A0A077ZMB6_TRITR Loading...

Pkinase domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZMB6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 161 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	H	33.3	Very low	40.2	Very low	217 Å²	217	104.7 Å²	104.7	100%	1.005	52%	0.515	S	S	*	.				0	-15.6	0	-96.6	-86.6	0	0	0	113.8
2	E	29.4	Very low	41.1	Very low	166 Å²	166	98.5 Å²	98.5	78%	0.776	48%	0.483	S	S	*	.			trans	-94.5	-28.8	-177.3	-73.8	-179.8	133.7	0	0	115.3	V4 C5	E2-V4 VanDerWaalsContact C-N 3.34Å; E2-V4 PolarHBondContact O-N 2.76Å; E2-C5 PolarHBondContact O-N 2.94Å
3	E	30.1	Very low	41.4	Very low	168 Å²	168	97.5 Å²	97.5	79%	0.785	50%	0.501	S	S	*	.	H	α-helix	trans	-67.3	-28.9	-166	-62.1	-177.7	169.5	0	0	114.9	I6	E3-I6 WeakPolarHBondContact O-CB 3.5Å
4	V	37.9	Very low	41.9	Very low	44 Å²	44	93.6 Å²	93.6	27%	0.267	50%	0.497	S	S	.	.	H	α-helix	trans	-87.9	-18.7	-177.7	153.4	0	0	0	0	113.8	E2 I6 S7 P143 I147	E2-V4 VanDerWaalsContact C-N 3.34Å; E2-V4 PolarHBondContact O-N 2.76Å; V4-I6 PolarHBondContact O-N 2.95Å; V4-S7 PolarHBondContact O-OG 2.89Å; V4-P143 HydrophobicContact CB-CB 3.63Å; V4-P143 HydrophobicContact CG1-CB 3.91Å; V4-P143 HydrophobicContact CG2-CB 3.26Å; V4-P143 HydrophobicContact CG2-CG 4.42Å; V4-I147 HydrophobicContact CB-CD1 3.99Å; V4-I147 HydrophobicContact CG1-CD1 3.21Å; V4-I147 HydrophobicContact CG1-CG1 3.6Å; V4-I147 HydrophobicContact CG2-CD1 3.66Å
5	C	36	Very low	42.7	Very low	81 Å²	81	100.1 Å²	100.1	55%	0.547	51%	0.512	S	S	.	.	H	α-helix	trans	-73	-20.8	170.1	-83.3	0	0	0	0	112.1	E2 Y8 K9	E2-C5 PolarHBondContact O-N 2.94Å; C5-Y8 PolarHBondContact O-N 3.5Å; C5-K9 PolarHBondContact O-N 2.74Å
6	I	39.3	Very low	43.8	Very low	39 Å²	39	97.4 Å²	97.4	20%	0.2	50%	0.499	C	S	.	.	H	α-helix	trans	-66.2	-38.6	179.8	-59.2	177.4	0	0	0	110.2	E3 V4 Y8 K9 V10 A35	E3-I6 WeakPolarHBondContact O-CB 3.5Å; V4-I6 PolarHBondContact O-N 2.95Å; I6-Y8 VanDerWaalsContact C-N 3.33Å; I6-Y8 PolarHBondContact O-N 2.93Å; I6-K9 PolarHBondContact O-N 3.33Å; I6-V10 HydrophobicContact CG2-CB 4.48Å; I6-V10 HydrophobicContact CG2-CG2 3.5Å; I6-V10 WeakPolarHBondContact O-CB 3.43Å; I6-V10 WeakPolarHBondContact O-CG2 3.4Å; I6-V10 PolarHBondContact O-N 2.71Å; I6-A35 HydrophobicContact CG2-CB 3.95Å; I6-A35 WeakPolarHBondContact CG2-O 3.4Å
7	S	47.4	Very low	45.2	Very low	45 Å²	45	96.8 Å²	96.8	32%	0.315	50%	0.497	S	S	.	.	H	α-helix	trans	-66.2	-33.4	-178.9	69.9	0	0	0	0	113	V4 I11	V4-S7 PolarHBondContact O-OG 2.89Å; S7-I11 VanDerWaalsContact O-CB 3.31Å; S7-I11 WeakPolarHBondContact O-CB 3.33Å; S7-I11 WeakPolarHBondContact O-CD1 3.11Å; S7-I11 WeakPolarHBondContact O-CG1 3.41Å
8	Y	46.1	Very low	47.1	Very low	142 Å²	142	91.4 Å²	91.4	56%	0.557	47%	0.469	S	S	*	.	H	α-helix	trans	-81.8	-43.6	176.9	-167.8	-97.7	0	0	0	111.8	C5 I6 H12	C5-Y8 PolarHBondContact O-N 3.5Å; I6-Y8 VanDerWaalsContact C-N 3.33Å; I6-Y8 PolarHBondContact O-N 2.93Å; Y8-H12 AromaticContact CD2-CD2 3.33Å; Y8-H12 WeakPolarHBondContact CD2-CD2 3.12Å; Y8-H12 AromaticContact CD2-NE2 3.65Å; Y8-H12 AromaticContact CE2-CD2 3.26Å; Y8-H12 WeakPolarHBondContact CE2-CD2 3.04Å; Y8-H12 AromaticContact CE2-NE2 3.36Å; Y8-H12 WeakPolarHBondContact CE2-NE2 3.3Å; Y8-H12 AromaticContact CG-CD2 3.77Å; Y8-H12 AromaticContact CZ-CD2 3.63Å; Y8-H12 WeakPolarHBondContact O-CB 3.3Å; Y8-H12 PolarHBondContact O-CD2 2.75Å; Y8-H12 VanDerWaalsContact O-CD2 3.22Å; Y8-H12 PolarHBondContact O-N 3.25Å
9	K	45.1	Very low	48.7	Very low	162 Å²	162	86.9 Å²	86.9	70%	0.704	45%	0.446	S	S	*	.	H	α-helix	trans	-68.7	-36.7	-179.5	-87.7	-178	174.6	-179.9	0	113.1	C5 I6 A13	C5-K9 PolarHBondContact O-N 2.74Å; I6-K9 PolarHBondContact O-N 3.33Å; K9-A13 VanDerWaalsContact O-CB 3.32Å; K9-A13 WeakPolarHBondContact O-CB 3.29Å; K9-A13 PolarHBondContact O-N 2.81Å
10	V	47.7	Very low	50.4	Low	58 Å²	58	83.3 Å²	83.3	35%	0.352	43%	0.427	S	S	.	.	H	α-helix	trans	-73.1	-34.3	179.7	172.7	0	0	0	0	111.8	I6 L37	I6-V10 HydrophobicContact CG2-CB 4.48Å; I6-V10 HydrophobicContact CG2-CG2 3.5Å; I6-V10 WeakPolarHBondContact O-CB 3.43Å; I6-V10 WeakPolarHBondContact O-CG2 3.4Å; I6-V10 PolarHBondContact O-N 2.71Å; V10-L37 HydrophobicContact CG1-CB 4.13Å
11	I	49.5	Very low	52	Low	30 Å²	30	79.5 Å²	79.5	15%	0.154	41%	0.408	C	S	.	.	H	α-helix	trans	-79.5	-32.4	-179.9	-61	178.8	0	0	0	111.1	S7 I22 L37 V91	S7-I11 VanDerWaalsContact O-CB 3.31Å; S7-I11 WeakPolarHBondContact O-CB 3.33Å; S7-I11 WeakPolarHBondContact O-CD1 3.11Å; S7-I11 WeakPolarHBondContact O-CG1 3.41Å; I11-I22 HydrophobicContact CD1-CD1 4.02Å; I11-I22 HydrophobicContact CD1-CG1 4.37Å; I11-I22 HydrophobicContact CD1-CG2 4.16Å; I11-I22 HydrophobicContact CG2-CD1 3.91Å; I11-L37 HydrophobicContact CD1-CD2 4.47Å; I11-L37 HydrophobicContact CG1-CD2 3.88Å; I11-L37 HydrophobicContact CG2-CD2 4.49Å; I11-V91 HydrophobicContact CD1-CG2 3.98Å
12	H	51.2	Low	54.6	Low	30 Å²	30	69.3 Å²	69.3	14%	0.139	36%	0.361	C	S	.	.	H	α-helix	trans	-103.8	6.5	-175.8	-64.5	-71.9	0	0	0	115	Y8 G14 W15	Y8-H12 AromaticContact CD2-CD2 3.33Å; Y8-H12 WeakPolarHBondContact CD2-CD2 3.12Å; Y8-H12 AromaticContact CD2-NE2 3.65Å; Y8-H12 AromaticContact CE2-CD2 3.26Å; Y8-H12 WeakPolarHBondContact CE2-CD2 3.04Å; Y8-H12 AromaticContact CE2-NE2 3.36Å; Y8-H12 WeakPolarHBondContact CE2-NE2 3.3Å; Y8-H12 AromaticContact CG-CD2 3.77Å; Y8-H12 AromaticContact CZ-CD2 3.63Å; Y8-H12 WeakPolarHBondContact O-CB 3.3Å; Y8-H12 PolarHBondContact O-CD2 2.75Å; Y8-H12 VanDerWaalsContact O-CD2 3.22Å; Y8-H12 PolarHBondContact O-N 3.25Å; H12-G14 PolarHBondContact O-N 2.96Å; H12-W15 PolarHBondContact O-NE1 2.72Å
13	A	45.3	Very low	57.4	Low	86 Å²	86	64.1 Å²	64.1	71%	0.711	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-9.9	176.5	0	0	0	0	0	114.4	K9	K9-A13 VanDerWaalsContact O-CB 3.32Å; K9-A13 WeakPolarHBondContact O-CB 3.29Å; K9-A13 PolarHBondContact O-N 2.81Å
14	G	48.4	Very low	60	Low	43 Å²	43	57.1 Å²	57.1	44%	0.443	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.4	73.4	170.6	0	0	0	0	0	111.6	H12 N16 N17	H12-G14 PolarHBondContact O-N 2.96Å; G14-N16 PolarHBondContact O-N 3.34Å; G14-N17 PolarHBondContact O-N 3.12Å
15	W	54	Low	62.3	Low	191 Å²	191	58.2 Å²	58.2	72%	0.723	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-42.3	5.7	-168.6	-85.1	60.4	0	0	0	120.1	H12	H12-W15 PolarHBondContact O-NE1 2.72Å
16	N	59.9	Low	64.8	Low	57 Å²	57	56.1 Å²	56.1	31%	0.305	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.7	-3.1	-175.9	-64.7	-24	0	0	0	114.4	G14 S45 F46 V47 R52	G14-N16 PolarHBondContact O-N 3.34Å; N16-S45 WeakPolarHBondContact O-CA 3.34Å; N16-F46 PolarHBondContact O-N 2.82Å; N16-V47 HydrophobicContact CB-CG2 4.01Å; N16-R52 PolarHBondContact OD1-NH1 2.84Å
17	N	68.5	Low	66.9	Low	86 Å²	86	56.6 Å²	56.6	46%	0.46	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	130.3	-175.1	-63.6	-22.1	0	0	0	112.4	G14 A44 L84	G14-N17 PolarHBondContact O-N 3.12Å; N17-A44 CarbonylContact C-O 3.5Å; N17-A44 VanDerWaalsContact CA-O 3.29Å; N17-A44 WeakPolarHBondContact CA-O 3.23Å; N17-L84 WeakPolarHBondContact O-CD2 3.49Å
18	F	79.1	Confident	68.4	Low	1 Å²	1	59 Å²	59	0%	0.004	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	121.4	165.9	-164.2	-138.2	0	0	0	108.8	R20 A43 A44 F46 L56 V74 Y82 D87	F18-R20 HydrophobicContact CB-CG 4.43Å; F18-R20 HydrophobicContact CD1-CB 4.47Å; F18-R20 HydrophobicContact CD1-CG 3.33Å; F18-R20 HydrophobicContact CE1-CB 4.28Å; F18-R20 HydrophobicContact CE1-CG 3.54Å; F18-R20 HydrophobicContact CG-CG 4.01Å; F18-R20 HydrophobicContact CZ-CG 4.44Å; F18-A43 CarbonylContact O-C 3.51Å; F18-A43 WeakPolarHBondContact O-CA 3.21Å; F18-A43 WeakPolarHBondContact O-CB 3.13Å; F18-A44 PolarHBondContact N-O 2.81Å; F18-A44 PolarHBondContact O-N 3.1Å; F18-F46 HydrophobicContact CB-CD2 4.35Å; F18-F46 HydrophobicContact CB-CE2 3.59Å; F18-F46 HydrophobicContact CB-CZ 4.24Å; F18-F46 HydrophobicContact CD2-CE2 4.38Å; F18-F46 HydrophobicContact CG-CE2 4.08Å; F18-F46 HydrophobicContact CG-CZ 4.34Å; F18-L56 HydrophobicContact CB-CD1 4.17Å; F18-L56 HydrophobicContact CD1-CD1 4.2Å; F18-V74 HydrophobicContact CZ-CG2 4.28Å; F18-Y82 AromaticContact CD1-CD2 3.92Å; F18-Y82 HydrophobicContact CD1-CD2 3.92Å; F18-Y82 AromaticContact CD1-CE2 3.42Å; F18-Y82 HydrophobicContact CD1-CE2 3.42Å; F18-Y82 VanDerWaalsContact CD1-CE2 3.42Å; F18-Y82 AromaticContact CE1-CD2 3.42Å; F18-Y82 HydrophobicContact CE1-CD2 3.42Å; F18-Y82 VanDerWaalsContact CE1-CD2 3.42Å; F18-Y82 AromaticContact CE1-CE2 3.13Å; F18-Y82 HydrophobicContact CE1-CE2 3.13Å; F18-Y82 AromaticContact CZ-CD2 3.87Å; F18-Y82 HydrophobicContact CZ-CD2 3.87Å; F18-Y82 HydrophobicContact CZ-CE2 4.05Å; F18-D87 HydrophobicContact CD2-CB 4.25Å; F18-D87 VanDerWaalsContact CD2-OD2 3.23Å; F18-D87 WeakPolarHBondContact CD2-OD2 3.49Å; F18-D87 HydrophobicContact CE2-CB 4.01Å; F18-D87 WeakPolarHBondContact CE2-OD1 3.32Å
19	S	77.5	Confident	69.9	Low	5 Å²	5	58.9 Å²	58.9	4%	0.035	32%	0.318	C	S	.	.			trans	-75.4	-41.3	-175.9	173.5	0	0	0	0	112.5	T21 D87	S19-T21 PolarHBondContact O-N 2.87Å; S19-T21 PolarHBondContact O-OG1 3.01Å; S19-D87 PolarHBondContact N-OD2 2.81Å
20	R	82.3	Confident	71.3	Confident	14 Å²	14	53.3 Å²	53.3	5%	0.053	30%	0.3	C	S	.	.	S	Bend	trans	63.7	-6.3	-178.4	-36.3	-159.1	-173.6	164.1	-38.2	115.8	F18 L42 D58 Y82 D87	F18-R20 HydrophobicContact CB-CG 4.43Å; F18-R20 HydrophobicContact CD1-CB 4.47Å; F18-R20 HydrophobicContact CD1-CG 3.33Å; F18-R20 HydrophobicContact CE1-CB 4.28Å; F18-R20 HydrophobicContact CE1-CG 3.54Å; F18-R20 HydrophobicContact CG-CG 4.01Å; F18-R20 HydrophobicContact CZ-CG 4.44Å; R20-L42 HydrophobicContact CB-CB 4.27Å; R20-L42 WeakPolarHBondContact CD-O 3.25Å; R20-L42 VanDerWaalsContact CG-O 3.3Å; R20-L42 WeakPolarHBondContact CG-O 3.19Å; R20-L42 PolarHBondContact NE-O 2.76Å; R20-L42 PolarHBondContact NH1-O 2.75Å; R20-D58 IonicContact CZ-OD1 2.81Å; R20-D58 IonicContact CZ-OD2 2.75Å; R20-D58 IonicContact NH1-OD2 2.72Å; R20-D58 PolarHBondContact NH1-OD2 2.92Å; R20-D58 IonicContact NH2-OD1 3.72Å; R20-D58 PolarHBondContact NH2-OD1 3.18Å; R20-D58 IonicContact NH2-OD2 3.82Å; R20-D58 PolarHBondContact NH2-OD2 3.41Å; R20-Y82 PolarHBondContact NH2-OH 2.7Å; R20-D87 PolarHBondContact N-OD1 3.24Å
21	T	84.6	Confident	72.9	Confident	5 Å²	5	57.2 Å²	57.2	3%	0.031	33%	0.329	C	S	.	.			trans	-134.5	24	-171.1	60.5	0	0	0	0	112.6	S19 R23 H26 G39 L42	S19-T21 PolarHBondContact O-N 2.87Å; S19-T21 PolarHBondContact O-OG1 3.01Å; T21-R23 PolarHBondContact O-N 2.89Å; T21-R23 VanDerWaalsContact O-N 3.1Å; T21-H26 PolarHBondContact O-ND1 3.23Å; T21-G39 PolarHBondContact OG1-O 3Å; T21-L42 HydrophobicContact CG2-CB 3.78Å; T21-L42 HydrophobicContact CG2-CD1 3.66Å; T21-L42 HydrophobicContact CG2-CG 4.05Å
22	I	86.6	Confident	74.3	Confident	3 Å²	3	59.8 Å²	59.8	2%	0.015	35%	0.35	C	S	.	.			trans	-68.2	111.7	177.3	-57	168.5	0	0	0	108.6	I11 L37 W69 D87 V91 T94	I11-I22 HydrophobicContact CD1-CD1 4.02Å; I11-I22 HydrophobicContact CD1-CG1 4.37Å; I11-I22 HydrophobicContact CD1-CG2 4.16Å; I11-I22 HydrophobicContact CG2-CD1 3.91Å; I22-L37 HydrophobicContact CG1-CD2 4.32Å; I22-W69 VanDerWaalsContact O-CD1 3.28Å; I22-D87 HydrophobicContact CD1-CB 3.53Å; I22-D87 VanDerWaalsContact CD1-CG 3.48Å; I22-V91 HydrophobicContact CD1-CG2 4.05Å; I22-V91 HydrophobicContact CG2-CG2 3.98Å; I22-T94 PolarHBondContact O-OG1 3.18Å
23	R	88.6	Confident	75.5	Confident	56 Å²	56	61 Å²	61	21%	0.211	37%	0.37	C	S	.	.	S	Bend	trans	-158.6	163.5	177.6	65.2	-176.6	-140.2	-170.8	5	111.2	T21 S25 H26 T65 W69 T94	T21-R23 PolarHBondContact O-N 2.89Å; T21-R23 VanDerWaalsContact O-N 3.1Å; R23-S25 VanDerWaalsContact C-N 3.31Å; R23-S25 VanDerWaalsContact CZ-OG 3.29Å; R23-S25 PolarHBondContact NE-OG 2.75Å; R23-S25 PolarHBondContact NH2-OG 2.64Å; R23-S25 PolarHBondContact O-N 3.28Å; R23-H26 HydrophobicContact CG-CB 4.3Å; R23-H26 PolarHBondContact O-N 3.23Å; R23-T65 PolarHBondContact NH1-O 3.22Å; R23-W69 HydrophobicContact CB-CD2 3.71Å; R23-W69 HydrophobicContact CB-CE3 4.42Å; R23-W69 HydrophobicContact CB-CG 3.88Å; R23-W69 HydrophobicContact CB-CZ2 3.84Å; R23-W69 VanDerWaalsContact CB-NE1 3.27Å; R23-T94 WeakPolarHBondContact CA-OG1 3.23Å
24	G	84.2	Confident	76.9	Confident	21 Å²	21	64 Å²	64	22%	0.216	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-54.4	-44.5	-175.5	0	0	0	0	0	113	H26 I27 E97	G24-H26 PolarHBondContact O-N 3.13Å; G24-I27 PolarHBondContact O-N 2.91Å; G24-E97 PolarHBondContact N-OE2 3.04Å
25	S	88	Confident	78.1	Confident	68 Å²	68	63.1 Å²	63.1	48%	0.476	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-67.9	-7.3	179.8	87.3	0	0	0	0	115	R23	R23-S25 VanDerWaalsContact C-N 3.31Å; R23-S25 VanDerWaalsContact CZ-OG 3.29Å; R23-S25 PolarHBondContact NE-OG 2.75Å; R23-S25 PolarHBondContact NH2-OG 2.64Å; R23-S25 PolarHBondContact O-N 3.28Å
26	H	86.8	Confident	79.1	Confident	36 Å²	36	57.2 Å²	57.2	17%	0.167	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-105.3	0.4	175.7	-70.7	165.5	0	0	0	112.6	T21 R23 G24 L37 S38	T21-H26 PolarHBondContact O-ND1 3.23Å; R23-H26 HydrophobicContact CG-CB 4.3Å; R23-H26 PolarHBondContact O-N 3.23Å; G24-H26 PolarHBondContact O-N 3.13Å; H26-L37 HydrophobicContact CB-CD1 4.21Å; H26-L37 CarbonylContact O-C 3.58Å; H26-S38 WeakPolarHBondContact CA-OG 3.43Å; H26-S38 PolarHBondContact O-N 2.84Å; H26-S38 PolarHBondContact O-OG 2.96Å
27	I	84.5	Confident	80.1	Confident	50 Å²	50	55.4 Å²	55.4	26%	0.256	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	109.8	172	-60.5	173.2	0	0	0	107.4	G24 A35 T94 M98	G24-I27 PolarHBondContact O-N 2.91Å; I27-A35 HydrophobicContact CG2-CB 4.07Å; I27-T94 HydrophobicContact CD1-CG2 3.7Å; I27-M98 HydrophobicContact CD1-SD 3.97Å
28	L	78.1	Confident	80.7	Confident	96 Å²	96	52.6 Å²	52.6	50%	0.503	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	139.2	176.6	-56.4	-179.8	0	0	0	109.4	A35 C36	L28-A35 CarbonylContact O-C 3.57Å; L28-A35 VanDerWaalsContact O-CA 3.29Å; L28-A35 WeakPolarHBondContact O-CA 3.15Å; L28-C36 PolarHBondContact N-O 3.36Å; L28-C36 PolarHBondContact O-N 2.7Å
29	L	79	Confident	80.8	Confident	139 Å²	139	53.7 Å²	53.7	73%	0.728	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.3	128.5	175.5	-60.7	177.3	0	0	0	109.4	A35	L29-A35 HydrophobicContact CD2-CB 3.71Å
30	S	73.3	Confident	81.2	Confident	45 Å²	45	58.9 Å²	58.9	32%	0.315	35%	0.351	S	S	.	.			trans	-80.1	157.9	170.5	63.9	0	0	0	0	110.9	S32 G33 Y34	S30-S32 PolarHBondContact O-N 2.65Å; S30-S32 PolarHBondContact OG-OG 3.42Å; S30-G33 PolarHBondContact O-N 3.11Å; S30-Y34 PolarHBondContact N-O 3.17Å; S30-Y34 WeakPolarHBondContact OG-CA 3.28Å; S30-Y34 WeakPolarHBondContact OG-CB 3.31Å; S30-Y34 PolarHBondContact OG-N 3.31Å; S30-Y34 PolarHBondContact OG-O 3.5Å
31	S	81	Confident	81.3	Confident	139 Å²	139	67.5 Å²	67.5	97%	0.972	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-21.4	174.7	52.4	0	0	0	0	113.5	G33	S31-G33 VanDerWaalsContact C-N 3.32Å
32	S	80.5	Confident	81.3	Confident	84 Å²	84	68 Å²	68	59%	0.587	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	4.6	174.9	43.5	0	0	0	0	114	S30 Y34	S30-S32 PolarHBondContact O-N 2.65Å; S30-S32 PolarHBondContact OG-OG 3.42Å; S32-Y34 VanDerWaalsContact OG-CD2 3.23Å; S32-Y34 WeakPolarHBondContact OG-CD2 3.37Å
33	G	75.7	Confident	81.2	Confident	55 Å²	55	69.5 Å²	69.5	57%	0.567	40%	0.399	S	S	*	.	S	Bend	trans	87.3	2.2	175.3	0	0	0	0	0	115.3	S30 S31	S30-G33 PolarHBondContact O-N 3.11Å; S31-G33 VanDerWaalsContact C-N 3.32Å
34	Y	74.2	Confident	81.1	Confident	151 Å²	151	67.8 Å²	67.8	59%	0.592	40%	0.397	S	S	*	.			trans	-77	139.7	172.5	-56.6	-77.8	0	0	0	111.6	S30 S32	S30-Y34 PolarHBondContact N-O 3.17Å; S30-Y34 WeakPolarHBondContact OG-CA 3.28Å; S30-Y34 WeakPolarHBondContact OG-CB 3.31Å; S30-Y34 PolarHBondContact OG-N 3.31Å; S30-Y34 PolarHBondContact OG-O 3.5Å; S32-Y34 VanDerWaalsContact OG-CD2 3.23Å; S32-Y34 WeakPolarHBondContact OG-CD2 3.37Å
35	A	73.3	Confident	81	Confident	24 Å²	24	69 Å²	69	20%	0.198	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	134.2	170.4	0	0	0	0	0	111.2	I6 I27 L28 L29	I6-A35 HydrophobicContact CG2-CB 3.95Å; I6-A35 WeakPolarHBondContact CG2-O 3.4Å; I27-A35 HydrophobicContact CG2-CB 4.07Å; L28-A35 CarbonylContact O-C 3.57Å; L28-A35 VanDerWaalsContact O-CA 3.29Å; L28-A35 WeakPolarHBondContact O-CA 3.15Å; L29-A35 HydrophobicContact CD2-CB 3.71Å
36	C	74.9	Confident	80.7	Confident	67 Å²	67	66 Å²	66	45%	0.453	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	137.5	177.4	-66.3	0	0	0	0	109.9	L28	L28-C36 PolarHBondContact N-O 3.36Å; L28-C36 PolarHBondContact O-N 2.7Å
37	L	81	Confident	80.4	Confident	18 Å²	18	67.1 Å²	67.1	9%	0.094	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	140.6	171.3	-176.6	66.5	0	0	0	109.7	V10 I11 I22 H26 F40	V10-L37 HydrophobicContact CG1-CB 4.13Å; I11-L37 HydrophobicContact CD1-CD2 4.47Å; I11-L37 HydrophobicContact CG1-CD2 3.88Å; I11-L37 HydrophobicContact CG2-CD2 4.49Å; I22-L37 HydrophobicContact CG1-CD2 4.32Å; H26-L37 HydrophobicContact CB-CD1 4.21Å; H26-L37 CarbonylContact O-C 3.58Å; L37-F40 HydrophobicContact CB-CZ 3.96Å; L37-F40 HydrophobicContact CD2-CE1 3.71Å; L37-F40 HydrophobicContact CD2-CZ 3.88Å; L37-F40 HydrophobicContact CG-CE1 4.12Å; L37-F40 HydrophobicContact CG-CZ 3.84Å; L37-F40 WeakPolarHBondContact O-CE2 3.24Å; L37-F40 WeakPolarHBondContact O-CZ 3.33Å
38	S	81.3	Confident	79.9	Confident	28 Å²	28	69 Å²	69	20%	0.196	40%	0.4	C	S	.	.			trans	-126.4	-170.6	172.7	66.2	0	0	0	0	110.1	H26	H26-S38 WeakPolarHBondContact CA-OG 3.43Å; H26-S38 PolarHBondContact O-N 2.84Å; H26-S38 PolarHBondContact O-OG 2.96Å
39	G	82.3	Confident	79.6	Confident	24 Å²	24	72.8 Å²	72.8	25%	0.247	42%	0.415	C	S	.	.			trans	82.7	15.4	173.4	0	0	0	0	0	115.7	T21 R41	T21-G39 PolarHBondContact OG1-O 3Å; G39-R41 PolarHBondContact O-N 3.27Å
40	F	84.7	Confident	79.3	Confident	114 Å²	114	72 Å²	72	50%	0.5	42%	0.421	S	S	.	.	G	3₁₀ helix	trans	-64.4	10.9	-177.9	-56.9	-75.3	0	0	0	116.3	L37 L42 A43	L37-F40 HydrophobicContact CB-CZ 3.96Å; L37-F40 HydrophobicContact CD2-CE1 3.71Å; L37-F40 HydrophobicContact CD2-CZ 3.88Å; L37-F40 HydrophobicContact CG-CE1 4.12Å; L37-F40 HydrophobicContact CG-CZ 3.84Å; L37-F40 WeakPolarHBondContact O-CE2 3.24Å; L37-F40 WeakPolarHBondContact O-CZ 3.33Å; F40-L42 PolarHBondContact O-N 3.34Å; F40-L42 VanDerWaalsContact O-N 3.12Å; F40-A43 HydrophobicContact CB-CB 4.02Å; F40-A43 HydrophobicContact CD1-CB 4.22Å; F40-A43 VanDerWaalsContact O-CB 3.3Å; F40-A43 WeakPolarHBondContact O-CB 3.47Å; F40-A43 PolarHBondContact O-N 2.96Å
41	R	84	Confident	79.6	Confident	195 Å²	195	76.5 Å²	76.5	74%	0.736	44%	0.438	S	S	*	.	G	3₁₀ helix	trans	-56.8	-29.6	178.7	-177.5	172.4	66.6	172.9	2	112.8	G39	G39-R41 PolarHBondContact O-N 3.27Å
42	L	84.7	Confident	79.5	Confident	14 Å²	14	77.2 Å²	77.2	7%	0.073	42%	0.419	C	S	.	.	G	3₁₀ helix	trans	-106.4	5.2	-179.8	-59	174.5	0	0	0	112.7	R20 T21 F40 N62 F63	R20-L42 HydrophobicContact CB-CB 4.27Å; R20-L42 WeakPolarHBondContact CD-O 3.25Å; R20-L42 VanDerWaalsContact CG-O 3.3Å; R20-L42 WeakPolarHBondContact CG-O 3.19Å; R20-L42 PolarHBondContact NE-O 2.76Å; R20-L42 PolarHBondContact NH1-O 2.75Å; T21-L42 HydrophobicContact CG2-CB 3.78Å; T21-L42 HydrophobicContact CG2-CD1 3.66Å; T21-L42 HydrophobicContact CG2-CG 4.05Å; F40-L42 PolarHBondContact O-N 3.34Å; F40-L42 VanDerWaalsContact O-N 3.12Å; L42-N62 HydrophobicContact CD1-CB 4.16Å; L42-N62 HydrophobicContact CD2-CB 3.55Å; L42-N62 HydrophobicContact CG-CB 4.45Å; L42-F63 HydrophobicContact CB-CD1 4.48Å; L42-F63 HydrophobicContact CB-CE1 3.98Å; L42-F63 HydrophobicContact CD1-CD1 3.66Å; L42-F63 HydrophobicContact CD1-CE1 4.01Å; L42-F63 HydrophobicContact CD2-CD1 4.25Å; L42-F63 HydrophobicContact CD2-CE1 4.08Å; L42-F63 HydrophobicContact CG-CD1 4.34Å; L42-F63 HydrophobicContact CG-CE1 4.23Å
43	A	85.2	Confident	79.7	Confident	36 Å²	36	76.1 Å²	76.1	30%	0.298	41%	0.406	S	S	.	.			trans	-63.4	145.3	-179.1	0	0	0	0	0	110.1	F18 F40	F18-A43 CarbonylContact O-C 3.51Å; F18-A43 WeakPolarHBondContact O-CA 3.21Å; F18-A43 WeakPolarHBondContact O-CB 3.13Å; F40-A43 HydrophobicContact CB-CB 4.02Å; F40-A43 HydrophobicContact CD1-CB 4.22Å; F40-A43 VanDerWaalsContact O-CB 3.3Å; F40-A43 WeakPolarHBondContact O-CB 3.47Å; F40-A43 PolarHBondContact O-N 2.96Å
44	A	85.8	Confident	80.1	Confident	20 Å²	20	84.5 Å²	84.5	17%	0.165	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	152	175	0	0	0	0	0	112	N17 F18 L56	N17-A44 CarbonylContact C-O 3.5Å; N17-A44 VanDerWaalsContact CA-O 3.29Å; N17-A44 WeakPolarHBondContact CA-O 3.23Å; F18-A44 PolarHBondContact N-O 2.81Å; F18-A44 PolarHBondContact O-N 3.1Å; A44-L56 HydrophobicContact CB-CD1 4.04Å
45	S	82.3	Confident	80.6	Confident	46 Å²	46	78.9 Å²	78.9	32%	0.322	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	135.4	177	176.5	0	0	0	0	109.9	N16 V47	N16-S45 WeakPolarHBondContact O-CA 3.34Å; S45-V47 PolarHBondContact O-N 2.77Å; S45-V47 WeakPolarHBondContact OG-CA 3.4Å; S45-V47 WeakPolarHBondContact OG-CB 3.31Å; S45-V47 PolarHBondContact OG-N 3.02Å; S45-V47 PolarHBondContact OG-O 2.81Å
46	F	82.3	Confident	81.4	Confident	4 Å²	4	78.4 Å²	78.4	2%	0.018	40%	0.397	C	S	.	.	S	Bend	trans	-77.4	9.6	162.9	-74	-84.8	0	0	0	112.1	N16 F18 R52 L53 L56 L84	N16-F46 PolarHBondContact O-N 2.82Å; F18-F46 HydrophobicContact CB-CD2 4.35Å; F18-F46 HydrophobicContact CB-CE2 3.59Å; F18-F46 HydrophobicContact CB-CZ 4.24Å; F18-F46 HydrophobicContact CD2-CE2 4.38Å; F18-F46 HydrophobicContact CG-CE2 4.08Å; F18-F46 HydrophobicContact CG-CZ 4.34Å; F46-R52 CarbonylContact O-C 3.5Å; F46-R52 WeakPolarHBondContact O-CA 3.32Å; F46-L53 HydrophobicContact CD1-CB 4.35Å; F46-L53 PolarHBondContact O-N 2.81Å; F46-L56 HydrophobicContact CD1-CD1 4.12Å; F46-L56 HydrophobicContact CD1-CG 3.87Å; F46-L56 HydrophobicContact CD2-CD1 4.35Å; F46-L56 HydrophobicContact CE1-CB 4.28Å; F46-L56 HydrophobicContact CE1-CD1 3.68Å; F46-L56 HydrophobicContact CE1-CG 3.49Å; F46-L56 VanDerWaalsContact CE1-CG 3.49Å; F46-L56 HydrophobicContact CE2-CD1 3.96Å; F46-L56 HydrophobicContact CG-CD1 4.43Å; F46-L56 HydrophobicContact CZ-CD1 3.57Å; F46-L56 HydrophobicContact CZ-CG 3.91Å; F46-L84 HydrophobicContact CD2-CD1 4.3Å; F46-L84 HydrophobicContact CD2-CD2 3.65Å; F46-L84 HydrophobicContact CD2-CG 3.68Å; F46-L84 HydrophobicContact CE2-CB 4.34Å; F46-L84 HydrophobicContact CE2-CD1 4.46Å; F46-L84 HydrophobicContact CE2-CD2 3.37Å; F46-L84 HydrophobicContact CE2-CG 3.39Å; F46-L84 HydrophobicContact CZ-CG 4.23Å
47	V	80.7	Confident	82.1	Confident	60 Å²	60	80.1 Å²	80.1	36%	0.364	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	117.8	174.1	-178.6	0	0	0	0	108	N16 S45 Q51	N16-V47 HydrophobicContact CB-CG2 4.01Å; S45-V47 PolarHBondContact O-N 2.77Å; S45-V47 WeakPolarHBondContact OG-CA 3.4Å; S45-V47 WeakPolarHBondContact OG-CB 3.31Å; S45-V47 PolarHBondContact OG-N 3.02Å; S45-V47 PolarHBondContact OG-O 2.81Å; V47-Q51 WeakPolarHBondContact CA-O 3.01Å
48	N	74.6	Confident	82.5	Confident	90 Å²	90	82.4 Å²	82.4	48%	0.481	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	129	172.6	-173.3	21.7	0	0	0	109.4	S50 Q51 L53	N48-S50 VanDerWaalsContact C-N 3.27Å; N48-S50 PolarHBondContact O-N 3.07Å; N48-Q51 PolarHBondContact N-O 2.87Å; N48-Q51 PolarHBondContact O-N 3.23Å; N48-L53 HydrophobicContact CB-CD1 4.26Å; N48-L53 HydrophobicContact CB-CG 4.49Å
49	E	70.8	Confident	82.9	Confident	175 Å²	175	85 Å²	85	82%	0.818	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	37.6	48.5	168.1	-68.5	176.3	179.2	0	0	115.5
50	S	72.9	Confident	83.2	Confident	122 Å²	122	87 Å²	87	85%	0.853	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.3	-1.3	-177.6	78.4	0	0	0	0	118.7	N48	N48-S50 VanDerWaalsContact C-N 3.27Å; N48-S50 PolarHBondContact O-N 3.07Å
51	Q	79	Confident	83.3	Confident	140 Å²	140	85.4 Å²	85.4	65%	0.654	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.1	137.2	175.6	-62.8	-171.5	7.6	0	0	112.5	V47 N48 L53	V47-Q51 WeakPolarHBondContact CA-O 3.01Å; N48-Q51 PolarHBondContact N-O 2.87Å; N48-Q51 PolarHBondContact O-N 3.23Å; Q51-L53 PolarHBondContact O-N 3.01Å
52	R	80.4	Confident	83.5	Confident	154 Å²	154	79.4 Å²	79.4	58%	0.581	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.4	108.4	169.7	-171.9	-177.6	179	94.9	5	109.2	N16 F46	N16-R52 PolarHBondContact OD1-NH1 2.84Å; F46-R52 CarbonylContact O-C 3.5Å; F46-R52 WeakPolarHBondContact O-CA 3.32Å
53	L	83.3	Confident	83.7	Confident	61 Å²	61	78.8 Å²	78.8	32%	0.319	41%	0.406	S	S	.	.			trans	-64.8	137.8	170.2	-58.3	177.9	0	0	0	110	F46 N48 Q51 L56	F46-L53 HydrophobicContact CD1-CB 4.35Å; F46-L53 PolarHBondContact O-N 2.81Å; N48-L53 HydrophobicContact CB-CD1 4.26Å; N48-L53 HydrophobicContact CB-CG 4.49Å; Q51-L53 PolarHBondContact O-N 3.01Å; L53-L56 HydrophobicContact CD1-CD2 3.86Å
54	R	83.9	Confident	83.8	Confident	232 Å²	232	84.4 Å²	84.4	88%	0.875	42%	0.424	S	S	*	.	S	Bend	trans	-82.9	-33.1	174.9	-69.5	-172.6	-71.2	-177	-2.8	112.2
55	S	86.3	Confident	83.9	Confident	32 Å²	32	87.5 Å²	87.5	22%	0.224	44%	0.441	C	S	.	.			trans	-146.1	158	-179.5	49.3	0	0	0	0	110	H57 A80 Y82	S55-H57 PolarHBondContact OG-NE2 3.2Å; S55-A80 VanDerWaalsContact CB-O 3.25Å; S55-A80 WeakPolarHBondContact CB-O 3.39Å; S55-A80 PolarHBondContact OG-O 3.08Å; S55-Y82 CarbonylContact C-O 3.43Å; S55-Y82 VanDerWaalsContact CA-O 3.24Å; S55-Y82 WeakPolarHBondContact CA-O 3.12Å; S55-Y82 WeakPolarHBondContact CB-O 3.36Å
56	L	89	Confident	84.3	Confident	14 Å²	14	85.3 Å²	85.3	7%	0.073	43%	0.426	C	S	.	.	B	Isolated β-bridge	trans	-109.7	152.7	173	-67.7	167.7	0	0	0	108.8	F18 A44 F46 L53 G81 Y82	F18-L56 HydrophobicContact CB-CD1 4.17Å; F18-L56 HydrophobicContact CD1-CD1 4.2Å; A44-L56 HydrophobicContact CB-CD1 4.04Å; F46-L56 HydrophobicContact CD1-CD1 4.12Å; F46-L56 HydrophobicContact CD1-CG 3.87Å; F46-L56 HydrophobicContact CD2-CD1 4.35Å; F46-L56 HydrophobicContact CE1-CB 4.28Å; F46-L56 HydrophobicContact CE1-CD1 3.68Å; F46-L56 HydrophobicContact CE1-CG 3.49Å; F46-L56 VanDerWaalsContact CE1-CG 3.49Å; F46-L56 HydrophobicContact CE2-CD1 3.96Å; F46-L56 HydrophobicContact CG-CD1 4.43Å; F46-L56 HydrophobicContact CZ-CD1 3.57Å; F46-L56 HydrophobicContact CZ-CG 3.91Å; L53-L56 HydrophobicContact CD1-CD2 3.86Å; L56-G81 CarbonylContact O-C 3.53Å; L56-G81 WeakPolarHBondContact O-CA 3.32Å; L56-Y82 HydrophobicContact CB-CD2 4.09Å; L56-Y82 HydrophobicContact CB-CE1 4.34Å; L56-Y82 HydrophobicContact CB-CE2 3.5Å; L56-Y82 HydrophobicContact CD1-CE2 4.12Å; L56-Y82 HydrophobicContact CG-CE2 4.42Å; L56-Y82 PolarHBondContact N-O 3.47Å; L56-Y82 WeakPolarHBondContact O-CD1 3.33Å; L56-Y82 PolarHBondContact O-N 3.26Å
57	H	90.4	Very high	84.8	Confident	103 Å²	103	86.6 Å²	86.6	48%	0.477	43%	0.433	S	S	.	.			trans	-130.1	1.6	-176	-60.4	-83.8	0	0	0	112.6	S55 Q77 P79 G81	S55-H57 PolarHBondContact OG-NE2 3.2Å; H57-Q77 PolarHBondContact O-OE1 3.11Å; H57-P79 PolarHBondContact CE1-O 2.87Å; H57-G81 VanDerWaalsContact CE1-CA 3.4Å; H57-G81 WeakPolarHBondContact CE1-CA 3.46Å; H57-G81 PolarHBondContact CE1-N 2.94Å; H57-G81 VanDerWaalsContact CE1-N 3.31Å; H57-G81 WeakPolarHBondContact ND1-CA 3.29Å
58	D	89.5	Confident	85.5	Confident	67 Å²	67	85.4 Å²	85.4	36%	0.358	42%	0.424	S	S	.	.			trans	-79.7	145.9	180	62.3	-56.4	0	0	0	111.6	R20 Y82	R20-D58 IonicContact CZ-OD1 2.81Å; R20-D58 IonicContact CZ-OD2 2.75Å; R20-D58 IonicContact NH1-OD2 2.72Å; R20-D58 PolarHBondContact NH1-OD2 2.92Å; R20-D58 IonicContact NH2-OD1 3.72Å; R20-D58 PolarHBondContact NH2-OD1 3.18Å; R20-D58 IonicContact NH2-OD2 3.82Å; R20-D58 PolarHBondContact NH2-OD2 3.41Å; D58-Y82 VanDerWaalsContact O-CE1 3.31Å; D58-Y82 WeakPolarHBondContact O-CE1 3.17Å; D58-Y82 PolarHBondContact O-OH 2.99Å; D58-Y82 PolarHBondContact OD1-OH 3.18Å
59	F	88.9	Confident	86.4	Confident	81 Å²	81	82.2 Å²	82.2	36%	0.355	41%	0.405	S	S	.	.			trans	-139.7	100.2	173.3	-167.4	-87.8	0	0	0	109.4	F63 L67 L70 V74 L75 Q77	F59-F63 HydrophobicContact CD1-CD2 4.49Å; F59-F63 AromaticContact CD2-CD2 3.66Å; F59-F63 HydrophobicContact CD2-CD2 3.66Å; F59-F63 HydrophobicContact CD2-CE2 4.19Å; F59-F63 HydrophobicContact CE1-CB 4.36Å; F59-F63 HydrophobicContact CE2-CB 4.4Å; F59-F63 AromaticContact CE2-CD2 3.83Å; F59-F63 HydrophobicContact CE2-CD2 3.83Å; F59-F63 HydrophobicContact CG-CD2 4.02Å; F59-F63 HydrophobicContact CG-CE2 4.49Å; F59-F63 HydrophobicContact CZ-CB 4.13Å; F59-F63 HydrophobicContact CZ-CD2 4.32Å; F59-L67 HydrophobicContact CZ-CD2 4.01Å; F59-L70 HydrophobicContact CE2-CD1 4.08Å; F59-V74 HydrophobicContact CD2-CG1 4.31Å; F59-V74 HydrophobicContact CE2-CG1 4.35Å; F59-L75 HydrophobicContact CE2-CD2 4.25Å; F59-L75 HydrophobicContact CZ-CD2 4.4Å; F59-Q77 HydrophobicContact CB-CG 4.39Å; F59-Q77 HydrophobicContact CD2-CG 4.34Å; F59-Q77 HydrophobicContact CG-CG 4.46Å
60	D	87.7	Confident	87.4	Confident	66 Å²	66	73.9 Å²	73.9	35%	0.353	37%	0.366	S	S	.	.			trans	-82.7	144.5	-176.2	-170.9	-75.7	0	0	0	111.2	N62 F63	D60-N62 PolarHBondContact O-N 3.04Å; D60-N62 VanDerWaalsContact O-N 3.13Å; D60-N62 WeakPolarHBondContact OD1-CB 3.41Å; D60-N62 PolarHBondContact OD1-N 3.12Å; D60-N62 PolarHBondContact OD1-ND2 2.89Å; D60-F63 HydrophobicContact CB-CD1 3.93Å; D60-F63 HydrophobicContact CB-CE1 3.72Å; D60-F63 HydrophobicContact CB-CZ 4.13Å; D60-F63 WeakPolarHBondContact O-CB 3.14Å; D60-F63 VanDerWaalsContact O-CG 3.28Å; D60-F63 WeakPolarHBondContact O-CG 3.33Å; D60-F63 PolarHBondContact O-N 3.18Å
61	S	87.5	Confident	88.3	Confident	81 Å²	81	68.1 Å²	68.1	57%	0.566	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-57.4	-26.5	177.1	69.5	0	0	0	0	114.2	F63 K64	S61-F63 PolarHBondContact O-N 3Å; S61-K64 WeakPolarHBondContact O-CB 3.23Å; S61-K64 VanDerWaalsContact O-CG 3.23Å; S61-K64 WeakPolarHBondContact O-CG 3.49Å; S61-K64 PolarHBondContact O-N 3.34Å
62	N	87.8	Confident	88.9	Confident	70 Å²	70	62.2 Å²	62.2	37%	0.374	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-65.6	-15.5	174.4	-68.5	-64.1	0	0	0	112.5	L42 D60 K64 T65	L42-N62 HydrophobicContact CD1-CB 4.16Å; L42-N62 HydrophobicContact CD2-CB 3.55Å; L42-N62 HydrophobicContact CG-CB 4.45Å; D60-N62 PolarHBondContact O-N 3.04Å; D60-N62 VanDerWaalsContact O-N 3.13Å; D60-N62 WeakPolarHBondContact OD1-CB 3.41Å; D60-N62 PolarHBondContact OD1-N 3.12Å; D60-N62 PolarHBondContact OD1-ND2 2.89Å; N62-K64 PolarHBondContact O-N 3.26Å; N62-T65 PolarHBondContact O-N 3.11Å; N62-T65 PolarHBondContact O-OG1 2.86Å
63	F	89.1	Confident	89.4	Confident	1 Å²	1	57 Å²	57	0%	0.004	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-68.2	-15.7	176.9	-69.5	8.8	0	0	0	112.4	L42 F59 D60 S61 T65 S66 L67 L70	L42-F63 HydrophobicContact CB-CD1 4.48Å; L42-F63 HydrophobicContact CB-CE1 3.98Å; L42-F63 HydrophobicContact CD1-CD1 3.66Å; L42-F63 HydrophobicContact CD1-CE1 4.01Å; L42-F63 HydrophobicContact CD2-CD1 4.25Å; L42-F63 HydrophobicContact CD2-CE1 4.08Å; L42-F63 HydrophobicContact CG-CD1 4.34Å; L42-F63 HydrophobicContact CG-CE1 4.23Å; F59-F63 HydrophobicContact CD1-CD2 4.49Å; F59-F63 AromaticContact CD2-CD2 3.66Å; F59-F63 HydrophobicContact CD2-CD2 3.66Å; F59-F63 HydrophobicContact CD2-CE2 4.19Å; F59-F63 HydrophobicContact CE1-CB 4.36Å; F59-F63 HydrophobicContact CE2-CB 4.4Å; F59-F63 AromaticContact CE2-CD2 3.83Å; F59-F63 HydrophobicContact CE2-CD2 3.83Å; F59-F63 HydrophobicContact CG-CD2 4.02Å; F59-F63 HydrophobicContact CG-CE2 4.49Å; F59-F63 HydrophobicContact CZ-CB 4.13Å; F59-F63 HydrophobicContact CZ-CD2 4.32Å; D60-F63 HydrophobicContact CB-CD1 3.93Å; D60-F63 HydrophobicContact CB-CE1 3.72Å; D60-F63 HydrophobicContact CB-CZ 4.13Å; D60-F63 WeakPolarHBondContact O-CB 3.14Å; D60-F63 VanDerWaalsContact O-CG 3.28Å; D60-F63 WeakPolarHBondContact O-CG 3.33Å; D60-F63 PolarHBondContact O-N 3.18Å; S61-F63 PolarHBondContact O-N 3Å; F63-T65 PolarHBondContact O-N 2.96Å; F63-T65 VanDerWaalsContact O-N 3.11Å; F63-S66 CarbonylContact O-C 3.6Å; F63-S66 WeakPolarHBondContact O-CA 3.49Å; F63-S66 PolarHBondContact O-N 2.99Å; F63-L67 PolarHBondContact O-N 3.21Å; F63-L70 HydrophobicContact CB-CD1 4.02Å; F63-L70 HydrophobicContact CD2-CD1 4.16Å; F63-L70 HydrophobicContact CG-CD1 4.38Å
64	K	87.6	Confident	89.8	Confident	154 Å²	154	54 Å²	54	67%	0.67	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-51.9	-33.9	176.1	-73.9	176.7	-177.2	-178.4	0	112.8	S61 N62 S66 L67	S61-K64 WeakPolarHBondContact O-CB 3.23Å; S61-K64 VanDerWaalsContact O-CG 3.23Å; S61-K64 WeakPolarHBondContact O-CG 3.49Å; S61-K64 PolarHBondContact O-N 3.34Å; N62-K64 PolarHBondContact O-N 3.26Å; K64-S66 PolarHBondContact O-N 3.07Å; K64-L67 WeakPolarHBondContact O-CG 3.42Å
65	T	88.3	Confident	90.2	Very high	84 Å²	84	44.3 Å²	44.3	52%	0.515	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-76.7	-7.6	178.7	62.5	0	0	0	0	114.1	R23 N62 F63	R23-T65 PolarHBondContact NH1-O 3.22Å; N62-T65 PolarHBondContact O-N 3.11Å; N62-T65 PolarHBondContact O-OG1 2.86Å; F63-T65 PolarHBondContact O-N 2.96Å; F63-T65 VanDerWaalsContact O-N 3.11Å
66	S	90.5	Very high	90.5	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.007	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-124.2	6.2	-173.2	-59.1	0	0	0	0	113.3	F63 K64 L68 W69 L70	F63-S66 CarbonylContact O-C 3.6Å; F63-S66 WeakPolarHBondContact O-CA 3.49Å; F63-S66 PolarHBondContact O-N 2.99Å; K64-S66 PolarHBondContact O-N 3.07Å; S66-L68 PolarHBondContact O-N 2.91Å; S66-W69 PolarHBondContact O-N 2.8Å; S66-L70 PolarHBondContact O-N 2.97Å
67	L	93.6	Very high	90.6	Very high	31 Å²	31	48.5 Å²	48.5	16%	0.162	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-35	-173.2	-66.8	175.9	0	0	0	114.3	F59 F63 K64 W69 L70 L75 M113 K117	F59-L67 HydrophobicContact CZ-CD2 4.01Å; F63-L67 PolarHBondContact O-N 3.21Å; K64-L67 WeakPolarHBondContact O-CG 3.42Å; L67-W69 VanDerWaalsContact C-N 3.29Å; L67-W69 PolarHBondContact O-N 2.81Å; L67-L70 HydrophobicContact CD2-CD1 4.32Å; L67-L70 PolarHBondContact O-N 3.39Å; L67-L75 HydrophobicContact CD2-CD2 3.72Å; L67-M113 HydrophobicContact CB-CE 3.83Å; L67-K117 PolarHBondContact O-NZ 3.25Å
68	L	94	Very high	90.6	Very high	35 Å²	35	49.1 Å²	49.1	18%	0.183	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-34.3	179.7	-58.1	-178.3	0	0	0	112.1	S66 P103 F105 A106 M113 K117	S66-L68 PolarHBondContact O-N 2.91Å; L68-P103 HydrophobicContact CD1-CB 4.28Å; L68-P103 HydrophobicContact CD1-CG 3.66Å; L68-F105 HydrophobicContact CD2-CB 4.18Å; L68-A106 HydrophobicContact CD1-CB 4.29Å; L68-M113 HydrophobicContact CD2-CG 4.02Å; L68-K117 PolarHBondContact O-NZ 3.44Å
69	W	93.4	Very high	90.5	Very high	22 Å²	22	51.8 Å²	51.8	8%	0.083	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-21.3	-179.4	-59.6	-98.3	0	0	0	113.3	I22 R23 S66 L67 Y89 S90 I93 E97 P103	I22-W69 VanDerWaalsContact O-CD1 3.28Å; R23-W69 HydrophobicContact CB-CD2 3.71Å; R23-W69 HydrophobicContact CB-CE3 4.42Å; R23-W69 HydrophobicContact CB-CG 3.88Å; R23-W69 HydrophobicContact CB-CZ2 3.84Å; R23-W69 VanDerWaalsContact CB-NE1 3.27Å; S66-W69 PolarHBondContact O-N 2.8Å; L67-W69 VanDerWaalsContact C-N 3.29Å; L67-W69 PolarHBondContact O-N 2.81Å; W69-Y89 VanDerWaalsContact O-CD1 3.26Å; W69-Y89 WeakPolarHBondContact O-CD1 3.5Å; W69-S90 WeakPolarHBondContact O-CA 3.26Å; W69-S90 PolarHBondContact O-OG 3.41Å; W69-I93 HydrophobicContact CB-CG2 4.37Å; W69-I93 VanDerWaalsContact CD1-CG2 3.43Å; W69-I93 HydrophobicContact CG-CB 4.44Å; W69-I93 HydrophobicContact CG-CG2 3.87Å; W69-E97 WeakPolarHBondContact CZ2-OE1 3.43Å; W69-E97 PolarHBondContact NE1-OE2 3.18Å; W69-P103 HydrophobicContact CH2-CB 4.49Å; W69-P103 HydrophobicContact CH2-CG 4.04Å; W69-P103 HydrophobicContact CZ2-CB 3.8Å; W69-P103 HydrophobicContact CZ2-CG 3.72Å
70	L	92.8	Very high	90.6	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.005	28%	0.284	C	S	.	.	S	Bend	trans	-67	139.3	-179.1	-65.7	-175.8	0	0	0	113	F59 F63 S66 L67 V74 L75 Y89 K117	F59-L70 HydrophobicContact CE2-CD1 4.08Å; F63-L70 HydrophobicContact CB-CD1 4.02Å; F63-L70 HydrophobicContact CD2-CD1 4.16Å; F63-L70 HydrophobicContact CG-CD1 4.38Å; S66-L70 PolarHBondContact O-N 2.97Å; L67-L70 HydrophobicContact CD2-CD1 4.32Å; L67-L70 PolarHBondContact O-N 3.39Å; L70-V74 HydrophobicContact CB-CB 4.41Å; L70-V74 HydrophobicContact CB-CG1 4.49Å; L70-V74 HydrophobicContact CD1-CG1 4.09Å; L70-V74 HydrophobicContact CD2-CG1 4.27Å; L70-L75 HydrophobicContact CB-CD2 4.01Å; L70-L75 HydrophobicContact CB-CG 4.2Å; L70-L75 HydrophobicContact CD1-CD2 4.08Å; L70-Y89 VanDerWaalsContact O-CE1 3.23Å; L70-Y89 WeakPolarHBondContact O-CE1 3.4Å; L70-K117 PolarHBondContact O-NZ 3.18Å
71	A	91.1	Very high	90.7	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.273	C	S	.	.			trans	-68.2	150.8	177.3	0	0	0	0	0	111.8	E73 V74 L75 Y89	A71-E73 HydrophobicContact CB-CG 4.15Å; A71-E73 WeakPolarHBondContact CB-OE1 3.4Å; A71-E73 VanDerWaalsContact CB-OE2 3.27Å; A71-E73 WeakPolarHBondContact CB-OE2 3.4Å; A71-E73 PolarHBondContact O-N 3.38Å; A71-V74 HydrophobicContact CB-CG2 4.15Å; A71-V74 WeakPolarHBondContact O-CB 3.34Å; A71-V74 PolarHBondContact O-N 2.82Å; A71-L75 PolarHBondContact O-N 3.03Å; A71-L75 VanDerWaalsContact O-N 3.12Å; A71-Y89 HydrophobicContact CB-CD1 3.83Å; A71-Y89 HydrophobicContact CB-CG 3.75Å
72	P	92.1	Very high	90.8	Very high	16 Å²	16	45.5 Å²	45.5	10%	0.104	25%	0.247	C	C	.	.	H	α-helix	trans	-56.4	-34.8	-180	19.9	-30.8	0	0	0	112.8	V74 L75 Q76 K117	P72-V74 VanDerWaalsContact C-N 3.33Å; P72-V74 PolarHBondContact O-N 3.33Å; P72-L75 PolarHBondContact O-N 3.06Å; P72-Q76 VanDerWaalsContact O-CB 3.32Å; P72-Q76 WeakPolarHBondContact O-CB 3.37Å; P72-Q76 WeakPolarHBondContact O-CG 3.49Å; P72-Q76 PolarHBondContact O-N 2.96Å; P72-Q76 PolarHBondContact O-NE2 3.03Å; P72-K117 HydrophobicContact CB-CB 4.2Å
73	E	91.3	Very high	90.8	Very high	44 Å²	44	44.8 Å²	44.8	21%	0.206	24%	0.243	C	C	.	.	H	α-helix	trans	-64	-35.4	175.9	61.6	-85.6	-162.8	0	0	113.1	A71 L75 Q77 S86 R155	A71-E73 HydrophobicContact CB-CG 4.15Å; A71-E73 WeakPolarHBondContact CB-OE1 3.4Å; A71-E73 VanDerWaalsContact CB-OE2 3.27Å; A71-E73 WeakPolarHBondContact CB-OE2 3.4Å; A71-E73 PolarHBondContact O-N 3.38Å; E73-L75 VanDerWaalsContact C-N 3.33Å; E73-Q77 PolarHBondContact O-N 2.82Å; E73-S86 VanDerWaalsContact CG-OG 3.26Å; E73-S86 WeakPolarHBondContact CG-OG 3.1Å; E73-S86 PolarHBondContact OE1-OG 3.22Å; E73-R155 IonicContact OE1-NH2 3.12Å; E73-R155 PolarHBondContact OE1-NH2 2.67Å; E73-R155 IonicContact OE2-NH2 3.25Å
74	V	92	Very high	90.6	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-69.6	-35	173.1	-173.8	0	0	0	0	110.2	F18 F59 L70 A71 P72 Q77 Y82	F18-V74 HydrophobicContact CZ-CG2 4.28Å; F59-V74 HydrophobicContact CD2-CG1 4.31Å; F59-V74 HydrophobicContact CE2-CG1 4.35Å; L70-V74 HydrophobicContact CB-CB 4.41Å; L70-V74 HydrophobicContact CB-CG1 4.49Å; L70-V74 HydrophobicContact CD1-CG1 4.09Å; L70-V74 HydrophobicContact CD2-CG1 4.27Å; A71-V74 HydrophobicContact CB-CG2 4.15Å; A71-V74 WeakPolarHBondContact O-CB 3.34Å; A71-V74 PolarHBondContact O-N 2.82Å; P72-V74 VanDerWaalsContact C-N 3.33Å; P72-V74 PolarHBondContact O-N 3.33Å; V74-Q77 PolarHBondContact O-NE2 3.14Å; V74-Y82 HydrophobicContact CB-CD1 4.3Å; V74-Y82 HydrophobicContact CB-CG 4.38Å; V74-Y82 HydrophobicContact CG1-CD1 4.13Å; V74-Y82 HydrophobicContact CG1-CE1 4.12Å; V74-Y82 HydrophobicContact CG1-CG 4.46Å; V74-Y82 HydrophobicContact CG2-CD1 4.14Å; V74-Y82 HydrophobicContact CG2-CD2 4.05Å; V74-Y82 HydrophobicContact CG2-CG 3.72Å
75	L	92.4	Very high	90.5	Very high	27 Å²	27	45 Å²	45	14%	0.141	25%	0.246	C	C	.	.	H	α-helix	trans	-77.6	-33.7	179	-62.2	174.9	0	0	0	112.9	F59 L67 L70 A71 P72 E73 Q77 M113 F114 K117	F59-L75 HydrophobicContact CE2-CD2 4.25Å; F59-L75 HydrophobicContact CZ-CD2 4.4Å; L67-L75 HydrophobicContact CD2-CD2 3.72Å; L70-L75 HydrophobicContact CB-CD2 4.01Å; L70-L75 HydrophobicContact CB-CG 4.2Å; L70-L75 HydrophobicContact CD1-CD2 4.08Å; A71-L75 PolarHBondContact O-N 3.03Å; A71-L75 VanDerWaalsContact O-N 3.12Å; P72-L75 PolarHBondContact O-N 3.06Å; E73-L75 VanDerWaalsContact C-N 3.33Å; L75-Q77 VanDerWaalsContact C-N 3.35Å; L75-M113 HydrophobicContact CD1-CE 4.27Å; L75-M113 HydrophobicContact CD1-SD 4.01Å; L75-F114 HydrophobicContact CB-CD2 3.76Å; L75-F114 HydrophobicContact CB-CE2 3.69Å; L75-F114 HydrophobicContact CD1-CD2 4.1Å; L75-K117 HydrophobicContact CD1-CD 3.7Å
76	Q	91.4	Very high	90.5	Very high	58 Å²	58	41 Å²	41	27%	0.271	22%	0.221	S	C	.	.	H	α-helix	trans	-72.3	-26.4	-177.6	-79.6	168.6	111.4	0	0	113.4	P72 F78 F114 L118	P72-Q76 VanDerWaalsContact O-CB 3.32Å; P72-Q76 WeakPolarHBondContact O-CB 3.37Å; P72-Q76 WeakPolarHBondContact O-CG 3.49Å; P72-Q76 PolarHBondContact O-N 2.96Å; P72-Q76 PolarHBondContact O-NE2 3.03Å; Q76-F78 HydrophobicContact CB-CD1 4.24Å; Q76-F78 HydrophobicContact CB-CD2 3.9Å; Q76-F78 HydrophobicContact CB-CE1 4.2Å; Q76-F78 HydrophobicContact CB-CE2 3.89Å; Q76-F78 HydrophobicContact CB-CG 4.08Å; Q76-F78 HydrophobicContact CB-CZ 4.02Å; Q76-F78 HydrophobicContact CG-CD2 4.49Å; Q76-F78 HydrophobicContact CG-CE2 4Å; Q76-F78 HydrophobicContact CG-CZ 4.02Å; Q76-F78 PolarHBondContact O-N 3.26Å; Q76-F114 HydrophobicContact CG-CE2 3.91Å; Q76-F114 HydrophobicContact CG-CZ 3.99Å; Q76-L118 HydrophobicContact CG-CD2 3.45Å; Q76-L118 VanDerWaalsContact CG-CD2 3.45Å
77	Q	90.6	Very high	90.3	Very high	77 Å²	77	41.1 Å²	41.1	36%	0.36	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	55	36.2	178.6	-64.6	-68.9	-65	0	0	112.9	H57 F59 E73 V74 L75	H57-Q77 PolarHBondContact O-OE1 3.11Å; F59-Q77 HydrophobicContact CB-CG 4.39Å; F59-Q77 HydrophobicContact CD2-CG 4.34Å; F59-Q77 HydrophobicContact CG-CG 4.46Å; E73-Q77 PolarHBondContact O-N 2.82Å; V74-Q77 PolarHBondContact O-NE2 3.14Å; L75-Q77 VanDerWaalsContact C-N 3.35Å
78	F	90.2	Very high	89.9	Confident	116 Å²	116	43.1 Å²	43.1	51%	0.509	23%	0.232	S	C	.	.			trans	-66.6	158.1	177.5	-70.9	-33.6	0	0	0	112.2	Q76 A80 G81	Q76-F78 HydrophobicContact CB-CD1 4.24Å; Q76-F78 HydrophobicContact CB-CD2 3.9Å; Q76-F78 HydrophobicContact CB-CE1 4.2Å; Q76-F78 HydrophobicContact CB-CE2 3.89Å; Q76-F78 HydrophobicContact CB-CG 4.08Å; Q76-F78 HydrophobicContact CB-CZ 4.02Å; Q76-F78 HydrophobicContact CG-CD2 4.49Å; Q76-F78 HydrophobicContact CG-CE2 4Å; Q76-F78 HydrophobicContact CG-CZ 4.02Å; Q76-F78 PolarHBondContact O-N 3.26Å; F78-A80 PolarHBondContact O-N 3.35Å; F78-G81 PolarHBondContact O-N 3.33Å
79	P	89.1	Confident	89.6	Confident	123 Å²	123	42.8 Å²	42.8	80%	0.799	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-17.9	178	-26.3	35.1	0	0	0	115.2	H57 G81	H57-P79 PolarHBondContact CE1-O 2.87Å; P79-G81 VanDerWaalsContact C-N 3.28Å
80	A	89.3	Confident	89.4	Confident	78 Å²	78	41.8 Å²	41.8	65%	0.645	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-22	173.9	0	0	0	0	0	113.1	S55 F78	S55-A80 VanDerWaalsContact CB-O 3.25Å; S55-A80 WeakPolarHBondContact CB-O 3.39Å; S55-A80 PolarHBondContact OG-O 3.08Å; F78-A80 PolarHBondContact O-N 3.35Å
81	G	90.3	Very high	89.1	Confident	13 Å²	13	43.1 Å²	43.1	13%	0.134	23%	0.233	C	C	.	.			trans	71.4	-161.2	-175.7	0	0	0	0	0	112.8	L56 H57 F78 P79	L56-G81 CarbonylContact O-C 3.53Å; L56-G81 WeakPolarHBondContact O-CA 3.32Å; H57-G81 VanDerWaalsContact CE1-CA 3.4Å; H57-G81 WeakPolarHBondContact CE1-CA 3.46Å; H57-G81 PolarHBondContact CE1-N 2.94Å; H57-G81 VanDerWaalsContact CE1-N 3.31Å; H57-G81 WeakPolarHBondContact ND1-CA 3.29Å; F78-G81 PolarHBondContact O-N 3.33Å; P79-G81 VanDerWaalsContact C-N 3.28Å
82	Y	90.2	Very high	88.9	Confident	5 Å²	5	43.8 Å²	43.8	2%	0.02	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-133.1	155.5	178.4	57.5	-95.8	0	0	0	111	F18 R20 S55 L56 D58 V74	F18-Y82 AromaticContact CD1-CD2 3.92Å; F18-Y82 HydrophobicContact CD1-CD2 3.92Å; F18-Y82 AromaticContact CD1-CE2 3.42Å; F18-Y82 HydrophobicContact CD1-CE2 3.42Å; F18-Y82 VanDerWaalsContact CD1-CE2 3.42Å; F18-Y82 AromaticContact CE1-CD2 3.42Å; F18-Y82 HydrophobicContact CE1-CD2 3.42Å; F18-Y82 VanDerWaalsContact CE1-CD2 3.42Å; F18-Y82 AromaticContact CE1-CE2 3.13Å; F18-Y82 HydrophobicContact CE1-CE2 3.13Å; F18-Y82 AromaticContact CZ-CD2 3.87Å; F18-Y82 HydrophobicContact CZ-CD2 3.87Å; F18-Y82 HydrophobicContact CZ-CE2 4.05Å; R20-Y82 PolarHBondContact NH2-OH 2.7Å; S55-Y82 CarbonylContact C-O 3.43Å; S55-Y82 VanDerWaalsContact CA-O 3.24Å; S55-Y82 WeakPolarHBondContact CA-O 3.12Å; S55-Y82 WeakPolarHBondContact CB-O 3.36Å; L56-Y82 HydrophobicContact CB-CD2 4.09Å; L56-Y82 HydrophobicContact CB-CE1 4.34Å; L56-Y82 HydrophobicContact CB-CE2 3.5Å; L56-Y82 HydrophobicContact CD1-CE2 4.12Å; L56-Y82 HydrophobicContact CG-CE2 4.42Å; L56-Y82 PolarHBondContact N-O 3.47Å; L56-Y82 WeakPolarHBondContact O-CD1 3.33Å; L56-Y82 PolarHBondContact O-N 3.26Å; D58-Y82 VanDerWaalsContact O-CE1 3.31Å; D58-Y82 WeakPolarHBondContact O-CE1 3.17Å; D58-Y82 PolarHBondContact O-OH 2.99Å; D58-Y82 PolarHBondContact OD1-OH 3.18Å; V74-Y82 HydrophobicContact CB-CD1 4.3Å; V74-Y82 HydrophobicContact CB-CG 4.38Å; V74-Y82 HydrophobicContact CG1-CD1 4.13Å; V74-Y82 HydrophobicContact CG1-CE1 4.12Å; V74-Y82 HydrophobicContact CG1-CG 4.46Å; V74-Y82 HydrophobicContact CG2-CD1 4.14Å; V74-Y82 HydrophobicContact CG2-CD2 4.05Å; V74-Y82 HydrophobicContact CG2-CG 3.72Å
83	D	87.8	Confident	88.7	Confident	54 Å²	54	43 Å²	43	29%	0.289	24%	0.235	S	C	.	.			trans	-125.6	-175.2	-174.8	73	3.7	0	0	0	111.9	K85 S86	D83-K85 PolarHBondContact O-N 3.06Å; D83-K85 WeakPolarHBondContact OD1-CA 3.26Å; D83-K85 WeakPolarHBondContact OD1-CB 3.49Å; D83-K85 WeakPolarHBondContact OD1-CG 3.2Å; D83-K85 PolarHBondContact OD1-N 3.22Å; D83-S86 WeakPolarHBondContact O-CB 3.26Å; D83-S86 PolarHBondContact O-N 3.33Å
84	L	85.3	Confident	88.6	Confident	41 Å²	41	41.1 Å²	41.1	22%	0.215	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-19.7	176.5	-70.7	168.6	0	0	0	113.4	N17 F46 S86 D87	N17-L84 WeakPolarHBondContact O-CD2 3.49Å; F46-L84 HydrophobicContact CD2-CD1 4.3Å; F46-L84 HydrophobicContact CD2-CD2 3.65Å; F46-L84 HydrophobicContact CD2-CG 3.68Å; F46-L84 HydrophobicContact CE2-CB 4.34Å; F46-L84 HydrophobicContact CE2-CD1 4.46Å; F46-L84 HydrophobicContact CE2-CD2 3.37Å; F46-L84 HydrophobicContact CE2-CG 3.39Å; F46-L84 HydrophobicContact CZ-CG 4.23Å; L84-S86 PolarHBondContact O-N 3.07Å; L84-D87 PolarHBondContact O-N 2.82Å
85	K	84.2	Confident	88.2	Confident	119 Å²	119	41.4 Å²	41.4	52%	0.517	23%	0.228	S	C	.	.	H	α-helix	trans	-72.5	-18.6	178	-55.8	175.6	-179.8	170	0	112.2	D83 D87 I88 Y89	D83-K85 PolarHBondContact O-N 3.06Å; D83-K85 WeakPolarHBondContact OD1-CA 3.26Å; D83-K85 WeakPolarHBondContact OD1-CB 3.49Å; D83-K85 WeakPolarHBondContact OD1-CG 3.2Å; D83-K85 PolarHBondContact OD1-N 3.22Å; K85-D87 PolarHBondContact O-N 3.49Å; K85-I88 HydrophobicContact CB-CD1 4.28Å; K85-I88 HydrophobicContact CG-CD1 4.4Å; K85-I88 VanDerWaalsContact O-CB 3.32Å; K85-I88 WeakPolarHBondContact O-CB 3.32Å; K85-I88 PolarHBondContact O-N 2.8Å; K85-I88 VanDerWaalsContact O-N 3.11Å; K85-Y89 PolarHBondContact O-N 3.47Å
86	S	88.6	Confident	87.9	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-65.4	-24.2	173.2	-62.1	0	0	0	0	112.2	E73 D83 L84 Y89 S90	E73-S86 VanDerWaalsContact CG-OG 3.26Å; E73-S86 WeakPolarHBondContact CG-OG 3.1Å; E73-S86 PolarHBondContact OE1-OG 3.22Å; D83-S86 WeakPolarHBondContact O-CB 3.26Å; D83-S86 PolarHBondContact O-N 3.33Å; L84-S86 PolarHBondContact O-N 3.07Å; S86-Y89 WeakPolarHBondContact O-CB 3.45Å; S86-Y89 PolarHBondContact O-N 3.46Å; S86-S90 PolarHBondContact O-N 3.29Å; S86-S90 PolarHBondContact O-OG 3.4Å
87	D	87	Confident	87.8	Confident	3 Å²	3	38.8 Å²	38.8	2%	0.016	22%	0.216	C	C	.	.	H	α-helix	trans	-72.9	-31.1	173.6	-88.5	-17.1	0	0	0	110.9	F18 S19 R20 I22 L84 K85 Y89 S90 V91	F18-D87 HydrophobicContact CD2-CB 4.25Å; F18-D87 VanDerWaalsContact CD2-OD2 3.23Å; F18-D87 WeakPolarHBondContact CD2-OD2 3.49Å; F18-D87 HydrophobicContact CE2-CB 4.01Å; F18-D87 WeakPolarHBondContact CE2-OD1 3.32Å; S19-D87 PolarHBondContact N-OD2 2.81Å; R20-D87 PolarHBondContact N-OD1 3.24Å; I22-D87 HydrophobicContact CD1-CB 3.53Å; I22-D87 VanDerWaalsContact CD1-CG 3.48Å; L84-D87 PolarHBondContact O-N 2.82Å; K85-D87 PolarHBondContact O-N 3.49Å; D87-Y89 VanDerWaalsContact C-N 3.25Å; D87-Y89 PolarHBondContact O-N 2.97Å; D87-S90 CarbonylContact O-C 3.55Å; D87-S90 WeakPolarHBondContact O-CA 3.23Å; D87-S90 WeakPolarHBondContact O-CB 3.26Å; D87-S90 PolarHBondContact O-N 2.72Å; D87-S90 VanDerWaalsContact O-N 3.08Å; D87-V91 WeakPolarHBondContact O-CG2 3.27Å; D87-V91 PolarHBondContact O-N 2.83Å
88	I	84.3	Confident	87.5	Confident	73 Å²	73	40.1 Å²	40.1	37%	0.374	22%	0.223	S	C	.	.	H	α-helix	trans	-62.2	-36.8	174.8	-56.6	174.2	0	0	0	110.6	K85 V91 G92 A151	K85-I88 HydrophobicContact CB-CD1 4.28Å; K85-I88 HydrophobicContact CG-CD1 4.4Å; K85-I88 VanDerWaalsContact O-CB 3.32Å; K85-I88 WeakPolarHBondContact O-CB 3.32Å; K85-I88 PolarHBondContact O-N 2.8Å; K85-I88 VanDerWaalsContact O-N 3.11Å; I88-V91 PolarHBondContact O-N 3.19Å; I88-G92 PolarHBondContact O-N 2.79Å; I88-G92 VanDerWaalsContact O-N 3.09Å; I88-A151 HydrophobicContact CG2-CB 4.25Å
89	Y	88.2	Confident	87.1	Confident	29 Å²	29	37.1 Å²	37.1	11%	0.114	22%	0.219	C	C	.	.	H	α-helix	trans	-62.4	-48	172.3	-178.5	-89.8	0	0	0	111.2	W69 L70 A71 K85 S86 D87 V91 G92 I93 K117	W69-Y89 VanDerWaalsContact O-CD1 3.26Å; W69-Y89 WeakPolarHBondContact O-CD1 3.5Å; L70-Y89 VanDerWaalsContact O-CE1 3.23Å; L70-Y89 WeakPolarHBondContact O-CE1 3.4Å; A71-Y89 HydrophobicContact CB-CD1 3.83Å; A71-Y89 HydrophobicContact CB-CG 3.75Å; K85-Y89 PolarHBondContact O-N 3.47Å; S86-Y89 WeakPolarHBondContact O-CB 3.45Å; S86-Y89 PolarHBondContact O-N 3.46Å; D87-Y89 VanDerWaalsContact C-N 3.25Å; D87-Y89 PolarHBondContact O-N 2.97Å; Y89-V91 VanDerWaalsContact C-N 3.27Å; Y89-V91 PolarHBondContact O-N 3.25Å; Y89-G92 WeakPolarHBondContact O-CA 3.43Å; Y89-G92 PolarHBondContact O-N 2.73Å; Y89-I93 HydrophobicContact CD1-CG1 3.85Å; Y89-I93 HydrophobicContact CE1-CD1 3.77Å; Y89-I93 HydrophobicContact CE1-CG1 3.45Å; Y89-I93 VanDerWaalsContact CE1-CG1 3.45Å; Y89-I93 WeakPolarHBondContact O-CG1 3.12Å; Y89-I93 PolarHBondContact O-N 2.87Å; Y89-K117 WeakPolarHBondContact OH-CD 3.34Å; Y89-K117 WeakPolarHBondContact OH-CE 3.18Å
90	S	89.6	Confident	86.8	Confident	1 Å²	1	32.8 Å²	32.8	1%	0.007	19%	0.19	C	C	.	.	H	α-helix	trans	-58.4	-38.7	178.2	-51.2	0	0	0	0	111.9	W69 S86 D87 I93 T94	W69-S90 WeakPolarHBondContact O-CA 3.26Å; W69-S90 PolarHBondContact O-OG 3.41Å; S86-S90 PolarHBondContact O-N 3.29Å; S86-S90 PolarHBondContact O-OG 3.4Å; D87-S90 CarbonylContact O-C 3.55Å; D87-S90 WeakPolarHBondContact O-CA 3.23Å; D87-S90 WeakPolarHBondContact O-CB 3.26Å; D87-S90 PolarHBondContact O-N 2.72Å; D87-S90 VanDerWaalsContact O-N 3.08Å; S90-I93 PolarHBondContact O-N 3.35Å; S90-T94 WeakPolarHBondContact O-CB 3.49Å; S90-T94 PolarHBondContact O-N 2.95Å; S90-T94 PolarHBondContact O-OG1 3.45Å
91	V	86.6	Confident	86.6	Confident	29 Å²	29	32.4 Å²	32.4	18%	0.176	19%	0.193	C	C	.	.	H	α-helix	trans	-60.9	-43.2	171.6	172.4	0	0	0	0	111.3	I11 I22 D87 I88 Y89 T94 A95 I147	I11-V91 HydrophobicContact CD1-CG2 3.98Å; I22-V91 HydrophobicContact CD1-CG2 4.05Å; I22-V91 HydrophobicContact CG2-CG2 3.98Å; D87-V91 WeakPolarHBondContact O-CG2 3.27Å; D87-V91 PolarHBondContact O-N 2.83Å; I88-V91 PolarHBondContact O-N 3.19Å; Y89-V91 VanDerWaalsContact C-N 3.27Å; Y89-V91 PolarHBondContact O-N 3.25Å; V91-T94 PolarHBondContact O-N 3.09Å; V91-A95 WeakPolarHBondContact O-CB 3.35Å; V91-A95 PolarHBondContact O-N 2.83Å; V91-I147 HydrophobicContact CG1-CG2 4.27Å
92	G	85.9	Confident	86.6	Confident	13 Å²	13	36.6 Å²	36.6	13%	0.134	21%	0.208	C	C	.	.	H	α-helix	trans	-61.8	-42.8	176.5	0	0	0	0	0	113	I88 Y89 A95 C96	I88-G92 PolarHBondContact O-N 2.79Å; I88-G92 VanDerWaalsContact O-N 3.09Å; Y89-G92 WeakPolarHBondContact O-CA 3.43Å; Y89-G92 PolarHBondContact O-N 2.73Å; G92-A95 PolarHBondContact O-N 3.29Å; G92-C96 PolarHBondContact O-N 2.88Å; G92-C96 PolarHBondContact O-SG 2.8Å
93	I	89.5	Confident	86.6	Confident	1 Å²	1	37.2 Å²	37.2	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-63.2	-45.4	174.2	-59.8	-68.1	0	0	0	110.3	W69 Y89 S90 A95 C96 E97 P103 P104 F105 P123	W69-I93 HydrophobicContact CB-CG2 4.37Å; W69-I93 VanDerWaalsContact CD1-CG2 3.43Å; W69-I93 HydrophobicContact CG-CB 4.44Å; W69-I93 HydrophobicContact CG-CG2 3.87Å; Y89-I93 HydrophobicContact CD1-CG1 3.85Å; Y89-I93 HydrophobicContact CE1-CD1 3.77Å; Y89-I93 HydrophobicContact CE1-CG1 3.45Å; Y89-I93 VanDerWaalsContact CE1-CG1 3.45Å; Y89-I93 WeakPolarHBondContact O-CG1 3.12Å; Y89-I93 PolarHBondContact O-N 2.87Å; S90-I93 PolarHBondContact O-N 3.35Å; I93-A95 VanDerWaalsContact C-N 3.34Å; I93-A95 PolarHBondContact O-N 2.97Å; I93-C96 WeakPolarHBondContact O-CB 3.38Å; I93-C96 PolarHBondContact O-N 3.22Å; I93-C96 VanDerWaalsContact O-N 3.13Å; I93-E97 WeakPolarHBondContact O-CB 3.3Å; I93-E97 PolarHBondContact O-N 2.94Å; I93-P103 HydrophobicContact CG2-CB 4.35Å; I93-P104 HydrophobicContact CD1-CB 4.35Å; I93-P104 HydrophobicContact CD1-CG 4.21Å; I93-P104 HydrophobicContact CG2-CG 4.44Å; I93-F105 HydrophobicContact CD1-CE2 4.37Å; I93-P123 HydrophobicContact CD1-CG 3.52Å
94	T	88.4	Confident	86.7	Confident	4 Å²	4	35.2 Å²	35.2	3%	0.025	20%	0.203	C	C	.	.	H	α-helix	trans	-62.3	-39.6	178.5	-55	0	0	0	0	112	I22 R23 I27 S90 V91 C96 E97 M98	I22-T94 PolarHBondContact O-OG1 3.18Å; R23-T94 WeakPolarHBondContact CA-OG1 3.23Å; I27-T94 HydrophobicContact CD1-CG2 3.7Å; S90-T94 WeakPolarHBondContact O-CB 3.49Å; S90-T94 PolarHBondContact O-N 2.95Å; S90-T94 PolarHBondContact O-OG1 3.45Å; V91-T94 PolarHBondContact O-N 3.09Å; T94-C96 VanDerWaalsContact C-N 3.31Å; T94-C96 PolarHBondContact O-N 3.47Å; T94-E97 WeakPolarHBondContact O-CB 3.5Å; T94-E97 PolarHBondContact O-N 3.28Å; T94-M98 HydrophobicContact CG2-CE 4.18Å; T94-M98 HydrophobicContact CG2-CG 4.39Å; T94-M98 HydrophobicContact CG2-SD 4.35Å; T94-M98 WeakPolarHBondContact O-CB 3.43Å; T94-M98 VanDerWaalsContact O-CG 3.3Å; T94-M98 WeakPolarHBondContact O-CG 3.26Å; T94-M98 PolarHBondContact O-N 3.33Å
95	A	84.2	Confident	87	Confident	5 Å²	5	34 Å²	34	4%	0.041	20%	0.196	C	C	.	.	H	α-helix	trans	-62.8	-39	175	0	0	0	0	0	111.8	V91 G92 I93 A99	V91-A95 WeakPolarHBondContact O-CB 3.35Å; V91-A95 PolarHBondContact O-N 2.83Å; G92-A95 PolarHBondContact O-N 3.29Å; I93-A95 VanDerWaalsContact C-N 3.34Å; I93-A95 PolarHBondContact O-N 2.97Å; A95-A99 WeakPolarHBondContact O-CB 3.43Å; A95-A99 PolarHBondContact O-N 3.41Å; A95-A99 VanDerWaalsContact O-N 3.14Å
96	C	85	Confident	87.4	Confident	2 Å²	2	31 Å²	31	1%	0.014	19%	0.193	C	C	.	.	H	α-helix	trans	-69.1	-42.1	174.2	-61.4	0	0	0	0	111.6	G92 I93 T94 A99 N100 P104	G92-C96 PolarHBondContact O-N 2.88Å; G92-C96 PolarHBondContact O-SG 2.8Å; I93-C96 WeakPolarHBondContact O-CB 3.38Å; I93-C96 PolarHBondContact O-N 3.22Å; I93-C96 VanDerWaalsContact O-N 3.13Å; T94-C96 VanDerWaalsContact C-N 3.31Å; T94-C96 PolarHBondContact O-N 3.47Å; C96-A99 PolarHBondContact O-N 3.32Å; C96-N100 VanDerWaalsContact O-CB 3.24Å; C96-N100 WeakPolarHBondContact O-CB 3.4Å; C96-N100 VanDerWaalsContact O-CG 3.29Å; C96-N100 PolarHBondContact O-N 3.12Å; C96-N100 PolarHBondContact O-ND2 3.2Å; C96-P104 HydrophobicContact CB-CG 3.63Å
97	E	89.1	Confident	87.5	Confident	29 Å²	29	37.6 Å²	37.6	14%	0.136	23%	0.228	C	C	.	.	H	α-helix	trans	-55.6	-50.4	174.6	177	-172.7	-166.6	0	0	111.4	G24 W69 I93 T94 A99 N100 G101 F102 P103	G24-E97 PolarHBondContact N-OE2 3.04Å; W69-E97 WeakPolarHBondContact CZ2-OE1 3.43Å; W69-E97 PolarHBondContact NE1-OE2 3.18Å; I93-E97 WeakPolarHBondContact O-CB 3.3Å; I93-E97 PolarHBondContact O-N 2.94Å; T94-E97 WeakPolarHBondContact O-CB 3.5Å; T94-E97 PolarHBondContact O-N 3.28Å; E97-A99 VanDerWaalsContact C-N 3.31Å; E97-A99 PolarHBondContact O-N 2.91Å; E97-N100 PolarHBondContact O-N 3.04Å; E97-G101 CarbonylContact O-C 3.47Å; E97-G101 VanDerWaalsContact O-CA 3.3Å; E97-G101 WeakPolarHBondContact O-CA 3.44Å; E97-G101 PolarHBondContact O-N 2.93Å; E97-F102 WeakPolarHBondContact CA-O 3.28Å; E97-F102 PolarHBondContact O-N 3.35Å; E97-P103 HydrophobicContact CB-CB 4.11Å; E97-P103 HydrophobicContact CG-CB 4.2Å
98	M	84.4	Confident	87.8	Confident	104 Å²	104	40.6 Å²	40.6	51%	0.512	24%	0.243	S	C	.	.	H	α-helix	trans	-64.6	-35.4	179.6	-69.5	-174.1	-59.5	0	0	112.5	I27 T94	I27-M98 HydrophobicContact CD1-SD 3.97Å; T94-M98 HydrophobicContact CG2-CE 4.18Å; T94-M98 HydrophobicContact CG2-CG 4.39Å; T94-M98 HydrophobicContact CG2-SD 4.35Å; T94-M98 WeakPolarHBondContact O-CB 3.43Å; T94-M98 VanDerWaalsContact O-CG 3.3Å; T94-M98 WeakPolarHBondContact O-CG 3.26Å; T94-M98 PolarHBondContact O-N 3.33Å
99	A	81.6	Confident	88.4	Confident	53 Å²	53	41 Å²	41	44%	0.438	25%	0.249	S	C	.	.	H	α-helix	trans	-78.7	-35.9	-179.6	0	0	0	0	0	113.3	A95 C96 E97 L125	A95-A99 WeakPolarHBondContact O-CB 3.43Å; A95-A99 PolarHBondContact O-N 3.41Å; A95-A99 VanDerWaalsContact O-N 3.14Å; C96-A99 PolarHBondContact O-N 3.32Å; E97-A99 VanDerWaalsContact C-N 3.31Å; E97-A99 PolarHBondContact O-N 2.91Å; A99-L125 HydrophobicContact CB-CD2 3.46Å; A99-L125 VanDerWaalsContact CB-CD2 3.46Å
100	N	83.2	Confident	88.6	Confident	33 Å²	33	43.4 Å²	43.4	18%	0.176	27%	0.27	C	S	.	.	H	α-helix	trans	-93.2	-17.7	-176.9	-65	-21.3	0	0	0	112.9	C96 E97 F102 R124 L126	C96-N100 VanDerWaalsContact O-CB 3.24Å; C96-N100 WeakPolarHBondContact O-CB 3.4Å; C96-N100 VanDerWaalsContact O-CG 3.29Å; C96-N100 PolarHBondContact O-N 3.12Å; C96-N100 PolarHBondContact O-ND2 3.2Å; E97-N100 PolarHBondContact O-N 3.04Å; N100-F102 VanDerWaalsContact C-N 3.26Å; N100-F102 HydrophobicContact CB-CD1 4.49Å; N100-F102 HydrophobicContact CB-CE1 4.5Å; N100-F102 WeakPolarHBondContact O-CD1 3.49Å; N100-F102 PolarHBondContact O-N 3.37Å; N100-R124 PolarHBondContact ND2-O 3.09Å; N100-L126 HydrophobicContact CB-CD1 4.24Å; N100-L126 PolarHBondContact OD1-N 3.19Å
101	G	86.3	Confident	88.9	Confident	69 Å²	69	49.1 Å²	49.1	71%	0.711	30%	0.3	S	S	*	.	S	Bend	trans	84.1	-8.9	-170.8	0	0	0	0	0	114.4	E97	E97-G101 CarbonylContact O-C 3.47Å; E97-G101 VanDerWaalsContact O-CA 3.3Å; E97-G101 WeakPolarHBondContact O-CA 3.44Å; E97-G101 PolarHBondContact O-N 2.93Å
102	F	89.2	Confident	89.3	Confident	101 Å²	101	52.6 Å²	52.6	44%	0.443	31%	0.314	S	S	.	.	S	Bend	trans	-147.7	148.6	176.1	58.2	-89.5	0	0	0	111	E97 N100 L126	E97-F102 WeakPolarHBondContact CA-O 3.28Å; E97-F102 PolarHBondContact O-N 3.35Å; N100-F102 VanDerWaalsContact C-N 3.26Å; N100-F102 HydrophobicContact CB-CD1 4.49Å; N100-F102 HydrophobicContact CB-CE1 4.5Å; N100-F102 WeakPolarHBondContact O-CD1 3.49Å; N100-F102 PolarHBondContact O-N 3.37Å; F102-L126 HydrophobicContact CE1-CD1 3.86Å; F102-L126 HydrophobicContact CE2-CD1 3.54Å; F102-L126 HydrophobicContact CZ-CD1 3.05Å
103	P	89.9	Confident	89.6	Confident	18 Å²	18	52.2 Å²	52.2	12%	0.117	31%	0.309	C	S	.	.			trans	-71.1	149.4	-178.6	29	-33.1	0	0	0	111.2	L68 W69 I93 E97 A106	L68-P103 HydrophobicContact CD1-CB 4.28Å; L68-P103 HydrophobicContact CD1-CG 3.66Å; W69-P103 HydrophobicContact CH2-CB 4.49Å; W69-P103 HydrophobicContact CH2-CG 4.04Å; W69-P103 HydrophobicContact CZ2-CB 3.8Å; W69-P103 HydrophobicContact CZ2-CG 3.72Å; I93-P103 HydrophobicContact CG2-CB 4.35Å; E97-P103 HydrophobicContact CB-CB 4.11Å; E97-P103 HydrophobicContact CG-CB 4.2Å; P103-A106 HydrophobicContact CG-CB 4.18Å; P103-A106 VanDerWaalsContact O-CB 3.25Å; P103-A106 WeakPolarHBondContact O-CB 3.32Å; P103-A106 PolarHBondContact O-N 2.99Å
104	P	90.1	Very high	89.8	Confident	13 Å²	13	54.9 Å²	54.9	8%	0.084	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.7	145	166.9	-26.7	32.3	0	0	0	112.7	I93 C96 A106 P123	I93-P104 HydrophobicContact CD1-CB 4.35Å; I93-P104 HydrophobicContact CD1-CG 4.21Å; I93-P104 HydrophobicContact CG2-CG 4.44Å; C96-P104 HydrophobicContact CB-CG 3.63Å; P104-A106 PolarHBondContact O-N 2.96Å; P104-P123 HydrophobicContact CB-CB 3.79Å; P104-P123 HydrophobicContact CB-CG 3.95Å; P104-P123 HydrophobicContact CG-CB 3.44Å; P104-P123 VanDerWaalsContact CG-CB 3.44Å; P104-P123 HydrophobicContact CG-CG 3.91Å
105	F	92.4	Very high	90.1	Very high	15 Å²	15	58.5 Å²	58.5	7%	0.066	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.6	12.3	178.9	-37.6	-73.4	0	0	0	115.4	L68 I93 D107 M108 M113 E116 K117 V121 P123	L68-F105 HydrophobicContact CD2-CB 4.18Å; I93-F105 HydrophobicContact CD1-CE2 4.37Å; F105-D107 PolarHBondContact O-N 3.35Å; F105-M108 HydrophobicContact CB-SD 4.08Å; F105-M108 HydrophobicContact CD1-CE 4.08Å; F105-M108 HydrophobicContact CD1-SD 3.69Å; F105-M108 HydrophobicContact CG-SD 4.37Å; F105-M108 PolarHBondContact O-N 3.15Å; F105-M108 VanDerWaalsContact O-N 3.15Å; F105-M113 HydrophobicContact CB-CB 3.96Å; F105-M113 HydrophobicContact CB-CG 3.54Å; F105-M113 HydrophobicContact CD2-CG 4.11Å; F105-M113 HydrophobicContact CG-CG 3.89Å; F105-E116 HydrophobicContact CD1-CB 4.24Å; F105-E116 HydrophobicContact CE1-CB 3.84Å; F105-K117 HydrophobicContact CE2-CG 4.09Å; F105-K117 HydrophobicContact CZ-CG 4.29Å; F105-V121 HydrophobicContact CE1-CG1 4.28Å; F105-P123 HydrophobicContact CE2-CG 4.2Å; F105-P123 HydrophobicContact CZ-CG 4.38Å
106	A	91.9	Very high	90.5	Very high	56 Å²	56	60.3 Å²	60.3	46%	0.463	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-22.6	179.4	0	0	0	0	0	114.1	L68 P103 P104	L68-A106 HydrophobicContact CD1-CB 4.29Å; P103-A106 HydrophobicContact CG-CB 4.18Å; P103-A106 VanDerWaalsContact O-CB 3.25Å; P103-A106 WeakPolarHBondContact O-CB 3.32Å; P103-A106 PolarHBondContact O-N 2.99Å; P104-A106 PolarHBondContact O-N 2.96Å
107	D	91.4	Very high	90.8	Very high	139 Å²	139	60.6 Å²	60.6	74%	0.743	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	1.5	179.8	62.9	-36.2	0	0	0	113.6	F105	F105-D107 PolarHBondContact O-N 3.35Å
108	M	93.4	Very high	90.9	Very high	65 Å²	65	62.6 Å²	62.6	32%	0.32	36%	0.358	S	S	.	.	S	Bend	trans	-107.2	150.5	-174.8	-62.7	-177.5	-176	0	0	112.4	F105 Q112 M113 E116	F105-M108 HydrophobicContact CB-SD 4.08Å; F105-M108 HydrophobicContact CD1-CE 4.08Å; F105-M108 HydrophobicContact CD1-SD 3.69Å; F105-M108 HydrophobicContact CG-SD 4.37Å; F105-M108 PolarHBondContact O-N 3.15Å; F105-M108 VanDerWaalsContact O-N 3.15Å; M108-Q112 HydrophobicContact CB-CB 3.97Å; M108-Q112 HydrophobicContact CG-CB 4.47Å; M108-M113 HydrophobicContact CB-CB 4.24Å; M108-E116 HydrophobicContact CE-CG 4.22Å; M108-E116 HydrophobicContact SD-CG 3.91Å
109	T	95.5	Very high	91.1	Very high	82 Å²	82	65.9 Å²	65.9	50%	0.503	37%	0.365	S	S	.	.			trans	-64.4	158.7	165.3	63.7	0	0	0	0	110.8	L111 Q112 M113	T109-L111 PolarHBondContact O-N 3.27Å; T109-Q112 PolarHBondContact O-N 3.49Å; T109-Q112 VanDerWaalsContact O-N 3.12Å; T109-Q112 WeakPolarHBondContact OG1-CB 3.38Å; T109-Q112 VanDerWaalsContact OG1-CD 3.26Å; T109-Q112 VanDerWaalsContact OG1-CG 3.26Å; T109-Q112 WeakPolarHBondContact OG1-CG 3.36Å; T109-Q112 PolarHBondContact OG1-N 2.82Å; T109-Q112 PolarHBondContact OG1-OE1 3.2Å; T109-M113 WeakPolarHBondContact O-CB 3.44Å; T109-M113 PolarHBondContact O-N 3.41Å
110	S	93.4	Very high	91.4	Very high	79 Å²	79	65.7 Å²	65.7	55%	0.552	37%	0.368	S	S	*	.	H	α-helix	trans	-56.8	-37.1	179.9	-52.1	0	0	0	0	113	F114	S110-F114 WeakPolarHBondContact O-CB 3.43Å; S110-F114 PolarHBondContact O-N 3.35Å
111	L	94.8	Very high	91.2	Very high	121 Å²	121	67 Å²	67	63%	0.634	38%	0.377	S	S	*	.	H	α-helix	trans	-69.1	-45.8	176.6	-179.4	60.8	0	0	0	111.7	T109 F114 M115	T109-L111 PolarHBondContact O-N 3.27Å; L111-F114 PolarHBondContact O-N 3.09Å; L111-M115 HydrophobicContact CD1-CG 4.29Å; L111-M115 VanDerWaalsContact O-CG 3.28Å; L111-M115 WeakPolarHBondContact O-CG 3.45Å; L111-M115 PolarHBondContact O-N 3.38Å
112	Q	95	Very high	90.7	Very high	103 Å²	103	66.8 Å²	66.8	48%	0.481	36%	0.362	S	S	.	.	H	α-helix	trans	-60	-49.2	177.3	-75.7	165.9	-39.4	0	0	111.4	M108 T109 F114 M115 E116	M108-Q112 HydrophobicContact CB-CB 3.97Å; M108-Q112 HydrophobicContact CG-CB 4.47Å; T109-Q112 PolarHBondContact O-N 3.49Å; T109-Q112 VanDerWaalsContact O-N 3.12Å; T109-Q112 WeakPolarHBondContact OG1-CB 3.38Å; T109-Q112 VanDerWaalsContact OG1-CD 3.26Å; T109-Q112 VanDerWaalsContact OG1-CG 3.26Å; T109-Q112 WeakPolarHBondContact OG1-CG 3.36Å; T109-Q112 PolarHBondContact OG1-N 2.82Å; T109-Q112 PolarHBondContact OG1-OE1 3.2Å; Q112-F114 VanDerWaalsContact C-N 3.3Å; Q112-F114 PolarHBondContact O-N 3.43Å; Q112-M115 PolarHBondContact O-N 3.44Å; Q112-E116 WeakPolarHBondContact O-CG 3.2Å; Q112-E116 PolarHBondContact O-N 3.48Å
113	M	93.9	Very high	89.8	Confident	5 Å²	5	62.7 Å²	62.7	3%	0.025	35%	0.346	C	S	.	.	H	α-helix	trans	-55.6	-45.6	175.9	173.5	-82.5	-63.1	0	0	111.4	L67 L68 L75 F105 M108 T109 E116 K117	L67-M113 HydrophobicContact CB-CE 3.83Å; L68-M113 HydrophobicContact CD2-CG 4.02Å; L75-M113 HydrophobicContact CD1-CE 4.27Å; L75-M113 HydrophobicContact CD1-SD 4.01Å; F105-M113 HydrophobicContact CB-CB 3.96Å; F105-M113 HydrophobicContact CB-CG 3.54Å; F105-M113 HydrophobicContact CD2-CG 4.11Å; F105-M113 HydrophobicContact CG-CG 3.89Å; M108-M113 HydrophobicContact CB-CB 4.24Å; T109-M113 WeakPolarHBondContact O-CB 3.44Å; T109-M113 PolarHBondContact O-N 3.41Å; M113-E116 PolarHBondContact O-N 2.83Å; M113-K117 HydrophobicContact CG-CD 4.5Å; M113-K117 WeakPolarHBondContact O-CG 3.25Å; M113-K117 PolarHBondContact O-N 3.28Å; M113-K117 HydrophobicContact SD-CD 3.45Å; M113-K117 WeakPolarHBondContact SD-CD 3.45Å; M113-K117 WeakPolarHBondContact SD-CE 3.3Å; M113-K117 HydrophobicContact SD-CG 4.12Å
114	F	93.5	Very high	88.8	Confident	56 Å²	56	71.4 Å²	71.4	25%	0.246	38%	0.376	C	S	.	.	H	α-helix	trans	-60.6	-47.3	177.7	178.4	-122.9	0	0	0	111.8	L75 Q76 S110 L111 Q112 E116 K117 L118	L75-F114 HydrophobicContact CB-CD2 3.76Å; L75-F114 HydrophobicContact CB-CE2 3.69Å; L75-F114 HydrophobicContact CD1-CD2 4.1Å; Q76-F114 HydrophobicContact CG-CE2 3.91Å; Q76-F114 HydrophobicContact CG-CZ 3.99Å; S110-F114 WeakPolarHBondContact O-CB 3.43Å; S110-F114 PolarHBondContact O-N 3.35Å; L111-F114 PolarHBondContact O-N 3.09Å; Q112-F114 VanDerWaalsContact C-N 3.3Å; Q112-F114 PolarHBondContact O-N 3.43Å; F114-E116 VanDerWaalsContact C-N 3.34Å; F114-E116 PolarHBondContact O-N 2.84Å; F114-K117 PolarHBondContact O-N 3.28Å; F114-L118 HydrophobicContact CD1-CD1 4.11Å; F114-L118 HydrophobicContact CD2-CG 4.3Å; F114-L118 HydrophobicContact CE1-CD1 3.62Å; F114-L118 HydrophobicContact CE1-CG 4.29Å; F114-L118 HydrophobicContact CE2-CD1 4.18Å; F114-L118 HydrophobicContact CE2-CD2 3.89Å; F114-L118 HydrophobicContact CE2-CG 3.98Å; F114-L118 HydrophobicContact CZ-CD1 3.66Å; F114-L118 HydrophobicContact CZ-CD2 3.98Å; F114-L118 HydrophobicContact CZ-CG 3.99Å; F114-L118 WeakPolarHBondContact O-CG 3.24Å; F114-L118 PolarHBondContact O-N 3.13Å
115	M	94	Very high	87.8	Confident	81 Å²	81	73.4 Å²	73.4	40%	0.399	39%	0.386	S	S	.	.	H	α-helix	trans	-61.2	-40.3	178.4	-67.2	-60.3	-73.4	0	0	112.5	L111 Q112 L118 R119	L111-M115 HydrophobicContact CD1-CG 4.29Å; L111-M115 VanDerWaalsContact O-CG 3.28Å; L111-M115 WeakPolarHBondContact O-CG 3.45Å; L111-M115 PolarHBondContact O-N 3.38Å; Q112-M115 PolarHBondContact O-N 3.44Å; M115-L118 PolarHBondContact O-N 3.37Å; M115-L118 HydrophobicContact SD-CD1 4.3Å; M115-R119 VanDerWaalsContact O-CG 3.27Å; M115-R119 WeakPolarHBondContact O-CG 3.2Å; M115-R119 PolarHBondContact O-N 3.49Å
116	E	92.4	Very high	86.4	Confident	43 Å²	43	77.7 Å²	77.7	20%	0.201	41%	0.409	C	S	.	.	H	α-helix	trans	-65.4	-40.1	175.4	-68.6	-56	119.4	0	0	112.1	F105 M108 Q112 M113 F114 R119 G120 V121	F105-E116 HydrophobicContact CD1-CB 4.24Å; F105-E116 HydrophobicContact CE1-CB 3.84Å; M108-E116 HydrophobicContact CE-CG 4.22Å; M108-E116 HydrophobicContact SD-CG 3.91Å; Q112-E116 WeakPolarHBondContact O-CG 3.2Å; Q112-E116 PolarHBondContact O-N 3.48Å; M113-E116 PolarHBondContact O-N 2.83Å; F114-E116 VanDerWaalsContact C-N 3.34Å; F114-E116 PolarHBondContact O-N 2.84Å; E116-R119 PolarHBondContact O-N 3.01Å; E116-R119 IonicContact OE1-CZ 3.71Å; E116-R119 IonicContact OE1-NH1 2.71Å; E116-R119 PolarHBondContact OE1-NH1 3.17Å; E116-G120 PolarHBondContact O-N 3.14Å; E116-V121 HydrophobicContact CB-CB 4.43Å; E116-V121 HydrophobicContact CB-CG2 4.46Å; E116-V121 WeakPolarHBondContact O-CB 3.25Å; E116-V121 PolarHBondContact O-N 3.41Å; E116-V121 VanDerWaalsContact O-N 3.11Å; E116-V121 WeakPolarHBondContact OE2-CG2 3.35Å
117	K	91.4	Very high	84.6	Confident	8 Å²	8	79.4 Å²	79.4	4%	0.035	41%	0.41	C	S	.	.	H	α-helix	trans	-63.1	-41.1	173.9	-72	-173.6	178.9	-174.9	0	112.1	L67 L68 L70 P72 L75 Y89 F105 M113 F114 G120	L67-K117 PolarHBondContact O-NZ 3.25Å; L68-K117 PolarHBondContact O-NZ 3.44Å; L70-K117 PolarHBondContact O-NZ 3.18Å; P72-K117 HydrophobicContact CB-CB 4.2Å; L75-K117 HydrophobicContact CD1-CD 3.7Å; Y89-K117 WeakPolarHBondContact OH-CD 3.34Å; Y89-K117 WeakPolarHBondContact OH-CE 3.18Å; F105-K117 HydrophobicContact CE2-CG 4.09Å; F105-K117 HydrophobicContact CZ-CG 4.29Å; M113-K117 HydrophobicContact CG-CD 4.5Å; M113-K117 WeakPolarHBondContact O-CG 3.25Å; M113-K117 PolarHBondContact O-N 3.28Å; M113-K117 HydrophobicContact SD-CD 3.45Å; M113-K117 WeakPolarHBondContact SD-CD 3.45Å; M113-K117 WeakPolarHBondContact SD-CE 3.3Å; M113-K117 HydrophobicContact SD-CG 4.12Å; F114-K117 PolarHBondContact O-N 3.28Å; K117-G120 PolarHBondContact O-N 3.44Å; K117-G120 VanDerWaalsContact O-N 3.09Å
118	L	90.4	Very high	82.5	Confident	71 Å²	71	75.1 Å²	75.1	37%	0.372	40%	0.399	S	S	.	.	H	α-helix	trans	-64.2	-38.2	175.5	-69.2	-175.8	0	0	0	112.7	Q76 F114 M115 G120	Q76-L118 HydrophobicContact CG-CD2 3.45Å; Q76-L118 VanDerWaalsContact CG-CD2 3.45Å; F114-L118 HydrophobicContact CD1-CD1 4.11Å; F114-L118 HydrophobicContact CD2-CG 4.3Å; F114-L118 HydrophobicContact CE1-CD1 3.62Å; F114-L118 HydrophobicContact CE1-CG 4.29Å; F114-L118 HydrophobicContact CE2-CD1 4.18Å; F114-L118 HydrophobicContact CE2-CD2 3.89Å; F114-L118 HydrophobicContact CE2-CG 3.98Å; F114-L118 HydrophobicContact CZ-CD1 3.66Å; F114-L118 HydrophobicContact CZ-CD2 3.98Å; F114-L118 HydrophobicContact CZ-CG 3.99Å; F114-L118 WeakPolarHBondContact O-CG 3.24Å; F114-L118 PolarHBondContact O-N 3.13Å; M115-L118 PolarHBondContact O-N 3.37Å; M115-L118 HydrophobicContact SD-CD1 4.3Å; L118-G120 PolarHBondContact O-N 3.05Å; L118-G120 VanDerWaalsContact O-N 3.14Å
119	R	90.6	Very high	80.1	Confident	172 Å²	172	80.3 Å²	80.3	65%	0.649	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-10.8	174	-72.3	167.8	179.2	176.6	-3.3	113	M115 E116 V121	M115-R119 VanDerWaalsContact O-CG 3.27Å; M115-R119 WeakPolarHBondContact O-CG 3.2Å; M115-R119 PolarHBondContact O-N 3.49Å; E116-R119 PolarHBondContact O-N 3.01Å; E116-R119 IonicContact OE1-CZ 3.71Å; E116-R119 IonicContact OE1-NH1 2.71Å; E116-R119 PolarHBondContact OE1-NH1 3.17Å; R119-V121 HydrophobicContact CB-CG2 4.3Å
120	G	86.2	Confident	77.5	Confident	49 Å²	49	80.9 Å²	80.9	51%	0.505	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	77	26.2	-179.1	0	0	0	0	0	112.7	E116 K117 L118 T122	E116-G120 PolarHBondContact O-N 3.14Å; K117-G120 PolarHBondContact O-N 3.44Å; K117-G120 VanDerWaalsContact O-N 3.09Å; L118-G120 PolarHBondContact O-N 3.05Å; L118-G120 VanDerWaalsContact O-N 3.14Å; G120-T122 PolarHBondContact O-N 2.91Å; G120-T122 VanDerWaalsContact O-N 3.11Å
121	V	80.2	Confident	75.1	Confident	62 Å²	62	80.3 Å²	80.3	38%	0.376	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-62.5	116.2	173.8	175.5	0	0	0	0	109.2	F105 E116 R119 P123	F105-V121 HydrophobicContact CE1-CG1 4.28Å; E116-V121 HydrophobicContact CB-CB 4.43Å; E116-V121 HydrophobicContact CB-CG2 4.46Å; E116-V121 WeakPolarHBondContact O-CB 3.25Å; E116-V121 PolarHBondContact O-N 3.41Å; E116-V121 VanDerWaalsContact O-N 3.11Å; E116-V121 WeakPolarHBondContact OE2-CG2 3.35Å; R119-V121 HydrophobicContact CB-CG2 4.3Å; V121-P123 WeakPolarHBondContact O-CD 3.2Å
122	T	74.6	Confident	72.3	Confident	64 Å²	64	79 Å²	79	39%	0.393	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-84.2	121.6	176.4	53.1	0	0	0	0	109	G120 R124 M152	G120-T122 PolarHBondContact O-N 2.91Å; G120-T122 VanDerWaalsContact O-N 3.11Å; T122-R124 PolarHBondContact O-N 2.8Å; T122-M152 HydrophobicContact CG2-SD 4.29Å
123	P	71.4	Confident	69.7	Low	15 Å²	15	79 Å²	79	10%	0.097	43%	0.432	C	S	.	.	P	Polyproline II helix	trans	-51.1	138.1	172.6	-25.4	32.2	0	0	0	112	I93 P104 F105 V121 M152	I93-P123 HydrophobicContact CD1-CG 3.52Å; P104-P123 HydrophobicContact CB-CB 3.79Å; P104-P123 HydrophobicContact CB-CG 3.95Å; P104-P123 HydrophobicContact CG-CB 3.44Å; P104-P123 VanDerWaalsContact CG-CB 3.44Å; P104-P123 HydrophobicContact CG-CG 3.91Å; F105-P123 HydrophobicContact CE2-CG 4.2Å; F105-P123 HydrophobicContact CZ-CG 4.38Å; V121-P123 WeakPolarHBondContact O-CD 3.2Å; P123-M152 VanDerWaalsContact O-SD 3.36Å
124	R	67.7	Low	67.1	Low	200 Å²	200	85.8 Å²	85.8	76%	0.755	46%	0.461	S	S	*	.			trans	-113.9	147	177	-59.8	-171.5	-175.7	-170	3.4	109.6	N100 T122 L126	N100-R124 PolarHBondContact ND2-O 3.09Å; T122-R124 PolarHBondContact O-N 2.8Å; R124-L126 PolarHBondContact O-N 3.46Å
125	L	69.8	Low	64.4	Low	55 Å²	55	90.4 Å²	90.4	29%	0.288	49%	0.494	S	S	.	.			trans	-66	124.7	164.5	-62.6	177.7	0	0	0	107.3	A99 D127	A99-L125 HydrophobicContact CB-CD2 3.46Å; A99-L125 VanDerWaalsContact CB-CD2 3.46Å; L125-D127 VanDerWaalsContact C-N 3.28Å; L125-D127 PolarHBondContact O-N 3.43Å
126	L	62.2	Low	61.9	Low	105 Å²	105	92 Å²	92	55%	0.55	50%	0.499	S	S	.	.	S	Bend	trans	-71.3	-27.5	-171.8	-74.2	169.2	0	0	0	112.1	N100 F102 R124	N100-L126 HydrophobicContact CB-CD1 4.24Å; N100-L126 PolarHBondContact OD1-N 3.19Å; F102-L126 HydrophobicContact CE1-CD1 3.86Å; F102-L126 HydrophobicContact CE2-CD1 3.54Å; F102-L126 HydrophobicContact CZ-CD1 3.05Å; R124-L126 PolarHBondContact O-N 3.46Å
127	D	54	Low	59.4	Low	92 Å²	92	92.8 Å²	92.8	49%	0.492	51%	0.509	S	S	.	.			trans	-141.7	113.6	175.8	-87.8	-46.6	0	0	0	112.6	L125 K129 T130	L125-D127 VanDerWaalsContact C-N 3.28Å; L125-D127 PolarHBondContact O-N 3.43Å; D127-K129 PolarHBondContact O-N 3.32Å; D127-T130 WeakPolarHBondContact CB-OG1 3.41Å
128	G	48.5	Very low	57.1	Low	50 Å²	50	96.1 Å²	96.1	52%	0.515	54%	0.539	S	S	.	.	S	Bend	trans	-72.6	-2.1	157.2	0	0	0	0	0	113.2
129	K	42.6	Very low	54.9	Low	174 Å²	174	95.5 Å²	95.5	76%	0.757	54%	0.544	S	S	*	.	S	Bend	trans	-101.2	-26.7	-172.2	-66.1	-172.6	-178.6	-177.1	0	114.3	D127 L131 A132	D127-K129 PolarHBondContact O-N 3.32Å; K129-L131 PolarHBondContact O-N 2.9Å; K129-A132 WeakPolarHBondContact O-CB 3.49Å; K129-A132 PolarHBondContact O-N 3.42Å
130	T	41.9	Very low	52.7	Low	94 Å²	94	91.3 Å²	91.3	58%	0.577	53%	0.534	S	S	*	.	G	3₁₀ helix	trans	-70.9	-11.8	179.8	-17.3	0	0	0	0	113.3	D127 A132	D127-T130 WeakPolarHBondContact CB-OG1 3.41Å; T130-A132 VanDerWaalsContact C-N 3.28Å
131	L	41.5	Very low	50.6	Low	66 Å²	66	90.6 Å²	90.6	35%	0.346	52%	0.518	S	S	.	.	G	3₁₀ helix	trans	-79.6	-8.6	172.3	-77.2	161.2	0	0	0	113.8	K129 L141	K129-L131 PolarHBondContact O-N 2.9Å; L131-L141 HydrophobicContact CB-CD1 3.67Å; L131-L141 HydrophobicContact CD1-CD1 3.9Å; L131-L141 HydrophobicContact CD1-CD2 3.7Å; L131-L141 HydrophobicContact CD1-CG 4.27Å; L131-L141 HydrophobicContact CD2-CD1 3.72Å; L131-L141 HydrophobicContact CD2-CD2 3.12Å; L131-L141 HydrophobicContact CD2-CG 3.98Å; L131-L141 HydrophobicContact CG-CD1 3.92Å; L131-L141 HydrophobicContact CG-CD2 3.91Å
132	A	36.3	Very low	48.8	Very low	94 Å²	94	92.3 Å²	92.3	78%	0.777	52%	0.523	S	S	*	.	G	3₁₀ helix	trans	-84.8	-11.6	178.8	0	0	0	0	0	113.9	K129 T130	K129-A132 WeakPolarHBondContact O-CB 3.49Å; K129-A132 PolarHBondContact O-N 3.42Å; T130-A132 VanDerWaalsContact C-N 3.28Å
133	S	40.5	Very low	47.2	Very low	102 Å²	102	90.8 Å²	90.8	71%	0.713	51%	0.513	S	S	*	.	S	Bend	trans	-103	1.1	-171.1	99.3	0	0	0	0	115.2
134	K	39.5	Very low	45.6	Very low	149 Å²	149	93 Å²	93	65%	0.648	52%	0.524	S	S	*	.	S	Bend	trans	-133.9	132.4	168.1	-73.1	-177.8	178.4	178.4	0	106.1	F136	K134-F136 HydrophobicContact CB-CD2 3.87Å; K134-F136 HydrophobicContact CB-CE2 3.73Å; K134-F136 HydrophobicContact CD-CE2 4.43Å; K134-F136 PolarHBondContact O-N 2.71Å
135	T	36.2	Very low	44.1	Very low	153 Å²	153	89.6 Å²	89.6	94%	0.939	51%	0.511	S	S	*	.			trans	-58.2	77.1	177.3	37.7	0	0	0	0	110.9
136	F	42.2	Very low	42.7	Very low	114 Å²	114	90.4 Å²	90.4	50%	0.5	52%	0.515	S	S	.	.			trans	-97.3	126.8	160.3	-72	-77.1	0	0	0	105.9	K134 D140 L141	K134-F136 HydrophobicContact CB-CD2 3.87Å; K134-F136 HydrophobicContact CB-CE2 3.73Å; K134-F136 HydrophobicContact CD-CE2 4.43Å; K134-F136 PolarHBondContact O-N 2.71Å; F136-D140 HydrophobicContact CB-CB 4.25Å; F136-D140 HydrophobicContact CD1-CB 4.26Å; F136-L141 HydrophobicContact CB-CD1 4.5Å
137	S	39.9	Very low	41.7	Very low	59 Å²	59	87 Å²	87	41%	0.413	50%	0.497	S	S	.	.			trans	-61.6	152.1	176.3	74.2	0	0	0	0	109.1	A139 D140	S137-A139 PolarHBondContact O-N 2.99Å; S137-A139 PolarHBondContact OG-N 3.31Å; S137-D140 WeakPolarHBondContact CB-OD2 3.18Å; S137-D140 PolarHBondContact N-OD2 3.45Å; S137-D140 PolarHBondContact O-N 3.11Å; S137-D140 PolarHBondContact OG-N 3.11Å; S137-D140 PolarHBondContact OG-OD1 3.33Å; S137-D140 PolarHBondContact OG-OD2 3.45Å
138	A	43.4	Very low	41	Very low	79 Å²	79	83 Å²	83	65%	0.653	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-16.2	174.4	0	0	0	0	0	113.1	Q142	A138-Q142 WeakPolarHBondContact O-CG 3.4Å; A138-Q142 PolarHBondContact O-NE2 3.14Å
139	A	44.1	Very low	40.3	Very low	58 Å²	58	84.8 Å²	84.8	48%	0.479	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-27.3	174.5	0	0	0	0	0	113.7	S137 L141 P143	S137-A139 PolarHBondContact O-N 2.99Å; S137-A139 PolarHBondContact OG-N 3.31Å; A139-L141 PolarHBondContact O-N 3.4Å; A139-P143 WeakPolarHBondContact O-CD 3.06Å
140	D	43.7	Very low	40	Very low	84 Å²	84	83.8 Å²	83.8	45%	0.449	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-18.1	-177.2	-58.5	-38.7	0	0	0	112.2	F136 S137 P143	F136-D140 HydrophobicContact CB-CB 4.25Å; F136-D140 HydrophobicContact CD1-CB 4.26Å; S137-D140 WeakPolarHBondContact CB-OD2 3.18Å; S137-D140 PolarHBondContact N-OD2 3.45Å; S137-D140 PolarHBondContact O-N 3.11Å; S137-D140 PolarHBondContact OG-N 3.11Å; S137-D140 PolarHBondContact OG-OD1 3.33Å; S137-D140 PolarHBondContact OG-OD2 3.45Å; D140-P143 WeakPolarHBondContact O-CD 3.27Å
141	L	43.3	Very low	40	Very low	33 Å²	33	80.4 Å²	80.4	17%	0.173	45%	0.451	C	S	.	.	S	Bend	trans	-107.3	-13.7	-173.5	-57.4	171.7	0	0	0	114.4	L131 F136 A139 P143 R145	L131-L141 HydrophobicContact CB-CD1 3.67Å; L131-L141 HydrophobicContact CD1-CD1 3.9Å; L131-L141 HydrophobicContact CD1-CD2 3.7Å; L131-L141 HydrophobicContact CD1-CG 4.27Å; L131-L141 HydrophobicContact CD2-CD1 3.72Å; L131-L141 HydrophobicContact CD2-CD2 3.12Å; L131-L141 HydrophobicContact CD2-CG 3.98Å; L131-L141 HydrophobicContact CG-CD1 3.92Å; L131-L141 HydrophobicContact CG-CD2 3.91Å; F136-L141 HydrophobicContact CB-CD1 4.5Å; A139-L141 PolarHBondContact O-N 3.4Å; L141-P143 VanDerWaalsContact C-CD 3.41Å; L141-P143 VanDerWaalsContact C-N 3.33Å; L141-R145 PolarHBondContact O-N 2.89Å
142	Q	42	Very low	39.8	Very low	99 Å²	99	79.6 Å²	79.6	46%	0.463	45%	0.446	S	S	.	.	H	α-helix	trans	-55	-45.6	170.7	-63	-59.2	-42.4	0	0	111.8	A138 L144 R145 I146	A138-Q142 WeakPolarHBondContact O-CG 3.4Å; A138-Q142 PolarHBondContact O-NE2 3.14Å; Q142-L144 PolarHBondContact O-N 3.48Å; Q142-R145 PolarHBondContact O-N 3.41Å; Q142-I146 HydrophobicContact CB-CD1 3.96Å; Q142-I146 WeakPolarHBondContact O-CB 3.06Å; Q142-I146 WeakPolarHBondContact O-CD1 3.5Å; Q142-I146 WeakPolarHBondContact O-CG1 3.47Å; Q142-I146 PolarHBondContact O-N 2.93Å
143	P	40.1	Very low	40.1	Very low	31 Å²	31	81.9 Å²	81.9	20%	0.201	44%	0.439	C	S	.	.	H	α-helix	trans	-65.7	-42.8	-171.2	-24.1	37.5	0	0	0	113	V4 A139 D140 L141 I146 I147	V4-P143 HydrophobicContact CB-CB 3.63Å; V4-P143 HydrophobicContact CG1-CB 3.91Å; V4-P143 HydrophobicContact CG2-CB 3.26Å; V4-P143 HydrophobicContact CG2-CG 4.42Å; A139-P143 WeakPolarHBondContact O-CD 3.06Å; D140-P143 WeakPolarHBondContact O-CD 3.27Å; L141-P143 VanDerWaalsContact C-CD 3.41Å; L141-P143 VanDerWaalsContact C-N 3.33Å; P143-I146 PolarHBondContact O-N 3.11Å; P143-I147 VanDerWaalsContact O-CG1 3.25Å; P143-I147 WeakPolarHBondContact O-CG1 3.31Å; P143-I147 PolarHBondContact O-N 2.81Å
144	L	39.3	Very low	39.9	Very low	62 Å²	62	79.2 Å²	79.2	33%	0.325	43%	0.427	S	S	.	.	H	α-helix	trans	-69	-41.3	178.8	-72.3	167.7	0	0	0	112.4	Q142 I146 S148	Q142-L144 PolarHBondContact O-N 3.48Å; L144-I146 VanDerWaalsContact C-N 3.34Å; L144-S148 WeakPolarHBondContact O-CB 3.22Å; L144-S148 PolarHBondContact O-N 2.82Å; L144-S148 VanDerWaalsContact O-N 3.09Å
145	R	36.2	Very low	39.9	Very low	128 Å²	128	76.8 Å²	76.8	48%	0.483	41%	0.414	S	S	.	.	H	α-helix	trans	-63.5	-39.5	171.9	-87.8	-179.7	167.7	173.2	-1.5	111.7	L141 Q142 L149	L141-R145 PolarHBondContact O-N 2.89Å; Q142-R145 PolarHBondContact O-N 3.41Å; R145-L149 WeakPolarHBondContact O-CB 3.4Å; R145-L149 WeakPolarHBondContact O-CD1 3.17Å; R145-L149 WeakPolarHBondContact O-CG 3.16Å; R145-L149 PolarHBondContact O-N 3.37Å
146	I	39.1	Very low	39.9	Very low	72 Å²	72	77.9 Å²	77.9	37%	0.369	41%	0.406	S	S	.	.	H	α-helix	trans	-69.9	-43.2	-179.5	-71.1	165.7	0	0	0	111.5	Q142 P143 L144 K150	Q142-I146 HydrophobicContact CB-CD1 3.96Å; Q142-I146 WeakPolarHBondContact O-CB 3.06Å; Q142-I146 WeakPolarHBondContact O-CD1 3.5Å; Q142-I146 WeakPolarHBondContact O-CG1 3.47Å; Q142-I146 PolarHBondContact O-N 2.93Å; P143-I146 PolarHBondContact O-N 3.11Å; L144-I146 VanDerWaalsContact C-N 3.34Å; I146-K150 HydrophobicContact CG2-CD 3.7Å; I146-K150 HydrophobicContact CG2-CG 4.16Å; I146-K150 WeakPolarHBondContact O-CB 3.23Å; I146-K150 WeakPolarHBondContact O-CG 3.23Å; I146-K150 PolarHBondContact O-N 3.32Å
147	I	41	Very low	39.3	Very low	34 Å²	34	78.2 Å²	78.2	17%	0.174	42%	0.417	C	S	.	.	H	α-helix	trans	-62.8	-49.4	176.2	-64.5	161.7	0	0	0	110	V4 V91 P143 L149 K150 A151	V4-I147 HydrophobicContact CB-CD1 3.99Å; V4-I147 HydrophobicContact CG1-CD1 3.21Å; V4-I147 HydrophobicContact CG1-CG1 3.6Å; V4-I147 HydrophobicContact CG2-CD1 3.66Å; V91-I147 HydrophobicContact CG1-CG2 4.27Å; P143-I147 VanDerWaalsContact O-CG1 3.25Å; P143-I147 WeakPolarHBondContact O-CG1 3.31Å; P143-I147 PolarHBondContact O-N 2.81Å; I147-L149 PolarHBondContact O-N 3.28Å; I147-K150 PolarHBondContact O-N 2.75Å; I147-A151 WeakPolarHBondContact O-CB 3.13Å; I147-A151 PolarHBondContact O-N 2.81Å
148	S	40	Very low	38.7	Very low	8 Å²	8	81.5 Å²	81.5	6%	0.056	43%	0.429	C	S	.	.	H	α-helix	trans	-59.1	-48.7	179.9	-168.7	0	0	0	0	110.4	L144 M152	L144-S148 WeakPolarHBondContact O-CB 3.22Å; L144-S148 PolarHBondContact O-N 2.82Å; L144-S148 VanDerWaalsContact O-N 3.09Å; S148-M152 VanDerWaalsContact O-CB 3.31Å; S148-M152 WeakPolarHBondContact O-CB 3.32Å; S148-M152 WeakPolarHBondContact O-CE 3.37Å; S148-M152 VanDerWaalsContact O-CG 3.23Å; S148-M152 WeakPolarHBondContact O-CG 3.05Å; S148-M152 PolarHBondContact O-N 3.47Å; S148-M152 WeakPolarHBondContact OG-CE 3.43Å
149	L	33.2	Very low	37.9	Very low	88 Å²	88	86.7 Å²	86.7	46%	0.461	44%	0.437	S	S	.	.	H	α-helix	trans	-71.5	-36.1	179.7	-70.5	167.7	0	0	0	113.9	R145 I147 K153	R145-L149 WeakPolarHBondContact O-CB 3.4Å; R145-L149 WeakPolarHBondContact O-CD1 3.17Å; R145-L149 WeakPolarHBondContact O-CG 3.16Å; R145-L149 PolarHBondContact O-N 3.37Å; I147-L149 PolarHBondContact O-N 3.28Å; L149-K153 WeakPolarHBondContact O-CB 2.97Å; L149-K153 VanDerWaalsContact O-CG 3.23Å; L149-K153 WeakPolarHBondContact O-CG 3.33Å; L149-K153 PolarHBondContact O-N 3.44Å
150	K	36.6	Very low	36.8	Very low	152 Å²	152	91.8 Å²	91.8	66%	0.661	46%	0.455	S	S	*	.	H	α-helix	trans	-75.3	-42.2	179.2	-76.9	-176.5	177.1	179.3	0	112.1	I146 I147 M152 K153 G154	I146-K150 HydrophobicContact CG2-CD 3.7Å; I146-K150 HydrophobicContact CG2-CG 4.16Å; I146-K150 WeakPolarHBondContact O-CB 3.23Å; I146-K150 WeakPolarHBondContact O-CG 3.23Å; I146-K150 PolarHBondContact O-N 3.32Å; I147-K150 PolarHBondContact O-N 2.75Å; K150-M152 PolarHBondContact O-N 2.89Å; K150-K153 PolarHBondContact O-N 2.91Å; K150-G154 PolarHBondContact O-N 3.39Å
151	A	41.9	Very low	36	Very low	24 Å²	24	98.8 Å²	98.8	20%	0.198	49%	0.492	C	S	.	.	H	α-helix	trans	-61.6	-35.4	174.9	0	0	0	0	0	111.5	I88 I147	I88-A151 HydrophobicContact CG2-CB 4.25Å; I147-A151 WeakPolarHBondContact O-CB 3.13Å; I147-A151 PolarHBondContact O-N 2.81Å
152	M	37.7	Very low	35.6	Very low	49 Å²	49	102.1 Å²	102.1	24%	0.241	51%	0.508	C	S	.	.	H	α-helix	trans	-84	-36.8	177.7	-67.9	-170.2	-78.5	0	0	114.3	T122 P123 S148 K150 R155	T122-M152 HydrophobicContact CG2-SD 4.29Å; P123-M152 VanDerWaalsContact O-SD 3.36Å; S148-M152 VanDerWaalsContact O-CB 3.31Å; S148-M152 WeakPolarHBondContact O-CB 3.32Å; S148-M152 WeakPolarHBondContact O-CE 3.37Å; S148-M152 VanDerWaalsContact O-CG 3.23Å; S148-M152 WeakPolarHBondContact O-CG 3.05Å; S148-M152 PolarHBondContact O-N 3.47Å; S148-M152 WeakPolarHBondContact OG-CE 3.43Å; K150-M152 PolarHBondContact O-N 2.89Å; M152-R155 PolarHBondContact O-N 3.06Å
153	K	41.4	Very low	35.3	Very low	142 Å²	142	102.3 Å²	102.3	62%	0.617	51%	0.51	S	S	*	.	H	α-helix	trans	-72.3	-31.3	177.5	-78.2	-179.8	176.9	-176.9	0	112.9	L149 K150 R155 K156	L149-K153 WeakPolarHBondContact O-CB 2.97Å; L149-K153 VanDerWaalsContact O-CG 3.23Å; L149-K153 WeakPolarHBondContact O-CG 3.33Å; L149-K153 PolarHBondContact O-N 3.44Å; K150-K153 PolarHBondContact O-N 2.91Å; K153-R155 PolarHBondContact O-N 3.18Å; K153-K156 PolarHBondContact O-N 3.45Å; K153-K156 VanDerWaalsContact O-N 3.11Å
154	G	37.2	Very low	35	Very low	45 Å²	45	106.2 Å²	106.2	46%	0.464	53%	0.527	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-13.5	175.5	0	0	0	0	0	114.7	K150	K150-G154 PolarHBondContact O-N 3.39Å
155	R	39.5	Very low	34.8	Very low	98 Å²	98	108.8 Å²	108.8	37%	0.37	54%	0.539	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-15.1	176.4	-71.8	-176.2	171.1	-149.9	-11.6	114.5	E73 M152 K153 T157	E73-R155 IonicContact OE1-NH2 3.12Å; E73-R155 PolarHBondContact OE1-NH2 2.67Å; E73-R155 IonicContact OE2-NH2 3.25Å; M152-R155 PolarHBondContact O-N 3.06Å; K153-R155 PolarHBondContact O-N 3.18Å; R155-T157 VanDerWaalsContact C-N 3.32Å
156	K	36.6	Very low	34.7	Very low	177 Å²	177	107.6 Å²	107.6	77%	0.77	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-15.2	176.7	-74.8	-167.4	176.2	-172	0	113.5	K153	K153-K156 PolarHBondContact O-N 3.45Å; K153-K156 VanDerWaalsContact O-N 3.11Å
157	T	28.4	Very low	34.4	Very low	120 Å²	120	110 Å²	110	74%	0.736	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.7	-5.7	-178.5	-43	0	0	0	0	113.6	R155	R155-T157 VanDerWaalsContact C-N 3.32Å
158	L	27.4	Very low	33.9	Very low	128 Å²	128	115.4 Å²	115.4	67%	0.67	58%	0.581	S	S	*	*	S	Bend	trans	-104.3	15.4	179.4	-86.6	157.4	0	0	0	113.9
159	K	26.9	Very low	33.5	Very low	189 Å²	189	123.7 Å²	123.7	82%	0.822	62%	0.622	S	S	*	*	S	Bend	trans	-103	22.6	174.3	-93.7	-169.5	173.9	-172.6	0	113.4
160	L	22.3	Very low	33.5	Very low	164 Å²	164	126.7 Å²	126.7	86%	0.859	64%	0.635	S	S	*	*			trans	-143	51.1	177.5	-143.2	102.9	0	0	0	111.5
161	L	25.9	Very low	33.2	Very low	232 Å²	232	124.4 Å²	124.4	100%	1.215	63%	0.633	S	S	*	*			trans	-161.4	0	161.6	-90.8	172.9	0	0	0	106.9

Retrieved 161 of 161 residues in 73.7 ms (Link to these results)

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