A0A077ZPM6_TRITR Loading...

Gammaproteobacterial periplasmic sensor domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZPM6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 177 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	50.6	Low	70.8	Confident	226 Å²	226	103.6 Å²	103.6	100%	1.113	54%	0.537	S	S	*	.				0	104.6	0	-94.1	175.2	161.8	0	0	110.6
2	R	63.7	Low	71.6	Confident	185 Å²	185	102.6 Å²	102.6	70%	0.698	54%	0.539	S	S	*	.			trans	21.4	103	160.3	-81.9	173.7	152.9	171.2	-9.8	117.2	T4 T5 K6	R2-T4 PolarHBondContact O-N 3.31Å; R2-T4 VanDerWaalsContact O-N 3.07Å; R2-T5 WeakPolarHBondContact CB-OG1 3.32Å; R2-T5 WeakPolarHBondContact CD-OG1 3.35Å; R2-T5 PolarHBondContact O-N 3.25Å; R2-K6 PolarHBondContact O-N 2.88Å
3	L	62	Low	72.3	Confident	89 Å²	89	102 Å²	102	47%	0.466	54%	0.536	S	S	.	.	H	α-helix	trans	-41.4	-40.7	156.8	-172.9	87.3	0	0	0	110.8	T5 K6 F7 Q165	L3-T5 PolarHBondContact O-N 3.43Å; L3-K6 PolarHBondContact O-N 3.07Å; L3-F7 VanDerWaalsContact O-CB 3.3Å; L3-F7 WeakPolarHBondContact O-CB 3.4Å; L3-F7 PolarHBondContact O-N 3.11Å; L3-Q165 HydrophobicContact CD1-CG 4.06Å; L3-Q165 VanDerWaalsContact CD2-NE2 3.32Å
4	T	69.3	Low	73.1	Confident	98 Å²	98	100.4 Å²	100.4	60%	0.601	53%	0.527	S	S	*	.	H	α-helix	trans	-59.4	-39.4	176.1	-39	0	0	0	0	114.3	R2 S8	R2-T4 PolarHBondContact O-N 3.31Å; R2-T4 VanDerWaalsContact O-N 3.07Å; T4-S8 VanDerWaalsContact O-CB 3.28Å; T4-S8 WeakPolarHBondContact O-CB 3.43Å; T4-S8 PolarHBondContact O-N 3.41Å
5	T	73.1	Confident	73.9	Confident	80 Å²	80	98.5 Å²	98.5	49%	0.491	52%	0.522	S	S	.	.	H	α-helix	trans	-71.8	-40	179	-59.5	0	0	0	0	110.5	R2 L3 S8 A9	R2-T5 WeakPolarHBondContact CB-OG1 3.32Å; R2-T5 WeakPolarHBondContact CD-OG1 3.35Å; R2-T5 PolarHBondContact O-N 3.25Å; L3-T5 PolarHBondContact O-N 3.43Å; T5-S8 PolarHBondContact O-N 3.04Å; T5-A9 PolarHBondContact O-N 3.44Å
6	K	70.1	Confident	74.5	Confident	103 Å²	103	94.7 Å²	94.7	45%	0.448	51%	0.513	S	S	.	.	H	α-helix	trans	-66.6	-42.3	176	-70.3	-172.1	-176.7	-179.5	0	111.5	R2 L3 A9 F10 W157	R2-K6 PolarHBondContact O-N 2.88Å; L3-K6 PolarHBondContact O-N 3.07Å; K6-A9 PolarHBondContact O-N 3.41Å; K6-F10 PolarHBondContact O-N 2.83Å; K6-F10 VanDerWaalsContact O-N 3.07Å; K6-W157 HydrophobicContact CB-CH2 4.14Å; K6-W157 HydrophobicContact CB-CZ2 3.88Å; K6-W157 VanDerWaalsContact O-CH2 3.31Å; K6-W157 WeakPolarHBondContact O-CH2 3.2Å; K6-W157 WeakPolarHBondContact O-CZ2 3.48Å
7	F	76.6	Confident	74.8	Confident	124 Å²	124	90.8 Å²	90.8	54%	0.544	49%	0.491	S	S	.	.	H	α-helix	trans	-64.3	-43.9	174.4	-176.4	-101.2	0	0	0	111.8	L3 A9 F10 V11	L3-F7 VanDerWaalsContact O-CB 3.3Å; L3-F7 WeakPolarHBondContact O-CB 3.4Å; L3-F7 PolarHBondContact O-N 3.11Å; F7-A9 VanDerWaalsContact C-N 3.33Å; F7-A9 PolarHBondContact O-N 3.35Å; F7-F10 WeakPolarHBondContact O-CB 3.43Å; F7-F10 PolarHBondContact O-N 3.24Å; F7-F10 VanDerWaalsContact O-N 3.15Å; F7-V11 HydrophobicContact CD1-CG2 4.11Å; F7-V11 HydrophobicContact CE1-CG2 3.71Å; F7-V11 HydrophobicContact CE2-CG2 4.41Å; F7-V11 HydrophobicContact CZ-CG2 3.87Å; F7-V11 WeakPolarHBondContact O-CG2 3.45Å; F7-V11 PolarHBondContact O-N 2.88Å
8	S	76.6	Confident	75.4	Confident	68 Å²	68	89.8 Å²	89.8	48%	0.476	49%	0.489	S	S	.	.	H	α-helix	trans	-59	-44.2	175	-174.5	0	0	0	0	111.6	T4 T5 F10 V11 T12	T4-S8 VanDerWaalsContact O-CB 3.28Å; T4-S8 WeakPolarHBondContact O-CB 3.43Å; T4-S8 PolarHBondContact O-N 3.41Å; T5-S8 PolarHBondContact O-N 3.04Å; S8-F10 VanDerWaalsContact C-N 3.3Å; S8-F10 PolarHBondContact O-N 3.44Å; S8-V11 PolarHBondContact O-N 3.11Å; S8-T12 PolarHBondContact O-N 3.2Å; S8-T12 PolarHBondContact O-OG1 2.91Å
9	A	77.6	Confident	75.9	Confident	60 Å²	60	90.4 Å²	90.4	50%	0.496	49%	0.491	S	S	.	.	H	α-helix	trans	-62.1	-38.6	176.7	0	0	0	0	0	112.2	T5 K6 F7 T12 L13	T5-A9 PolarHBondContact O-N 3.44Å; K6-A9 PolarHBondContact O-N 3.41Å; F7-A9 VanDerWaalsContact C-N 3.33Å; F7-A9 PolarHBondContact O-N 3.35Å; A9-T12 PolarHBondContact O-N 3.4Å; A9-L13 WeakPolarHBondContact O-CB 3.25Å; A9-L13 PolarHBondContact O-N 3.14Å
10	F	78.9	Confident	76.1	Confident	43 Å²	43	91 Å²	91	19%	0.189	49%	0.488	C	S	.	.	H	α-helix	trans	-63.9	-45.9	175.2	177.7	-102.7	0	0	0	112.2	K6 F7 S8 L13 L14 A154 W157	K6-F10 PolarHBondContact O-N 2.83Å; K6-F10 VanDerWaalsContact O-N 3.07Å; F7-F10 WeakPolarHBondContact O-CB 3.43Å; F7-F10 PolarHBondContact O-N 3.24Å; F7-F10 VanDerWaalsContact O-N 3.15Å; S8-F10 VanDerWaalsContact C-N 3.3Å; S8-F10 PolarHBondContact O-N 3.44Å; F10-L13 PolarHBondContact O-N 3.3Å; F10-L14 HydrophobicContact CE1-CD1 4.4Å; F10-L14 HydrophobicContact CZ-CD1 4.29Å; F10-L14 PolarHBondContact O-N 3.46Å; F10-A154 HydrophobicContact CE2-CB 3.48Å; F10-A154 VanDerWaalsContact CE2-CB 3.48Å; F10-A154 HydrophobicContact CZ-CB 3.61Å; F10-W157 HydrophobicContact CB-CE3 4.22Å; F10-W157 HydrophobicContact CB-CH2 3.73Å; F10-W157 HydrophobicContact CB-CZ2 4.34Å; F10-W157 HydrophobicContact CB-CZ3 3.65Å; F10-W157 HydrophobicContact CD1-CZ3 4.31Å; F10-W157 HydrophobicContact CD2-CD2 4.29Å; F10-W157 AromaticContact CD2-CE3 3.73Å; F10-W157 HydrophobicContact CD2-CE3 3.73Å; F10-W157 AromaticContact CD2-CZ3 3.99Å; F10-W157 HydrophobicContact CD2-CZ3 3.99Å; F10-W157 HydrophobicContact CE2-CE3 4.34Å; F10-W157 AromaticContact CG-CE3 3.95Å; F10-W157 HydrophobicContact CG-CE3 3.95Å; F10-W157 HydrophobicContact CG-CH2 4.3Å; F10-W157 AromaticContact CG-CZ3 3.7Å; F10-W157 HydrophobicContact CG-CZ3 3.7Å
11	V	80.2	Confident	76.5	Confident	64 Å²	64	88.7 Å²	88.7	39%	0.388	48%	0.478	S	S	.	.	H	α-helix	trans	-61.8	-45.4	175.8	174.1	0	0	0	0	110.8	F7 S8 L13 L14 T15	F7-V11 HydrophobicContact CD1-CG2 4.11Å; F7-V11 HydrophobicContact CE1-CG2 3.71Å; F7-V11 HydrophobicContact CE2-CG2 4.41Å; F7-V11 HydrophobicContact CZ-CG2 3.87Å; F7-V11 WeakPolarHBondContact O-CG2 3.45Å; F7-V11 PolarHBondContact O-N 2.88Å; S8-V11 PolarHBondContact O-N 3.11Å; V11-L13 VanDerWaalsContact C-N 3.31Å; V11-L13 PolarHBondContact O-N 3.16Å; V11-L14 PolarHBondContact O-N 2.95Å; V11-L14 VanDerWaalsContact O-N 3.13Å; V11-T15 PolarHBondContact O-N 3.41Å; V11-T15 PolarHBondContact O-OG1 3.07Å
12	T	80.4	Confident	78.1	Confident	91 Å²	91	81.7 Å²	81.7	56%	0.558	45%	0.448	S	S	*	.	H	α-helix	trans	-60.4	-40.4	177.8	-55.7	0	0	0	0	112.2	S8 A9 L14 T15 G16	S8-T12 PolarHBondContact O-N 3.2Å; S8-T12 PolarHBondContact O-OG1 2.91Å; A9-T12 PolarHBondContact O-N 3.4Å; T12-L14 VanDerWaalsContact C-N 3.35Å; T12-T15 PolarHBondContact O-N 3.01Å; T12-G16 PolarHBondContact O-N 3.27Å
13	L	81.1	Confident	79.1	Confident	95 Å²	95	78.2 Å²	78.2	50%	0.497	44%	0.442	S	S	.	.	H	α-helix	trans	-62.3	-43.8	175.2	-176.5	150	0	0	0	111.2	A9 F10 V11 G16 L17 M150	A9-L13 WeakPolarHBondContact O-CB 3.25Å; A9-L13 PolarHBondContact O-N 3.14Å; F10-L13 PolarHBondContact O-N 3.3Å; V11-L13 VanDerWaalsContact C-N 3.31Å; V11-L13 PolarHBondContact O-N 3.16Å; L13-G16 PolarHBondContact O-N 3.15Å; L13-L17 WeakPolarHBondContact O-CB 3.28Å; L13-L17 PolarHBondContact O-N 3.42Å; L13-M150 HydrophobicContact CD2-SD 3.87Å
14	L	83.7	Confident	80	Confident	80 Å²	80	76.2 Å²	76.2	42%	0.419	43%	0.432	S	S	.	.	H	α-helix	trans	-66	-40.4	178.1	-164.4	144.2	0	0	0	111.8	F10 V11 T12 L17 T18	F10-L14 HydrophobicContact CE1-CD1 4.4Å; F10-L14 HydrophobicContact CZ-CD1 4.29Å; F10-L14 PolarHBondContact O-N 3.46Å; V11-L14 PolarHBondContact O-N 2.95Å; V11-L14 VanDerWaalsContact O-N 3.13Å; T12-L14 VanDerWaalsContact C-N 3.35Å; L14-L17 WeakPolarHBondContact O-CB 3.3Å; L14-L17 PolarHBondContact O-N 3.41Å; L14-T18 PolarHBondContact O-N 3.02Å; L14-T18 PolarHBondContact O-OG1 3Å
15	T	84.5	Confident	80.4	Confident	72 Å²	72	73.4 Å²	73.4	44%	0.442	42%	0.423	S	S	.	.	H	α-helix	trans	-63	-44.3	173.8	-52.1	0	0	0	0	111.9	V11 T12 L17 T18 I19	V11-T15 PolarHBondContact O-N 3.41Å; V11-T15 PolarHBondContact O-OG1 3.07Å; T12-T15 PolarHBondContact O-N 3.01Å; T15-L17 VanDerWaalsContact C-N 3.3Å; T15-L17 PolarHBondContact O-N 2.85Å; T15-T18 WeakPolarHBondContact O-CB 3.31Å; T15-T18 PolarHBondContact O-N 2.82Å; T15-I19 HydrophobicContact CG2-CD1 4.38Å; T15-I19 WeakPolarHBondContact O-CG1 3.38Å; T15-I19 PolarHBondContact O-N 3.12Å
16	G	83.2	Confident	80.7	Confident	37 Å²	37	73.2 Å²	73.2	38%	0.381	42%	0.424	S	S	.	.	H	α-helix	trans	-61.1	-39.6	176.2	0	0	0	0	0	112.5	T12 L13 I19 F20	T12-G16 PolarHBondContact O-N 3.27Å; L13-G16 PolarHBondContact O-N 3.15Å; G16-I19 PolarHBondContact O-N 3.41Å; G16-F20 PolarHBondContact O-N 3.47Å
17	L	80.8	Confident	81.1	Confident	28 Å²	28	71.8 Å²	71.8	15%	0.147	43%	0.427	C	S	.	.	H	α-helix	trans	-61.1	-47	172.5	172	64.3	0	0	0	111.9	L13 L14 T15 I19 F20 V21 F146 M150	L13-L17 WeakPolarHBondContact O-CB 3.28Å; L13-L17 PolarHBondContact O-N 3.42Å; L14-L17 WeakPolarHBondContact O-CB 3.3Å; L14-L17 PolarHBondContact O-N 3.41Å; T15-L17 VanDerWaalsContact C-N 3.3Å; T15-L17 PolarHBondContact O-N 2.85Å; L17-I19 VanDerWaalsContact C-N 3.3Å; L17-I19 PolarHBondContact O-N 3.2Å; L17-F20 PolarHBondContact O-N 3.02Å; L17-V21 HydrophobicContact CD1-CG2 4.02Å; L17-V21 HydrophobicContact CG-CG2 4.46Å; L17-V21 WeakPolarHBondContact O-CG2 3.48Å; L17-V21 PolarHBondContact O-N 2.87Å; L17-F146 HydrophobicContact CD1-CD1 3.27Å; L17-F146 HydrophobicContact CD1-CE1 3.06Å; L17-F146 HydrophobicContact CD1-CG 4.42Å; L17-F146 HydrophobicContact CD1-CZ 4.05Å; L17-F146 HydrophobicContact CG-CE1 4.49Å; L17-M150 HydrophobicContact CD1-CB 4.38Å; L17-M150 HydrophobicContact CD1-CG 3.96Å; L17-M150 HydrophobicContact CD2-CB 3.42Å; L17-M150 VanDerWaalsContact CD2-CB 3.42Å; L17-M150 HydrophobicContact CD2-CG 3.77Å; L17-M150 HydrophobicContact CG-CG 4.44Å
18	T	84	Confident	80.8	Confident	74 Å²	74	67.7 Å²	67.7	45%	0.454	41%	0.41	S	S	.	.	H	α-helix	trans	-56	-46.8	176.5	-56.1	0	0	0	0	110.8	L14 T15 F20 V21 T22	L14-T18 PolarHBondContact O-N 3.02Å; L14-T18 PolarHBondContact O-OG1 3Å; T15-T18 WeakPolarHBondContact O-CB 3.31Å; T15-T18 PolarHBondContact O-N 2.82Å; T18-F20 VanDerWaalsContact C-N 3.34Å; T18-F20 PolarHBondContact O-N 3.05Å; T18-V21 PolarHBondContact O-N 3.48Å; T18-T22 WeakPolarHBondContact O-CB 3.46Å; T18-T22 PolarHBondContact O-N 3.29Å; T18-T22 PolarHBondContact O-OG1 2.97Å
19	I	86.4	Confident	80.6	Confident	100 Å²	100	68.1 Å²	68.1	51%	0.513	41%	0.413	S	S	.	.	H	α-helix	trans	-58.2	-46.4	177.5	-65.7	165.9	0	0	0	110.9	T15 G16 L17 T22 L23	T15-I19 HydrophobicContact CG2-CD1 4.38Å; T15-I19 WeakPolarHBondContact O-CG1 3.38Å; T15-I19 PolarHBondContact O-N 3.12Å; G16-I19 PolarHBondContact O-N 3.41Å; L17-I19 VanDerWaalsContact C-N 3.3Å; L17-I19 PolarHBondContact O-N 3.2Å; I19-T22 PolarHBondContact O-N 3.05Å; I19-L23 HydrophobicContact CG2-CD1 4.1Å; I19-L23 WeakPolarHBondContact O-CG 3.45Å; I19-L23 PolarHBondContact O-N 3.09Å
20	F	80.2	Confident	80.5	Confident	102 Å²	102	72 Å²	72	45%	0.447	42%	0.419	S	S	.	.	H	α-helix	trans	-63.2	-44	-179.8	-169.6	-102.5	0	0	0	112.5	G16 L17 T18 L23 L24 F146	G16-F20 PolarHBondContact O-N 3.47Å; L17-F20 PolarHBondContact O-N 3.02Å; T18-F20 VanDerWaalsContact C-N 3.34Å; T18-F20 PolarHBondContact O-N 3.05Å; F20-L23 PolarHBondContact O-N 2.71Å; F20-L24 HydrophobicContact CD1-CD1 3.95Å; F20-L24 HydrophobicContact CD1-CG 4.43Å; F20-L24 HydrophobicContact CE1-CD1 3.55Å; F20-L24 HydrophobicContact CE1-CG 4.16Å; F20-L24 HydrophobicContact CZ-CD1 4.23Å; F20-L24 HydrophobicContact CZ-CG 4.5Å; F20-L24 PolarHBondContact O-N 3.01Å; F20-F146 HydrophobicContact CD1-CD1 4.03Å; F20-F146 AromaticContact CD1-CE1 3.77Å; F20-F146 HydrophobicContact CD1-CE1 3.77Å; F20-F146 HydrophobicContact CE1-CD1 4.38Å; F20-F146 HydrophobicContact CE1-CE1 4.29Å; F20-F146 HydrophobicContact CG-CE1 4.5Å
21	V	82.6	Confident	80	Confident	44 Å²	44	72 Å²	72	27%	0.267	42%	0.418	S	S	.	.	H	α-helix	trans	-63.5	-42.2	175.8	172.7	0	0	0	0	110.9	L17 T18 L23 L24 G25 I147	L17-V21 HydrophobicContact CD1-CG2 4.02Å; L17-V21 HydrophobicContact CG-CG2 4.46Å; L17-V21 WeakPolarHBondContact O-CG2 3.48Å; L17-V21 PolarHBondContact O-N 2.87Å; T18-V21 PolarHBondContact O-N 3.48Å; V21-L23 VanDerWaalsContact C-N 3.35Å; V21-L23 PolarHBondContact O-N 2.87Å; V21-L24 PolarHBondContact O-N 3.41Å; V21-G25 PolarHBondContact O-N 3.5Å; V21-I147 HydrophobicContact CG1-CD1 4.11Å; V21-I147 HydrophobicContact CG2-CD1 4.01Å; V21-I147 HydrophobicContact CG2-CG1 3.84Å
22	T	84.9	Confident	79.3	Confident	78 Å²	78	73.3 Å²	73.3	48%	0.479	42%	0.423	S	S	.	.	H	α-helix	trans	-60.7	-43.7	175.1	-58.6	0	0	0	0	111.3	T18 I19 G25 C26	T18-T22 WeakPolarHBondContact O-CB 3.46Å; T18-T22 PolarHBondContact O-N 3.29Å; T18-T22 PolarHBondContact O-OG1 2.97Å; I19-T22 PolarHBondContact O-N 3.05Å; T22-G25 PolarHBondContact O-N 3.26Å; T22-C26 WeakPolarHBondContact O-CB 3.44Å; T22-C26 PolarHBondContact O-N 2.84Å; T22-C26 PolarHBondContact O-SG 2.86Å
23	L	84.3	Confident	78.7	Confident	112 Å²	112	71 Å²	71	59%	0.586	41%	0.413	S	S	*	.	H	α-helix	trans	-62	-44.9	177.1	-73.9	170.8	0	0	0	112.2	I19 F20 V21 C26 S27	I19-L23 HydrophobicContact CG2-CD1 4.1Å; I19-L23 WeakPolarHBondContact O-CG 3.45Å; I19-L23 PolarHBondContact O-N 3.09Å; F20-L23 PolarHBondContact O-N 2.71Å; V21-L23 VanDerWaalsContact C-N 3.35Å; V21-L23 PolarHBondContact O-N 2.87Å; L23-C26 PolarHBondContact O-N 2.93Å; L23-S27 WeakPolarHBondContact O-CB 3.48Å; L23-S27 PolarHBondContact O-N 3.37Å
24	L	81.2	Confident	78	Confident	47 Å²	47	68.2 Å²	68.2	25%	0.246	40%	0.398	C	S	.	.	H	α-helix	trans	-62.6	-43.1	175.2	-71.8	-179.1	0	0	0	111.7	F20 V21 S27 L28 A143	F20-L24 HydrophobicContact CD1-CD1 3.95Å; F20-L24 HydrophobicContact CD1-CG 4.43Å; F20-L24 HydrophobicContact CE1-CD1 3.55Å; F20-L24 HydrophobicContact CE1-CG 4.16Å; F20-L24 HydrophobicContact CZ-CD1 4.23Å; F20-L24 HydrophobicContact CZ-CG 4.5Å; F20-L24 PolarHBondContact O-N 3.01Å; V21-L24 PolarHBondContact O-N 3.41Å; L24-S27 PolarHBondContact O-N 2.91Å; L24-L28 WeakPolarHBondContact O-CB 3.48Å; L24-L28 PolarHBondContact O-N 3.15Å; L24-A143 HydrophobicContact CD1-CB 3.91Å
25	G	79.1	Confident	77.1	Confident	40 Å²	40	65.7 Å²	65.7	41%	0.412	38%	0.384	S	S	.	.	H	α-helix	trans	-61.9	-44.4	175.9	0	0	0	0	0	112.7	V21 T22 L28 S29	V21-G25 PolarHBondContact O-N 3.5Å; T22-G25 PolarHBondContact O-N 3.26Å; G25-L28 PolarHBondContact O-N 3.48Å; G25-S29 VanDerWaalsContact O-CB 3.29Å; G25-S29 WeakPolarHBondContact O-CB 3.34Å; G25-S29 PolarHBondContact O-N 3.03Å
26	C	77.9	Confident	76.1	Confident	76 Å²	76	69.6 Å²	69.6	51%	0.514	39%	0.392	S	S	.	.	H	α-helix	trans	-62.3	-43.4	174.7	-72.6	0	0	0	0	111.7	T22 L23 L28 S29 F30	T22-C26 WeakPolarHBondContact O-CB 3.44Å; T22-C26 PolarHBondContact O-N 2.84Å; T22-C26 PolarHBondContact O-SG 2.86Å; L23-C26 PolarHBondContact O-N 2.93Å; C26-L28 PolarHBondContact O-N 3.13Å; C26-S29 PolarHBondContact O-N 3.38Å; C26-F30 WeakPolarHBondContact O-CB 3.42Å; C26-F30 PolarHBondContact O-N 3.03Å
27	S	78.4	Confident	75.2	Confident	72 Å²	72	74.8 Å²	74.8	50%	0.503	40%	0.404	S	S	.	.	H	α-helix	trans	-61.7	-43.4	176.9	-171.4	0	0	0	0	111.8	L23 L24 F30 Y31	L23-S27 WeakPolarHBondContact O-CB 3.48Å; L23-S27 PolarHBondContact O-N 3.37Å; L24-S27 PolarHBondContact O-N 2.91Å; S27-F30 PolarHBondContact O-N 2.92Å; S27-Y31 PolarHBondContact O-N 3.37Å
28	L	71.3	Confident	74.4	Confident	39 Å²	39	74.9 Å²	74.9	20%	0.204	40%	0.403	C	S	.	.	H	α-helix	trans	-69.1	-39.6	177.8	-171.9	66.8	0	0	0	112	L24 G25 C26 F30 Y31 N32 L140	L24-L28 WeakPolarHBondContact O-CB 3.48Å; L24-L28 PolarHBondContact O-N 3.15Å; G25-L28 PolarHBondContact O-N 3.48Å; C26-L28 PolarHBondContact O-N 3.13Å; L28-F30 VanDerWaalsContact C-N 3.33Å; L28-Y31 WeakPolarHBondContact O-CB 3.4Å; L28-Y31 PolarHBondContact O-N 2.85Å; L28-N32 PolarHBondContact O-N 3.5Å; L28-N32 PolarHBondContact O-ND2 2.98Å; L28-L140 HydrophobicContact CD2-CB 4.26Å; L28-L140 HydrophobicContact CD2-CD1 3.96Å
29	S	72.6	Confident	73.4	Confident	76 Å²	76	73.5 Å²	73.5	53%	0.531	40%	0.397	S	S	.	.	H	α-helix	trans	-61.5	-42.9	174.1	-176.5	0	0	0	0	111.2	G25 C26 N32 A33	G25-S29 VanDerWaalsContact O-CB 3.29Å; G25-S29 WeakPolarHBondContact O-CB 3.34Å; G25-S29 PolarHBondContact O-N 3.03Å; C26-S29 PolarHBondContact O-N 3.38Å; S29-N32 PolarHBondContact O-N 3.32Å; S29-A33 WeakPolarHBondContact O-CB 3.47Å; S29-A33 PolarHBondContact O-N 3.24Å
30	F	75.4	Confident	72.5	Confident	143 Å²	143	72.7 Å²	72.7	63%	0.627	39%	0.391	S	S	*	.	H	α-helix	trans	-63.3	-42.1	175.8	-169.1	-107.7	0	0	0	111.9	C26 S27 L28 A33 I34	C26-F30 WeakPolarHBondContact O-CB 3.42Å; C26-F30 PolarHBondContact O-N 3.03Å; S27-F30 PolarHBondContact O-N 2.92Å; L28-F30 VanDerWaalsContact C-N 3.33Å; F30-A33 PolarHBondContact O-N 3.48Å; F30-I34 HydrophobicContact CD1-CD1 3.5Å; F30-I34 HydrophobicContact CD1-CG1 4.4Å; F30-I34 HydrophobicContact CE1-CD1 3.21Å; F30-I34 HydrophobicContact CE1-CG1 4.23Å; F30-I34 HydrophobicContact CE2-CD1 4.46Å; F30-I34 HydrophobicContact CG-CD1 4.27Å; F30-I34 HydrophobicContact CZ-CD1 3.74Å; F30-I34 HydrophobicContact CZ-CG1 4.38Å; F30-I34 VanDerWaalsContact O-CG1 3.32Å; F30-I34 WeakPolarHBondContact O-CG1 3.16Å; F30-I34 PolarHBondContact O-N 3.19Å
31	Y	67.5	Low	71.8	Confident	42 Å²	42	75.7 Å²	75.7	17%	0.165	40%	0.399	C	S	.	.	H	α-helix	trans	-57.7	-52	173.1	175.8	-93.3	0	0	0	111.8	S27 L28 A33 I34 Q35 M127 F131 T136	S27-Y31 PolarHBondContact O-N 3.37Å; L28-Y31 WeakPolarHBondContact O-CB 3.4Å; L28-Y31 PolarHBondContact O-N 2.85Å; Y31-A33 VanDerWaalsContact C-N 3.31Å; Y31-A33 PolarHBondContact O-N 2.83Å; Y31-I34 PolarHBondContact O-N 3.33Å; Y31-Q35 HydrophobicContact CD1-CG 4.36Å; Y31-Q35 HydrophobicContact CE1-CG 3.86Å; Y31-Q35 HydrophobicContact CE2-CG 4.24Å; Y31-Q35 WeakPolarHBondContact O-CG 3.5Å; Y31-Q35 PolarHBondContact O-N 3.31Å; Y31-M127 HydrophobicContact CE2-CB 4.32Å; Y31-F131 HydrophobicContact CD2-CD2 4.31Å; Y31-F131 HydrophobicContact CE2-CD2 4.37Å; Y31-T136 HydrophobicContact CD1-CG2 4.24Å; Y31-T136 HydrophobicContact CE1-CG2 3.51Å; Y31-T136 HydrophobicContact CE2-CG2 3.92Å; Y31-T136 WeakPolarHBondContact OH-CG2 3.35Å
32	N	65.8	Low	71	Confident	91 Å²	91	73.6 Å²	73.6	49%	0.487	39%	0.386	S	S	.	.	H	α-helix	trans	-63.5	-38.4	179.3	-73.6	-30.5	0	0	0	111.8	L28 S29 Q35 Y36	L28-N32 PolarHBondContact O-N 3.5Å; L28-N32 PolarHBondContact O-ND2 2.98Å; S29-N32 PolarHBondContact O-N 3.32Å; N32-Q35 PolarHBondContact O-N 2.88Å; N32-Y36 VanDerWaalsContact O-CB 3.29Å; N32-Y36 WeakPolarHBondContact O-CB 3.29Å; N32-Y36 PolarHBondContact O-N 3.37Å
33	A	67.4	Low	70.2	Confident	42 Å²	42	74.8 Å²	74.8	35%	0.347	39%	0.386	S	S	.	.	H	α-helix	trans	-65.5	-40.3	176.8	0	0	0	0	0	112.1	S29 F30 Y31 K37	S29-A33 WeakPolarHBondContact O-CB 3.47Å; S29-A33 PolarHBondContact O-N 3.24Å; F30-A33 PolarHBondContact O-N 3.48Å; Y31-A33 VanDerWaalsContact C-N 3.31Å; Y31-A33 PolarHBondContact O-N 2.83Å; A33-K37 WeakPolarHBondContact O-CB 3.43Å; A33-K37 VanDerWaalsContact O-CG 3.27Å; A33-K37 WeakPolarHBondContact O-CG 3.44Å; A33-K37 PolarHBondContact O-N 3.42Å
34	I	67.4	Low	69.7	Low	38 Å²	38	72.3 Å²	72.3	20%	0.195	38%	0.382	C	S	.	.	H	α-helix	trans	-63.7	-49.7	174.9	-72.5	167.8	0	0	0	110.3	F30 Y31 Y36 K37 F38 M127	F30-I34 HydrophobicContact CD1-CD1 3.5Å; F30-I34 HydrophobicContact CD1-CG1 4.4Å; F30-I34 HydrophobicContact CE1-CD1 3.21Å; F30-I34 HydrophobicContact CE1-CG1 4.23Å; F30-I34 HydrophobicContact CE2-CD1 4.46Å; F30-I34 HydrophobicContact CG-CD1 4.27Å; F30-I34 HydrophobicContact CZ-CD1 3.74Å; F30-I34 HydrophobicContact CZ-CG1 4.38Å; F30-I34 VanDerWaalsContact O-CG1 3.32Å; F30-I34 WeakPolarHBondContact O-CG1 3.16Å; F30-I34 PolarHBondContact O-N 3.19Å; Y31-I34 PolarHBondContact O-N 3.33Å; I34-Y36 VanDerWaalsContact C-N 3.32Å; I34-Y36 PolarHBondContact O-N 3.39Å; I34-K37 PolarHBondContact O-N 3.04Å; I34-F38 WeakPolarHBondContact O-CB 3.4Å; I34-F38 PolarHBondContact O-N 3.17Å; I34-M127 HydrophobicContact CD1-CE 4.1Å; I34-M127 HydrophobicContact CG2-CE 4.31Å; I34-M127 HydrophobicContact CG2-CG 4.23Å
35	Q	63.9	Low	69	Low	26 Å²	26	70.7 Å²	70.7	12%	0.121	37%	0.374	C	S	.	.	H	α-helix	trans	-58.3	-45.5	178.9	-72.5	-73.6	-38.9	0	0	111.1	Y31 N32 F38 S39	Y31-Q35 HydrophobicContact CD1-CG 4.36Å; Y31-Q35 HydrophobicContact CE1-CG 3.86Å; Y31-Q35 HydrophobicContact CE2-CG 4.24Å; Y31-Q35 WeakPolarHBondContact O-CG 3.5Å; Y31-Q35 PolarHBondContact O-N 3.31Å; N32-Q35 PolarHBondContact O-N 2.88Å; Q35-F38 PolarHBondContact O-N 3.3Å; Q35-S39 PolarHBondContact O-N 2.96Å; Q35-S39 PolarHBondContact O-OG 3.23Å
36	Y	63.2	Low	68.6	Low	155 Å²	155	69 Å²	69	61%	0.608	36%	0.356	S	S	*	.	H	α-helix	trans	-63.5	-47.8	178.2	-170.4	-98.5	0	0	0	112.3	N32 I34 F38 S39 H40	N32-Y36 VanDerWaalsContact O-CB 3.29Å; N32-Y36 WeakPolarHBondContact O-CB 3.29Å; N32-Y36 PolarHBondContact O-N 3.37Å; I34-Y36 VanDerWaalsContact C-N 3.32Å; I34-Y36 PolarHBondContact O-N 3.39Å; Y36-F38 VanDerWaalsContact C-N 3.26Å; Y36-F38 PolarHBondContact O-N 2.91Å; Y36-S39 PolarHBondContact O-N 3.02Å; Y36-H40 AromaticContact CD1-CD2 3.57Å; Y36-H40 AromaticContact CE1-CD2 3.25Å; Y36-H40 WeakPolarHBondContact CE1-CD2 3.39Å; Y36-H40 AromaticContact CE1-NE2 3.24Å; Y36-H40 WeakPolarHBondContact CE1-NE2 3.45Å; Y36-H40 AromaticContact CE2-CD2 3.87Å; Y36-H40 AromaticContact CE2-NE2 3.5Å; Y36-H40 WeakPolarHBondContact CE2-NE2 3.36Å; Y36-H40 AromaticContact CZ-CD2 3.44Å; Y36-H40 VanDerWaalsContact CZ-CD2 3.44Å; Y36-H40 AromaticContact CZ-NE2 2.95Å; Y36-H40 PolarHBondContact O-CD2 3.2Å; Y36-H40 VanDerWaalsContact O-CD2 3.28Å; Y36-H40 PolarHBondContact O-N 3.03Å; Y36-H40 VanDerWaalsContact O-N 3.09Å; Y36-H40 PolarHBondContact OH-NE2 2.93Å
37	K	64.9	Low	68.3	Low	146 Å²	146	68.9 Å²	68.9	64%	0.635	35%	0.353	S	S	*	.	H	α-helix	trans	-61.2	-36.7	177.2	-76.5	-177.1	179.3	-167.7	0	112	A33 I34 R41	A33-K37 WeakPolarHBondContact O-CB 3.43Å; A33-K37 VanDerWaalsContact O-CG 3.27Å; A33-K37 WeakPolarHBondContact O-CG 3.44Å; A33-K37 PolarHBondContact O-N 3.42Å; I34-K37 PolarHBondContact O-N 3.04Å; K37-R41 WeakPolarHBondContact O-CG 3.4Å; K37-R41 PolarHBondContact O-N 3.4Å; K37-R41 VanDerWaalsContact O-N 3.14Å
38	F	63.8	Low	67.9	Low	30 Å²	30	66.9 Å²	66.9	13%	0.132	34%	0.341	C	S	.	.	H	α-helix	trans	-69.4	-49.2	179.1	-163.6	-87.3	0	0	0	111.3	I34 Q35 Y36 H40 R41 V42 Y123 P126	I34-F38 WeakPolarHBondContact O-CB 3.4Å; I34-F38 PolarHBondContact O-N 3.17Å; Q35-F38 PolarHBondContact O-N 3.3Å; Y36-F38 VanDerWaalsContact C-N 3.26Å; Y36-F38 PolarHBondContact O-N 2.91Å; F38-H40 VanDerWaalsContact C-N 3.28Å; F38-H40 PolarHBondContact O-N 2.92Å; F38-R41 WeakPolarHBondContact O-CB 3.38Å; F38-R41 PolarHBondContact O-N 2.86Å; F38-V42 HydrophobicContact CD1-CG2 3.74Å; F38-V42 HydrophobicContact CE1-CG2 3.35Å; F38-V42 HydrophobicContact CZ-CG2 4.1Å; F38-V42 WeakPolarHBondContact O-CG2 3.48Å; F38-V42 PolarHBondContact O-N 3.49Å; F38-Y123 AromaticContact CD1-CD2 3.95Å; F38-Y123 HydrophobicContact CD1-CD2 3.95Å; F38-Y123 AromaticContact CD1-CE2 3.68Å; F38-Y123 HydrophobicContact CD1-CE2 3.68Å; F38-Y123 HydrophobicContact CE1-CD1 4.09Å; F38-Y123 AromaticContact CE1-CD2 3.12Å; F38-Y123 HydrophobicContact CE1-CD2 3.12Å; F38-Y123 HydrophobicContact CE1-CE1 4.29Å; F38-Y123 AromaticContact CE1-CE2 3.33Å; F38-Y123 HydrophobicContact CE1-CE2 3.33Å; F38-Y123 AromaticContact CE1-CG 3.49Å; F38-Y123 HydrophobicContact CE1-CG 3.49Å; F38-Y123 VanDerWaalsContact CE1-CG 3.49Å; F38-Y123 AromaticContact CE1-CZ 3.92Å; F38-Y123 AromaticContact CZ-CD2 3.75Å; F38-Y123 HydrophobicContact CZ-CD2 3.75Å; F38-Y123 HydrophobicContact CZ-CE2 4.34Å; F38-Y123 HydrophobicContact CZ-CG 4.03Å; F38-P126 HydrophobicContact CD2-CG 4.01Å; F38-P126 HydrophobicContact CE2-CG 4.12Å
39	S	63.5	Low	67.8	Low	44 Å²	44	65.1 Å²	65.1	31%	0.308	33%	0.332	S	S	.	.	H	α-helix	trans	-55.4	-42.6	176.3	-63.8	0	0	0	0	112.5	Q35 Y36 V42 Q43	Q35-S39 PolarHBondContact O-N 2.96Å; Q35-S39 PolarHBondContact O-OG 3.23Å; Y36-S39 PolarHBondContact O-N 3.02Å; S39-V42 PolarHBondContact O-N 3.32Å; S39-Q43 WeakPolarHBondContact O-CB 3.18Å; S39-Q43 PolarHBondContact O-N 3.45Å
40	H	67.5	Low	67.6	Low	84 Å²	84	62 Å²	62	39%	0.389	31%	0.309	S	S	.	.	H	α-helix	trans	-64.3	-38.7	175.8	-88.8	-77.4	0	0	0	113.4	Y36 F38 Q43 A44	Y36-H40 AromaticContact CD1-CD2 3.57Å; Y36-H40 AromaticContact CE1-CD2 3.25Å; Y36-H40 WeakPolarHBondContact CE1-CD2 3.39Å; Y36-H40 AromaticContact CE1-NE2 3.24Å; Y36-H40 WeakPolarHBondContact CE1-NE2 3.45Å; Y36-H40 AromaticContact CE2-CD2 3.87Å; Y36-H40 AromaticContact CE2-NE2 3.5Å; Y36-H40 WeakPolarHBondContact CE2-NE2 3.36Å; Y36-H40 AromaticContact CZ-CD2 3.44Å; Y36-H40 VanDerWaalsContact CZ-CD2 3.44Å; Y36-H40 AromaticContact CZ-NE2 2.95Å; Y36-H40 PolarHBondContact O-CD2 3.2Å; Y36-H40 VanDerWaalsContact O-CD2 3.28Å; Y36-H40 PolarHBondContact O-N 3.03Å; Y36-H40 VanDerWaalsContact O-N 3.09Å; Y36-H40 PolarHBondContact OH-NE2 2.93Å; F38-H40 VanDerWaalsContact C-N 3.28Å; F38-H40 PolarHBondContact O-N 2.92Å; H40-Q43 PolarHBondContact O-N 3.34Å; H40-A44 WeakPolarHBondContact O-CB 3.34Å; H40-A44 PolarHBondContact O-N 3.44Å
41	R	65.6	Low	67.4	Low	165 Å²	165	58.2 Å²	58.2	62%	0.623	30%	0.298	S	S	*	.	H	α-helix	trans	-65.4	-44.4	175.5	-76.3	176.9	174.7	-157.7	-1.9	111.8	K37 F38 Q43 A44 V45	K37-R41 WeakPolarHBondContact O-CG 3.4Å; K37-R41 PolarHBondContact O-N 3.4Å; K37-R41 VanDerWaalsContact O-N 3.14Å; F38-R41 WeakPolarHBondContact O-CB 3.38Å; F38-R41 PolarHBondContact O-N 2.86Å; R41-Q43 VanDerWaalsContact C-N 3.32Å; R41-Q43 PolarHBondContact O-N 3.4Å; R41-A44 PolarHBondContact O-N 2.82Å; R41-V45 WeakPolarHBondContact O-CG2 3.25Å; R41-V45 PolarHBondContact O-N 3.37Å
42	V	66.6	Low	67.3	Low	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-63.3	-42.2	177.3	-178.3	0	0	0	0	110.4	F38 S39 V45 A46 L107 L121 Y123	F38-V42 HydrophobicContact CD1-CG2 3.74Å; F38-V42 HydrophobicContact CE1-CG2 3.35Å; F38-V42 HydrophobicContact CZ-CG2 4.1Å; F38-V42 WeakPolarHBondContact O-CG2 3.48Å; F38-V42 PolarHBondContact O-N 3.49Å; S39-V42 PolarHBondContact O-N 3.32Å; V42-V45 PolarHBondContact O-N 3.47Å; V42-A46 PolarHBondContact O-N 2.91Å; V42-L107 HydrophobicContact CB-CD2 4.06Å; V42-L107 HydrophobicContact CG1-CB 4.36Å; V42-L107 HydrophobicContact CG1-CD2 3.53Å; V42-L121 HydrophobicContact CG1-CB 4.21Å; V42-L121 HydrophobicContact CG1-CD1 4.48Å; V42-L121 HydrophobicContact CG1-CD2 4.17Å; V42-Y123 HydrophobicContact CG1-CD1 4.5Å; V42-Y123 HydrophobicContact CG2-CD1 4.22Å; V42-Y123 HydrophobicContact CG2-CE1 4.33Å
43	Q	67.9	Low	67.3	Low	103 Å²	103	56.3 Å²	56.3	48%	0.481	29%	0.288	S	S	.	.	H	α-helix	trans	-62.7	-43.3	175.8	-171.9	173	7.8	0	0	111.9	S39 H40 R41 V45 A46 T47	S39-Q43 WeakPolarHBondContact O-CB 3.18Å; S39-Q43 PolarHBondContact O-N 3.45Å; H40-Q43 PolarHBondContact O-N 3.34Å; R41-Q43 VanDerWaalsContact C-N 3.32Å; R41-Q43 PolarHBondContact O-N 3.4Å; Q43-V45 VanDerWaalsContact C-N 3.33Å; Q43-V45 PolarHBondContact O-N 3.31Å; Q43-A46 WeakPolarHBondContact O-CB 3.31Å; Q43-A46 PolarHBondContact O-N 3.46Å; Q43-T47 PolarHBondContact O-N 2.91Å; Q43-T47 PolarHBondContact O-OG1 2.88Å; Q43-T47 VanDerWaalsContact O-OG1 3.05Å
44	A	72	Confident	67.2	Low	60 Å²	60	58.7 Å²	58.7	50%	0.496	30%	0.298	S	S	.	.	H	α-helix	trans	-61.4	-40.6	176.2	0	0	0	0	0	112.2	H40 R41 T47 A48	H40-A44 WeakPolarHBondContact O-CB 3.34Å; H40-A44 PolarHBondContact O-N 3.44Å; R41-A44 PolarHBondContact O-N 2.82Å; A44-T47 PolarHBondContact O-N 3.33Å; A44-A48 WeakPolarHBondContact O-CB 3.3Å; A44-A48 PolarHBondContact O-N 3.36Å
45	V	68	Low	66.9	Low	12 Å²	12	60.7 Å²	60.7	7%	0.073	32%	0.315	C	S	.	.	H	α-helix	trans	-64.9	-42.4	174	169.8	0	0	0	0	111.4	R41 V42 Q43 T47 A48 I49 L68 A72 I74 L121	R41-V45 WeakPolarHBondContact O-CG2 3.25Å; R41-V45 PolarHBondContact O-N 3.37Å; V42-V45 PolarHBondContact O-N 3.47Å; Q43-V45 VanDerWaalsContact C-N 3.33Å; Q43-V45 PolarHBondContact O-N 3.31Å; V45-T47 VanDerWaalsContact C-N 3.32Å; V45-T47 PolarHBondContact O-N 2.95Å; V45-A48 PolarHBondContact O-N 3.01Å; V45-I49 HydrophobicContact CG1-CD1 3.69Å; V45-I49 HydrophobicContact CG1-CG1 4.26Å; V45-I49 WeakPolarHBondContact O-CB 3.33Å; V45-I49 VanDerWaalsContact O-CG1 3.28Å; V45-I49 WeakPolarHBondContact O-CG1 3.37Å; V45-I49 PolarHBondContact O-N 2.9Å; V45-L68 HydrophobicContact CG1-CB 4.1Å; V45-A72 HydrophobicContact CB-CB 4.48Å; V45-A72 HydrophobicContact CG2-CB 3.63Å; V45-I74 HydrophobicContact CB-CD1 4.26Å; V45-I74 HydrophobicContact CG1-CD1 3.75Å; V45-L121 HydrophobicContact CG1-CD2 4.44Å
46	A	69.3	Low	66.8	Low	4 Å²	4	62.8 Å²	62.8	3%	0.033	33%	0.327	C	S	.	.	H	α-helix	trans	-60.8	-41.5	175.4	0	0	0	0	0	111.9	V42 Q43 I49 D50 V109 L119 L121	V42-A46 PolarHBondContact O-N 2.91Å; Q43-A46 WeakPolarHBondContact O-CB 3.31Å; Q43-A46 PolarHBondContact O-N 3.46Å; A46-I49 PolarHBondContact O-N 3.4Å; A46-D50 WeakPolarHBondContact O-CB 3.49Å; A46-D50 PolarHBondContact O-N 3.48Å; A46-V109 HydrophobicContact CB-CB 3.84Å; A46-V109 HydrophobicContact CB-CG1 3.85Å; A46-V109 HydrophobicContact CB-CG2 3.78Å; A46-L119 HydrophobicContact CB-CD2 4.29Å; A46-L121 HydrophobicContact CB-CD1 4.09Å
47	T	71.6	Confident	66.9	Low	74 Å²	74	61.4 Å²	61.4	45%	0.454	33%	0.331	S	S	.	.	H	α-helix	trans	-67.3	-36.8	175.4	-54.9	0	0	0	0	112.8	Q43 A44 V45 T51	Q43-T47 PolarHBondContact O-N 2.91Å; Q43-T47 PolarHBondContact O-OG1 2.88Å; Q43-T47 VanDerWaalsContact O-OG1 3.05Å; A44-T47 PolarHBondContact O-N 3.33Å; V45-T47 VanDerWaalsContact C-N 3.32Å; V45-T47 PolarHBondContact O-N 2.95Å; T47-T51 PolarHBondContact O-N 2.81Å; T47-T51 PolarHBondContact O-OG1 2.87Å
48	A	71.2	Confident	66.8	Low	31 Å²	31	55.3 Å²	55.3	26%	0.256	30%	0.304	S	S	.	.	H	α-helix	trans	-63.9	-49.3	173.6	0	0	0	0	0	110.4	A44 V45 D50 T51 H52 L68	A44-A48 WeakPolarHBondContact O-CB 3.3Å; A44-A48 PolarHBondContact O-N 3.36Å; V45-A48 PolarHBondContact O-N 3.01Å; A48-D50 PolarHBondContact O-N 2.91Å; A48-T51 WeakPolarHBondContact O-CB 3.31Å; A48-T51 PolarHBondContact O-N 3.29Å; A48-H52 PolarHBondContact O-CD2 3.32Å; A48-H52 PolarHBondContact O-N 2.89Å; A48-L68 HydrophobicContact CB-CD1 4.18Å
49	I	67.8	Low	66.8	Low	1 Å²	1	57.3 Å²	57.3	1%	0.005	32%	0.322	C	S	.	.	H	α-helix	trans	-56.8	-49.1	176.3	-68.8	169.7	0	0	0	110.4	V45 A46 T51 H52 L53 I65 L68 L119	V45-I49 HydrophobicContact CG1-CD1 3.69Å; V45-I49 HydrophobicContact CG1-CG1 4.26Å; V45-I49 WeakPolarHBondContact O-CB 3.33Å; V45-I49 VanDerWaalsContact O-CG1 3.28Å; V45-I49 WeakPolarHBondContact O-CG1 3.37Å; V45-I49 PolarHBondContact O-N 2.9Å; A46-I49 PolarHBondContact O-N 3.4Å; I49-T51 PolarHBondContact O-N 2.87Å; I49-H52 PolarHBondContact O-N 3.28Å; I49-H52 VanDerWaalsContact O-N 3.09Å; I49-L53 HydrophobicContact CG2-CD1 3.4Å; I49-L53 VanDerWaalsContact CG2-CD1 3.4Å; I49-L53 WeakPolarHBondContact O-CD1 3.32Å; I49-L53 PolarHBondContact O-N 2.97Å; I49-I65 HydrophobicContact CD1-CG2 4.2Å; I49-I65 HydrophobicContact CG1-CG1 4.49Å; I49-L68 HydrophobicContact CG1-CD1 3.99Å; I49-L119 HydrophobicContact CB-CD2 4.07Å; I49-L119 HydrophobicContact CD1-CD2 3.82Å; I49-L119 HydrophobicContact CG2-CD1 4.42Å; I49-L119 HydrophobicContact CG2-CD2 3.78Å
50	D	69.5	Low	66.9	Low	11 Å²	11	59.5 Å²	59.5	6%	0.059	33%	0.333	C	S	.	.	H	α-helix	trans	-57.9	-34.7	177.3	-170.2	33.6	0	0	0	112.3	A46 A48 V54 L111 I112 K113 H114	A46-D50 WeakPolarHBondContact O-CB 3.49Å; A46-D50 PolarHBondContact O-N 3.48Å; A48-D50 PolarHBondContact O-N 2.91Å; D50-V54 WeakPolarHBondContact O-CG2 3.39Å; D50-L111 HydrophobicContact CB-CG 4.28Å; D50-L111 WeakPolarHBondContact OD1-CB 3.47Å; D50-L111 WeakPolarHBondContact OD1-CD2 3.27Å; D50-L111 WeakPolarHBondContact OD1-CG 3.4Å; D50-I112 PolarHBondContact OD2-N 3.29Å; D50-K113 WeakPolarHBondContact OD2-CG 3.33Å; D50-K113 PolarHBondContact OD2-N 3.09Å; D50-K113 VanDerWaalsContact OD2-N 3.17Å; D50-H114 IonicContact OD1-ND1 3.65Å; D50-H114 PolarHBondContact OD1-ND1 3.41Å
51	T	71.2	Confident	66.9	Low	64 Å²	64	55.6 Å²	55.6	39%	0.393	32%	0.315	S	S	.	.	H	α-helix	trans	-71.8	-40.2	176.2	-60.7	0	0	0	0	112.7	T47 A48 I49 V54 K113	T47-T51 PolarHBondContact O-N 2.81Å; T47-T51 PolarHBondContact O-OG1 2.87Å; A48-T51 WeakPolarHBondContact O-CB 3.31Å; A48-T51 PolarHBondContact O-N 3.29Å; I49-T51 PolarHBondContact O-N 2.87Å; T51-V54 PolarHBondContact O-N 3.3Å; T51-K113 PolarHBondContact OG1-NZ 3.31Å
52	H	66.2	Low	67.1	Low	73 Å²	73	53.8 Å²	53.8	34%	0.338	31%	0.308	S	S	.	.	H	α-helix	trans	-68.9	-36.9	177.5	-77.8	-81.6	0	0	0	112.1	A48 I49 V54 S55 N56 L61 Q64	A48-H52 PolarHBondContact O-CD2 3.32Å; A48-H52 PolarHBondContact O-N 2.89Å; I49-H52 PolarHBondContact O-N 3.28Å; I49-H52 VanDerWaalsContact O-N 3.09Å; H52-V54 PolarHBondContact O-N 3.31Å; H52-V54 VanDerWaalsContact O-N 3.17Å; H52-S55 PolarHBondContact O-N 2.83Å; H52-S55 PolarHBondContact O-OG 2.85Å; H52-N56 PolarHBondContact O-N 2.95Å; H52-L61 HydrophobicContact CB-CD1 3.83Å; H52-L61 HydrophobicContact CB-CD2 4.07Å; H52-Q64 PolarHBondContact ND1-OE1 3.49Å
53	L	64.4	Low	67.5	Low	20 Å²	20	58.1 Å²	58.1	11%	0.105	34%	0.336	C	S	.	.	H	α-helix	trans	-61	-22.2	177.6	-95.3	81.6	0	0	0	113.9	I49 S55 F58 L61 L79 L111	I49-L53 HydrophobicContact CG2-CD1 3.4Å; I49-L53 VanDerWaalsContact CG2-CD1 3.4Å; I49-L53 WeakPolarHBondContact O-CD1 3.32Å; I49-L53 PolarHBondContact O-N 2.97Å; L53-S55 PolarHBondContact O-N 3.41Å; L53-F58 HydrophobicContact CD1-CD2 4.06Å; L53-F58 HydrophobicContact CD1-CE2 4.47Å; L53-F58 HydrophobicContact CD2-CD2 4.21Å; L53-F58 HydrophobicContact CG-CD2 4.39Å; L53-L61 HydrophobicContact CD1-CD1 4.31Å; L53-L79 HydrophobicContact CD2-CD1 4.23Å; L53-L79 HydrophobicContact CD2-CD2 4.32Å; L53-L111 HydrophobicContact CD2-CD2 3.97Å
54	V	65.3	Low	67.6	Low	91 Å²	91	57 Å²	57	55%	0.552	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-31.7	175.3	-179.3	0	0	0	0	111.8	D50 T51 H52 K113	D50-V54 WeakPolarHBondContact O-CG2 3.39Å; T51-V54 PolarHBondContact O-N 3.3Å; H52-V54 PolarHBondContact O-N 3.31Å; H52-V54 VanDerWaalsContact O-N 3.17Å; V54-K113 HydrophobicContact CG2-CB 4.11Å; V54-K113 HydrophobicContact CG2-CD 3.35Å; V54-K113 HydrophobicContact CG2-CG 4.36Å
55	S	61.1	Low	67.4	Low	80 Å²	80	54.2 Å²	54.2	56%	0.559	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.8	-22.5	-167.7	62.1	0	0	0	0	114	H52 L53	H52-S55 PolarHBondContact O-N 2.83Å; H52-S55 PolarHBondContact O-OG 2.85Å; L53-S55 PolarHBondContact O-N 3.41Å
56	N	61.7	Low	67.5	Low	70 Å²	70	56.3 Å²	56.3	37%	0.374	32%	0.321	S	S	.	.	S	Bend	trans	-147	142.5	-171.7	-69.6	-80	0	0	0	110.6	H52 L61	H52-N56 PolarHBondContact O-N 2.95Å; N56-L61 HydrophobicContact CB-CD1 3.87Å; N56-L61 HydrophobicContact CB-CD2 3.83Å; N56-L61 HydrophobicContact CB-CG 3.65Å; N56-L61 VanDerWaalsContact O-CD1 3.3Å; N56-L61 WeakPolarHBondContact O-CD1 3.44Å
57	D	65.4	Low	67.7	Low	127 Å²	127	63 Å²	63	68%	0.679	35%	0.351	S	S	*	.			trans	-63	146.8	173.1	-84.1	-33.4	0	0	0	111.6	S59 V60 L61	D57-S59 PolarHBondContact O-N 3.43Å; D57-V60 PolarHBondContact O-N 2.87Å; D57-L61 PolarHBondContact O-N 3.33Å
58	F	63.6	Low	67.5	Low	17 Å²	17	61.5 Å²	61.5	8%	0.075	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-27.8	-177.6	-160.9	-77.4	0	0	0	113.2	L53 R62 I65 V77 L79 Y87 L89	L53-F58 HydrophobicContact CD1-CD2 4.06Å; L53-F58 HydrophobicContact CD1-CE2 4.47Å; L53-F58 HydrophobicContact CD2-CD2 4.21Å; L53-F58 HydrophobicContact CG-CD2 4.39Å; F58-R62 PolarHBondContact O-N 2.8Å; F58-I65 HydrophobicContact CD1-CD1 4.18Å; F58-I65 HydrophobicContact CD2-CD1 3.84Å; F58-I65 HydrophobicContact CE1-CD1 3.87Å; F58-I65 HydrophobicContact CE2-CD1 3.57Å; F58-I65 HydrophobicContact CG-CD1 4.16Å; F58-I65 HydrophobicContact CZ-CD1 3.6Å; F58-I65 HydrophobicContact CZ-CG2 4.48Å; F58-V77 HydrophobicContact CZ-CG1 4.42Å; F58-L79 HydrophobicContact CD2-CD2 4.05Å; F58-L79 HydrophobicContact CE2-CB 4.39Å; F58-L79 HydrophobicContact CE2-CD2 4.49Å; F58-Y87 AromaticContact CD1-CD1 3.25Å; F58-Y87 HydrophobicContact CD1-CD1 3.25Å; F58-Y87 HydrophobicContact CD1-CD2 4.08Å; F58-Y87 AromaticContact CD1-CE1 3.17Å; F58-Y87 HydrophobicContact CD1-CE1 3.17Å; F58-Y87 HydrophobicContact CD1-CE2 4.01Å; F58-Y87 AromaticContact CD1-CG 3.65Å; F58-Y87 HydrophobicContact CD1-CG 3.65Å; F58-Y87 AromaticContact CD1-CZ 3.47Å; F58-Y87 VanDerWaalsContact CD1-CZ 3.47Å; F58-Y87 AromaticContact CE1-CD1 3.02Å; F58-Y87 HydrophobicContact CE1-CD1 3.02Å; F58-Y87 AromaticContact CE1-CE1 3.06Å; F58-Y87 HydrophobicContact CE1-CE1 3.06Å; F58-Y87 AromaticContact CE1-CG 3.84Å; F58-Y87 HydrophobicContact CE1-CG 3.84Å; F58-Y87 AromaticContact CE1-CZ 3.88Å; F58-Y87 HydrophobicContact CG-CD1 4.27Å; F58-Y87 HydrophobicContact CG-CE1 4.44Å; F58-Y87 HydrophobicContact CG-CG 4.32Å; F58-Y87 AromaticContact CZ-CD1 3.86Å; F58-Y87 HydrophobicContact CZ-CD1 3.86Å; F58-Y87 HydrophobicContact CZ-CE1 4.24Å; F58-L89 HydrophobicContact CE1-CB 4.37Å
59	S	63.6	Low	67.4	Low	73 Å²	73	60 Å²	60	51%	0.51	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-38.1	177.1	56	0	0	0	0	112.8	D57	D57-S59 PolarHBondContact O-N 3.43Å
60	V	66.1	Low	67.5	Low	90 Å²	90	65.9 Å²	65.9	55%	0.545	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-31.2	-179.7	-175.1	0	0	0	0	110.8	D57 R62 P63	D57-V60 PolarHBondContact O-N 2.87Å; V60-R62 VanDerWaalsContact C-N 3.33Å; V60-R62 PolarHBondContact O-N 3.21Å; V60-P63 WeakPolarHBondContact O-CD 3.19Å
61	L	67.6	Low	67.4	Low	1 Å²	1	69.4 Å²	69.4	1%	0.005	38%	0.382	C	S	.	.	S	Bend	trans	-81.7	-3.9	179.8	-67.5	171.1	0	0	0	114.3	H52 L53 N56 D57 P63 Q64 I65	H52-L61 HydrophobicContact CB-CD1 3.83Å; H52-L61 HydrophobicContact CB-CD2 4.07Å; L53-L61 HydrophobicContact CD1-CD1 4.31Å; N56-L61 HydrophobicContact CB-CD1 3.87Å; N56-L61 HydrophobicContact CB-CD2 3.83Å; N56-L61 HydrophobicContact CB-CG 3.65Å; N56-L61 VanDerWaalsContact O-CD1 3.3Å; N56-L61 WeakPolarHBondContact O-CD1 3.44Å; D57-L61 PolarHBondContact O-N 3.33Å; L61-P63 VanDerWaalsContact C-CD 3.48Å; L61-P63 VanDerWaalsContact C-N 3.35Å; L61-P63 VanDerWaalsContact O-N 3.17Å; L61-Q64 PolarHBondContact O-N 3Å; L61-I65 HydrophobicContact CB-CD1 3.82Å; L61-I65 HydrophobicContact CB-CG1 4.06Å; L61-I65 WeakPolarHBondContact O-CG1 3.46Å; L61-I65 PolarHBondContact O-N 3.28Å
62	R	68.5	Low	67	Low	128 Å²	128	66.7 Å²	66.7	48%	0.483	37%	0.366	S	S	.	.	H	α-helix	trans	-40.7	-52	177.6	-88.5	-168.8	175.4	152.9	16.6	114.4	F58 V60 T66 Y87	F58-R62 PolarHBondContact O-N 2.8Å; V60-R62 VanDerWaalsContact C-N 3.33Å; V60-R62 PolarHBondContact O-N 3.21Å; R62-T66 WeakPolarHBondContact O-CB 3.39Å; R62-T66 PolarHBondContact O-N 2.85Å; R62-T66 PolarHBondContact O-OG1 3.38Å; R62-Y87 WeakPolarHBondContact CG-OH 3.38Å; R62-Y87 PolarHBondContact NE-OH 3.13Å; R62-Y87 PolarHBondContact NH2-OH 3.35Å
63	P	74.8	Confident	66.9	Low	90 Å²	90	67 Å²	67	58%	0.584	37%	0.37	S	S	*	.	H	α-helix	trans	-65.1	-41	-179.9	23.3	-32.6	0	0	0	112.7	V60 L61 T66 E67	V60-P63 WeakPolarHBondContact O-CD 3.19Å; L61-P63 VanDerWaalsContact C-CD 3.48Å; L61-P63 VanDerWaalsContact C-N 3.35Å; L61-P63 VanDerWaalsContact O-N 3.17Å; P63-T66 PolarHBondContact O-N 3.25Å; P63-E67 PolarHBondContact O-N 3.31Å
64	Q	70.1	Confident	66.9	Low	80 Å²	80	66.2 Å²	66.2	37%	0.374	37%	0.366	S	S	.	.	H	α-helix	trans	-67.5	-41.5	179	-63.4	175.1	25.9	0	0	111.6	H52 L61 T66 E67 L68	H52-Q64 PolarHBondContact ND1-OE1 3.49Å; L61-Q64 PolarHBondContact O-N 3Å; Q64-T66 VanDerWaalsContact C-N 3.32Å; Q64-T66 PolarHBondContact O-N 2.87Å; Q64-E67 PolarHBondContact O-N 3.43Å; Q64-L68 WeakPolarHBondContact O-CG 3.24Å; Q64-L68 PolarHBondContact O-N 3.12Å
65	I	69.2	Low	66.9	Low	2 Å²	2	62.8 Å²	62.8	1%	0.01	35%	0.346	C	S	.	.	H	α-helix	trans	-65.3	-38.9	174.9	-62.9	172.6	0	0	0	109.9	I49 F58 L61 E67 L68 M69 L89	I49-I65 HydrophobicContact CD1-CG2 4.2Å; I49-I65 HydrophobicContact CG1-CG1 4.49Å; F58-I65 HydrophobicContact CD1-CD1 4.18Å; F58-I65 HydrophobicContact CD2-CD1 3.84Å; F58-I65 HydrophobicContact CE1-CD1 3.87Å; F58-I65 HydrophobicContact CE2-CD1 3.57Å; F58-I65 HydrophobicContact CG-CD1 4.16Å; F58-I65 HydrophobicContact CZ-CD1 3.6Å; F58-I65 HydrophobicContact CZ-CG2 4.48Å; L61-I65 HydrophobicContact CB-CD1 3.82Å; L61-I65 HydrophobicContact CB-CG1 4.06Å; L61-I65 WeakPolarHBondContact O-CG1 3.46Å; L61-I65 PolarHBondContact O-N 3.28Å; I65-E67 VanDerWaalsContact C-N 3.33Å; I65-E67 PolarHBondContact O-N 2.96Å; I65-L68 PolarHBondContact O-N 3.28Å; I65-M69 HydrophobicContact CG2-CG 4.28Å; I65-M69 HydrophobicContact CG2-SD 4.06Å; I65-M69 WeakPolarHBondContact O-CB 3.38Å; I65-M69 WeakPolarHBondContact O-CG 3.43Å; I65-M69 PolarHBondContact O-N 3.36Å; I65-L89 HydrophobicContact CB-CD2 4.25Å; I65-L89 HydrophobicContact CG2-CD2 3.77Å
66	T	70.2	Confident	67.1	Low	55 Å²	55	64.5 Å²	64.5	34%	0.337	34%	0.34	S	S	.	.	H	α-helix	trans	-64.4	-37.9	176.1	-56.6	0	0	0	0	111.8	R62 P63 Q64 M69 M70	R62-T66 WeakPolarHBondContact O-CB 3.39Å; R62-T66 PolarHBondContact O-N 2.85Å; R62-T66 PolarHBondContact O-OG1 3.38Å; P63-T66 PolarHBondContact O-N 3.25Å; Q64-T66 VanDerWaalsContact C-N 3.32Å; Q64-T66 PolarHBondContact O-N 2.87Å; T66-M69 PolarHBondContact O-N 3.34Å; T66-M70 WeakPolarHBondContact O-CB 3.22Å; T66-M70 PolarHBondContact O-N 3.07Å
67	E	72	Confident	67.4	Low	145 Å²	145	61.1 Å²	61.1	68%	0.678	32%	0.322	S	S	*	.	H	α-helix	trans	-66.3	-44.4	175	-170.6	177.1	-176.8	0	0	111.7	P63 Q64 I65 M69 M70 S71	P63-E67 PolarHBondContact O-N 3.31Å; Q64-E67 PolarHBondContact O-N 3.43Å; I65-E67 VanDerWaalsContact C-N 3.33Å; I65-E67 PolarHBondContact O-N 2.96Å; E67-M69 PolarHBondContact O-N 3.01Å; E67-M70 PolarHBondContact O-N 2.99Å; E67-M70 VanDerWaalsContact O-N 3.17Å; E67-S71 PolarHBondContact O-N 3.5Å
68	L	68.8	Low	67.6	Low	42 Å²	42	55.1 Å²	55.1	22%	0.22	29%	0.29	C	S	.	.	H	α-helix	trans	-62.3	-42.7	173.9	-70.5	173.4	0	0	0	111.6	V45 A48 I49 Q64 I65 M70 S71 A72	V45-L68 HydrophobicContact CG1-CB 4.1Å; A48-L68 HydrophobicContact CB-CD1 4.18Å; I49-L68 HydrophobicContact CG1-CD1 3.99Å; Q64-L68 WeakPolarHBondContact O-CG 3.24Å; Q64-L68 PolarHBondContact O-N 3.12Å; I65-L68 PolarHBondContact O-N 3.28Å; L68-M70 VanDerWaalsContact C-N 3.29Å; L68-M70 PolarHBondContact O-N 3.44Å; L68-S71 PolarHBondContact O-N 2.82Å; L68-S71 PolarHBondContact O-OG 2.97Å; L68-A72 PolarHBondContact O-N 2.96Å
69	M	68.4	Low	67.9	Low	1 Å²	1	54.8 Å²	54.8	1%	0.005	29%	0.289	C	S	.	.	H	α-helix	trans	-60	-38.1	174	-74.6	174.6	70.1	0	0	112	I65 T66 E67 D73 I74 V77 L89 R91	I65-M69 HydrophobicContact CG2-CG 4.28Å; I65-M69 HydrophobicContact CG2-SD 4.06Å; I65-M69 WeakPolarHBondContact O-CB 3.38Å; I65-M69 WeakPolarHBondContact O-CG 3.43Å; I65-M69 PolarHBondContact O-N 3.36Å; T66-M69 PolarHBondContact O-N 3.34Å; E67-M69 PolarHBondContact O-N 3.01Å; M69-D73 PolarHBondContact O-N 3.22Å; M69-I74 HydrophobicContact CB-CB 4.27Å; M69-I74 HydrophobicContact CE-CG2 4.32Å; M69-I74 WeakPolarHBondContact CE-O 3.31Å; M69-I74 HydrophobicContact CG-CB 4.19Å; M69-I74 HydrophobicContact CG-CG2 4.35Å; M69-I74 PolarHBondContact O-N 3.27Å; M69-V77 HydrophobicContact CE-CG2 3.92Å; M69-V77 HydrophobicContact CG-CG2 3.65Å; M69-V77 HydrophobicContact SD-CB 4.13Å; M69-V77 HydrophobicContact SD-CG2 3.57Å; M69-V77 VanDerWaalsContact SD-CG2 3.57Å; M69-L89 HydrophobicContact SD-CD2 3.79Å; M69-L89 HydrophobicContact SD-CG 4.15Å; M69-R91 HydrophobicContact CE-CB 4.43Å
70	M	68.8	Low	68.2	Low	124 Å²	124	52.4 Å²	52.4	61%	0.611	27%	0.27	S	S	*	.	H	α-helix	trans	-69.5	-35.1	177.5	-175.3	164.7	132.1	0	0	112.4	T66 E67 L68	T66-M70 WeakPolarHBondContact O-CB 3.22Å; T66-M70 PolarHBondContact O-N 3.07Å; E67-M70 PolarHBondContact O-N 2.99Å; E67-M70 VanDerWaalsContact O-N 3.17Å; L68-M70 VanDerWaalsContact C-N 3.29Å; L68-M70 PolarHBondContact O-N 3.44Å
71	S	68.6	Low	68.3	Low	84 Å²	84	53 Å²	53	59%	0.587	27%	0.267	S	S	*	.	H	α-helix	trans	-71.9	-27.6	177.5	69.4	0	0	0	0	114	E67 L68	E67-S71 PolarHBondContact O-N 3.5Å; L68-S71 PolarHBondContact O-N 2.82Å; L68-S71 PolarHBondContact O-OG 2.97Å
72	A	62.9	Low	68.5	Low	7 Å²	7	55.4 Å²	55.4	6%	0.058	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	8.6	179.8	0	0	0	0	0	114.7	V45 L68 I74	V45-A72 HydrophobicContact CB-CB 4.48Å; V45-A72 HydrophobicContact CG2-CB 3.63Å; L68-A72 PolarHBondContact O-N 2.96Å; A72-I74 HydrophobicContact CB-CD1 3.62Å; A72-I74 HydrophobicContact CB-CG1 3.93Å; A72-I74 PolarHBondContact O-N 3.11Å
73	D	64.7	Low	68.4	Low	80 Å²	80	57 Å²	57	43%	0.428	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.2	39.4	180	-152.6	20.2	0	0	0	113.7	M69	M69-D73 PolarHBondContact O-N 3.22Å
74	I	63.6	Low	67.8	Low	3 Å²	3	60.6 Å²	60.6	2%	0.015	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	127.7	-180	-60.2	157.1	0	0	0	108.6	V45 M69 A72 R76 V77 L121	V45-I74 HydrophobicContact CB-CD1 4.26Å; V45-I74 HydrophobicContact CG1-CD1 3.75Å; M69-I74 HydrophobicContact CB-CB 4.27Å; M69-I74 HydrophobicContact CE-CG2 4.32Å; M69-I74 WeakPolarHBondContact CE-O 3.31Å; M69-I74 HydrophobicContact CG-CB 4.19Å; M69-I74 HydrophobicContact CG-CG2 4.35Å; M69-I74 PolarHBondContact O-N 3.27Å; A72-I74 HydrophobicContact CB-CD1 3.62Å; A72-I74 HydrophobicContact CB-CG1 3.93Å; A72-I74 PolarHBondContact O-N 3.11Å; I74-R76 WeakPolarHBondContact CG2-O 3.35Å; I74-V77 HydrophobicContact CG2-CG2 3.71Å; I74-L121 HydrophobicContact CD1-CD2 3.73Å; I74-L121 HydrophobicContact CG2-CB 4.23Å
75	V	65.6	Low	67.7	Low	20 Å²	20	61.1 Å²	61.1	12%	0.121	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	-37	-174.4	180	0	0	0	0	111.5	R91 F104 V122 Q124	V75-R91 PolarHBondContact O-N 3.4Å; V75-F104 HydrophobicContact CB-CE1 4.48Å; V75-F104 HydrophobicContact CG1-CE1 4.23Å; V75-F104 HydrophobicContact CG2-CE1 4.47Å; V75-V122 PolarHBondContact N-O 3.41Å; V75-Q124 HydrophobicContact CG2-CB 3.98Å
76	R	64	Low	67.7	Low	115 Å²	115	65.2 Å²	65.2	43%	0.434	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	140.5	178.8	178.9	-174.5	-59.7	167.5	1.2	111	I74 D78 T88 L89 A90 V122	I74-R76 WeakPolarHBondContact CG2-O 3.35Å; R76-D78 WeakPolarHBondContact CD-OD1 3.48Å; R76-D78 WeakPolarHBondContact CG-OD1 3.29Å; R76-T88 HydrophobicContact CG-CG2 4.37Å; R76-L89 CarbonylContact C-O 3.58Å; R76-L89 WeakPolarHBondContact CA-O 2.99Å; R76-A90 HydrophobicContact CB-CB 4.43Å; R76-A90 HydrophobicContact CG-CB 4.24Å; R76-V122 HydrophobicContact CB-CB 4.04Å; R76-V122 HydrophobicContact CB-CG2 4.29Å; R76-V122 PolarHBondContact N-O 3.4Å; R76-V122 PolarHBondContact O-N 3.06Å
77	V	67.8	Low	67.6	Low	0 Å²	0	64.7 Å²	64.7	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	119.8	171.9	175.5	0	0	0	0	107.8	F58 M69 I74 L89 L119 L121	F58-V77 HydrophobicContact CZ-CG1 4.42Å; M69-V77 HydrophobicContact CE-CG2 3.92Å; M69-V77 HydrophobicContact CG-CG2 3.65Å; M69-V77 HydrophobicContact SD-CB 4.13Å; M69-V77 HydrophobicContact SD-CG2 3.57Å; M69-V77 VanDerWaalsContact SD-CG2 3.57Å; I74-V77 HydrophobicContact CG2-CG2 3.71Å; V77-L89 PolarHBondContact N-O 3.38Å; V77-L89 PolarHBondContact O-N 2.95Å; V77-L119 HydrophobicContact CG1-CD1 3.48Å; V77-L119 VanDerWaalsContact CG1-CD1 3.48Å; V77-L119 HydrophobicContact CG1-CD2 4.17Å; V77-L119 HydrophobicContact CG1-CG 3.85Å; V77-L121 HydrophobicContact CG2-CD2 4.3Å; V77-L121 HydrophobicContact CG2-CG 4.43Å
78	D	69.9	Low	67.4	Low	1 Å²	1	61.1 Å²	61.1	1%	0.005	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	126.1	175.3	-62.4	-30.2	0	0	0	108.8	R76 L80 Q85 Y87 T88 L119 R120	R76-D78 WeakPolarHBondContact CD-OD1 3.48Å; R76-D78 WeakPolarHBondContact CG-OD1 3.29Å; D78-L80 HydrophobicContact CB-CD1 4.27Å; D78-Q85 HydrophobicContact CB-CG 4.44Å; D78-Q85 PolarHBondContact OD1-NE2 3.09Å; D78-Q85 PolarHBondContact OD2-NE2 3.49Å; D78-Y87 CarbonylContact C-O 3.56Å; D78-Y87 WeakPolarHBondContact CA-O 3.12Å; D78-T88 WeakPolarHBondContact OD1-CG2 2.9Å; D78-L119 CarbonylContact O-C 3.46Å; D78-R120 HydrophobicContact CB-CB 4.12Å; D78-R120 PolarHBondContact N-O 3.01Å; D78-R120 PolarHBondContact O-N 3.16Å; D78-R120 IonicContact OD2-CZ 2.79Å; D78-R120 IonicContact OD2-NE 3.35Å; D78-R120 PolarHBondContact OD2-NE 3.46Å; D78-R120 IonicContact OD2-NH2 3.04Å; D78-R120 PolarHBondContact OD2-NH2 2.87Å
79	L	70.2	Confident	67.4	Low	10 Å²	10	60.2 Å²	60.2	5%	0.052	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	114.7	169.5	-172.1	71.1	0	0	0	108.1	L53 F58 V86 Y87 L111 M117 L119	L53-L79 HydrophobicContact CD2-CD1 4.23Å; L53-L79 HydrophobicContact CD2-CD2 4.32Å; F58-L79 HydrophobicContact CD2-CD2 4.05Å; F58-L79 HydrophobicContact CE2-CB 4.39Å; F58-L79 HydrophobicContact CE2-CD2 4.49Å; L79-V86 PolarHBondContact O-N 3.27Å; L79-Y87 PolarHBondContact N-O 3.41Å; L79-Y87 PolarHBondContact O-N 2.81Å; L79-L111 HydrophobicContact CD1-CD1 4.3Å; L79-L111 HydrophobicContact CD1-CD2 4.15Å; L79-M117 HydrophobicContact CD2-SD 4.44Å; L79-L119 HydrophobicContact CB-CD1 4.42Å; L79-L119 HydrophobicContact CD1-CD1 3.82Å
80	L	70.5	Confident	67.3	Low	23 Å²	23	62.2 Å²	62.2	12%	0.12	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	139.3	173.9	-59	100	0	0	0	109.8	D78 K84 M117 S118 R120	D78-L80 HydrophobicContact CB-CD1 4.27Å; L80-K84 CarbonylContact C-O 3.54Å; L80-K84 WeakPolarHBondContact CA-O 3.28Å; L80-M117 CarbonylContact O-C 3.53Å; L80-M117 WeakPolarHBondContact O-CA 3.29Å; L80-S118 WeakPolarHBondContact CA-O 3.24Å; L80-S118 PolarHBondContact N-O 3Å; L80-S118 PolarHBondContact O-N 3.29Å; L80-R120 HydrophobicContact CD1-CB 3.3Å; L80-R120 HydrophobicContact CD1-CG 4.49Å
81	H	68.3	Low	67.1	Low	101 Å²	101	60.3 Å²	60.3	47%	0.468	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	102.6	167.8	-172.9	90.5	0	0	0	107.1	D83 K84 V86 G116 M117	H81-D83 PolarHBondContact O-N 3.45Å; H81-K84 PolarHBondContact N-O 2.67Å; H81-K84 PolarHBondContact O-N 2.9Å; H81-K84 VanDerWaalsContact O-N 3.11Å; H81-V86 HydrophobicContact CB-CG2 3.36Å; H81-G116 CarbonylContact C-O 3.54Å; H81-G116 WeakPolarHBondContact CA-O 3.34Å; H81-M117 HydrophobicContact CB-CG 4.09Å; H81-M117 HydrophobicContact CB-SD 4.49Å; H81-M117 WeakPolarHBondContact ND1-CG 3.46Å
82	G	71.3	Confident	66.4	Low	52 Å²	52	64.4 Å²	64.4	54%	0.536	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.3	-117.6	-163.4	0	0	0	0	0	110.7	G116	G82-G116 PolarHBondContact N-O 2.89Å
83	D	66.3	Low	66	Low	162 Å²	162	66.6 Å²	66.6	87%	0.866	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	-3.5	179.5	-153.7	27.3	0	0	0	112.8	H81	H81-D83 PolarHBondContact O-N 3.45Å
84	K	63.1	Low	65.4	Low	165 Å²	165	64.1 Å²	64.1	72%	0.717	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.6	123.2	-178	-69.5	-171.5	179.2	-178.6	0	110.9	L80 H81 V86	L80-K84 CarbonylContact C-O 3.54Å; L80-K84 WeakPolarHBondContact CA-O 3.28Å; H81-K84 PolarHBondContact N-O 2.67Å; H81-K84 PolarHBondContact O-N 2.9Å; H81-K84 VanDerWaalsContact O-N 3.11Å; K84-V86 PolarHBondContact O-N 3.35Å
85	Q	68	Low	64.7	Low	91 Å²	91	73.6 Å²	73.6	43%	0.425	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	109.1	168.8	-168.4	172.4	16.1	0	0	109.1	D78 T88	D78-Q85 HydrophobicContact CB-CG 4.44Å; D78-Q85 PolarHBondContact OD1-NE2 3.09Å; D78-Q85 PolarHBondContact OD2-NE2 3.49Å; Q85-T88 VanDerWaalsContact CD-OG1 3.22Å; Q85-T88 PolarHBondContact NE2-OG1 3Å
86	V	69.3	Low	64.2	Low	89 Å²	89	80.2 Å²	80.2	54%	0.539	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	-32.6	179.3	-179.2	0	0	0	0	110.5	L79 H81 K84	L79-V86 PolarHBondContact O-N 3.27Å; H81-V86 HydrophobicContact CB-CG2 3.36Å; K84-V86 PolarHBondContact O-N 3.35Å
87	Y	68.3	Low	63.8	Low	43 Å²	43	77.6 Å²	77.6	17%	0.169	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	142.7	-177.8	-152.4	-90	0	0	0	112.8	F58 R62 D78 L79 L89	F58-Y87 AromaticContact CD1-CD1 3.25Å; F58-Y87 HydrophobicContact CD1-CD1 3.25Å; F58-Y87 HydrophobicContact CD1-CD2 4.08Å; F58-Y87 AromaticContact CD1-CE1 3.17Å; F58-Y87 HydrophobicContact CD1-CE1 3.17Å; F58-Y87 HydrophobicContact CD1-CE2 4.01Å; F58-Y87 AromaticContact CD1-CG 3.65Å; F58-Y87 HydrophobicContact CD1-CG 3.65Å; F58-Y87 AromaticContact CD1-CZ 3.47Å; F58-Y87 VanDerWaalsContact CD1-CZ 3.47Å; F58-Y87 AromaticContact CE1-CD1 3.02Å; F58-Y87 HydrophobicContact CE1-CD1 3.02Å; F58-Y87 AromaticContact CE1-CE1 3.06Å; F58-Y87 HydrophobicContact CE1-CE1 3.06Å; F58-Y87 AromaticContact CE1-CG 3.84Å; F58-Y87 HydrophobicContact CE1-CG 3.84Å; F58-Y87 AromaticContact CE1-CZ 3.88Å; F58-Y87 HydrophobicContact CG-CD1 4.27Å; F58-Y87 HydrophobicContact CG-CE1 4.44Å; F58-Y87 HydrophobicContact CG-CG 4.32Å; F58-Y87 AromaticContact CZ-CD1 3.86Å; F58-Y87 HydrophobicContact CZ-CD1 3.86Å; F58-Y87 HydrophobicContact CZ-CE1 4.24Å; R62-Y87 WeakPolarHBondContact CG-OH 3.38Å; R62-Y87 PolarHBondContact NE-OH 3.13Å; R62-Y87 PolarHBondContact NH2-OH 3.35Å; D78-Y87 CarbonylContact C-O 3.56Å; D78-Y87 WeakPolarHBondContact CA-O 3.12Å; L79-Y87 PolarHBondContact N-O 3.41Å; L79-Y87 PolarHBondContact O-N 2.81Å; Y87-L89 HydrophobicContact CD1-CB 4.45Å; Y87-L89 HydrophobicContact CE1-CB 4.25Å
88	T	67.9	Low	62.7	Low	70 Å²	70	85.1 Å²	85.1	43%	0.429	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	118.6	176.2	-52.7	0	0	0	0	108	R76 D78 Q85	R76-T88 HydrophobicContact CG-CG2 4.37Å; D78-T88 WeakPolarHBondContact OD1-CG2 2.9Å; Q85-T88 VanDerWaalsContact CD-OG1 3.22Å; Q85-T88 PolarHBondContact NE2-OG1 3Å
89	L	68	Low	61.9	Low	24 Å²	24	87.8 Å²	87.8	13%	0.126	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	106.7	169.5	-173.6	63.8	0	0	0	108.4	F58 I65 M69 R76 V77 Y87	F58-L89 HydrophobicContact CE1-CB 4.37Å; I65-L89 HydrophobicContact CB-CD2 4.25Å; I65-L89 HydrophobicContact CG2-CD2 3.77Å; M69-L89 HydrophobicContact SD-CD2 3.79Å; M69-L89 HydrophobicContact SD-CG 4.15Å; R76-L89 CarbonylContact C-O 3.58Å; R76-L89 WeakPolarHBondContact CA-O 2.99Å; V77-L89 PolarHBondContact N-O 3.38Å; V77-L89 PolarHBondContact O-N 2.95Å; Y87-L89 HydrophobicContact CD1-CB 4.45Å; Y87-L89 HydrophobicContact CE1-CB 4.25Å
90	A	65.9	Low	61.1	Low	43 Å²	43	88.2 Å²	88.2	36%	0.355	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	134.4	174.8	0	0	0	0	0	109.8	R76	R76-A90 HydrophobicContact CB-CB 4.43Å; R76-A90 HydrophobicContact CG-CB 4.24Å
91	R	64.1	Low	60.3	Low	83 Å²	83	89.2 Å²	89.2	31%	0.313	49%	0.494	S	S	.	.			trans	-93	110.6	174.7	-171.6	-179.7	178.8	-149	1.6	109.1	M69 V75 G93	M69-R91 HydrophobicContact CE-CB 4.43Å; V75-R91 PolarHBondContact O-N 3.4Å; R91-G93 PolarHBondContact O-N 3.05Å
92	N	54.9	Low	59.6	Low	171 Å²	171	89.7 Å²	89.7	91%	0.914	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	11.3	-179.9	-73.1	-16.3	0	0	0	114.9
93	G	54.2	Low	58.8	Low	52 Å²	52	89.9 Å²	89.9	54%	0.536	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.4	21.2	-167	0	0	0	0	0	115.3	R91 Y95	R91-G93 PolarHBondContact O-N 3.05Å; G93-Y95 PolarHBondContact O-N 2.91Å
94	S	52.2	Low	58.5	Low	29 Å²	29	86.6 Å²	86.6	20%	0.203	47%	0.466	C	S	.	.			trans	-68.5	126.3	172.2	38.4	0	0	0	0	109.8	R96	S94-R96 PolarHBondContact O-N 2.96Å
95	Y	49.3	Very low	58.4	Low	202 Å²	202	83.1 Å²	83.1	79%	0.792	45%	0.449	S	S	*	.			trans	-53.6	110.1	173	177.9	-98.9	0	0	0	108.8	G93 P97	G93-Y95 PolarHBondContact O-N 2.91Å; Y95-P97 HydrophobicContact CE1-CB 4.28Å; Y95-P97 WeakPolarHBondContact O-CD 3.35Å
96	R	54.4	Low	58.2	Low	158 Å²	158	84.2 Å²	84.2	60%	0.596	45%	0.454	S	S	*	.			trans	-92	102.4	175.3	-67.2	179.5	70	125.7	8.4	107.9	S94 V98 D102	S94-R96 PolarHBondContact O-N 2.96Å; R96-V98 PolarHBondContact O-N 3.19Å; R96-D102 IonicContact NH2-OD1 3.45Å; R96-D102 PolarHBondContact NH2-OD1 3.3Å
97	P	55.4	Low	58	Low	60 Å²	60	82.4 Å²	82.4	39%	0.39	44%	0.441	S	S	.	.			trans	-62.2	130.7	165.8	23.7	-27.9	0	0	0	108.2	Y95 G99 S100	Y95-P97 HydrophobicContact CE1-CB 4.28Å; Y95-P97 WeakPolarHBondContact O-CD 3.35Å; P97-G99 PolarHBondContact O-N 3.22Å; P97-G99 VanDerWaalsContact O-N 3.13Å; P97-S100 PolarHBondContact O-N 3.46Å; P97-S100 PolarHBondContact O-OG 2.76Å
98	V	46.2	Very low	57.7	Low	158 Å²	158	84.5 Å²	84.5	96%	0.958	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	120.9	178.1	-179.3	0	0	0	0	108.3	R96	R96-V98 PolarHBondContact O-N 3.19Å
99	G	53.3	Low	57.6	Low	57 Å²	57	82.4 Å²	82.4	59%	0.588	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.7	7.2	-177.5	0	0	0	0	0	115.8	P97 S101 N129	P97-G99 PolarHBondContact O-N 3.22Å; P97-G99 VanDerWaalsContact O-N 3.13Å; G99-S101 PolarHBondContact O-N 3.02Å; G99-N129 VanDerWaalsContact O-CG 3.32Å; G99-N129 PolarHBondContact O-ND2 3.34Å; G99-N129 PolarHBondContact O-OD1 3.35Å
100	S	52.9	Low	57.5	Low	20 Å²	20	85.8 Å²	85.8	14%	0.14	47%	0.472	C	S	.	.			trans	-67.3	115.3	169	63.4	0	0	0	0	111.1	P97	P97-S100 PolarHBondContact O-N 3.46Å; P97-S100 PolarHBondContact O-OG 2.76Å
101	S	52.8	Low	57.4	Low	44 Å²	44	84.2 Å²	84.2	31%	0.308	46%	0.458	S	S	.	.			trans	-59.1	138.5	167	57.8	0	0	0	0	110.9	G99 L103 G128 N129	G99-S101 PolarHBondContact O-N 3.02Å; S101-L103 PolarHBondContact O-N 3.14Å; S101-L103 WeakPolarHBondContact OG-CD1 3.19Å; S101-G128 PolarHBondContact OG-O 3.39Å; S101-N129 PolarHBondContact N-OD1 2.89Å; S101-N129 VanDerWaalsContact N-OD1 3.09Å; S101-N129 PolarHBondContact OG-OD1 2.97Å
102	D	53	Low	57.4	Low	110 Å²	110	87.5 Å²	87.5	59%	0.588	48%	0.48	S	S	*	.			trans	-68.9	43.2	177.6	-71.7	-37.3	0	0	0	112.9	R96 F104	R96-D102 IonicContact NH2-OD1 3.45Å; R96-D102 PolarHBondContact NH2-OD1 3.3Å; D102-F104 VanDerWaalsContact C-N 3.29Å; D102-F104 HydrophobicContact CB-CD2 4.19Å; D102-F104 HydrophobicContact CB-CE2 3.82Å; D102-F104 WeakPolarHBondContact O-CD2 3.45Å; D102-F104 PolarHBondContact O-N 3.33Å
103	L	56	Low	57.8	Low	56 Å²	56	84.1 Å²	84.1	29%	0.293	46%	0.457	S	S	.	.			trans	-79.9	87.5	168.3	-83.4	92.7	0	0	0	108.5	S101 D125	S101-L103 PolarHBondContact O-N 3.14Å; S101-L103 WeakPolarHBondContact OG-CD1 3.19Å; L103-D125 PolarHBondContact O-N 3.3Å
104	F	60.3	Low	58.2	Low	94 Å²	94	83.9 Å²	83.9	41%	0.412	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	130	163.8	-65.4	-75.3	0	0	0	108.6	V75 D102 V122	V75-F104 HydrophobicContact CB-CE1 4.48Å; V75-F104 HydrophobicContact CG1-CE1 4.23Å; V75-F104 HydrophobicContact CG2-CE1 4.47Å; D102-F104 VanDerWaalsContact C-N 3.29Å; D102-F104 HydrophobicContact CB-CD2 4.19Å; D102-F104 HydrophobicContact CB-CE2 3.82Å; D102-F104 WeakPolarHBondContact O-CD2 3.45Å; D102-F104 PolarHBondContact O-N 3.33Å; F104-V122 HydrophobicContact CB-CG1 3.57Å; F104-V122 HydrophobicContact CD1-CG1 3.83Å; F104-V122 HydrophobicContact CG-CG1 3.99Å
105	R	60.6	Low	58.8	Low	92 Å²	92	88.2 Å²	88.2	35%	0.347	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	130.2	172.1	-170	174.6	-76.2	-165.4	4	108.8	V122 Y123 D125	R105-V122 WeakPolarHBondContact O-CA 3.32Å; R105-Y123 HydrophobicContact CB-CD2 4.13Å; R105-Y123 HydrophobicContact CB-CE1 4.13Å; R105-Y123 HydrophobicContact CB-CE2 3.63Å; R105-Y123 WeakPolarHBondContact CD-OH 3.1Å; R105-Y123 HydrophobicContact CG-CE1 4.2Å; R105-Y123 HydrophobicContact CG-CE2 4.08Å; R105-Y123 WeakPolarHBondContact CG-OH 3.21Å; R105-Y123 PolarHBondContact N-O 3.13Å; R105-Y123 VanDerWaalsContact O-CD1 3.3Å; R105-Y123 WeakPolarHBondContact O-CD1 3.43Å; R105-Y123 PolarHBondContact O-N 3.07Å; R105-D125 WeakPolarHBondContact CB-OD1 3.5Å; R105-D125 WeakPolarHBondContact CD-OD1 3.47Å; R105-D125 IonicContact CZ-OD1 3.3Å; R105-D125 IonicContact CZ-OD2 3.52Å; R105-D125 IonicContact NE-OD1 3.72Å; R105-D125 PolarHBondContact NE-OD1 2.96Å; R105-D125 IonicContact NE-OD2 3.79Å; R105-D125 PolarHBondContact NE-OD2 3.35Å; R105-D125 VanDerWaalsContact NE-OD2 3.13Å; R105-D125 IonicContact NH2-OD2 3.13Å
106	E	63.2	Low	59.6	Low	114 Å²	114	81.1 Å²	81.1	53%	0.533	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	127.7	179.4	-54.2	-169.3	165.7	0	0	108.5	R120 L121 V122	E106-R120 HydrophobicContact CB-CG 4.24Å; E106-R120 WeakPolarHBondContact OE2-CD 3.42Å; E106-R120 IonicContact OE2-NH1 3.35Å; E106-L121 WeakPolarHBondContact CA-O 3.48Å; E106-V122 HydrophobicContact CG-CG2 4.22Å
107	L	64.7	Low	60.2	Low	51 Å²	51	75.4 Å²	75.4	27%	0.267	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	113.7	166.7	-172.7	73.7	0	0	0	108.2	V42 V109 R120 L121 Y123	V42-L107 HydrophobicContact CB-CD2 4.06Å; V42-L107 HydrophobicContact CG1-CB 4.36Å; V42-L107 HydrophobicContact CG1-CD2 3.53Å; L107-V109 HydrophobicContact CD2-CG2 3.68Å; L107-V109 HydrophobicContact CG-CG2 3.85Å; L107-R120 WeakPolarHBondContact O-CA 3.47Å; L107-L121 PolarHBondContact N-O 3.01Å; L107-L121 PolarHBondContact O-N 2.98Å; L107-Y123 HydrophobicContact CB-CE1 4.05Å
108	S	62.3	Low	60.7	Low	86 Å²	86	74 Å²	74	60%	0.601	43%	0.429	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88	112.3	168.6	50.5	0	0	0	0	109.3	L119	S108-L119 CarbonylContact C-O 3.55Å; S108-L119 WeakPolarHBondContact CA-O 3.39Å
109	V	65.3	Low	61.6	Low	27 Å²	27	66.6 Å²	66.6	16%	0.164	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	117	174.2	-175.8	0	0	0	0	107.8	A46 L107 L111 S118 L119 L121	A46-V109 HydrophobicContact CB-CB 3.84Å; A46-V109 HydrophobicContact CB-CG1 3.85Å; A46-V109 HydrophobicContact CB-CG2 3.78Å; L107-V109 HydrophobicContact CD2-CG2 3.68Å; L107-V109 HydrophobicContact CG-CG2 3.85Å; V109-L111 PolarHBondContact O-N 2.93Å; V109-S118 WeakPolarHBondContact O-CA 3.36Å; V109-L119 PolarHBondContact N-O 2.98Å; V109-L119 PolarHBondContact O-N 2.94Å; V109-L121 HydrophobicContact CG2-CD1 4.09Å
110	P	65.6	Low	62.4	Low	94 Å²	94	67 Å²	67	61%	0.61	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.9	132	172.9	27.3	-32.5	0	0	0	109.4	I112	P110-I112 PolarHBondContact O-N 3.28Å
111	L	64	Low	63	Low	11 Å²	11	66 Å²	66	6%	0.058	36%	0.361	C	S	.	.			trans	-73.7	121.3	175.3	-80.5	73.9	0	0	0	108.2	D50 L53 L79 V109 K113 H114 M117 L119	D50-L111 HydrophobicContact CB-CG 4.28Å; D50-L111 WeakPolarHBondContact OD1-CB 3.47Å; D50-L111 WeakPolarHBondContact OD1-CD2 3.27Å; D50-L111 WeakPolarHBondContact OD1-CG 3.4Å; L53-L111 HydrophobicContact CD2-CD2 3.97Å; L79-L111 HydrophobicContact CD1-CD1 4.3Å; L79-L111 HydrophobicContact CD1-CD2 4.15Å; V109-L111 PolarHBondContact O-N 2.93Å; L111-K113 VanDerWaalsContact C-N 3.34Å; L111-H114 HydrophobicContact CB-CB 4.02Å; L111-H114 HydrophobicContact CD2-CB 4.19Å; L111-M117 HydrophobicContact CB-CB 4.38Å; L111-M117 HydrophobicContact CD1-CB 4.35Å; L111-M117 HydrophobicContact CD2-CB 4.25Å; L111-M117 PolarHBondContact N-O 2.96Å; L111-L119 HydrophobicContact CD1-CB 3.74Å
112	I	65.8	Low	63.6	Low	152 Å²	152	64.3 Å²	64.3	78%	0.779	35%	0.349	S	S	*	.	S	Bend	trans	-73.6	-35	-178.5	-61.7	174.5	0	0	0	109.6	D50 P110 H114	D50-I112 PolarHBondContact OD2-N 3.29Å; P110-I112 PolarHBondContact O-N 3.28Å; I112-H114 VanDerWaalsContact C-N 3.33Å
113	K	62.7	Low	64.1	Low	100 Å²	100	59.3 Å²	59.3	44%	0.435	32%	0.322	S	S	.	.	S	Bend	trans	-83	-12	-177.3	-58.6	-175.6	-177.7	173.2	0	113.5	D50 T51 V54 L111	D50-K113 WeakPolarHBondContact OD2-CG 3.33Å; D50-K113 PolarHBondContact OD2-N 3.09Å; D50-K113 VanDerWaalsContact OD2-N 3.17Å; T51-K113 PolarHBondContact OG1-NZ 3.31Å; V54-K113 HydrophobicContact CG2-CB 4.11Å; V54-K113 HydrophobicContact CG2-CD 3.35Å; V54-K113 HydrophobicContact CG2-CG 4.36Å; L111-K113 VanDerWaalsContact C-N 3.34Å
114	H	62.2	Low	64.4	Low	46 Å²	46	58.3 Å²	58.3	21%	0.213	32%	0.316	C	S	.	.	S	Bend	trans	-130.1	85.3	-179.7	-64.2	94.5	0	0	0	110.9	D50 L111 I112 G116 M117	D50-H114 IonicContact OD1-ND1 3.65Å; D50-H114 PolarHBondContact OD1-ND1 3.41Å; L111-H114 HydrophobicContact CB-CB 4.02Å; L111-H114 HydrophobicContact CD2-CB 4.19Å; I112-H114 VanDerWaalsContact C-N 3.33Å; H114-G116 PolarHBondContact O-N 3.4Å; H114-M117 HydrophobicContact CB-CB 4.07Å; H114-M117 HydrophobicContact CB-CE 3.33Å; H114-M117 HydrophobicContact CB-CG 4.33Å; H114-M117 WeakPolarHBondContact CD2-CE 3.33Å; H114-M117 VanDerWaalsContact CG-CE 3.41Å; H114-M117 PolarHBondContact O-N 3.45Å
115	P	65	Low	64.3	Low	121 Å²	121	54.6 Å²	54.6	79%	0.786	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	126	-178.2	23.3	-32.2	0	0	0	110.6
116	G	66.5	Low	64	Low	52 Å²	52	52.8 Å²	52.8	54%	0.536	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.1	-6.8	-176	0	0	0	0	0	114.9	H81 G82 H114	H81-G116 CarbonylContact C-O 3.54Å; H81-G116 WeakPolarHBondContact CA-O 3.34Å; G82-G116 PolarHBondContact N-O 2.89Å; H114-G116 PolarHBondContact O-N 3.4Å
117	M	66	Low	63.6	Low	39 Å²	39	49.4 Å²	49.4	19%	0.192	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	140.3	171.9	-65.1	-159.9	-80.8	0	0	111.9	L79 L80 H81 L111 H114	L79-M117 HydrophobicContact CD2-SD 4.44Å; L80-M117 CarbonylContact O-C 3.53Å; L80-M117 WeakPolarHBondContact O-CA 3.29Å; H81-M117 HydrophobicContact CB-CG 4.09Å; H81-M117 HydrophobicContact CB-SD 4.49Å; H81-M117 WeakPolarHBondContact ND1-CG 3.46Å; L111-M117 HydrophobicContact CB-CB 4.38Å; L111-M117 HydrophobicContact CD1-CB 4.35Å; L111-M117 HydrophobicContact CD2-CB 4.25Å; L111-M117 PolarHBondContact N-O 2.96Å; H114-M117 HydrophobicContact CB-CB 4.07Å; H114-M117 HydrophobicContact CB-CE 3.33Å; H114-M117 HydrophobicContact CB-CG 4.33Å; H114-M117 WeakPolarHBondContact CD2-CE 3.33Å; H114-M117 VanDerWaalsContact CG-CE 3.41Å; H114-M117 PolarHBondContact O-N 3.45Å
118	S	65.9	Low	63	Low	30 Å²	30	47.3 Å²	47.3	21%	0.21	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	138.5	172.1	65	0	0	0	0	110.6	L80 V109	L80-S118 WeakPolarHBondContact CA-O 3.24Å; L80-S118 PolarHBondContact N-O 3Å; L80-S118 PolarHBondContact O-N 3.29Å; V109-S118 WeakPolarHBondContact O-CA 3.36Å
119	L	66.3	Low	62.5	Low	2 Å²	2	47.6 Å²	47.6	1%	0.01	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	115.1	175.2	-158.5	67.6	0	0	0	107.1	A46 I49 V77 D78 L79 S108 V109 L111 L121	A46-L119 HydrophobicContact CB-CD2 4.29Å; I49-L119 HydrophobicContact CB-CD2 4.07Å; I49-L119 HydrophobicContact CD1-CD2 3.82Å; I49-L119 HydrophobicContact CG2-CD1 4.42Å; I49-L119 HydrophobicContact CG2-CD2 3.78Å; V77-L119 HydrophobicContact CG1-CD1 3.48Å; V77-L119 VanDerWaalsContact CG1-CD1 3.48Å; V77-L119 HydrophobicContact CG1-CD2 4.17Å; V77-L119 HydrophobicContact CG1-CG 3.85Å; D78-L119 CarbonylContact O-C 3.46Å; L79-L119 HydrophobicContact CB-CD1 4.42Å; L79-L119 HydrophobicContact CD1-CD1 3.82Å; S108-L119 CarbonylContact C-O 3.55Å; S108-L119 WeakPolarHBondContact CA-O 3.39Å; V109-L119 PolarHBondContact N-O 2.98Å; V109-L119 PolarHBondContact O-N 2.94Å; L111-L119 HydrophobicContact CD1-CB 3.74Å; L119-L121 HydrophobicContact CB-CD1 4.01Å; L119-L121 HydrophobicContact CD2-CD1 3.84Å; L119-L121 HydrophobicContact CD2-CD2 4.06Å; L119-L121 HydrophobicContact CD2-CG 4.02Å; L119-L121 HydrophobicContact CG-CD1 3.84Å; L119-L121 HydrophobicContact CG-CG 4.08Å; L119-L121 WeakPolarHBondContact O-CD1 2.96Å
120	R	69.2	Low	61.9	Low	65 Å²	65	54.3 Å²	54.3	25%	0.245	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	108.9	169.4	178.6	176.5	72.8	179	-2.6	108.6	D78 L80 E106 L107	D78-R120 HydrophobicContact CB-CB 4.12Å; D78-R120 PolarHBondContact N-O 3.01Å; D78-R120 PolarHBondContact O-N 3.16Å; D78-R120 IonicContact OD2-CZ 2.79Å; D78-R120 IonicContact OD2-NE 3.35Å; D78-R120 PolarHBondContact OD2-NE 3.46Å; D78-R120 IonicContact OD2-NH2 3.04Å; D78-R120 PolarHBondContact OD2-NH2 2.87Å; L80-R120 HydrophobicContact CD1-CB 3.3Å; L80-R120 HydrophobicContact CD1-CG 4.49Å; E106-R120 HydrophobicContact CB-CG 4.24Å; E106-R120 WeakPolarHBondContact OE2-CD 3.42Å; E106-R120 IonicContact OE2-NH1 3.35Å; L107-R120 WeakPolarHBondContact O-CA 3.47Å
121	L	65.3	Low	61.3	Low	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	123.9	176.6	-54.3	93.4	0	0	0	107.9	V42 V45 A46 I74 V77 E106 L107 V109 L119	V42-L121 HydrophobicContact CG1-CB 4.21Å; V42-L121 HydrophobicContact CG1-CD1 4.48Å; V42-L121 HydrophobicContact CG1-CD2 4.17Å; V45-L121 HydrophobicContact CG1-CD2 4.44Å; A46-L121 HydrophobicContact CB-CD1 4.09Å; I74-L121 HydrophobicContact CD1-CD2 3.73Å; I74-L121 HydrophobicContact CG2-CB 4.23Å; V77-L121 HydrophobicContact CG2-CD2 4.3Å; V77-L121 HydrophobicContact CG2-CG 4.43Å; E106-L121 WeakPolarHBondContact CA-O 3.48Å; L107-L121 PolarHBondContact N-O 3.01Å; L107-L121 PolarHBondContact O-N 2.98Å; V109-L121 HydrophobicContact CG2-CD1 4.09Å; L119-L121 HydrophobicContact CB-CD1 4.01Å; L119-L121 HydrophobicContact CD2-CD1 3.84Å; L119-L121 HydrophobicContact CD2-CD2 4.06Å; L119-L121 HydrophobicContact CD2-CG 4.02Å; L119-L121 HydrophobicContact CG-CD1 3.84Å; L119-L121 HydrophobicContact CG-CG 4.08Å; L119-L121 WeakPolarHBondContact O-CD1 2.96Å
122	V	65.2	Low	60.6	Low	8 Å²	8	59.6 Å²	59.6	5%	0.048	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	110.8	175.1	-170.6	0	0	0	0	107.3	V75 R76 F104 R105 E106	V75-V122 PolarHBondContact N-O 3.41Å; R76-V122 HydrophobicContact CB-CB 4.04Å; R76-V122 HydrophobicContact CB-CG2 4.29Å; R76-V122 PolarHBondContact N-O 3.4Å; R76-V122 PolarHBondContact O-N 3.06Å; F104-V122 HydrophobicContact CB-CG1 3.57Å; F104-V122 HydrophobicContact CD1-CG1 3.83Å; F104-V122 HydrophobicContact CG-CG1 3.99Å; R105-V122 WeakPolarHBondContact O-CA 3.32Å; E106-V122 HydrophobicContact CG-CG2 4.22Å
123	Y	64	Low	60	Low	5 Å²	5	56.7 Å²	56.7	2%	0.02	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	150.8	176.3	57.2	-89.5	0	0	0	110.4	F38 V42 R105 L107 D125	F38-Y123 AromaticContact CD1-CD2 3.95Å; F38-Y123 HydrophobicContact CD1-CD2 3.95Å; F38-Y123 AromaticContact CD1-CE2 3.68Å; F38-Y123 HydrophobicContact CD1-CE2 3.68Å; F38-Y123 HydrophobicContact CE1-CD1 4.09Å; F38-Y123 AromaticContact CE1-CD2 3.12Å; F38-Y123 HydrophobicContact CE1-CD2 3.12Å; F38-Y123 HydrophobicContact CE1-CE1 4.29Å; F38-Y123 AromaticContact CE1-CE2 3.33Å; F38-Y123 HydrophobicContact CE1-CE2 3.33Å; F38-Y123 AromaticContact CE1-CG 3.49Å; F38-Y123 HydrophobicContact CE1-CG 3.49Å; F38-Y123 VanDerWaalsContact CE1-CG 3.49Å; F38-Y123 AromaticContact CE1-CZ 3.92Å; F38-Y123 AromaticContact CZ-CD2 3.75Å; F38-Y123 HydrophobicContact CZ-CD2 3.75Å; F38-Y123 HydrophobicContact CZ-CE2 4.34Å; F38-Y123 HydrophobicContact CZ-CG 4.03Å; V42-Y123 HydrophobicContact CG1-CD1 4.5Å; V42-Y123 HydrophobicContact CG2-CD1 4.22Å; V42-Y123 HydrophobicContact CG2-CE1 4.33Å; R105-Y123 HydrophobicContact CB-CD2 4.13Å; R105-Y123 HydrophobicContact CB-CE1 4.13Å; R105-Y123 HydrophobicContact CB-CE2 3.63Å; R105-Y123 WeakPolarHBondContact CD-OH 3.1Å; R105-Y123 HydrophobicContact CG-CE1 4.2Å; R105-Y123 HydrophobicContact CG-CE2 4.08Å; R105-Y123 WeakPolarHBondContact CG-OH 3.21Å; R105-Y123 PolarHBondContact N-O 3.13Å; R105-Y123 VanDerWaalsContact O-CD1 3.3Å; R105-Y123 WeakPolarHBondContact O-CD1 3.43Å; R105-Y123 PolarHBondContact O-N 3.07Å; L107-Y123 HydrophobicContact CB-CE1 4.05Å; Y123-D125 VanDerWaalsContact CE2-OD1 3.24Å; Y123-D125 WeakPolarHBondContact CE2-OD1 3.37Å; Y123-D125 PolarHBondContact O-N 3.04Å
124	Q	61.6	Low	59.5	Low	35 Å²	35	58.6 Å²	58.6	16%	0.164	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	121.4	170.7	-172.8	167.6	5.6	0	0	107	V75 P126	V75-Q124 HydrophobicContact CG2-CB 3.98Å; Q124-P126 WeakPolarHBondContact O-CD 3.5Å
125	D	58.2	Low	59.1	Low	17 Å²	17	61.4 Å²	61.4	9%	0.091	33%	0.331	C	S	.	.			trans	-62	112.5	177.7	-92.9	-26.8	0	0	0	108	L103 R105 Y123 M127 G128	L103-D125 PolarHBondContact O-N 3.3Å; R105-D125 WeakPolarHBondContact CB-OD1 3.5Å; R105-D125 WeakPolarHBondContact CD-OD1 3.47Å; R105-D125 IonicContact CZ-OD1 3.3Å; R105-D125 IonicContact CZ-OD2 3.52Å; R105-D125 IonicContact NE-OD1 3.72Å; R105-D125 PolarHBondContact NE-OD1 2.96Å; R105-D125 IonicContact NE-OD2 3.79Å; R105-D125 PolarHBondContact NE-OD2 3.35Å; R105-D125 VanDerWaalsContact NE-OD2 3.13Å; R105-D125 IonicContact NH2-OD2 3.13Å; Y123-D125 VanDerWaalsContact CE2-OD1 3.24Å; Y123-D125 WeakPolarHBondContact CE2-OD1 3.37Å; Y123-D125 PolarHBondContact O-N 3.04Å; D125-M127 PolarHBondContact O-N 3.48Å; D125-G128 PolarHBondContact O-N 2.75Å
126	P	54.7	Low	58.6	Low	53 Å²	53	57.7 Å²	57.7	34%	0.344	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-13.1	-178.8	25.8	-34	0	0	0	112.2	F38 Q124	F38-P126 HydrophobicContact CD2-CG 4.01Å; F38-P126 HydrophobicContact CE2-CG 4.12Å; Q124-P126 WeakPolarHBondContact O-CD 3.5Å
127	M	55.3	Low	58.3	Low	43 Å²	43	59.3 Å²	59.3	21%	0.212	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.7	-1.4	177	-63.4	-66.4	132.2	0	0	113.1	Y31 I34 D125 N129 Y130 F131	Y31-M127 HydrophobicContact CE2-CB 4.32Å; I34-M127 HydrophobicContact CD1-CE 4.1Å; I34-M127 HydrophobicContact CG2-CE 4.31Å; I34-M127 HydrophobicContact CG2-CG 4.23Å; D125-M127 PolarHBondContact O-N 3.48Å; M127-N129 PolarHBondContact O-N 3.17Å; M127-Y130 PolarHBondContact O-N 3.29Å; M127-F131 PolarHBondContact O-N 3.49Å; M127-F131 VanDerWaalsContact O-N 3.12Å; M127-F131 HydrophobicContact SD-CD2 4.5Å; M127-F131 HydrophobicContact SD-CE2 4.37Å
128	G	51.7	Low	58.4	Low	7 Å²	7	59.7 Å²	59.7	7%	0.072	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-33	-173.8	0	0	0	0	0	112.8	S101 D125	S101-G128 PolarHBondContact OG-O 3.39Å; D125-G128 PolarHBondContact O-N 2.75Å
129	N	51.9	Low	58.4	Low	92 Å²	92	60.2 Å²	60.2	49%	0.492	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-17.1	175.4	-151.8	55	0	0	0	114.1	G99 S101 M127	G99-N129 VanDerWaalsContact O-CG 3.32Å; G99-N129 PolarHBondContact O-ND2 3.34Å; G99-N129 PolarHBondContact O-OD1 3.35Å; S101-N129 PolarHBondContact N-OD1 2.89Å; S101-N129 VanDerWaalsContact N-OD1 3.09Å; S101-N129 PolarHBondContact OG-OD1 2.97Å; M127-N129 PolarHBondContact O-N 3.17Å
130	Y	53.4	Low	58.4	Low	169 Å²	169	64.3 Å²	64.3	66%	0.663	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-27	-175.9	-80.6	-79.6	0	0	0	112.7	M127	M127-Y130 PolarHBondContact O-N 3.29Å
131	F	52	Low	58.5	Low	70 Å²	70	65.1 Å²	65.1	31%	0.307	35%	0.352	S	S	.	.			trans	-143	71.6	-171.2	-61.5	-78.1	0	0	0	110.9	Y31 M127 S133 M135	Y31-F131 HydrophobicContact CD2-CD2 4.31Å; Y31-F131 HydrophobicContact CE2-CD2 4.37Å; M127-F131 PolarHBondContact O-N 3.49Å; M127-F131 VanDerWaalsContact O-N 3.12Å; M127-F131 HydrophobicContact SD-CD2 4.5Å; M127-F131 HydrophobicContact SD-CE2 4.37Å; F131-S133 PolarHBondContact O-N 3.4Å; F131-M135 HydrophobicContact CD1-CB 4.04Å; F131-M135 HydrophobicContact CD1-CG 4.19Å; F131-M135 HydrophobicContact CD1-SD 3.6Å; F131-M135 HydrophobicContact CE1-SD 3.86Å
132	H	50.6	Low	59.2	Low	145 Å²	145	67.1 Å²	67.1	67%	0.671	37%	0.372	S	S	*	.			trans	-56.7	100.2	169.8	-173.5	82	0	0	0	109.7	L134	H132-L134 PolarHBondContact O-N 2.96Å
133	S	52.4	Low	59.7	Low	92 Å²	92	67.3 Å²	67.3	64%	0.643	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	24	3.2	161.3	-68.6	0	0	0	0	123.9	F131	F131-S133 PolarHBondContact O-N 3.4Å
134	L	52	Low	60.4	Low	140 Å²	140	71.2 Å²	71.2	73%	0.733	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.5	-23.8	165.6	-110.4	75.6	0	0	0	111.7	H132 T136 A138	H132-L134 PolarHBondContact O-N 2.96Å; L134-T136 PolarHBondContact O-N 3.04Å; L134-A138 WeakPolarHBondContact O-CB 3.36Å; L134-A138 PolarHBondContact O-N 3.46Å; L134-A138 VanDerWaalsContact O-N 3.07Å
135	M	53.1	Low	61.4	Low	105 Å²	105	71.1 Å²	71.1	52%	0.517	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	3.5	-163.6	-143.2	-167.8	-158.7	0	0	114.8	F131 P139	F131-M135 HydrophobicContact CD1-CB 4.04Å; F131-M135 HydrophobicContact CD1-CG 4.19Å; F131-M135 HydrophobicContact CD1-SD 3.6Å; F131-M135 HydrophobicContact CE1-SD 3.86Å; M135-P139 VanDerWaalsContact C-CD 3.49Å; M135-P139 WeakPolarHBondContact O-CD 3.25Å; M135-P139 WeakPolarHBondContact O-CG 3.24Å
136	T	56.4	Low	62.6	Low	43 Å²	43	73.8 Å²	73.8	26%	0.264	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-35.8	170.4	49.7	0	0	0	0	111.4	Y31 L134	Y31-T136 HydrophobicContact CD1-CG2 4.24Å; Y31-T136 HydrophobicContact CE1-CG2 3.51Å; Y31-T136 HydrophobicContact CE2-CG2 3.92Å; Y31-T136 WeakPolarHBondContact OH-CG2 3.35Å; L134-T136 PolarHBondContact O-N 3.04Å
137	T	60.2	Low	63.9	Low	86 Å²	86	74.1 Å²	74.1	53%	0.528	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-34.7	176.2	-40.8	0	0	0	0	111.5	L140 T141	T137-L140 PolarHBondContact O-N 2.96Å; T137-T141 HydrophobicContact CG2-CG2 4.07Å; T137-T141 PolarHBondContact O-N 2.96Å; T137-T141 PolarHBondContact O-OG1 2.9Å; T137-T141 VanDerWaalsContact O-OG1 3.11Å
138	A	66.2	Low	65.2	Low	46 Å²	46	77.1 Å²	77.1	38%	0.38	43%	0.428	S	S	.	.	H	α-helix	trans	-59.8	-37.8	-177.9	0	0	0	0	0	115.4	L134 T141 G142	L134-A138 WeakPolarHBondContact O-CB 3.36Å; L134-A138 PolarHBondContact O-N 3.46Å; L134-A138 VanDerWaalsContact O-N 3.07Å; A138-T141 WeakPolarHBondContact CA-OG1 3.18Å; A138-T141 PolarHBondContact O-OG1 3.28Å; A138-G142 WeakPolarHBondContact O-CA 3.44Å; A138-G142 PolarHBondContact O-N 3.27Å
139	P	66.7	Low	66.8	Low	41 Å²	41	80.6 Å²	80.6	27%	0.266	45%	0.448	S	S	.	.	H	α-helix	trans	-68.5	-37.1	176.9	-19.4	31.7	0	0	0	111.6	M135 A143	M135-P139 VanDerWaalsContact C-CD 3.49Å; M135-P139 WeakPolarHBondContact O-CD 3.25Å; M135-P139 WeakPolarHBondContact O-CG 3.24Å; P139-A143 WeakPolarHBondContact O-CB 3.33Å; P139-A143 PolarHBondContact O-N 3.44Å
140	L	66.8	Low	68.2	Low	89 Å²	89	78.1 Å²	78.1	47%	0.466	43%	0.433	S	S	.	.	H	α-helix	trans	-70.4	-48.5	179.2	-173.6	70.4	0	0	0	110.9	L28 T137 G142 A143 I144	L28-L140 HydrophobicContact CD2-CB 4.26Å; L28-L140 HydrophobicContact CD2-CD1 3.96Å; T137-L140 PolarHBondContact O-N 2.96Å; L140-G142 VanDerWaalsContact C-N 3.33Å; L140-G142 PolarHBondContact O-N 3.47Å; L140-A143 PolarHBondContact O-N 2.91Å; L140-I144 HydrophobicContact CG-CD1 4.17Å; L140-I144 VanDerWaalsContact O-CG1 3.28Å; L140-I144 WeakPolarHBondContact O-CG1 3.45Å; L140-I144 PolarHBondContact O-N 2.7Å
141	T	71.6	Confident	69.7	Low	82 Å²	82	75.1 Å²	75.1	50%	0.503	43%	0.428	S	S	.	.	H	α-helix	trans	-66	-38.4	177	55.3	0	0	0	0	111.5	T137 A138 I144 G145	T137-T141 HydrophobicContact CG2-CG2 4.07Å; T137-T141 PolarHBondContact O-N 2.96Å; T137-T141 PolarHBondContact O-OG1 2.9Å; T137-T141 VanDerWaalsContact O-OG1 3.11Å; A138-T141 WeakPolarHBondContact CA-OG1 3.18Å; A138-T141 PolarHBondContact O-OG1 3.28Å; T141-I144 PolarHBondContact O-N 2.93Å; T141-G145 PolarHBondContact O-N 2.86Å
142	G	78.9	Confident	71.3	Confident	41 Å²	41	78 Å²	78	42%	0.423	44%	0.441	S	S	.	.	H	α-helix	trans	-60.8	-44.8	172.4	0	0	0	0	0	112.4	A138 L140 G145 F146	A138-G142 WeakPolarHBondContact O-CA 3.44Å; A138-G142 PolarHBondContact O-N 3.27Å; L140-G142 VanDerWaalsContact C-N 3.33Å; L140-G142 PolarHBondContact O-N 3.47Å; G142-G145 PolarHBondContact O-N 2.78Å; G142-F146 VanDerWaalsContact O-CB 3.22Å; G142-F146 WeakPolarHBondContact O-CB 3.3Å; G142-F146 PolarHBondContact O-N 2.87Å
143	A	76.2	Confident	72.8	Confident	12 Å²	12	75.4 Å²	75.4	10%	0.099	43%	0.432	C	S	.	.	H	α-helix	trans	-62.7	-45.8	176	0	0	0	0	0	111.8	L24 P139 L140 F146 I147	L24-A143 HydrophobicContact CD1-CB 3.91Å; P139-A143 WeakPolarHBondContact O-CB 3.33Å; P139-A143 PolarHBondContact O-N 3.44Å; L140-A143 PolarHBondContact O-N 2.91Å; A143-F146 PolarHBondContact O-N 2.8Å; A143-I147 VanDerWaalsContact O-CG1 3.24Å; A143-I147 WeakPolarHBondContact O-CG1 3.39Å; A143-I147 PolarHBondContact O-N 3.24Å
144	I	78.3	Confident	74.2	Confident	88 Å²	88	72 Å²	72	45%	0.451	41%	0.408	S	S	.	.	H	α-helix	trans	-61.4	-48	177.2	-66.5	164.3	0	0	0	110.3	L140 T141 F146 I147 I148	L140-I144 HydrophobicContact CG-CD1 4.17Å; L140-I144 VanDerWaalsContact O-CG1 3.28Å; L140-I144 WeakPolarHBondContact O-CG1 3.45Å; L140-I144 PolarHBondContact O-N 2.7Å; T141-I144 PolarHBondContact O-N 2.93Å; I144-F146 VanDerWaalsContact C-N 3.32Å; I144-F146 PolarHBondContact O-N 2.98Å; I144-I147 PolarHBondContact O-N 2.88Å; I144-I148 HydrophobicContact CG2-CD1 3.86Å; I144-I148 VanDerWaalsContact O-CG1 3.31Å; I144-I148 WeakPolarHBondContact O-CG1 3.41Å; I144-I148 PolarHBondContact O-N 3.43Å
145	G	83	Confident	75.5	Confident	32 Å²	32	69 Å²	69	33%	0.33	40%	0.396	S	S	.	.	H	α-helix	trans	-59.4	-42.5	176.7	0	0	0	0	0	112.3	T141 G142 I148 V149	T141-G145 PolarHBondContact O-N 2.86Å; G142-G145 PolarHBondContact O-N 2.78Å; G145-I148 PolarHBondContact O-N 3.36Å; G145-V149 VanDerWaalsContact O-CG2 3.32Å; G145-V149 WeakPolarHBondContact O-CG2 3.44Å; G145-V149 PolarHBondContact O-N 3.06Å
146	F	82.7	Confident	77	Confident	73 Å²	73	69.7 Å²	69.7	32%	0.32	39%	0.393	S	S	.	.	H	α-helix	trans	-64.6	-41.7	177.3	-170.9	-117.9	0	0	0	112.5	L17 F20 G142 A143 I144 V149 M150	L17-F146 HydrophobicContact CD1-CD1 3.27Å; L17-F146 HydrophobicContact CD1-CE1 3.06Å; L17-F146 HydrophobicContact CD1-CG 4.42Å; L17-F146 HydrophobicContact CD1-CZ 4.05Å; L17-F146 HydrophobicContact CG-CE1 4.49Å; F20-F146 HydrophobicContact CD1-CD1 4.03Å; F20-F146 AromaticContact CD1-CE1 3.77Å; F20-F146 HydrophobicContact CD1-CE1 3.77Å; F20-F146 HydrophobicContact CE1-CD1 4.38Å; F20-F146 HydrophobicContact CE1-CE1 4.29Å; F20-F146 HydrophobicContact CG-CE1 4.5Å; G142-F146 VanDerWaalsContact O-CB 3.22Å; G142-F146 WeakPolarHBondContact O-CB 3.3Å; G142-F146 PolarHBondContact O-N 2.87Å; A143-F146 PolarHBondContact O-N 2.8Å; I144-F146 VanDerWaalsContact C-N 3.32Å; I144-F146 PolarHBondContact O-N 2.98Å; F146-V149 PolarHBondContact O-N 3.29Å; F146-M150 HydrophobicContact CE1-CG 4.49Å; F146-M150 HydrophobicContact CE2-CE 3.64Å; F146-M150 HydrophobicContact CE2-CG 4.39Å; F146-M150 HydrophobicContact CZ-CE 3.75Å; F146-M150 HydrophobicContact CZ-CG 4.32Å; F146-M150 WeakPolarHBondContact O-CB 3.47Å; F146-M150 WeakPolarHBondContact O-CG 3.44Å; F146-M150 PolarHBondContact O-N 3.49Å
147	I	81.9	Confident	78.1	Confident	61 Å²	61	71.3 Å²	71.3	31%	0.313	39%	0.394	S	S	.	.	H	α-helix	trans	-61.1	-46.1	174.1	-69.7	164	0	0	0	110.5	V21 A143 I144 M150 L151	V21-I147 HydrophobicContact CG1-CD1 4.11Å; V21-I147 HydrophobicContact CG2-CD1 4.01Å; V21-I147 HydrophobicContact CG2-CG1 3.84Å; A143-I147 VanDerWaalsContact O-CG1 3.24Å; A143-I147 WeakPolarHBondContact O-CG1 3.39Å; A143-I147 PolarHBondContact O-N 3.24Å; I144-I147 PolarHBondContact O-N 2.88Å; I147-M150 PolarHBondContact O-N 2.9Å; I147-L151 HydrophobicContact CG2-CD1 3.93Å; I147-L151 HydrophobicContact CG2-CG 4.37Å; I147-L151 WeakPolarHBondContact O-CB 3.44Å; I147-L151 WeakPolarHBondContact O-CG 3.38Å; I147-L151 PolarHBondContact O-N 3.2Å
148	I	84.1	Confident	79.1	Confident	106 Å²	106	71.5 Å²	71.5	54%	0.544	39%	0.392	S	S	.	.	H	α-helix	trans	-61.6	-46.7	179.1	-68	166.8	0	0	0	110.9	I144 G145 M150 L151 F152	I144-I148 HydrophobicContact CG2-CD1 3.86Å; I144-I148 VanDerWaalsContact O-CG1 3.31Å; I144-I148 WeakPolarHBondContact O-CG1 3.41Å; I144-I148 PolarHBondContact O-N 3.43Å; G145-I148 PolarHBondContact O-N 3.36Å; I148-M150 VanDerWaalsContact C-N 3.33Å; I148-M150 PolarHBondContact O-N 2.86Å; I148-L151 PolarHBondContact O-N 3.47Å; I148-F152 WeakPolarHBondContact O-CB 3.5Å; I148-F152 PolarHBondContact O-N 3.35Å
149	V	84.5	Confident	79.8	Confident	80 Å²	80	75.3 Å²	75.3	49%	0.485	40%	0.401	S	S	.	.	H	α-helix	trans	-61.6	-43.1	178.1	169.8	0	0	0	0	110.9	G145 F146 F152 L153	G145-V149 VanDerWaalsContact O-CG2 3.32Å; G145-V149 WeakPolarHBondContact O-CG2 3.44Å; G145-V149 PolarHBondContact O-N 3.06Å; F146-V149 PolarHBondContact O-N 3.29Å; V149-F152 PolarHBondContact O-N 2.84Å; V149-L153 HydrophobicContact CG1-CD1 4.08Å; V149-L153 HydrophobicContact CG1-CG 4.47Å; V149-L153 WeakPolarHBondContact O-CB 3.46Å; V149-L153 WeakPolarHBondContact O-CG 3.39Å; V149-L153 PolarHBondContact O-N 2.66Å
150	M	81.7	Confident	80.4	Confident	39 Å²	39	80.8 Å²	80.8	19%	0.192	42%	0.417	C	S	.	.	H	α-helix	trans	-69.1	-39.8	179.4	-76.1	-67	165.3	0	0	112.8	L13 L17 F146 I147 I148 F152 L153 A154	L13-M150 HydrophobicContact CD2-SD 3.87Å; L17-M150 HydrophobicContact CD1-CB 4.38Å; L17-M150 HydrophobicContact CD1-CG 3.96Å; L17-M150 HydrophobicContact CD2-CB 3.42Å; L17-M150 VanDerWaalsContact CD2-CB 3.42Å; L17-M150 HydrophobicContact CD2-CG 3.77Å; L17-M150 HydrophobicContact CG-CG 4.44Å; F146-M150 HydrophobicContact CE1-CG 4.49Å; F146-M150 HydrophobicContact CE2-CE 3.64Å; F146-M150 HydrophobicContact CE2-CG 4.39Å; F146-M150 HydrophobicContact CZ-CE 3.75Å; F146-M150 HydrophobicContact CZ-CG 4.32Å; F146-M150 WeakPolarHBondContact O-CB 3.47Å; F146-M150 WeakPolarHBondContact O-CG 3.44Å; F146-M150 PolarHBondContact O-N 3.49Å; I147-M150 PolarHBondContact O-N 2.9Å; I148-M150 VanDerWaalsContact C-N 3.33Å; I148-M150 PolarHBondContact O-N 2.86Å; M150-F152 VanDerWaalsContact C-N 3.32Å; M150-F152 PolarHBondContact O-N 3.31Å; M150-L153 PolarHBondContact O-N 3.44Å; M150-L153 HydrophobicContact SD-CD1 4.37Å; M150-A154 WeakPolarHBondContact O-CB 3.44Å; M150-A154 PolarHBondContact O-N 3.05Å
151	L	83.7	Confident	80.8	Confident	107 Å²	107	78.4 Å²	78.4	56%	0.56	40%	0.403	S	S	*	.	H	α-helix	trans	-60.8	-43	171.8	-77.1	173.1	0	0	0	111.2	I147 I148 A154 V155	I147-L151 HydrophobicContact CG2-CD1 3.93Å; I147-L151 HydrophobicContact CG2-CG 4.37Å; I147-L151 WeakPolarHBondContact O-CB 3.44Å; I147-L151 WeakPolarHBondContact O-CG 3.38Å; I147-L151 PolarHBondContact O-N 3.2Å; I148-L151 PolarHBondContact O-N 3.47Å; L151-A154 WeakPolarHBondContact O-CB 3.48Å; L151-A154 PolarHBondContact O-N 2.78Å; L151-V155 WeakPolarHBondContact O-CB 3.28Å; L151-V155 VanDerWaalsContact O-CG2 3.3Å; L151-V155 WeakPolarHBondContact O-CG2 3.47Å; L151-V155 PolarHBondContact O-N 2.8Å
152	F	85.9	Confident	81	Confident	131 Å²	131	78.2 Å²	78.2	58%	0.575	40%	0.399	S	S	*	.	H	α-helix	trans	-62.1	-46.7	176.6	179.5	-98.9	0	0	0	112	I148 V149 M150 A154 V155 R156	I148-F152 WeakPolarHBondContact O-CB 3.5Å; I148-F152 PolarHBondContact O-N 3.35Å; V149-F152 PolarHBondContact O-N 2.84Å; M150-F152 VanDerWaalsContact C-N 3.32Å; M150-F152 PolarHBondContact O-N 3.31Å; F152-A154 VanDerWaalsContact C-N 3.32Å; F152-A154 PolarHBondContact O-N 2.76Å; F152-V155 PolarHBondContact O-N 2.85Å; F152-R156 VanDerWaalsContact O-CB 3.25Å; F152-R156 WeakPolarHBondContact O-CB 3.38Å; F152-R156 PolarHBondContact O-N 2.91Å
153	L	82.3	Confident	80.9	Confident	90 Å²	90	78.7 Å²	78.7	47%	0.471	40%	0.399	S	S	.	.	H	α-helix	trans	-62.8	-40	175.9	-72.7	175	0	0	0	111.6	V149 M150 W157	V149-L153 HydrophobicContact CG1-CD1 4.08Å; V149-L153 HydrophobicContact CG1-CG 4.47Å; V149-L153 WeakPolarHBondContact O-CB 3.46Å; V149-L153 WeakPolarHBondContact O-CG 3.39Å; V149-L153 PolarHBondContact O-N 2.66Å; M150-L153 PolarHBondContact O-N 3.44Å; M150-L153 HydrophobicContact SD-CD1 4.37Å; L153-W157 WeakPolarHBondContact O-CB 3.36Å; L153-W157 PolarHBondContact O-N 2.87Å
154	A	81.3	Confident	81	Confident	19 Å²	19	80 Å²	80	16%	0.157	41%	0.413	C	S	.	.	H	α-helix	trans	-62.6	-49.5	177.1	0	0	0	0	0	112.3	F10 M150 L151 F152 W157 L158	F10-A154 HydrophobicContact CE2-CB 3.48Å; F10-A154 VanDerWaalsContact CE2-CB 3.48Å; F10-A154 HydrophobicContact CZ-CB 3.61Å; M150-A154 WeakPolarHBondContact O-CB 3.44Å; M150-A154 PolarHBondContact O-N 3.05Å; L151-A154 WeakPolarHBondContact O-CB 3.48Å; L151-A154 PolarHBondContact O-N 2.78Å; F152-A154 VanDerWaalsContact C-N 3.32Å; F152-A154 PolarHBondContact O-N 2.76Å; A154-W157 PolarHBondContact O-N 3.27Å; A154-L158 VanDerWaalsContact O-CB 3.31Å; A154-L158 WeakPolarHBondContact O-CB 3.4Å; A154-L158 PolarHBondContact O-N 2.83Å
155	V	81.2	Confident	80.9	Confident	78 Å²	78	79.7 Å²	79.7	47%	0.473	41%	0.41	S	S	.	.	H	α-helix	trans	-62.7	-47.3	177.1	171.6	0	0	0	0	110.6	L151 F152 W157 L158 Q159	L151-V155 WeakPolarHBondContact O-CB 3.28Å; L151-V155 VanDerWaalsContact O-CG2 3.3Å; L151-V155 WeakPolarHBondContact O-CG2 3.47Å; L151-V155 PolarHBondContact O-N 2.8Å; F152-V155 PolarHBondContact O-N 2.85Å; V155-W157 VanDerWaalsContact C-N 3.27Å; V155-W157 PolarHBondContact O-N 2.79Å; V155-L158 PolarHBondContact O-N 2.77Å; V155-Q159 HydrophobicContact CG1-CG 4.38Å; V155-Q159 WeakPolarHBondContact O-CB 3.33Å; V155-Q159 VanDerWaalsContact O-CG 3.31Å; V155-Q159 WeakPolarHBondContact O-CG 3.41Å; V155-Q159 PolarHBondContact O-N 2.94Å
156	R	82.7	Confident	80.7	Confident	119 Å²	119	83.6 Å²	83.6	45%	0.449	42%	0.419	S	S	.	.	H	α-helix	trans	-61	-37.7	178.2	-176.4	178.2	175	91.4	-7.8	111.8	F152 R160	F152-R156 VanDerWaalsContact O-CB 3.25Å; F152-R156 WeakPolarHBondContact O-CB 3.38Å; F152-R156 PolarHBondContact O-N 2.91Å; R156-R160 VanDerWaalsContact O-CG 3.29Å; R156-R160 WeakPolarHBondContact O-CG 3.06Å; R156-R160 PolarHBondContact O-N 2.82Å
157	W	80.1	Confident	80.6	Confident	77 Å²	77	84.9 Å²	84.9	29%	0.292	43%	0.429	S	S	.	.	H	α-helix	trans	-71.4	-43.3	177	-174.2	92.2	0	0	0	111.7	K6 F10 L153 A154 V155 Q159 R160 Q161	K6-W157 HydrophobicContact CB-CH2 4.14Å; K6-W157 HydrophobicContact CB-CZ2 3.88Å; K6-W157 VanDerWaalsContact O-CH2 3.31Å; K6-W157 WeakPolarHBondContact O-CH2 3.2Å; K6-W157 WeakPolarHBondContact O-CZ2 3.48Å; F10-W157 HydrophobicContact CB-CE3 4.22Å; F10-W157 HydrophobicContact CB-CH2 3.73Å; F10-W157 HydrophobicContact CB-CZ2 4.34Å; F10-W157 HydrophobicContact CB-CZ3 3.65Å; F10-W157 HydrophobicContact CD1-CZ3 4.31Å; F10-W157 HydrophobicContact CD2-CD2 4.29Å; F10-W157 AromaticContact CD2-CE3 3.73Å; F10-W157 HydrophobicContact CD2-CE3 3.73Å; F10-W157 AromaticContact CD2-CZ3 3.99Å; F10-W157 HydrophobicContact CD2-CZ3 3.99Å; F10-W157 HydrophobicContact CE2-CE3 4.34Å; F10-W157 AromaticContact CG-CE3 3.95Å; F10-W157 HydrophobicContact CG-CE3 3.95Å; F10-W157 HydrophobicContact CG-CH2 4.3Å; F10-W157 AromaticContact CG-CZ3 3.7Å; F10-W157 HydrophobicContact CG-CZ3 3.7Å; L153-W157 WeakPolarHBondContact O-CB 3.36Å; L153-W157 PolarHBondContact O-N 2.87Å; A154-W157 PolarHBondContact O-N 3.27Å; V155-W157 VanDerWaalsContact C-N 3.27Å; V155-W157 PolarHBondContact O-N 2.79Å; W157-Q159 PolarHBondContact O-N 3.17Å; W157-R160 WeakPolarHBondContact O-CB 3.3Å; W157-R160 PolarHBondContact O-N 3.04Å; W157-Q161 HydrophobicContact CD2-CG 4.01Å; W157-Q161 VanDerWaalsContact CE2-NE2 3.34Å; W157-Q161 HydrophobicContact CE3-CG 3.9Å; W157-Q161 HydrophobicContact CH2-CG 3.75Å; W157-Q161 HydrophobicContact CZ2-CG 3.88Å; W157-Q161 VanDerWaalsContact CZ2-NE2 3.29Å; W157-Q161 HydrophobicContact CZ3-CG 3.75Å; W157-Q161 WeakPolarHBondContact O-CG 3.45Å; W157-Q161 PolarHBondContact O-N 2.98Å
158	L	81.8	Confident	80.6	Confident	91 Å²	91	87.5 Å²	87.5	48%	0.476	44%	0.443	S	S	.	.	H	α-helix	trans	-60.1	-46.4	176.7	-176.1	65.2	0	0	0	111.4	A154 V155 R160 Q161 L162	A154-L158 VanDerWaalsContact O-CB 3.31Å; A154-L158 WeakPolarHBondContact O-CB 3.4Å; A154-L158 PolarHBondContact O-N 2.83Å; V155-L158 PolarHBondContact O-N 2.77Å; L158-R160 VanDerWaalsContact C-N 3.3Å; L158-R160 PolarHBondContact O-N 3.35Å; L158-Q161 PolarHBondContact O-N 3.09Å; L158-Q161 VanDerWaalsContact O-N 3.09Å; L158-L162 HydrophobicContact CG-CD1 4.17Å; L158-L162 PolarHBondContact O-N 3.06Å
159	Q	80.7	Confident	80.6	Confident	125 Å²	125	88.9 Å²	88.9	58%	0.584	45%	0.447	S	S	*	.	H	α-helix	trans	-57.2	-42.4	174.8	-74.9	175.8	-13.6	0	0	112.1	V155 W157 Q161 L162 A163	V155-Q159 HydrophobicContact CG1-CG 4.38Å; V155-Q159 WeakPolarHBondContact O-CB 3.33Å; V155-Q159 VanDerWaalsContact O-CG 3.31Å; V155-Q159 WeakPolarHBondContact O-CG 3.41Å; V155-Q159 PolarHBondContact O-N 2.94Å; W157-Q159 PolarHBondContact O-N 3.17Å; Q159-Q161 VanDerWaalsContact C-N 3.34Å; Q159-Q161 PolarHBondContact O-N 3.07Å; Q159-L162 PolarHBondContact O-N 3.43Å; Q159-A163 WeakPolarHBondContact O-CB 3.44Å; Q159-A163 PolarHBondContact O-N 3.43Å
160	R	78.6	Confident	80.4	Confident	157 Å²	157	89.4 Å²	89.4	59%	0.592	45%	0.451	S	S	*	.	H	α-helix	trans	-65.5	-34.5	176.3	-74.6	172.8	178.4	-167.1	-4.8	112.9	R156 W157 L158 G164	R156-R160 VanDerWaalsContact O-CG 3.29Å; R156-R160 WeakPolarHBondContact O-CG 3.06Å; R156-R160 PolarHBondContact O-N 2.82Å; W157-R160 WeakPolarHBondContact O-CB 3.3Å; W157-R160 PolarHBondContact O-N 3.04Å; L158-R160 VanDerWaalsContact C-N 3.3Å; L158-R160 PolarHBondContact O-N 3.35Å; R160-G164 PolarHBondContact O-N 2.94Å
161	Q	75.2	Confident	80.6	Confident	38 Å²	38	95.4 Å²	95.4	18%	0.178	47%	0.471	C	S	.	.	H	α-helix	trans	-72.8	-44.6	176.5	-64.2	-59.2	-24.5	0	0	111.6	W157 L158 Q159 G164 Q165	W157-Q161 HydrophobicContact CD2-CG 4.01Å; W157-Q161 VanDerWaalsContact CE2-NE2 3.34Å; W157-Q161 HydrophobicContact CE3-CG 3.9Å; W157-Q161 HydrophobicContact CH2-CG 3.75Å; W157-Q161 HydrophobicContact CZ2-CG 3.88Å; W157-Q161 VanDerWaalsContact CZ2-NE2 3.29Å; W157-Q161 HydrophobicContact CZ3-CG 3.75Å; W157-Q161 WeakPolarHBondContact O-CG 3.45Å; W157-Q161 PolarHBondContact O-N 2.98Å; L158-Q161 PolarHBondContact O-N 3.09Å; L158-Q161 VanDerWaalsContact O-N 3.09Å; Q159-Q161 VanDerWaalsContact C-N 3.34Å; Q159-Q161 PolarHBondContact O-N 3.07Å; Q161-G164 PolarHBondContact O-N 2.94Å; Q161-G164 VanDerWaalsContact O-N 3.12Å; Q161-Q165 PolarHBondContact O-N 3.22Å
162	L	76	Confident	80.7	Confident	79 Å²	79	92.5 Å²	92.5	41%	0.414	46%	0.463	S	S	.	.	H	α-helix	trans	-60	-46.7	178.3	-73.4	171.9	0	0	0	111.4	L158 Q159 G164 Q165 E166	L158-L162 HydrophobicContact CG-CD1 4.17Å; L158-L162 PolarHBondContact O-N 3.06Å; Q159-L162 PolarHBondContact O-N 3.43Å; L162-G164 PolarHBondContact O-N 3.24Å; L162-Q165 PolarHBondContact O-N 2.95Å; L162-E166 WeakPolarHBondContact O-CG 3.44Å; L162-E166 PolarHBondContact O-N 3.02Å
163	A	77.3	Confident	80.7	Confident	51 Å²	51	90.1 Å²	90.1	42%	0.421	46%	0.459	S	S	.	.	H	α-helix	trans	-58.2	-35.4	175.8	0	0	0	0	0	112.5	Q159 L167	Q159-A163 WeakPolarHBondContact O-CB 3.44Å; Q159-A163 PolarHBondContact O-N 3.43Å; A163-L167 WeakPolarHBondContact O-CB 3.5Å; A163-L167 PolarHBondContact O-N 2.9Å
164	G	77.6	Confident	81	Confident	38 Å²	38	95.6 Å²	95.6	39%	0.392	47%	0.474	S	S	.	.	H	α-helix	trans	-68.9	-34.5	174.7	0	0	0	0	0	113.4	R160 Q161 L162 L168	R160-G164 PolarHBondContact O-N 2.94Å; Q161-G164 PolarHBondContact O-N 2.94Å; Q161-G164 VanDerWaalsContact O-N 3.12Å; L162-G164 PolarHBondContact O-N 3.24Å; G164-L168 WeakPolarHBondContact O-CG 3.34Å; G164-L168 PolarHBondContact O-N 2.93Å
165	Q	76.2	Confident	81.2	Confident	83 Å²	83	101.8 Å²	101.8	39%	0.388	50%	0.502	S	S	.	.	H	α-helix	trans	-76.4	-43.5	176.8	-69	-170.5	-69.9	0	0	112.2	L3 Q161 L162 L167 L168 E169	L3-Q165 HydrophobicContact CD1-CG 4.06Å; L3-Q165 VanDerWaalsContact CD2-NE2 3.32Å; Q161-Q165 PolarHBondContact O-N 3.22Å; L162-Q165 PolarHBondContact O-N 2.95Å; Q165-L167 PolarHBondContact O-N 3.38Å; Q165-L168 WeakPolarHBondContact O-CB 3.46Å; Q165-L168 PolarHBondContact O-N 2.82Å; Q165-E169 PolarHBondContact O-N 3.22Å
166	E	80	Confident	81.4	Confident	114 Å²	114	105.7 Å²	105.7	53%	0.533	52%	0.52	S	S	.	.	H	α-helix	trans	-57.7	-38.5	176.3	-72.8	172.6	-175.5	0	0	111.6	L162 L168 E169 T170	L162-E166 WeakPolarHBondContact O-CG 3.44Å; L162-E166 PolarHBondContact O-N 3.02Å; E166-L168 VanDerWaalsContact C-N 3.34Å; E166-L168 PolarHBondContact O-N 2.78Å; E166-E169 PolarHBondContact O-N 2.8Å; E166-T170 WeakPolarHBondContact O-CB 3.47Å; E166-T170 PolarHBondContact O-N 2.92Å; E166-T170 PolarHBondContact O-OG1 3.06Å
167	L	80.6	Confident	81.3	Confident	99 Å²	99	109.2 Å²	109.2	52%	0.518	55%	0.548	S	S	.	.	H	α-helix	trans	-68.7	-33.8	177.6	-131.1	150	0	0	0	112.4	A163 Q165 R171	A163-L167 WeakPolarHBondContact O-CB 3.5Å; A163-L167 PolarHBondContact O-N 2.9Å; Q165-L167 PolarHBondContact O-N 3.38Å; L167-R171 WeakPolarHBondContact O-CB 3.44Å; L167-R171 VanDerWaalsContact O-CG 3.25Å; L167-R171 WeakPolarHBondContact O-CG 3.4Å; L167-R171 PolarHBondContact O-N 3.35Å; L167-R171 VanDerWaalsContact O-N 3.16Å
168	L	81.3	Confident	81.4	Confident	117 Å²	117	110.9 Å²	110.9	61%	0.613	56%	0.56	S	S	*	*	H	α-helix	trans	-73.6	-40.9	174.6	-72.6	172.9	0	0	0	111.3	G164 Q165 E166 R171 A172	G164-L168 WeakPolarHBondContact O-CG 3.34Å; G164-L168 PolarHBondContact O-N 2.93Å; Q165-L168 WeakPolarHBondContact O-CB 3.46Å; Q165-L168 PolarHBondContact O-N 2.82Å; E166-L168 VanDerWaalsContact C-N 3.34Å; E166-L168 PolarHBondContact O-N 2.78Å; L168-R171 PolarHBondContact O-N 3.44Å; L168-A172 WeakPolarHBondContact O-CB 3.11Å; L168-A172 PolarHBondContact O-N 3.17Å
169	E	83.6	Confident	81.4	Confident	134 Å²	134	111.9 Å²	111.9	63%	0.626	57%	0.565	S	S	*	*	H	α-helix	trans	-62.2	-46.9	175.6	-172.9	172.3	-176.2	0	0	110.9	Q165 E166 R171 A172 T173	Q165-E169 PolarHBondContact O-N 3.22Å; E166-E169 PolarHBondContact O-N 2.8Å; E169-R171 PolarHBondContact O-N 3.19Å; E169-A172 PolarHBondContact O-N 3.45Å; E169-A172 VanDerWaalsContact O-N 3.11Å; E169-T173 WeakPolarHBondContact O-CG2 3.48Å; E169-T173 PolarHBondContact O-N 3.35Å; E169-T173 PolarHBondContact O-OG1 3.3Å
170	T	81.3	Confident	81.4	Confident	92 Å²	92	111.2 Å²	111.2	56%	0.564	56%	0.564	S	S	*	*	H	α-helix	trans	-60.1	-34.1	175.4	-52.9	0	0	0	0	112.4	E166 T173 R174	E166-T170 WeakPolarHBondContact O-CB 3.47Å; E166-T170 PolarHBondContact O-N 2.92Å; E166-T170 PolarHBondContact O-OG1 3.06Å; T170-T173 WeakPolarHBondContact CA-OG1 3.49Å; T170-T173 PolarHBondContact O-OG1 3.18Å; T170-R174 PolarHBondContact O-N 2.78Å
171	R	85.5	Confident	81.6	Confident	164 Å²	164	108.5 Å²	108.5	62%	0.619	56%	0.562	S	S	*	*	H	α-helix	trans	-74.7	-39.7	174.8	-77.3	177.4	-177.7	-159	1.4	112	L167 L168 E169 R174 I175	L167-R171 WeakPolarHBondContact O-CB 3.44Å; L167-R171 VanDerWaalsContact O-CG 3.25Å; L167-R171 WeakPolarHBondContact O-CG 3.4Å; L167-R171 PolarHBondContact O-N 3.35Å; L167-R171 VanDerWaalsContact O-N 3.16Å; L168-R171 PolarHBondContact O-N 3.44Å; E169-R171 PolarHBondContact O-N 3.19Å; R171-R174 PolarHBondContact O-N 2.92Å; R171-I175 WeakPolarHBondContact O-CG1 3.37Å; R171-I175 PolarHBondContact O-N 3.23Å
172	A	86	Confident	82	Confident	47 Å²	47	112.9 Å²	112.9	39%	0.388	59%	0.586	S	S	.	*	H	α-helix	trans	-65.7	-42.5	178.4	0	0	0	0	0	111.3	L168 E169 R174 I175 L176	L168-A172 WeakPolarHBondContact O-CB 3.11Å; L168-A172 PolarHBondContact O-N 3.17Å; E169-A172 PolarHBondContact O-N 3.45Å; E169-A172 VanDerWaalsContact O-N 3.11Å; A172-R174 VanDerWaalsContact C-N 3.33Å; A172-R174 PolarHBondContact O-N 2.99Å; A172-I175 PolarHBondContact O-N 2.78Å; A172-I175 VanDerWaalsContact O-N 3.11Å; A172-L176 PolarHBondContact O-N 3.11Å
173	T	86.1	Confident	82.4	Confident	80 Å²	80	115.1 Å²	115.1	49%	0.491	60%	0.598	S	S	.	*	H	α-helix	trans	-63.5	-36.8	176.4	54.5	0	0	0	0	112.3	E169 T170 I175 L176 N177	E169-T173 WeakPolarHBondContact O-CG2 3.48Å; E169-T173 PolarHBondContact O-N 3.35Å; E169-T173 PolarHBondContact O-OG1 3.3Å; T170-T173 WeakPolarHBondContact CA-OG1 3.49Å; T170-T173 PolarHBondContact O-OG1 3.18Å; T173-I175 VanDerWaalsContact C-N 3.3Å; T173-I175 PolarHBondContact O-N 2.8Å; T173-L176 PolarHBondContact O-N 3.25Å; T173-N177 WeakPolarHBondContact O-CB 3.21Å; T173-N177 PolarHBondContact O-N 3.17Å; T173-N177 VanDerWaalsContact O-N 3.14Å
174	R	87.2	Confident	82.7	Confident	206 Å²	206	119.7 Å²	119.7	78%	0.777	61%	0.61	S	S	*	*	H	α-helix	trans	-68.8	-23.3	173.5	-176.5	-178.6	-83.6	-170.9	-4.5	113.9	T170 R171 A172 N177	T170-R174 PolarHBondContact O-N 2.78Å; R171-R174 PolarHBondContact O-N 2.92Å; A172-R174 VanDerWaalsContact C-N 3.33Å; A172-R174 PolarHBondContact O-N 2.99Å; R174-N177 VanDerWaalsContact O-OXT 3.14Å
175	I	86.8	Confident	83.1	Confident	149 Å²	149	126 Å²	126	76%	0.764	63%	0.627	S	S	*	*	H	α-helix	trans	-84.1	-33.7	176.1	-67	165.1	0	0	0	110.7	R171 A172 T173	R171-I175 WeakPolarHBondContact O-CG1 3.37Å; R171-I175 PolarHBondContact O-N 3.23Å; A172-I175 PolarHBondContact O-N 2.78Å; A172-I175 VanDerWaalsContact O-N 3.11Å; T173-I175 VanDerWaalsContact C-N 3.3Å; T173-I175 PolarHBondContact O-N 2.8Å
176	L	85.6	Confident	83.7	Confident	160 Å²	160	129.6 Å²	129.6	84%	0.838	65%	0.647	S	S	*	*	H	α-helix	trans	-79.9	-20.3	-178.6	-108.3	135.9	0	0	0	114.1	A172 T173	A172-L176 PolarHBondContact O-N 3.11Å; T173-L176 PolarHBondContact O-N 3.25Å
177	N	80.3	Confident	84	Confident	193 Å²	193	131 Å²	131	100%	1.032	66%	0.657	S	S	*	*			trans	-119.6	0	-178.7	-175.6	80.6	0	0	0	111	T173 R174	T173-N177 WeakPolarHBondContact O-CB 3.21Å; T173-N177 PolarHBondContact O-N 3.17Å; T173-N177 VanDerWaalsContact O-N 3.14Å; R174-N177 VanDerWaalsContact O-OXT 3.14Å

Retrieved 177 of 177 residues in 365.8 ms (Link to these results)

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