A0A077ZEY6_TRITR Loading...

DUF1647 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZEY6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 213 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	30.4	Very low	29.3	Very low	238 Å²	238	148.7 Å²	148.7	100%	1.172	77%	0.768	S	S	*	*				0	109.6	0	-83.7	172.9	169.9	0	0	109	V3	M1-V3 PolarHBondContact O-N 3.17Å
2	A	26.6	Very low	30	Very low	102 Å²	102	143.4 Å²	143.4	84%	0.843	73%	0.731	S	S	*	*			trans	-80	107	-178.3	0	0	0	0	0	110	K4	A2-K4 PolarHBondContact O-N 2.71Å
3	V	25.3	Very low	30.6	Very low	114 Å²	114	140.5 Å²	140.5	69%	0.691	71%	0.71	S	S	*	*			trans	-75.8	89.9	174	178.6	0	0	0	0	108.3	M1 R5	M1-V3 PolarHBondContact O-N 3.17Å; V3-R5 VanDerWaalsContact C-N 3.28Å; V3-R5 HydrophobicContact CG1-CB 4.18Å; V3-R5 HydrophobicContact CG1-CG 3.59Å; V3-R5 PolarHBondContact O-N 3.06Å
4	K	24.1	Very low	30.9	Very low	205 Å²	205	133.7 Å²	133.7	89%	0.891	67%	0.674	S	S	*	*			trans	-69.9	88.3	160	-88.1	-177.7	175.9	177.1	0	107.7	A2	A2-K4 PolarHBondContact O-N 2.71Å
5	R	30.1	Very low	31.4	Very low	219 Å²	219	127.7 Å²	127.7	83%	0.826	64%	0.644	S	S	*	*			trans	-96.6	99.8	163.1	-86.3	176.6	-176.7	-180	1.5	108.3	V3 L7	V3-R5 VanDerWaalsContact C-N 3.28Å; V3-R5 HydrophobicContact CG1-CB 4.18Å; V3-R5 HydrophobicContact CG1-CG 3.59Å; V3-R5 PolarHBondContact O-N 3.06Å; R5-L7 PolarHBondContact O-N 3.08Å
6	T	29.6	Very low	31.6	Very low	135 Å²	135	126.4 Å²	126.4	83%	0.828	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-55.1	117.7	160.8	24.7	0	0	0	0	108.6	P8	T6-P8 WeakPolarHBondContact O-CD 3.4Å
7	L	28.5	Very low	32	Very low	139 Å²	139	121.4 Å²	121.4	73%	0.728	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-62.9	122.9	169.4	-97.6	100.2	0	0	0	108.3	R5 F11	R5-L7 PolarHBondContact O-N 3.08Å; L7-F11 HydrophobicContact CD2-CD2 4.16Å; L7-F11 HydrophobicContact CD2-CE2 4.01Å
8	P	28.4	Very low	32.3	Very low	86 Å²	86	118.4 Å²	118.4	56%	0.558	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-72.3	150.5	175.5	31.1	-33.2	0	0	0	110.4	T6 Y10	T6-P8 WeakPolarHBondContact O-CD 3.4Å; P8-Y10 HydrophobicContact CB-CD2 3.68Å; P8-Y10 HydrophobicContact CB-CE2 3.99Å; P8-Y10 HydrophobicContact CG-CD2 3.97Å; P8-Y10 PolarHBondContact O-N 3.04Å
9	S	34.8	Very low	32.3	Very low	96 Å²	96	113 Å²	113	67%	0.671	58%	0.576	S	S	*	*	G	3₁₀ helix	trans	-65.7	13.6	-170.7	57.3	0	0	0	0	116.3	F11	S9-F11 PolarHBondContact O-N 3.44Å
10	Y	32.6	Very low	32.5	Very low	175 Å²	175	111.2 Å²	111.2	69%	0.686	57%	0.574	S	S	*	*	G	3₁₀ helix	trans	-73.8	-5.3	-173.9	-71.1	-76.7	0	0	0	115.1	P8 R12	P8-Y10 HydrophobicContact CB-CD2 3.68Å; P8-Y10 HydrophobicContact CB-CE2 3.99Å; P8-Y10 HydrophobicContact CG-CD2 3.97Å; P8-Y10 PolarHBondContact O-N 3.04Å; Y10-R12 PolarHBondContact O-N 3.14Å; Y10-R12 VanDerWaalsContact O-N 3.09Å
11	F	32.3	Very low	32.6	Very low	127 Å²	127	110 Å²	110	56%	0.557	58%	0.575	S	S	*	*	G	3₁₀ helix	trans	-73.1	4.1	-179.9	-98.7	-81.3	0	0	0	115.4	L7 S9 F14 V196	L7-F11 HydrophobicContact CD2-CD2 4.16Å; L7-F11 HydrophobicContact CD2-CE2 4.01Å; S9-F11 PolarHBondContact O-N 3.44Å; F11-F14 HydrophobicContact CD1-CD2 4.41Å; F11-F14 HydrophobicContact CD1-CE2 4.01Å; F11-F14 HydrophobicContact CE1-CE2 4.37Å; F11-V196 HydrophobicContact CE1-CG1 4.46Å
12	R	37.9	Very low	33	Very low	85 Å²	85	101.8 Å²	101.8	32%	0.321	55%	0.545	S	S	.	.	G	3₁₀ helix	trans	-82.3	-10.8	-167.4	-84.2	175.7	174.1	-124	28.9	116.2	Y10 N98 E104	Y10-R12 PolarHBondContact O-N 3.14Å; Y10-R12 VanDerWaalsContact O-N 3.09Å; R12-N98 PolarHBondContact NH1-ND2 2.98Å; R12-N98 PolarHBondContact NH2-ND2 3.37Å; R12-E104 IonicContact CZ-OE2 3.74Å; R12-E104 IonicContact NH1-OE2 2.69Å; R12-E104 PolarHBondContact NH1-OE2 2.66Å; R12-E104 IonicContact NH2-OE2 3.58Å
13	K	37.6	Very low	33.7	Very low	106 Å²	106	104 Å²	104	46%	0.461	54%	0.541	S	S	.	.			trans	-134.2	84.5	-174.6	-51.1	-163.3	-166	179.6	0	111.7	Y112	K13-Y112 HydrophobicContact CB-CE2 4.28Å; K13-Y112 HydrophobicContact CD-CE2 3.67Å
14	F	34.1	Very low	34.4	Very low	45 Å²	45	104.1 Å²	104.1	20%	0.197	55%	0.547	C	S	.	.			trans	-127.5	119.5	169.6	-75.5	-79.6	0	0	0	109.2	F11 F16 V196 A200 L205	F11-F14 HydrophobicContact CD1-CD2 4.41Å; F11-F14 HydrophobicContact CD1-CE2 4.01Å; F11-F14 HydrophobicContact CE1-CE2 4.37Å; F14-F16 HydrophobicContact CB-CD2 4.2Å; F14-F16 HydrophobicContact CB-CE2 3.79Å; F14-V196 HydrophobicContact CD1-CG1 4.38Å; F14-V196 HydrophobicContact CE1-CB 4.39Å; F14-V196 HydrophobicContact CE1-CG1 3.41Å; F14-V196 VanDerWaalsContact CE1-CG1 3.41Å; F14-V196 HydrophobicContact CE1-CG2 4.17Å; F14-V196 HydrophobicContact CE2-CG1 3.92Å; F14-V196 HydrophobicContact CZ-CB 4.48Å; F14-V196 HydrophobicContact CZ-CG1 3.16Å; F14-A200 HydrophobicContact CZ-CB 4.17Å; F14-L205 HydrophobicContact CE1-CB 3.92Å; F14-L205 HydrophobicContact CE1-CD1 3.97Å; F14-L205 HydrophobicContact CZ-CD1 4.41Å
15	I	38.7	Very low	35.2	Very low	44 Å²	44	101.1 Å²	101.1	23%	0.226	54%	0.54	C	S	.	.			trans	-92.9	117.2	165	-71.9	169.5	0	0	0	106.7	V17 P109 F206 F207	I15-V17 HydrophobicContact CG2-CG2 4.08Å; I15-P109 HydrophobicContact CD1-CB 4.41Å; I15-P109 HydrophobicContact CD1-CG 4.35Å; I15-F206 HydrophobicContact CB-CD1 3.68Å; I15-F206 HydrophobicContact CB-CE1 3.65Å; I15-F206 HydrophobicContact CD1-CD1 4.17Å; I15-F206 HydrophobicContact CD1-CE1 3.21Å; I15-F206 HydrophobicContact CD1-CZ 3.54Å; I15-F206 HydrophobicContact CG1-CD1 4.43Å; I15-F206 HydrophobicContact CG1-CE1 3.91Å; I15-F206 HydrophobicContact CG1-CZ 4.46Å; I15-F206 HydrophobicContact CG2-CD1 3.98Å; I15-F206 HydrophobicContact CG2-CE1 3.96Å; I15-F207 PolarHBondContact O-N 3.24Å; I15-F207 VanDerWaalsContact O-O 3.13Å
16	F	34.7	Very low	35.4	Very low	107 Å²	107	91.7 Å²	91.7	47%	0.469	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	107.9	170.5	-74.6	-86	0	0	0	107.9	F14 F207	F14-F16 HydrophobicContact CB-CD2 4.2Å; F14-F16 HydrophobicContact CB-CE2 3.79Å; F16-F207 HydrophobicContact CD1-CD1 4.31Å; F16-F207 AromaticContact CE1-CD1 3.97Å; F16-F207 HydrophobicContact CE1-CD1 3.97Å
17	V	38.3	Very low	35.8	Very low	41 Å²	41	87.2 Å²	87.2	25%	0.248	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	117.6	166.6	-179.2	0	0	0	0	107.4	I15 T209	I15-V17 HydrophobicContact CG2-CG2 4.08Å; V17-T209 PolarHBondContact O-N 2.72Å
18	V	37.3	Very low	36.1	Very low	68 Å²	68	84.1 Å²	84.1	41%	0.412	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	102.7	176.4	-178.4	0	0	0	0	107.7	K211	V18-K211 HydrophobicContact CG1-CB 4Å
19	G	32.3	Very low	36.2	Very low	15 Å²	15	85 Å²	85	16%	0.155	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	122.6	174.6	0	0	0	0	0	111.7
20	S	37.2	Very low	36.4	Very low	77 Å²	77	82.4 Å²	82.4	54%	0.538	44%	0.444	S	S	.	.			trans	-80.9	138	165.7	-70.6	0	0	0	0	110.3	A22	S20-A22 PolarHBondContact O-N 3.07Å
21	S	34.6	Very low	36.7	Very low	86 Å²	86	77.3 Å²	77.3	60%	0.601	43%	0.427	S	S	*	.			trans	-80.4	99.5	-179.9	49.7	0	0	0	0	111.6
22	A	37.2	Very low	36.9	Very low	66 Å²	66	74.4 Å²	74.4	55%	0.545	42%	0.42	S	S	.	.			trans	-149.5	101.3	159.1	0	0	0	0	0	110.4	S20	S20-A22 PolarHBondContact O-N 3.07Å
23	I	41.6	Very low	36.7	Very low	148 Å²	148	75.2 Å²	75.2	76%	0.759	43%	0.428	S	S	*	.			trans	68.2	133.5	145.1	-48.9	170	0	0	0	117.8	L25 G26	I23-L25 PolarHBondContact O-N 3.09Å; I23-G26 WeakPolarHBondContact O-CA 3.39Å; I23-G26 PolarHBondContact O-N 3.04Å
24	S	41.3	Very low	36.7	Very low	116 Å²	116	75.1 Å²	75.1	81%	0.811	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.2	17	-170.2	49.4	0	0	0	0	121.8
25	L	39.6	Very low	37	Very low	142 Å²	142	76.7 Å²	76.7	74%	0.743	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134	-13	163.8	-90.7	148.8	0	0	0	111.4	I23	I23-L25 PolarHBondContact O-N 3.09Å
26	G	35.1	Very low	36.8	Very low	21 Å²	21	79.1 Å²	79.1	22%	0.216	45%	0.446	C	S	.	.	H	α-helix	trans	-73	-22.6	-177.7	0	0	0	0	0	114.6	I23 M29 I30	I23-G26 WeakPolarHBondContact O-CA 3.39Å; I23-G26 PolarHBondContact O-N 3.04Å; G26-M29 CarbonylContact O-C 3.46Å; G26-M29 PolarHBondContact O-N 2.83Å; G26-I30 WeakPolarHBondContact O-CB 3.38Å; G26-I30 WeakPolarHBondContact O-CD1 3.47Å; G26-I30 WeakPolarHBondContact O-CG1 3.4Å; G26-I30 PolarHBondContact O-N 2.72Å
27	V	38.6	Very low	36.9	Very low	41 Å²	41	76.1 Å²	76.1	25%	0.248	44%	0.441	C	S	.	.	H	α-helix	trans	-73.3	-34.7	179.9	-178.5	0	0	0	0	112	I30 I31 V134	V27-I30 PolarHBondContact O-N 3.32Å; V27-I31 PolarHBondContact O-N 2.73Å; V27-V134 HydrophobicContact CB-CG1 4.16Å; V27-V134 HydrophobicContact CG1-CG1 4.38Å; V27-V134 HydrophobicContact CG2-CG1 3.77Å
28	L	34.3	Very low	36.9	Very low	75 Å²	75	77 Å²	77	39%	0.393	44%	0.444	S	S	.	.	H	α-helix	trans	-65.3	-44.5	172.9	-155.6	84	0	0	0	110.6	I31 V32 Y142	L28-I31 PolarHBondContact O-N 3.38Å; L28-V32 WeakPolarHBondContact O-CG2 3.29Å; L28-V32 PolarHBondContact O-N 3.18Å; L28-V32 VanDerWaalsContact O-N 3.15Å; L28-Y142 HydrophobicContact CD1-CE2 3.79Å; L28-Y142 WeakPolarHBondContact CD1-OH 3.35Å; L28-Y142 VanDerWaalsContact CG-OH 3.32Å; L28-Y142 WeakPolarHBondContact CG-OH 3.39Å
29	M	29.8	Very low	37.2	Very low	103 Å²	103	79.9 Å²	79.9	51%	0.507	45%	0.453	S	S	.	.	H	α-helix	trans	-62.2	-40.8	171.5	-79.9	-80.6	-75.3	0	0	111.4	G26 I31 V32 E33	G26-M29 CarbonylContact O-C 3.46Å; G26-M29 PolarHBondContact O-N 2.83Å; M29-I31 PolarHBondContact O-N 2.99Å; M29-V32 PolarHBondContact O-N 3.22Å; M29-E33 HydrophobicContact CE-CG 4.35Å; M29-E33 WeakPolarHBondContact CE-OE1 3.24Å; M29-E33 WeakPolarHBondContact O-CA 3.19Å; M29-E33 WeakPolarHBondContact O-CB 3.42Å; M29-E33 WeakPolarHBondContact O-CG 3.48Å; M29-E33 PolarHBondContact O-N 3.41Å
30	I	40.1	Very low	37.7	Very low	43 Å²	43	84 Å²	84	22%	0.221	48%	0.479	C	S	.	.	H	α-helix	trans	-65.6	-42.3	179.8	-71.8	159.1	0	0	0	110.6	G26 V27 Y34	G26-I30 WeakPolarHBondContact O-CB 3.38Å; G26-I30 WeakPolarHBondContact O-CD1 3.47Å; G26-I30 WeakPolarHBondContact O-CG1 3.4Å; G26-I30 PolarHBondContact O-N 2.72Å; V27-I30 PolarHBondContact O-N 3.32Å; I30-Y34 WeakPolarHBondContact O-CA 3.44Å; I30-Y34 WeakPolarHBondContact O-CB 3.41Å; I30-Y34 PolarHBondContact O-N 3.28Å
31	I	37.9	Very low	38.1	Very low	67 Å²	67	84 Å²	84	34%	0.344	48%	0.479	S	S	.	.	H	α-helix	trans	-69	-39.7	179.3	-64.1	174.8	0	0	0	111.3	V27 L28 M29 H35 S138 Y142	V27-I31 PolarHBondContact O-N 2.73Å; L28-I31 PolarHBondContact O-N 3.38Å; M29-I31 PolarHBondContact O-N 2.99Å; I31-H35 WeakPolarHBondContact O-CB 3.44Å; I31-H35 PolarHBondContact O-N 3.05Å; I31-S138 WeakPolarHBondContact CD1-OG 3.42Å; I31-Y142 HydrophobicContact CD1-CE2 4.41Å
32	V	36.8	Very low	38.8	Very low	66 Å²	66	84.1 Å²	84.1	40%	0.4	47%	0.473	S	S	.	.	H	α-helix	trans	-75.2	-42	179.7	175.4	0	0	0	0	112.3	L28 M29 Y34 H35 N36	L28-V32 WeakPolarHBondContact O-CG2 3.29Å; L28-V32 PolarHBondContact O-N 3.18Å; L28-V32 VanDerWaalsContact O-N 3.15Å; M29-V32 PolarHBondContact O-N 3.22Å; V32-Y34 VanDerWaalsContact C-N 3.34Å; V32-H35 PolarHBondContact O-N 3.25Å; V32-N36 WeakPolarHBondContact O-CB 3.44Å; V32-N36 PolarHBondContact O-N 2.95Å; V32-N36 PolarHBondContact O-ND2 2.88Å
33	E	34.2	Very low	39.6	Very low	103 Å²	103	84.3 Å²	84.3	48%	0.481	47%	0.468	S	S	.	.	H	α-helix	trans	-65.8	-36	170.4	-76.7	177.3	138.5	0	0	110.7	M29 H35 A37	M29-E33 HydrophobicContact CE-CG 4.35Å; M29-E33 WeakPolarHBondContact CE-OE1 3.24Å; M29-E33 WeakPolarHBondContact O-CA 3.19Å; M29-E33 WeakPolarHBondContact O-CB 3.42Å; M29-E33 WeakPolarHBondContact O-CG 3.48Å; M29-E33 PolarHBondContact O-N 3.41Å; E33-H35 VanDerWaalsContact C-N 3.33Å; E33-A37 WeakPolarHBondContact O-CA 3.46Å; E33-A37 WeakPolarHBondContact O-CB 3.4Å; E33-A37 PolarHBondContact O-N 3.16Å
34	Y	36.6	Very low	40.3	Very low	104 Å²	104	86.9 Å²	86.9	41%	0.408	47%	0.474	S	S	.	.	H	α-helix	trans	-68.3	-36.1	173.1	-147	-92.7	0	0	0	110.3	I30 V32 L38	I30-Y34 WeakPolarHBondContact O-CA 3.44Å; I30-Y34 WeakPolarHBondContact O-CB 3.41Å; I30-Y34 PolarHBondContact O-N 3.28Å; V32-Y34 VanDerWaalsContact C-N 3.34Å; Y34-L38 HydrophobicContact CD1-CD1 4.48Å; Y34-L38 HydrophobicContact CE1-CD1 4.08Å; Y34-L38 WeakPolarHBondContact O-CA 3.35Å; Y34-L38 WeakPolarHBondContact O-CB 3.4Å; Y34-L38 PolarHBondContact O-N 3.17Å
35	H	40	Very low	41.5	Very low	78 Å²	78	84.7 Å²	84.7	36%	0.361	45%	0.453	S	S	.	.	H	α-helix	trans	-64.5	-50.1	173.8	-156.9	-72.2	0	0	0	111.7	I31 V32 E33 L38 E39	I31-H35 WeakPolarHBondContact O-CB 3.44Å; I31-H35 PolarHBondContact O-N 3.05Å; V32-H35 PolarHBondContact O-N 3.25Å; E33-H35 VanDerWaalsContact C-N 3.33Å; H35-L38 PolarHBondContact O-N 2.97Å; H35-E39 IonicContact CE1-OE2 3.01Å; H35-E39 IonicContact ND1-OE2 3.81Å; H35-E39 PolarHBondContact ND1-OE2 2.7Å; H35-E39 PolarHBondContact O-N 2.96Å
36	N	36.4	Very low	42.7	Very low	95 Å²	95	79.6 Å²	79.6	51%	0.508	43%	0.429	S	S	.	.	H	α-helix	trans	-70.9	-36	-179.4	-72.9	-29.3	0	0	0	112.8	V32 S40	V32-N36 WeakPolarHBondContact O-CB 3.44Å; V32-N36 PolarHBondContact O-N 2.95Å; V32-N36 PolarHBondContact O-ND2 2.88Å; N36-S40 VanDerWaalsContact O-CB 3.27Å; N36-S40 WeakPolarHBondContact O-CB 3.19Å; N36-S40 PolarHBondContact O-N 2.93Å; N36-S40 PolarHBondContact O-OG 3.21Å
37	A	36.3	Very low	44.4	Very low	43 Å²	43	81.9 Å²	81.9	36%	0.355	44%	0.439	S	S	.	.	H	α-helix	trans	-72.1	-40.6	174.3	0	0	0	0	0	110.6	E33 E39 S40 S41	E33-A37 WeakPolarHBondContact O-CA 3.46Å; E33-A37 WeakPolarHBondContact O-CB 3.4Å; E33-A37 PolarHBondContact O-N 3.16Å; A37-E39 PolarHBondContact O-N 2.59Å; A37-S40 WeakPolarHBondContact CA-OG 3.38Å; A37-S40 PolarHBondContact O-N 3.46Å; A37-S40 PolarHBondContact O-OG 2.9Å; A37-S41 WeakPolarHBondContact O-CA 3.36Å; A37-S41 WeakPolarHBondContact O-CB 3.18Å; A37-S41 PolarHBondContact O-N 3.04Å; A37-S41 PolarHBondContact O-OG 3.5Å
38	L	38.7	Very low	45.9	Very low	60 Å²	60	80.6 Å²	80.6	31%	0.314	43%	0.431	S	S	.	.	H	α-helix	trans	-66	-40.4	178.2	-160.4	84.2	0	0	0	111.3	Y34 H35 L42 P109	Y34-L38 HydrophobicContact CD1-CD1 4.48Å; Y34-L38 HydrophobicContact CE1-CD1 4.08Å; Y34-L38 WeakPolarHBondContact O-CA 3.35Å; Y34-L38 WeakPolarHBondContact O-CB 3.4Å; Y34-L38 PolarHBondContact O-N 3.17Å; H35-L38 PolarHBondContact O-N 2.97Å; L38-L42 WeakPolarHBondContact O-CB 3.47Å; L38-L42 WeakPolarHBondContact O-CD1 3.22Å; L38-L42 WeakPolarHBondContact O-CG 3.26Å; L38-L42 PolarHBondContact O-N 3.33Å; L38-L42 VanDerWaalsContact O-N 3.13Å; L38-P109 HydrophobicContact CD2-CG 3.96Å
39	E	42.1	Very low	47.6	Very low	129 Å²	129	83.1 Å²	83.1	60%	0.603	44%	0.441	S	S	*	.	H	α-helix	trans	-68.3	-36.7	174	-88.7	-178.7	137	0	0	113.1	H35 A37	H35-E39 IonicContact CE1-OE2 3.01Å; H35-E39 IonicContact ND1-OE2 3.81Å; H35-E39 PolarHBondContact ND1-OE2 2.7Å; H35-E39 PolarHBondContact O-N 2.96Å; A37-E39 PolarHBondContact O-N 2.59Å
40	S	42.4	Very low	49.7	Very low	101 Å²	101	78.9 Å²	78.9	71%	0.706	42%	0.42	S	S	*	.	H	α-helix	trans	-86.3	-18.9	-179.4	62.8	0	0	0	0	114.6	N36 A37	N36-S40 VanDerWaalsContact O-CB 3.27Å; N36-S40 WeakPolarHBondContact O-CB 3.19Å; N36-S40 PolarHBondContact O-N 2.93Å; N36-S40 PolarHBondContact O-OG 3.21Å; A37-S40 WeakPolarHBondContact CA-OG 3.38Å; A37-S40 PolarHBondContact O-N 3.46Å; A37-S40 PolarHBondContact O-OG 2.9Å
41	S	46.3	Very low	51.2	Low	77 Å²	77	85.5 Å²	85.5	54%	0.538	46%	0.456	S	S	.	.	H	α-helix	trans	-115.2	0.4	-173.9	91.8	0	0	0	0	114.5	A37 P43	A37-S41 WeakPolarHBondContact O-CA 3.36Å; A37-S41 WeakPolarHBondContact O-CB 3.18Å; A37-S41 PolarHBondContact O-N 3.04Å; A37-S41 PolarHBondContact O-OG 3.5Å; S41-P43 WeakPolarHBondContact O-CD 3.26Å
42	L	50.4	Low	52.9	Low	89 Å²	89	85.6 Å²	85.6	47%	0.466	46%	0.457	S	S	.	.	S	Bend	trans	-58.1	108.5	169.5	-93	164.3	0	0	0	107.3	L38 K44	L38-L42 WeakPolarHBondContact O-CB 3.47Å; L38-L42 WeakPolarHBondContact O-CD1 3.22Å; L38-L42 WeakPolarHBondContact O-CG 3.26Å; L38-L42 PolarHBondContact O-N 3.33Å; L38-L42 VanDerWaalsContact O-N 3.13Å; L42-K44 PolarHBondContact O-N 2.83Å
43	P	52.6	Low	54.6	Low	69 Å²	69	85.9 Å²	85.9	45%	0.448	47%	0.473	S	S	.	.			trans	-69.3	130.1	-172.6	4.2	8.7	0	0	0	106.8	S41 L45 L59	S41-P43 WeakPolarHBondContact O-CD 3.26Å; P43-L45 PolarHBondContact O-N 3.45Å; P43-L59 HydrophobicContact CB-CD2 3.49Å; P43-L59 VanDerWaalsContact CB-CD2 3.49Å; P43-L59 HydrophobicContact CG-CD1 4.17Å; P43-L59 HydrophobicContact CG-CD2 3.44Å; P43-L59 VanDerWaalsContact CG-CD2 3.44Å; P43-L59 HydrophobicContact CG-CG 4.47Å
44	K	57.6	Low	56.4	Low	202 Å²	202	89.1 Å²	89.1	88%	0.878	48%	0.481	S	S	*	.			trans	-48.2	111.7	-179.1	-77.2	-177.4	178.2	178	0	109.1	L42 S46	L42-K44 PolarHBondContact O-N 2.83Å; K44-S46 PolarHBondContact O-N 3.11Å
45	L	64.7	Low	58	Low	70 Å²	70	92.9 Å²	92.9	37%	0.366	50%	0.495	S	S	.	.	P	Polyproline II helix	trans	-65.6	119.9	175.5	-71	168.5	0	0	0	107.7	P43 H57 L59 H102	P43-L45 PolarHBondContact O-N 3.45Å; L45-H57 HydrophobicContact CB-CB 4.24Å; L45-H57 HydrophobicContact CD1-CB 4.35Å; L45-L59 HydrophobicContact CD2-CD2 3.97Å; L45-L59 HydrophobicContact CD2-CG 4.28Å; L45-H102 HydrophobicContact CD1-CB 4.05Å; L45-H102 HydrophobicContact CD2-CB 3.88Å
46	S	66.2	Low	59.5	Low	35 Å²	35	90.2 Å²	90.2	25%	0.245	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	148.8	170.6	58.3	0	0	0	0	110	K44 V48 H57 W58 S60	K44-S46 PolarHBondContact O-N 3.11Å; S46-V48 PolarHBondContact O-N 3.16Å; S46-H57 WeakPolarHBondContact O-CA 3Å; S46-W58 PolarHBondContact N-O 2.5Å; S46-W58 PolarHBondContact O-N 2.97Å; S46-W58 VanDerWaalsContact O-O 3.08Å; S46-W58 PolarHBondContact OG-O 3.37Å; S46-S60 WeakPolarHBondContact OG-CB 3.27Å; S46-S60 PolarHBondContact OG-N 3.5Å
47	V	70.5	Confident	61	Low	70 Å²	70	89.1 Å²	89.1	42%	0.424	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	118.9	168.4	-177.7	0	0	0	0	107.9	R55 Y56	V47-R55 HydrophobicContact CG1-CB 4.15Å; V47-R55 HydrophobicContact CG1-CG 4.34Å; V47-Y56 CarbonylContact C-O 3.56Å; V47-Y56 WeakPolarHBondContact CA-O 3.37Å
48	V	69.9	Low	62.5	Low	14 Å²	14	87.6 Å²	87.6	9%	0.085	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	129.8	176.9	-174.3	0	0	0	0	109.1	S46 L50 Y56 W58 W63 P69	S46-V48 PolarHBondContact O-N 3.16Å; V48-L50 HydrophobicContact CG1-CD2 3.91Å; V48-L50 HydrophobicContact CG1-CG 4.24Å; V48-Y56 PolarHBondContact N-O 2.75Å; V48-Y56 PolarHBondContact O-N 3.06Å; V48-Y56 VanDerWaalsContact O-N 3.1Å; V48-W58 HydrophobicContact CG2-CB 4.04Å; V48-W63 HydrophobicContact CG1-CZ2 3.83Å; V48-P69 HydrophobicContact CG1-CB 4.46Å; V48-P69 HydrophobicContact CG1-CG 4.22Å
49	H	70.6	Confident	63.9	Low	128 Å²	128	86.4 Å²	86.4	59%	0.593	45%	0.452	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97	124	173.1	-64.8	-93.1	0	0	0	108.6
50	L	73.4	Confident	65	Low	14 Å²	14	82.1 Å²	82.1	7%	0.073	44%	0.437	C	S	.	.			trans	-114.1	163.5	175.6	-61	177.1	0	0	0	109.3	V48 D52 G53 Y56 W63 P69 L91 F100	V48-L50 HydrophobicContact CG1-CD2 3.91Å; V48-L50 HydrophobicContact CG1-CG 4.24Å; L50-D52 PolarHBondContact O-N 3.08Å; L50-G53 PolarHBondContact O-N 3.17Å; L50-Y56 HydrophobicContact CB-CE2 4.39Å; L50-Y56 HydrophobicContact CD1-CD2 3.82Å; L50-Y56 HydrophobicContact CD1-CE2 3.93Å; L50-Y56 HydrophobicContact CG-CD2 4.18Å; L50-Y56 HydrophobicContact CG-CE2 4.44Å; L50-W63 HydrophobicContact CD1-CH2 4.25Å; L50-W63 HydrophobicContact CD1-CZ2 4.48Å; L50-W63 HydrophobicContact CD2-CH2 3.68Å; L50-W63 HydrophobicContact CD2-CZ2 3.85Å; L50-P69 HydrophobicContact CD2-CB 4.26Å; L50-P69 HydrophobicContact CD2-CG 4.09Å; L50-L91 HydrophobicContact CD1-CD1 4.12Å; L50-L91 HydrophobicContact CD1-CD2 4.18Å; L50-F100 HydrophobicContact CD1-CD1 4.11Å; L50-F100 HydrophobicContact CD1-CE1 3.47Å; L50-F100 VanDerWaalsContact CD1-CE1 3.47Å; L50-F100 HydrophobicContact CD1-CZ 3.99Å
51	D	71.7	Confident	66.4	Low	182 Å²	182	84.6 Å²	84.6	97%	0.973	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-8.6	-174	-56.9	-26.6	0	0	0	115.2	G53	D51-G53 VanDerWaalsContact C-N 3.3Å
52	D	74.5	Confident	67.8	Low	68 Å²	68	83.3 Å²	83.3	36%	0.364	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	3.9	175.7	63	1	0	0	0	114.1	L50 R54 Y56 K95	L50-D52 PolarHBondContact O-N 3.08Å; D52-R54 PolarHBondContact O-N 3.47Å; D52-R54 PolarHBondContact OD1-N 3.02Å; D52-Y56 PolarHBondContact OD2-OH 3.47Å; D52-K95 VanDerWaalsContact CG-NZ 3.27Å; D52-K95 IonicContact OD1-NZ 3.42Å; D52-K95 WeakPolarHBondContact OD2-CE 3.41Å; D52-K95 IonicContact OD2-NZ 3.67Å; D52-K95 PolarHBondContact OD2-NZ 3.38Å
53	G	72	Confident	69.1	Low	73 Å²	73	79.3 Å²	79.3	75%	0.753	40%	0.4	S	S	*	.	S	Bend	trans	72.5	4.8	177.3	0	0	0	0	0	114.5	L50 D51	L50-G53 PolarHBondContact O-N 3.17Å; D51-G53 VanDerWaalsContact C-N 3.3Å
54	R	71.9	Confident	70.5	Confident	170 Å²	170	76.8 Å²	76.8	64%	0.642	38%	0.384	S	S	*	.			trans	-90.3	148.8	176.9	-64.8	-176.8	-175.8	-155.4	2	110.7	D52 Y56	D52-R54 PolarHBondContact O-N 3.47Å; D52-R54 PolarHBondContact OD1-N 3.02Å; R54-Y56 HydrophobicContact CB-CD2 4.38Å; R54-Y56 HydrophobicContact CB-CE2 3.65Å
55	R	70.1	Confident	71.3	Confident	184 Å²	184	70.3 Å²	70.3	69%	0.694	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.8	128.1	172.3	-66.8	-175.2	-67	171.7	-0	108.6	V47	V47-R55 HydrophobicContact CG1-CB 4.15Å; V47-R55 HydrophobicContact CG1-CG 4.34Å
56	Y	70.2	Confident	71.5	Confident	22 Å²	22	73.2 Å²	73.2	9%	0.086	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	136.7	176.5	-65	-79.8	0	0	0	109.8	V47 V48 L50 D52 R54 F100 D101	V47-Y56 CarbonylContact C-O 3.56Å; V47-Y56 WeakPolarHBondContact CA-O 3.37Å; V48-Y56 PolarHBondContact N-O 2.75Å; V48-Y56 PolarHBondContact O-N 3.06Å; V48-Y56 VanDerWaalsContact O-N 3.1Å; L50-Y56 HydrophobicContact CB-CE2 4.39Å; L50-Y56 HydrophobicContact CD1-CD2 3.82Å; L50-Y56 HydrophobicContact CD1-CE2 3.93Å; L50-Y56 HydrophobicContact CG-CD2 4.18Å; L50-Y56 HydrophobicContact CG-CE2 4.44Å; D52-Y56 PolarHBondContact OD2-OH 3.47Å; R54-Y56 HydrophobicContact CB-CD2 4.38Å; R54-Y56 HydrophobicContact CB-CE2 3.65Å; Y56-F100 AromaticContact CD1-CD1 3.52Å; Y56-F100 HydrophobicContact CD1-CD1 3.52Å; Y56-F100 HydrophobicContact CD1-CE1 4.11Å; Y56-F100 HydrophobicContact CD2-CD1 4.06Å; Y56-F100 AromaticContact CD2-CE1 3.98Å; Y56-F100 HydrophobicContact CD2-CE1 3.98Å; Y56-F100 AromaticContact CE1-CD1 3.93Å; Y56-F100 HydrophobicContact CE1-CD1 3.93Å; Y56-F100 HydrophobicContact CE2-CD1 4.43Å; Y56-F100 AromaticContact CG-CD1 3.57Å; Y56-F100 HydrophobicContact CG-CD1 3.57Å; Y56-F100 AromaticContact CG-CE1 3.65Å; Y56-F100 HydrophobicContact CG-CE1 3.65Å; Y56-D101 HydrophobicContact CD1-CB 4.16Å
57	H	68.1	Low	71.6	Confident	71 Å²	71	77.7 Å²	77.7	33%	0.329	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	111	168.9	-64.6	-102.4	0	0	0	108.4	L45 S46 H102 T103	L45-H57 HydrophobicContact CB-CB 4.24Å; L45-H57 HydrophobicContact CD1-CB 4.35Å; S46-H57 WeakPolarHBondContact O-CA 3Å; H57-H102 PolarHBondContact O-N 2.84Å; H57-T103 HydrophobicContact CB-CG2 3.55Å; H57-T103 WeakPolarHBondContact CD2-CG2 3.35Å
58	W	68.4	Low	71.5	Confident	12 Å²	12	80.8 Å²	80.8	5%	0.045	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	160.2	-169.6	-165	-101.9	0	0	0	112.5	S46 V48 S60 L62 W63 I99 F100 H102	S46-W58 PolarHBondContact N-O 2.5Å; S46-W58 PolarHBondContact O-N 2.97Å; S46-W58 VanDerWaalsContact O-O 3.08Å; S46-W58 PolarHBondContact OG-O 3.37Å; V48-W58 HydrophobicContact CG2-CB 4.04Å; W58-S60 PolarHBondContact O-N 3.1Å; W58-L62 HydrophobicContact CZ2-CD1 3.66Å; W58-W63 AromaticContact CD1-NE1 3.93Å; W58-I99 WeakPolarHBondContact CZ3-O 3.22Å; W58-F100 HydrophobicContact CB-CZ 4.24Å; W58-F100 AromaticContact CD1-CZ 3.95Å; W58-F100 HydrophobicContact CD2-CD2 4.04Å; W58-F100 HydrophobicContact CD2-CE1 4.39Å; W58-F100 AromaticContact CD2-CE2 3.56Å; W58-F100 HydrophobicContact CD2-CE2 3.56Å; W58-F100 AromaticContact CD2-CZ 3.71Å; W58-F100 HydrophobicContact CD2-CZ 3.71Å; W58-F100 AromaticContact CE2-CD2 3.99Å; W58-F100 AromaticContact CE2-CE2 3.42Å; W58-F100 VanDerWaalsContact CE2-CE2 3.42Å; W58-F100 AromaticContact CE2-CZ 3.97Å; W58-F100 AromaticContact CE3-CD2 3.98Å; W58-F100 HydrophobicContact CE3-CD2 3.98Å; W58-F100 AromaticContact CE3-CE2 3.98Å; W58-F100 HydrophobicContact CE3-CE2 3.98Å; W58-F100 HydrophobicContact CE3-CG 4.26Å; W58-F100 HydrophobicContact CE3-CZ 4.24Å; W58-F100 HydrophobicContact CG-CE1 4.39Å; W58-F100 HydrophobicContact CG-CE2 4.02Å; W58-F100 AromaticContact CG-CZ 3.71Å; W58-F100 HydrophobicContact CG-CZ 3.71Å; W58-F100 AromaticContact CH2-CD2 3.83Å; W58-F100 HydrophobicContact CH2-CD2 3.83Å; W58-F100 HydrophobicContact CH2-CE2 4.13Å; W58-F100 AromaticContact CZ2-CD2 3.89Å; W58-F100 HydrophobicContact CZ2-CD2 3.89Å; W58-F100 AromaticContact CZ2-CE2 3.72Å; W58-F100 HydrophobicContact CZ2-CE2 3.72Å; W58-F100 VanDerWaalsContact CZ3-C 3.42Å; W58-F100 HydrophobicContact CZ3-CB 4.42Å; W58-F100 AromaticContact CZ3-CD2 3.89Å; W58-F100 HydrophobicContact CZ3-CD2 3.89Å; W58-F100 HydrophobicContact CZ3-CE2 4.25Å; W58-F100 HydrophobicContact CZ3-CG 4.27Å; W58-F100 VanDerWaalsContact CZ3-O 3.25Å; W58-F100 WeakPolarHBondContact CZ3-O 3.46Å; W58-F100 AromaticContact NE1-CE2 3.79Å; W58-H102 AromaticContact CD2-CD2 3.87Å; W58-H102 AromaticContact CD2-NE2 3.79Å; W58-H102 AromaticContact CE3-CD2 3.15Å; W58-H102 AromaticContact CE3-CE1 3.98Å; W58-H102 AromaticContact CE3-NE2 3.16Å; W58-H102 AromaticContact CH2-CE1 3.93Å; W58-H102 AromaticContact CH2-NE2 3.55Å; W58-H102 AromaticContact CZ3-CD2 3.45Å; W58-H102 VanDerWaalsContact CZ3-CD2 3.45Å; W58-H102 WeakPolarHBondContact CZ3-CD2 3.27Å; W58-H102 AromaticContact CZ3-CE1 3.44Å; W58-H102 VanDerWaalsContact CZ3-CE1 3.44Å; W58-H102 WeakPolarHBondContact CZ3-CE1 3.32Å; W58-H102 AromaticContact CZ3-NE2 3.01Å; W58-H102 WeakPolarHBondContact CZ3-NE2 3.43Å
59	L	67.5	Low	71.5	Confident	34 Å²	34	81.9 Å²	81.9	18%	0.178	41%	0.414	C	S	.	.			trans	-74.8	106.6	173.1	-61.1	179.3	0	0	0	109.7	P43 L45 K61 L62	P43-L59 HydrophobicContact CB-CD2 3.49Å; P43-L59 VanDerWaalsContact CB-CD2 3.49Å; P43-L59 HydrophobicContact CG-CD1 4.17Å; P43-L59 HydrophobicContact CG-CD2 3.44Å; P43-L59 VanDerWaalsContact CG-CD2 3.44Å; P43-L59 HydrophobicContact CG-CG 4.47Å; L45-L59 HydrophobicContact CD2-CD2 3.97Å; L45-L59 HydrophobicContact CD2-CG 4.28Å; L59-K61 PolarHBondContact O-N 2.88Å; L59-K61 VanDerWaalsContact O-N 3.15Å; L59-L62 HydrophobicContact CB-CD1 4Å; L59-L62 HydrophobicContact CB-CG 4.1Å; L59-L62 HydrophobicContact CD1-CD1 4.19Å; L59-L62 PolarHBondContact O-N 2.89Å
60	S	66.2	Low	71.5	Confident	40 Å²	40	79.7 Å²	79.7	28%	0.28	41%	0.413	S	S	.	.	G	3₁₀ helix	trans	-53.2	-36.2	178.4	53.7	0	0	0	0	112.3	S46 W58 L62 W63	S46-S60 WeakPolarHBondContact OG-CB 3.27Å; S46-S60 PolarHBondContact OG-N 3.5Å; W58-S60 PolarHBondContact O-N 3.1Å; S60-L62 PolarHBondContact O-N 3.28Å; S60-W63 PolarHBondContact O-N 3.4Å; S60-W63 VanDerWaalsContact O-N 3.12Å
61	K	71.3	Confident	71.7	Confident	153 Å²	153	83.6 Å²	83.6	67%	0.665	43%	0.426	S	S	*	.	G	3₁₀ helix	trans	-60.2	-7.8	177.5	-68.3	-169.9	177.1	-173.6	0	114.8	L59 Y75	L59-K61 PolarHBondContact O-N 2.88Å; L59-K61 VanDerWaalsContact O-N 3.15Å; K61-Y75 WeakPolarHBondContact O-CD2 3.26Å; K61-Y75 WeakPolarHBondContact O-CE2 3.45Å
62	L	75.4	Confident	72.4	Confident	50 Å²	50	75.4 Å²	75.4	26%	0.262	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-91.3	0.4	176.7	-70.2	175.8	0	0	0	113.3	W58 L59 S60 L72 C73	W58-L62 HydrophobicContact CZ2-CD1 3.66Å; L59-L62 HydrophobicContact CB-CD1 4Å; L59-L62 HydrophobicContact CB-CG 4.1Å; L59-L62 HydrophobicContact CD1-CD1 4.19Å; L59-L62 PolarHBondContact O-N 2.89Å; S60-L62 PolarHBondContact O-N 3.28Å; L62-L72 HydrophobicContact CB-CD2 4.34Å; L62-L72 CarbonylContact O-C 3.53Å; L62-L72 VanDerWaalsContact O-CA 3.28Å; L62-L72 WeakPolarHBondContact O-CA 3.32Å; L62-C73 CarbonylContact C-O 3.54Å; L62-C73 PolarHBondContact O-N 3.44Å; L62-C73 VanDerWaalsContact O-O 3.11Å
63	W	78.5	Confident	72.8	Confident	5 Å²	5	72.2 Å²	72.2	2%	0.019	37%	0.365	C	S	.	.	B	Isolated β-bridge	trans	-89.9	143.3	177.1	-61.7	112.6	0	0	0	111.7	V48 L50 W58 S60 N65 P69 L72 Y75 L91 F100	V48-W63 HydrophobicContact CG1-CZ2 3.83Å; L50-W63 HydrophobicContact CD1-CH2 4.25Å; L50-W63 HydrophobicContact CD1-CZ2 4.48Å; L50-W63 HydrophobicContact CD2-CH2 3.68Å; L50-W63 HydrophobicContact CD2-CZ2 3.85Å; W58-W63 AromaticContact CD1-NE1 3.93Å; S60-W63 PolarHBondContact O-N 3.4Å; S60-W63 VanDerWaalsContact O-N 3.12Å; W63-N65 PolarHBondContact O-N 3.41Å; W63-P69 HydrophobicContact CD2-CB 3.42Å; W63-P69 VanDerWaalsContact CD2-CB 3.42Å; W63-P69 HydrophobicContact CE3-CB 3.54Å; W63-P69 HydrophobicContact CG-CB 3.89Å; W63-P69 HydrophobicContact CH2-CB 4.02Å; W63-P69 HydrophobicContact CZ2-CB 3.89Å; W63-P69 HydrophobicContact CZ3-CB 3.86Å; W63-L72 HydrophobicContact CD2-CD2 4.11Å; W63-L72 HydrophobicContact CE3-CD2 3.7Å; W63-L72 HydrophobicContact CE3-CG 4.29Å; W63-L72 HydrophobicContact CH2-CD2 3.99Å; W63-L72 HydrophobicContact CZ2-CD2 4.38Å; W63-L72 HydrophobicContact CZ3-CD2 3.62Å; W63-L72 HydrophobicContact CZ3-CG 4Å; W63-Y75 WeakPolarHBondContact O-CE2 3.5Å; W63-Y75 PolarHBondContact O-OH 3.44Å; W63-L91 HydrophobicContact CH2-CD1 3.81Å; W63-L91 HydrophobicContact CH2-CD2 3.94Å; W63-L91 HydrophobicContact CZ3-CD1 4.41Å; W63-L91 HydrophobicContact CZ3-CD2 4.16Å; W63-F100 HydrophobicContact CH2-CE2 4.15Å; W63-F100 AromaticContact CH2-CZ 3.76Å; W63-F100 HydrophobicContact CH2-CZ 3.76Å; W63-F100 HydrophobicContact CZ2-CE1 4.4Å; W63-F100 HydrophobicContact CZ2-CE2 4.14Å; W63-F100 AromaticContact CZ2-CZ 3.46Å; W63-F100 HydrophobicContact CZ2-CZ 3.46Å; W63-F100 VanDerWaalsContact CZ2-CZ 3.46Å
64	C	80.9	Confident	73.1	Confident	15 Å²	15	74.3 Å²	74.3	10%	0.101	35%	0.351	C	S	.	.	S	Bend	trans	-67.1	-27.5	171.6	-71.8	0	0	0	0	113	R71 L72 C73 R82	C64-R71 HydrophobicContact CB-CB 4.14Å; C64-R71 VanDerWaalsContact CB-O 3.26Å; C64-R71 WeakPolarHBondContact CB-O 3.42Å; C64-R71 PolarHBondContact N-O 3.04Å; C64-R71 PolarHBondContact SG-O 3.26Å; C64-L72 PolarHBondContact SG-O 3.14Å; C64-C73 WeakPolarHBondContact CA-SG 3.42Å; C64-C73 HydrophobicContact CB-CB 4.02Å; C64-C73 WeakPolarHBondContact CB-SG 3.47Å; C64-C73 WeakPolarHBondContact SG-CB 3.22Å; C64-C73 CovalentContact SG-SG 2.03Å; C64-C73 PolarHBondContact SG-SG 2.92Å; C64-R82 VanDerWaalsContact CA-NH2 3.3Å; C64-R82 VanDerWaalsContact O-CZ 3.3Å; C64-R82 PolarHBondContact O-NH1 2.89Å; C64-R82 PolarHBondContact O-NH2 2.83Å
65	N	76	Confident	73.2	Confident	67 Å²	67	69.6 Å²	69.6	36%	0.358	33%	0.334	S	S	.	.			trans	-144.6	122.2	173.7	-178.7	2.2	0	0	0	107.6	W63 T67 Q68	W63-N65 PolarHBondContact O-N 3.41Å; N65-T67 VanDerWaalsContact C-N 3.33Å; N65-T67 PolarHBondContact ND2-OG1 3.38Å; N65-T67 PolarHBondContact OD1-N 3.15Å; N65-T67 PolarHBondContact OD1-OG1 3.27Å; N65-Q68 CarbonylContact O-C 3.5Å
66	E	69	Low	73.2	Confident	131 Å²	131	64.3 Å²	64.3	61%	0.612	32%	0.317	S	S	*	.	S	Bend	trans	-71.7	-28.4	-179	-62.2	-172.4	168	0	0	112.4
67	T	67.8	Low	73.1	Confident	129 Å²	129	68.4 Å²	68.4	79%	0.791	35%	0.347	S	S	*	.	S	Bend	trans	-82.8	-23.2	-178.4	61.9	0	0	0	0	113	N65	N65-T67 VanDerWaalsContact C-N 3.33Å; N65-T67 PolarHBondContact ND2-OG1 3.38Å; N65-T67 PolarHBondContact OD1-N 3.15Å; N65-T67 PolarHBondContact OD1-OG1 3.27Å
68	Q	68.9	Low	73.2	Confident	135 Å²	135	73 Å²	73	63%	0.631	37%	0.368	S	S	*	.	S	Bend	trans	-142.2	85.5	179.2	-162.9	176.8	45.7	0	0	110.1	N65 S70	N65-Q68 CarbonylContact O-C 3.5Å; Q68-S70 VanDerWaalsContact C-N 3.31Å; Q68-S70 PolarHBondContact O-N 3.4Å
69	P	68.5	Low	73.1	Confident	37 Å²	37	76.9 Å²	76.9	24%	0.24	39%	0.39	C	S	.	.			trans	-72.9	79.1	-173.2	28.7	-34.4	0	0	0	111.9	V48 L50 W63	V48-P69 HydrophobicContact CG1-CB 4.46Å; V48-P69 HydrophobicContact CG1-CG 4.22Å; L50-P69 HydrophobicContact CD2-CB 4.26Å; L50-P69 HydrophobicContact CD2-CG 4.09Å; W63-P69 HydrophobicContact CD2-CB 3.42Å; W63-P69 VanDerWaalsContact CD2-CB 3.42Å; W63-P69 HydrophobicContact CE3-CB 3.54Å; W63-P69 HydrophobicContact CG-CB 3.89Å; W63-P69 HydrophobicContact CH2-CB 4.02Å; W63-P69 HydrophobicContact CZ2-CB 3.89Å; W63-P69 HydrophobicContact CZ3-CB 3.86Å
70	S	70.3	Confident	73.1	Confident	81 Å²	81	83.2 Å²	83.2	57%	0.566	42%	0.424	S	S	*	.			trans	-97.7	-30.5	178.9	58.8	0	0	0	0	113.3	Q68	Q68-S70 VanDerWaalsContact C-N 3.31Å; Q68-S70 PolarHBondContact O-N 3.4Å
71	R	79.2	Confident	73.5	Confident	97 Å²	97	86.2 Å²	86.2	37%	0.366	44%	0.436	S	S	.	.	S	Bend	trans	-138.4	141.3	-176.2	-67.5	-179.3	116.8	136.4	7.8	111.1	C64 E88	C64-R71 HydrophobicContact CB-CB 4.14Å; C64-R71 VanDerWaalsContact CB-O 3.26Å; C64-R71 WeakPolarHBondContact CB-O 3.42Å; C64-R71 PolarHBondContact N-O 3.04Å; C64-R71 PolarHBondContact SG-O 3.26Å; R71-E88 IonicContact CZ-OE1 3.52Å; R71-E88 IonicContact NH1-OE1 2.57Å; R71-E88 IonicContact NH2-OE1 3.46Å; R71-E88 PolarHBondContact NH2-OE1 2.78Å
72	L	85.4	Confident	73.6	Confident	10 Å²	10	84.9 Å²	84.9	5%	0.052	43%	0.427	C	S	.	.	B	Isolated β-bridge	trans	-80.3	140.9	172	-65.4	165.7	0	0	0	109.5	L62 W63 C64 F86 T90 L91 L94 F100	L62-L72 HydrophobicContact CB-CD2 4.34Å; L62-L72 CarbonylContact O-C 3.53Å; L62-L72 VanDerWaalsContact O-CA 3.28Å; L62-L72 WeakPolarHBondContact O-CA 3.32Å; W63-L72 HydrophobicContact CD2-CD2 4.11Å; W63-L72 HydrophobicContact CE3-CD2 3.7Å; W63-L72 HydrophobicContact CE3-CG 4.29Å; W63-L72 HydrophobicContact CH2-CD2 3.99Å; W63-L72 HydrophobicContact CZ2-CD2 4.38Å; W63-L72 HydrophobicContact CZ3-CD2 3.62Å; W63-L72 HydrophobicContact CZ3-CG 4Å; C64-L72 PolarHBondContact SG-O 3.14Å; L72-F86 HydrophobicContact CB-CB 4.18Å; L72-F86 HydrophobicContact CB-CD2 3.6Å; L72-F86 HydrophobicContact CB-CE2 4.42Å; L72-F86 HydrophobicContact CB-CG 4.25Å; L72-F86 WeakPolarHBondContact O-CD2 3.48Å; L72-F86 PolarHBondContact O-N 2.97Å; L72-T90 HydrophobicContact CD1-CG2 4.16Å; L72-L91 HydrophobicContact CD1-CB 4.44Å; L72-L91 HydrophobicContact CD1-CD1 4.36Å; L72-L94 HydrophobicContact CD1-CD1 3.46Å; L72-L94 VanDerWaalsContact CD1-CD1 3.46Å; L72-F100 HydrophobicContact CD2-CE2 4.31Å
73	C	83.3	Confident	73.5	Confident	0 Å²	0	83.7 Å²	83.7	0%	0	43%	0.426	C	S	.	.			trans	-128.6	144.2	175.3	-87.7	0	0	0	0	109.7	L62 C64 Y75 R82	L62-C73 CarbonylContact C-O 3.54Å; L62-C73 PolarHBondContact O-N 3.44Å; L62-C73 VanDerWaalsContact O-O 3.11Å; C64-C73 WeakPolarHBondContact CA-SG 3.42Å; C64-C73 HydrophobicContact CB-CB 4.02Å; C64-C73 WeakPolarHBondContact CB-SG 3.47Å; C64-C73 WeakPolarHBondContact SG-CB 3.22Å; C64-C73 CovalentContact SG-SG 2.03Å; C64-C73 PolarHBondContact SG-SG 2.92Å; C73-Y75 HydrophobicContact CB-CD2 4.47Å; C73-Y75 HydrophobicContact CB-CE2 3.76Å; C73-R82 VanDerWaalsContact SG-CZ 3.59Å; C73-R82 PolarHBondContact SG-NE 2.82Å; C73-R82 PolarHBondContact SG-NH2 3.41Å
74	Y	78	Confident	73.7	Confident	117 Å²	117	94.7 Å²	94.7	46%	0.459	47%	0.467	S	S	.	.			trans	-93.5	136.1	169.9	174.4	-99.3	0	0	0	109.3	G83	Y74-G83 PolarHBondContact O-N 2.86Å
75	Y	74.4	Confident	73.9	Confident	71 Å²	71	97 Å²	97	28%	0.278	48%	0.482	S	S	.	.	B	Isolated β-bridge	trans	-115.7	131.5	175.6	-65.6	-98.4	0	0	0	108.1	K61 W63 C73 R82	K61-Y75 WeakPolarHBondContact O-CD2 3.26Å; K61-Y75 WeakPolarHBondContact O-CE2 3.45Å; W63-Y75 WeakPolarHBondContact O-CE2 3.5Å; W63-Y75 PolarHBondContact O-OH 3.44Å; C73-Y75 HydrophobicContact CB-CD2 4.47Å; C73-Y75 HydrophobicContact CB-CE2 3.76Å; Y75-R82 HydrophobicContact CE1-CG 4.44Å
76	H	69.6	Low	74.4	Confident	73 Å²	73	98.2 Å²	98.2	34%	0.338	48%	0.484	S	S	.	.			trans	-65.7	137.8	173.6	-166.3	-102.3	0	0	0	109.3	E78 D79 I81	H76-E78 VanDerWaalsContact C-N 3.29Å; H76-E78 PolarHBondContact ND1-N 3.39Å; H76-E78 PolarHBondContact O-N 2.89Å; H76-D79 IonicContact ND1-OD2 3.32Å; H76-I81 HydrophobicContact CB-CB 4.14Å; H76-I81 PolarHBondContact N-O 2.81Å; H76-I81 VanDerWaalsContact N-O 3.12Å
77	P	69.3	Low	75.3	Confident	109 Å²	109	98 Å²	98	71%	0.708	48%	0.484	S	S	*	.	S	Bend	trans	-64.7	-32.2	-176.6	-22.5	33.3	0	0	0	113.9
78	E	69.5	Low	76.1	Confident	168 Å²	168	98.1 Å²	98.1	79%	0.785	48%	0.475	S	S	*	.	S	Bend	trans	-101.7	-7.8	-169.3	-63.7	178	174.7	0	0	113.5	H76	H76-E78 VanDerWaalsContact C-N 3.29Å; H76-E78 PolarHBondContact ND1-N 3.39Å; H76-E78 PolarHBondContact O-N 2.89Å
79	D	65.3	Low	76.9	Confident	93 Å²	93	94.8 Å²	94.8	50%	0.497	46%	0.461	S	S	.	.	S	Bend	trans	-142.2	157.9	-176.8	-69.1	-56	0	0	0	112.1	H76 I81	H76-D79 IonicContact ND1-OD2 3.32Å; D79-I81 HydrophobicContact CB-CB 4.05Å; D79-I81 HydrophobicContact CB-CD1 3.63Å; D79-I81 HydrophobicContact CB-CG1 3.61Å; D79-I81 PolarHBondContact O-N 3.19Å; D79-I81 WeakPolarHBondContact OD2-CD1 3.4Å
80	N	69.3	Low	77.7	Confident	167 Å²	167	94.4 Å²	94.4	89%	0.893	46%	0.459	S	S	*	.	S	Bend	trans	-72.1	24.7	167.9	-134	8.3	0	0	0	112.6	R82	N80-R82 PolarHBondContact O-N 3.03Å
81	I	72.7	Confident	78.2	Confident	102 Å²	102	92 Å²	92	52%	0.523	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-77.9	116.6	177.5	-66.1	167.1	0	0	0	108.3	H76 D79	H76-I81 HydrophobicContact CB-CB 4.14Å; H76-I81 PolarHBondContact N-O 2.81Å; H76-I81 VanDerWaalsContact N-O 3.12Å; D79-I81 HydrophobicContact CB-CB 4.05Å; D79-I81 HydrophobicContact CB-CD1 3.63Å; D79-I81 HydrophobicContact CB-CG1 3.61Å; D79-I81 PolarHBondContact O-N 3.19Å; D79-I81 WeakPolarHBondContact OD2-CD1 3.4Å
82	R	73.4	Confident	78.4	Confident	126 Å²	126	95.1 Å²	95.1	48%	0.475	45%	0.451	S	S	.	.	B	Isolated β-bridge	trans	-92.9	122.1	175.4	-176.4	171.7	168.2	168.3	-3.8	110	C64 C73 Y75 N80	C64-R82 VanDerWaalsContact CA-NH2 3.3Å; C64-R82 VanDerWaalsContact O-CZ 3.3Å; C64-R82 PolarHBondContact O-NH1 2.89Å; C64-R82 PolarHBondContact O-NH2 2.83Å; C73-R82 VanDerWaalsContact SG-CZ 3.59Å; C73-R82 PolarHBondContact SG-NE 2.82Å; C73-R82 PolarHBondContact SG-NH2 3.41Å; Y75-R82 HydrophobicContact CE1-CG 4.44Å; N80-R82 PolarHBondContact O-N 3.03Å
83	G	74.6	Confident	78.2	Confident	24 Å²	24	99 Å²	99	25%	0.247	47%	0.471	C	S	.	.	P	Polyproline II helix	trans	-67.7	167.4	170.6	0	0	0	0	0	112	Y74	Y74-G83 PolarHBondContact O-N 2.86Å
84	R	82	Confident	78.1	Confident	236 Å²	236	100.5 Å²	100.5	89%	0.891	48%	0.479	S	S	*	.	P	Polyproline II helix	trans	-59.7	141.1	171.6	-68	-173.3	-177.4	-164.9	1	109.8
85	P	85.3	Confident	78.1	Confident	64 Å²	64	97.6 Å²	97.6	42%	0.416	47%	0.469	S	S	.	.	P	Polyproline II helix	trans	-54.5	142.9	172.7	-24.4	33.4	0	0	0	111.2
86	F	87.3	Confident	78.4	Confident	92 Å²	92	102.9 Å²	102.9	40%	0.404	49%	0.493	S	S	.	.	P	Polyproline II helix	trans	-63.3	155.3	170.2	-72.6	-81.8	0	0	0	110.6	L72 T90	L72-F86 HydrophobicContact CB-CB 4.18Å; L72-F86 HydrophobicContact CB-CD2 3.6Å; L72-F86 HydrophobicContact CB-CE2 4.42Å; L72-F86 HydrophobicContact CB-CG 4.25Å; L72-F86 WeakPolarHBondContact O-CD2 3.48Å; L72-F86 PolarHBondContact O-N 2.97Å; F86-T90 HydrophobicContact CB-CG2 4.07Å; F86-T90 HydrophobicContact CD1-CG2 4.24Å; F86-T90 HydrophobicContact CG-CG2 4.24Å
87	H	87.5	Confident	78.9	Confident	128 Å²	128	104.6 Å²	104.6	59%	0.593	50%	0.504	S	S	*	.	P	Polyproline II helix	trans	-56.6	148	174.4	-164	-76.7	0	0	0	111.2	N89 T90	H87-N89 PolarHBondContact ND1-N 3.25Å; H87-N89 PolarHBondContact O-N 3.16Å; H87-N89 VanDerWaalsContact O-N 3.17Å; H87-T90 VanDerWaalsContact O-CB 3.23Å; H87-T90 WeakPolarHBondContact O-CB 3.29Å; H87-T90 PolarHBondContact O-N 2.9Å; H87-T90 PolarHBondContact O-OG1 2.91Å
88	E	84.5	Confident	79	Confident	130 Å²	130	102.5 Å²	102.5	61%	0.607	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-36.4	-172.9	-64	175.6	179.2	0	0	112.6	R71 T90	R71-E88 IonicContact CZ-OE1 3.52Å; R71-E88 IonicContact NH1-OE1 2.57Å; R71-E88 IonicContact NH2-OE1 3.46Å; R71-E88 PolarHBondContact NH2-OE1 2.78Å; E88-T90 PolarHBondContact O-N 2.79Å
89	N	84.9	Confident	79.2	Confident	65 Å²	65	97 Å²	97	35%	0.348	46%	0.463	S	S	.	.	H	α-helix	trans	-69.1	-12	176.5	-70.4	-39.7	0	0	0	115.3	H87 L91 R92 L93	H87-N89 PolarHBondContact ND1-N 3.25Å; H87-N89 PolarHBondContact O-N 3.16Å; H87-N89 VanDerWaalsContact O-N 3.17Å; N89-L91 PolarHBondContact O-N 3.27Å; N89-R92 WeakPolarHBondContact O-CB 3.47Å; N89-R92 PolarHBondContact O-N 2.93Å; N89-R92 PolarHBondContact OD1-NH2 3.26Å; N89-L93 WeakPolarHBondContact O-CG 3.29Å; N89-L93 PolarHBondContact O-N 3.06Å
90	T	86.1	Confident	79.5	Confident	30 Å²	30	92.6 Å²	92.6	18%	0.184	44%	0.439	C	S	.	.	H	α-helix	trans	-62	-44.6	-174.7	-62.1	0	0	0	0	111.7	L72 F86 H87 E88 R92 L93 L94	L72-T90 HydrophobicContact CD1-CG2 4.16Å; F86-T90 HydrophobicContact CB-CG2 4.07Å; F86-T90 HydrophobicContact CD1-CG2 4.24Å; F86-T90 HydrophobicContact CG-CG2 4.24Å; H87-T90 VanDerWaalsContact O-CB 3.23Å; H87-T90 WeakPolarHBondContact O-CB 3.29Å; H87-T90 PolarHBondContact O-N 2.9Å; H87-T90 PolarHBondContact O-OG1 2.91Å; E88-T90 PolarHBondContact O-N 2.79Å; T90-R92 VanDerWaalsContact C-N 3.31Å; T90-R92 PolarHBondContact O-N 2.98Å; T90-L93 WeakPolarHBondContact O-CB 3.44Å; T90-L93 PolarHBondContact O-N 3.33Å; T90-L93 VanDerWaalsContact O-N 3.11Å; T90-L94 HydrophobicContact CG2-CD1 4.01Å; T90-L94 HydrophobicContact CG2-CG 4.21Å; T90-L94 WeakPolarHBondContact O-CG 3.44Å; T90-L94 PolarHBondContact O-N 3.29Å
91	L	81.4	Confident	79.5	Confident	30 Å²	30	86.4 Å²	86.4	16%	0.157	41%	0.406	C	S	.	.	H	α-helix	trans	-60.4	-43.3	178.8	-178	61	0	0	0	111.4	L50 W63 L72 N89 L93 L94 K95 F100	L50-L91 HydrophobicContact CD1-CD1 4.12Å; L50-L91 HydrophobicContact CD1-CD2 4.18Å; W63-L91 HydrophobicContact CH2-CD1 3.81Å; W63-L91 HydrophobicContact CH2-CD2 3.94Å; W63-L91 HydrophobicContact CZ3-CD1 4.41Å; W63-L91 HydrophobicContact CZ3-CD2 4.16Å; L72-L91 HydrophobicContact CD1-CB 4.44Å; L72-L91 HydrophobicContact CD1-CD1 4.36Å; N89-L91 PolarHBondContact O-N 3.27Å; L91-L93 VanDerWaalsContact C-N 3.32Å; L91-L93 PolarHBondContact O-N 3.42Å; L91-L94 PolarHBondContact O-N 2.93Å; L91-K95 WeakPolarHBondContact O-CG 3.44Å; L91-K95 PolarHBondContact O-N 3.5Å; L91-F100 HydrophobicContact CD1-CD1 4.4Å; L91-F100 HydrophobicContact CD1-CD2 3.59Å; L91-F100 HydrophobicContact CD1-CE1 4.27Å; L91-F100 HydrophobicContact CD1-CE2 3.4Å; L91-F100 VanDerWaalsContact CD1-CE2 3.4Å; L91-F100 HydrophobicContact CD1-CG 4.12Å; L91-F100 HydrophobicContact CD1-CZ 3.82Å
92	R	82.2	Confident	79.1	Confident	163 Å²	163	82.3 Å²	82.3	62%	0.615	39%	0.385	S	S	*	.	H	α-helix	trans	-59.8	-42.1	175.3	-173.3	-179.9	70.3	179.3	0.7	111.8	N89 T90 K96	N89-R92 WeakPolarHBondContact O-CB 3.47Å; N89-R92 PolarHBondContact O-N 2.93Å; N89-R92 PolarHBondContact OD1-NH2 3.26Å; T90-R92 VanDerWaalsContact C-N 3.31Å; T90-R92 PolarHBondContact O-N 2.98Å; R92-K96 WeakPolarHBondContact O-CB 3.23Å; R92-K96 PolarHBondContact O-N 2.77Å
93	L	81.2	Confident	78.5	Confident	90 Å²	90	79.4 Å²	79.4	47%	0.471	38%	0.381	S	S	.	.	H	α-helix	trans	-66.1	-45.6	176.9	-70.5	169.4	0	0	0	111.7	N89 T90 L91 K95 K96 L97	N89-L93 WeakPolarHBondContact O-CG 3.29Å; N89-L93 PolarHBondContact O-N 3.06Å; T90-L93 WeakPolarHBondContact O-CB 3.44Å; T90-L93 PolarHBondContact O-N 3.33Å; T90-L93 VanDerWaalsContact O-N 3.11Å; L91-L93 VanDerWaalsContact C-N 3.32Å; L91-L93 PolarHBondContact O-N 3.42Å; L93-K95 VanDerWaalsContact C-N 3.32Å; L93-K95 PolarHBondContact O-N 3.01Å; L93-K96 PolarHBondContact O-N 3.34Å; L93-L97 WeakPolarHBondContact O-CB 3.37Å; L93-L97 VanDerWaalsContact O-CG 3.25Å; L93-L97 WeakPolarHBondContact O-CG 3.22Å; L93-L97 PolarHBondContact O-N 2.99Å
94	L	81.6	Confident	77.8	Confident	33 Å²	33	84 Å²	84	17%	0.173	40%	0.396	C	S	.	.	H	α-helix	trans	-62	-39.8	178.2	-66.7	175.9	0	0	0	111.9	L72 T90 L91 L97 N98 I99 F100	L72-L94 HydrophobicContact CD1-CD1 3.46Å; L72-L94 VanDerWaalsContact CD1-CD1 3.46Å; T90-L94 HydrophobicContact CG2-CD1 4.01Å; T90-L94 HydrophobicContact CG2-CG 4.21Å; T90-L94 WeakPolarHBondContact O-CG 3.44Å; T90-L94 PolarHBondContact O-N 3.29Å; L91-L94 PolarHBondContact O-N 2.93Å; L94-L97 PolarHBondContact O-N 2.93Å; L94-N98 PolarHBondContact O-N 2.84Å; L94-I99 HydrophobicContact CD2-CB 3.94Å; L94-I99 HydrophobicContact CD2-CD1 4.29Å; L94-I99 HydrophobicContact CD2-CG2 3.77Å; L94-I99 PolarHBondContact O-N 2.77Å; L94-F100 HydrophobicContact CB-CB 4.15Å; L94-F100 HydrophobicContact CB-CD2 4.23Å; L94-F100 HydrophobicContact CD1-CD2 4.34Å; L94-F100 PolarHBondContact O-N 3.45Å
95	K	78.6	Confident	76.7	Confident	55 Å²	55	76.7 Å²	76.7	24%	0.239	37%	0.368	C	S	.	.	H	α-helix	trans	-62	-48.9	172.1	-72.9	-177.7	179	-166.4	0	111.5	D52 L91 L93 L97 N98 F100	D52-K95 VanDerWaalsContact CG-NZ 3.27Å; D52-K95 IonicContact OD1-NZ 3.42Å; D52-K95 WeakPolarHBondContact OD2-CE 3.41Å; D52-K95 IonicContact OD2-NZ 3.67Å; D52-K95 PolarHBondContact OD2-NZ 3.38Å; L91-K95 WeakPolarHBondContact O-CG 3.44Å; L91-K95 PolarHBondContact O-N 3.5Å; L93-K95 VanDerWaalsContact C-N 3.32Å; L93-K95 PolarHBondContact O-N 3.01Å; K95-L97 VanDerWaalsContact C-N 3.29Å; K95-L97 PolarHBondContact O-N 3.33Å; K95-N98 PolarHBondContact O-N 3.28Å; K95-F100 HydrophobicContact CG-CB 4.17Å; K95-F100 HydrophobicContact CG-CD1 4.47Å; K95-F100 HydrophobicContact CG-CG 4.35Å
96	K	81	Confident	75.5	Confident	182 Å²	182	80 Å²	80	79%	0.791	37%	0.374	S	S	*	.	H	α-helix	trans	-61	-36.6	179.2	-175	177.4	-179.6	179.6	0	112.8	R92 L93 N98	R92-K96 WeakPolarHBondContact O-CB 3.23Å; R92-K96 PolarHBondContact O-N 2.77Å; L93-K96 PolarHBondContact O-N 3.34Å; K96-N98 PolarHBondContact O-N 2.88Å
97	L	79	Confident	74.3	Confident	110 Å²	110	77.7 Å²	77.7	58%	0.576	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	0.1	177.7	-64.7	172.3	0	0	0	112.8	L93 L94 K95 I99	L93-L97 WeakPolarHBondContact O-CB 3.37Å; L93-L97 VanDerWaalsContact O-CG 3.25Å; L93-L97 WeakPolarHBondContact O-CG 3.22Å; L93-L97 PolarHBondContact O-N 2.99Å; L94-L97 PolarHBondContact O-N 2.93Å; K95-L97 VanDerWaalsContact C-N 3.29Å; K95-L97 PolarHBondContact O-N 3.33Å; L97-I99 HydrophobicContact CB-CB 4.48Å; L97-I99 HydrophobicContact CB-CD1 3.5Å; L97-I99 VanDerWaalsContact CB-CD1 3.5Å; L97-I99 HydrophobicContact CB-CG1 3.7Å; L97-I99 HydrophobicContact CD1-CD1 3.69Å; L97-I99 HydrophobicContact CG-CD1 4.23Å; L97-I99 PolarHBondContact O-N 3.49Å
98	N	72.8	Confident	73.3	Confident	64 Å²	64	74.5 Å²	74.5	34%	0.342	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.7	36.7	-172.8	-157.3	84.7	0	0	0	112.3	R12 L94 K95 K96 R105	R12-N98 PolarHBondContact NH1-ND2 2.98Å; R12-N98 PolarHBondContact NH2-ND2 3.37Å; L94-N98 PolarHBondContact O-N 2.84Å; K95-N98 PolarHBondContact O-N 3.28Å; K96-N98 PolarHBondContact O-N 2.88Å; N98-R105 PolarHBondContact O-NE 3.38Å; N98-R105 PolarHBondContact O-NH2 3.44Å
99	I	73.4	Confident	72.4	Confident	53 Å²	53	69.7 Å²	69.7	27%	0.272	33%	0.334	S	S	.	.			trans	-88	-23.5	175	-59.2	166.4	0	0	0	112.6	W58 L94 L97 D101	W58-I99 WeakPolarHBondContact CZ3-O 3.22Å; L94-I99 HydrophobicContact CD2-CB 3.94Å; L94-I99 HydrophobicContact CD2-CD1 4.29Å; L94-I99 HydrophobicContact CD2-CG2 3.77Å; L94-I99 PolarHBondContact O-N 2.77Å; L97-I99 HydrophobicContact CB-CB 4.48Å; L97-I99 HydrophobicContact CB-CD1 3.5Å; L97-I99 VanDerWaalsContact CB-CD1 3.5Å; L97-I99 HydrophobicContact CB-CG1 3.7Å; L97-I99 HydrophobicContact CD1-CD1 3.69Å; L97-I99 HydrophobicContact CG-CD1 4.23Å; L97-I99 PolarHBondContact O-N 3.49Å; I99-D101 VanDerWaalsContact C-N 3.34Å; I99-D101 PolarHBondContact O-N 2.75Å
100	F	70.9	Confident	71.6	Confident	1 Å²	1	68.8 Å²	68.8	0%	0.004	34%	0.335	C	S	.	.	S	Bend	trans	-78.3	-10.6	-172.2	-160.2	-100.4	0	0	0	115.4	L50 Y56 W58 W63 L72 L91 L94 K95	L50-F100 HydrophobicContact CD1-CD1 4.11Å; L50-F100 HydrophobicContact CD1-CE1 3.47Å; L50-F100 VanDerWaalsContact CD1-CE1 3.47Å; L50-F100 HydrophobicContact CD1-CZ 3.99Å; Y56-F100 AromaticContact CD1-CD1 3.52Å; Y56-F100 HydrophobicContact CD1-CD1 3.52Å; Y56-F100 HydrophobicContact CD1-CE1 4.11Å; Y56-F100 HydrophobicContact CD2-CD1 4.06Å; Y56-F100 AromaticContact CD2-CE1 3.98Å; Y56-F100 HydrophobicContact CD2-CE1 3.98Å; Y56-F100 AromaticContact CE1-CD1 3.93Å; Y56-F100 HydrophobicContact CE1-CD1 3.93Å; Y56-F100 HydrophobicContact CE2-CD1 4.43Å; Y56-F100 AromaticContact CG-CD1 3.57Å; Y56-F100 HydrophobicContact CG-CD1 3.57Å; Y56-F100 AromaticContact CG-CE1 3.65Å; Y56-F100 HydrophobicContact CG-CE1 3.65Å; W58-F100 HydrophobicContact CB-CZ 4.24Å; W58-F100 AromaticContact CD1-CZ 3.95Å; W58-F100 HydrophobicContact CD2-CD2 4.04Å; W58-F100 HydrophobicContact CD2-CE1 4.39Å; W58-F100 AromaticContact CD2-CE2 3.56Å; W58-F100 HydrophobicContact CD2-CE2 3.56Å; W58-F100 AromaticContact CD2-CZ 3.71Å; W58-F100 HydrophobicContact CD2-CZ 3.71Å; W58-F100 AromaticContact CE2-CD2 3.99Å; W58-F100 AromaticContact CE2-CE2 3.42Å; W58-F100 VanDerWaalsContact CE2-CE2 3.42Å; W58-F100 AromaticContact CE2-CZ 3.97Å; W58-F100 AromaticContact CE3-CD2 3.98Å; W58-F100 HydrophobicContact CE3-CD2 3.98Å; W58-F100 AromaticContact CE3-CE2 3.98Å; W58-F100 HydrophobicContact CE3-CE2 3.98Å; W58-F100 HydrophobicContact CE3-CG 4.26Å; W58-F100 HydrophobicContact CE3-CZ 4.24Å; W58-F100 HydrophobicContact CG-CE1 4.39Å; W58-F100 HydrophobicContact CG-CE2 4.02Å; W58-F100 AromaticContact CG-CZ 3.71Å; W58-F100 HydrophobicContact CG-CZ 3.71Å; W58-F100 AromaticContact CH2-CD2 3.83Å; W58-F100 HydrophobicContact CH2-CD2 3.83Å; W58-F100 HydrophobicContact CH2-CE2 4.13Å; W58-F100 AromaticContact CZ2-CD2 3.89Å; W58-F100 HydrophobicContact CZ2-CD2 3.89Å; W58-F100 AromaticContact CZ2-CE2 3.72Å; W58-F100 HydrophobicContact CZ2-CE2 3.72Å; W58-F100 VanDerWaalsContact CZ3-C 3.42Å; W58-F100 HydrophobicContact CZ3-CB 4.42Å; W58-F100 AromaticContact CZ3-CD2 3.89Å; W58-F100 HydrophobicContact CZ3-CD2 3.89Å; W58-F100 HydrophobicContact CZ3-CE2 4.25Å; W58-F100 HydrophobicContact CZ3-CG 4.27Å; W58-F100 VanDerWaalsContact CZ3-O 3.25Å; W58-F100 WeakPolarHBondContact CZ3-O 3.46Å; W58-F100 AromaticContact NE1-CE2 3.79Å; W63-F100 HydrophobicContact CH2-CE2 4.15Å; W63-F100 AromaticContact CH2-CZ 3.76Å; W63-F100 HydrophobicContact CH2-CZ 3.76Å; W63-F100 HydrophobicContact CZ2-CE1 4.4Å; W63-F100 HydrophobicContact CZ2-CE2 4.14Å; W63-F100 AromaticContact CZ2-CZ 3.46Å; W63-F100 HydrophobicContact CZ2-CZ 3.46Å; W63-F100 VanDerWaalsContact CZ2-CZ 3.46Å; L72-F100 HydrophobicContact CD2-CE2 4.31Å; L91-F100 HydrophobicContact CD1-CD1 4.4Å; L91-F100 HydrophobicContact CD1-CD2 3.59Å; L91-F100 HydrophobicContact CD1-CE1 4.27Å; L91-F100 HydrophobicContact CD1-CE2 3.4Å; L91-F100 VanDerWaalsContact CD1-CE2 3.4Å; L91-F100 HydrophobicContact CD1-CG 4.12Å; L91-F100 HydrophobicContact CD1-CZ 3.82Å; L94-F100 HydrophobicContact CB-CB 4.15Å; L94-F100 HydrophobicContact CB-CD2 4.23Å; L94-F100 HydrophobicContact CD1-CD2 4.34Å; L94-F100 PolarHBondContact O-N 3.45Å; K95-F100 HydrophobicContact CG-CB 4.17Å; K95-F100 HydrophobicContact CG-CD1 4.47Å; K95-F100 HydrophobicContact CG-CG 4.35Å
101	D	68.6	Low	70.9	Confident	36 Å²	36	71 Å²	71	19%	0.193	35%	0.346	C	S	.	.			trans	-111.4	115.6	177	-163.8	-15.8	0	0	0	109.9	Y56 I99 T103 R105	Y56-D101 HydrophobicContact CD1-CB 4.16Å; I99-D101 VanDerWaalsContact C-N 3.34Å; I99-D101 PolarHBondContact O-N 2.75Å; D101-T103 VanDerWaalsContact CG-OG1 3.23Å; D101-T103 WeakPolarHBondContact OD1-CB 3.29Å; D101-T103 WeakPolarHBondContact OD1-CG2 3.44Å; D101-T103 PolarHBondContact OD1-N 2.92Å; D101-T103 VanDerWaalsContact OD1-N 3.11Å; D101-T103 PolarHBondContact OD1-OG1 3.01Å; D101-T103 PolarHBondContact OD2-OG1 2.74Å; D101-R105 WeakPolarHBondContact O-CD 3.34Å
102	H	64.5	Low	70.4	Confident	17 Å²	17	69.8 Å²	69.8	8%	0.079	34%	0.34	C	S	.	.			trans	-86.2	-13	-177.8	-70.7	-57.4	0	0	0	113.8	L45 H57 W58 E104 R105 Y106	L45-H102 HydrophobicContact CD1-CB 4.05Å; L45-H102 HydrophobicContact CD2-CB 3.88Å; H57-H102 PolarHBondContact O-N 2.84Å; W58-H102 AromaticContact CD2-CD2 3.87Å; W58-H102 AromaticContact CD2-NE2 3.79Å; W58-H102 AromaticContact CE3-CD2 3.15Å; W58-H102 AromaticContact CE3-CE1 3.98Å; W58-H102 AromaticContact CE3-NE2 3.16Å; W58-H102 AromaticContact CH2-CE1 3.93Å; W58-H102 AromaticContact CH2-NE2 3.55Å; W58-H102 AromaticContact CZ3-CD2 3.45Å; W58-H102 VanDerWaalsContact CZ3-CD2 3.45Å; W58-H102 WeakPolarHBondContact CZ3-CD2 3.27Å; W58-H102 AromaticContact CZ3-CE1 3.44Å; W58-H102 VanDerWaalsContact CZ3-CE1 3.44Å; W58-H102 WeakPolarHBondContact CZ3-CE1 3.32Å; W58-H102 AromaticContact CZ3-NE2 3.01Å; W58-H102 WeakPolarHBondContact CZ3-NE2 3.43Å; H102-E104 PolarHBondContact O-N 3.3Å; H102-R105 PolarHBondContact O-N 3.46Å; H102-R105 VanDerWaalsContact O-N 3.13Å; H102-Y106 HydrophobicContact CB-CD2 3.93Å; H102-Y106 HydrophobicContact CB-CE2 3.84Å; H102-Y106 AromaticContact CE1-CE2 3.99Å; H102-Y106 AromaticContact CG-CE2 3.69Å; H102-Y106 AromaticContact ND1-CE2 3.34Å; H102-Y106 VanDerWaalsContact ND1-CE2 3.34Å; H102-Y106 WeakPolarHBondContact ND1-CE2 3.25Å
103	T	60.6	Low	70	Confident	64 Å²	64	64.3 Å²	64.3	39%	0.393	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-40.2	-175.8	47.3	0	0	0	0	113.5	H57 D101	H57-T103 HydrophobicContact CB-CG2 3.55Å; H57-T103 WeakPolarHBondContact CD2-CG2 3.35Å; D101-T103 VanDerWaalsContact CG-OG1 3.23Å; D101-T103 WeakPolarHBondContact OD1-CB 3.29Å; D101-T103 WeakPolarHBondContact OD1-CG2 3.44Å; D101-T103 PolarHBondContact OD1-N 2.92Å; D101-T103 VanDerWaalsContact OD1-N 3.11Å; D101-T103 PolarHBondContact OD1-OG1 3.01Å; D101-T103 PolarHBondContact OD2-OG1 2.74Å
104	E	59.9	Low	69.6	Low	122 Å²	122	68.3 Å²	68.3	57%	0.57	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	1.1	-175.7	-64.2	-177.5	-175.2	0	0	113.7	R12 H102	R12-E104 IonicContact CZ-OE2 3.74Å; R12-E104 IonicContact NH1-OE2 2.69Å; R12-E104 PolarHBondContact NH1-OE2 2.66Å; R12-E104 IonicContact NH2-OE2 3.58Å; H102-E104 PolarHBondContact O-N 3.3Å
105	R	60.3	Low	69.5	Low	82 Å²	82	73.8 Å²	73.8	31%	0.309	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-39.3	-172.2	-77.6	175.2	173.8	-110.6	-24.2	114.1	N98 D101 H102 V107	N98-R105 PolarHBondContact O-NE 3.38Å; N98-R105 PolarHBondContact O-NH2 3.44Å; D101-R105 WeakPolarHBondContact O-CD 3.34Å; H102-R105 PolarHBondContact O-N 3.46Å; H102-R105 VanDerWaalsContact O-N 3.13Å; R105-V107 PolarHBondContact O-N 3.15Å
106	Y	59.2	Low	69.2	Low	134 Å²	134	73.1 Å²	73.1	53%	0.525	36%	0.359	S	S	.	.			trans	-87	111	175.3	-64.4	-74.3	0	0	0	106.9	H102	H102-Y106 HydrophobicContact CB-CD2 3.93Å; H102-Y106 HydrophobicContact CB-CE2 3.84Å; H102-Y106 AromaticContact CE1-CE2 3.99Å; H102-Y106 AromaticContact CG-CE2 3.69Å; H102-Y106 AromaticContact ND1-CE2 3.34Å; H102-Y106 VanDerWaalsContact ND1-CE2 3.34Å; H102-Y106 WeakPolarHBondContact ND1-CE2 3.25Å
107	V	61.7	Low	69.1	Low	42 Å²	42	69.9 Å²	69.9	26%	0.255	35%	0.351	S	S	.	.			trans	-92.8	132.2	163.6	-156.2	0	0	0	0	106.4	R105 P109 Y112	R105-V107 PolarHBondContact O-N 3.15Å; V107-P109 WeakPolarHBondContact O-CD 3.4Å; V107-P109 VanDerWaalsContact O-N 3.1Å; V107-Y112 HydrophobicContact CB-CD2 3.75Å; V107-Y112 HydrophobicContact CB-CG 4.29Å; V107-Y112 HydrophobicContact CG1-CD2 3.7Å; V107-Y112 HydrophobicContact CG1-CG 4.13Å; V107-Y112 HydrophobicContact CG2-CD2 3.73Å; V107-Y112 HydrophobicContact CG2-CE2 4.31Å
108	D	67.5	Low	69	Low	61 Å²	61	64.8 Å²	64.8	33%	0.326	32%	0.324	S	S	.	.			trans	-53.8	116.2	163.3	165.1	26.4	0	0	0	107.6	A110 N111 Y112	D108-A110 PolarHBondContact O-N 3.17Å; D108-A110 PolarHBondContact OD1-N 3.06Å; D108-A110 VanDerWaalsContact OD1-N 3.13Å; D108-N111 HydrophobicContact CB-CB 4.16Å; D108-N111 PolarHBondContact O-N 3.26Å; D108-N111 VanDerWaalsContact OD2-CB 3.32Å; D108-N111 WeakPolarHBondContact OD2-CB 3.46Å; D108-N111 PolarHBondContact OD2-N 3.47Å; D108-N111 VanDerWaalsContact OD2-N 3.15Å; D108-N111 PolarHBondContact OD2-ND2 3.48Å; D108-Y112 WeakPolarHBondContact O-CB 3.38Å; D108-Y112 PolarHBondContact O-N 3.41Å
109	P	65.1	Low	69.4	Low	30 Å²	30	63.1 Å²	63.1	20%	0.195	32%	0.317	C	S	.	.	H	α-helix	trans	-55.7	-36.9	-176.9	-25.9	35.5	0	0	0	112.4	I15 L38 V107 Y112 L113	I15-P109 HydrophobicContact CD1-CB 4.41Å; I15-P109 HydrophobicContact CD1-CG 4.35Å; L38-P109 HydrophobicContact CD2-CG 3.96Å; V107-P109 WeakPolarHBondContact O-CD 3.4Å; V107-P109 VanDerWaalsContact O-N 3.1Å; P109-Y112 PolarHBondContact O-N 3.04Å; P109-L113 VanDerWaalsContact O-CB 3.25Å; P109-L113 WeakPolarHBondContact O-CB 3.33Å; P109-L113 VanDerWaalsContact O-CD1 3.31Å; P109-L113 WeakPolarHBondContact O-CD1 3.46Å; P109-L113 WeakPolarHBondContact O-CG 3.49Å; P109-L113 PolarHBondContact O-N 3.37Å
110	A	68.1	Low	70.2	Confident	45 Å²	45	61.1 Å²	61.1	37%	0.372	31%	0.306	S	S	.	.	H	α-helix	trans	-65.8	-50.4	-179.4	0	0	0	0	0	111.3	D108 L113 K114	D108-A110 PolarHBondContact O-N 3.17Å; D108-A110 PolarHBondContact OD1-N 3.06Å; D108-A110 VanDerWaalsContact OD1-N 3.13Å; A110-L113 PolarHBondContact O-N 3.46Å; A110-K114 WeakPolarHBondContact O-CB 3.42Å; A110-K114 PolarHBondContact O-N 3.13Å; A110-K114 VanDerWaalsContact O-N 3.08Å
111	N	70.7	Confident	71.2	Confident	77 Å²	77	61.1 Å²	61.1	41%	0.412	31%	0.306	S	S	.	.	H	α-helix	trans	-64.1	-40.7	174.1	-75.8	-38.6	0	0	0	112.1	D108 L113 K114 E115	D108-N111 HydrophobicContact CB-CB 4.16Å; D108-N111 PolarHBondContact O-N 3.26Å; D108-N111 VanDerWaalsContact OD2-CB 3.32Å; D108-N111 WeakPolarHBondContact OD2-CB 3.46Å; D108-N111 PolarHBondContact OD2-N 3.47Å; D108-N111 VanDerWaalsContact OD2-N 3.15Å; D108-N111 PolarHBondContact OD2-ND2 3.48Å; N111-L113 PolarHBondContact O-N 3.44Å; N111-K114 PolarHBondContact O-N 2.83Å; N111-E115 VanDerWaalsContact O-CB 3.31Å; N111-E115 WeakPolarHBondContact O-CB 3.34Å; N111-E115 VanDerWaalsContact O-CG 3.32Å; N111-E115 WeakPolarHBondContact O-CG 3.43Å; N111-E115 PolarHBondContact O-N 2.77Å
112	Y	70.9	Confident	72.3	Confident	5 Å²	5	59.9 Å²	59.9	2%	0.02	30%	0.3	C	S	.	.	H	α-helix	trans	-59.2	-50.4	176.8	-170.2	-75.1	0	0	0	110.8	K13 V107 D108 P109 K114 E115 N116 P118 S204 F206	K13-Y112 HydrophobicContact CB-CE2 4.28Å; K13-Y112 HydrophobicContact CD-CE2 3.67Å; V107-Y112 HydrophobicContact CB-CD2 3.75Å; V107-Y112 HydrophobicContact CB-CG 4.29Å; V107-Y112 HydrophobicContact CG1-CD2 3.7Å; V107-Y112 HydrophobicContact CG1-CG 4.13Å; V107-Y112 HydrophobicContact CG2-CD2 3.73Å; V107-Y112 HydrophobicContact CG2-CE2 4.31Å; D108-Y112 WeakPolarHBondContact O-CB 3.38Å; D108-Y112 PolarHBondContact O-N 3.41Å; P109-Y112 PolarHBondContact O-N 3.04Å; Y112-K114 PolarHBondContact O-N 3.36Å; Y112-E115 PolarHBondContact O-N 3.03Å; Y112-N116 HydrophobicContact CD1-CB 3.71Å; Y112-N116 HydrophobicContact CE1-CB 3.32Å; Y112-N116 HydrophobicContact CE2-CB 4.4Å; Y112-N116 HydrophobicContact CG-CB 4.37Å; Y112-N116 WeakPolarHBondContact O-CA 3.45Å; Y112-N116 WeakPolarHBondContact O-CB 3.39Å; Y112-N116 PolarHBondContact O-N 3.03Å; Y112-N116 PolarHBondContact O-ND2 2.74Å; Y112-P118 HydrophobicContact CE1-CB 4.17Å; Y112-P118 HydrophobicContact CE1-CG 4.39Å; Y112-S204 WeakPolarHBondContact OH-CB 3.38Å; Y112-F206 HydrophobicContact CD1-CD2 4.48Å; Y112-F206 AromaticContact CD1-CE2 3.21Å; Y112-F206 HydrophobicContact CD1-CE2 3.21Å; Y112-F206 AromaticContact CD1-CZ 3.36Å; Y112-F206 HydrophobicContact CD1-CZ 3.36Å; Y112-F206 HydrophobicContact CE1-CD2 4.12Å; Y112-F206 AromaticContact CE1-CE2 3.14Å; Y112-F206 HydrophobicContact CE1-CE2 3.14Å; Y112-F206 AromaticContact CE1-CZ 3.81Å; Y112-F206 HydrophobicContact CE1-CZ 3.81Å; Y112-F206 HydrophobicContact CG-CE2 4.21Å; Y112-F206 HydrophobicContact CG-CZ 4.02Å
113	L	73.6	Confident	73.8	Confident	47 Å²	47	59.8 Å²	59.8	25%	0.246	30%	0.302	C	S	.	.	H	α-helix	trans	-65.5	-24.4	-178.2	-72.3	164.3	0	0	0	112.7	P109 A110 N111 N116 P118 F120 F143 F206	P109-L113 VanDerWaalsContact O-CB 3.25Å; P109-L113 WeakPolarHBondContact O-CB 3.33Å; P109-L113 VanDerWaalsContact O-CD1 3.31Å; P109-L113 WeakPolarHBondContact O-CD1 3.46Å; P109-L113 WeakPolarHBondContact O-CG 3.49Å; P109-L113 PolarHBondContact O-N 3.37Å; A110-L113 PolarHBondContact O-N 3.46Å; N111-L113 PolarHBondContact O-N 3.44Å; L113-N116 CarbonylContact C-O 3.58Å; L113-P118 HydrophobicContact CD2-CG 3.57Å; L113-F120 HydrophobicContact CD2-CZ 4.27Å; L113-F143 HydrophobicContact CD1-CE1 3.85Å; L113-F143 HydrophobicContact CD1-CZ 3.66Å; L113-F143 HydrophobicContact CD2-CE1 3.88Å; L113-F143 HydrophobicContact CD2-CZ 4.15Å; L113-F143 HydrophobicContact CG-CE1 4.35Å; L113-F206 HydrophobicContact CD2-CE1 4.39Å; L113-F206 HydrophobicContact CD2-CE2 4.28Å; L113-F206 HydrophobicContact CD2-CZ 3.97Å; L113-F206 HydrophobicContact CG-CZ 4.19Å
114	K	74.5	Confident	75.4	Confident	174 Å²	174	57 Å²	57	76%	0.757	29%	0.286	S	S	*	.	H	α-helix	trans	-81.4	-44.5	175.2	-175.7	-177.9	177.9	-174.8	0	112.4	A110 N111 Y112	A110-K114 WeakPolarHBondContact O-CB 3.42Å; A110-K114 PolarHBondContact O-N 3.13Å; A110-K114 VanDerWaalsContact O-N 3.08Å; N111-K114 PolarHBondContact O-N 2.83Å; Y112-K114 PolarHBondContact O-N 3.36Å
115	E	77.8	Confident	77.1	Confident	148 Å²	148	52.7 Å²	52.7	69%	0.692	27%	0.266	S	S	*	.	H	α-helix	trans	-85.1	-22.8	-175.5	-68.4	178.1	177.3	0	0	113.1	N111 Y112	N111-E115 VanDerWaalsContact O-CB 3.31Å; N111-E115 WeakPolarHBondContact O-CB 3.34Å; N111-E115 VanDerWaalsContact O-CG 3.32Å; N111-E115 WeakPolarHBondContact O-CG 3.43Å; N111-E115 PolarHBondContact O-N 2.77Å; Y112-E115 PolarHBondContact O-N 3.03Å
116	N	74.1	Confident	78.8	Confident	41 Å²	41	50.8 Å²	50.8	22%	0.219	27%	0.265	C	S	.	.	S	Bend	trans	-120.7	151	-178.3	-52.4	-102.9	0	0	0	108.3	Y112 L113 P118	Y112-N116 HydrophobicContact CD1-CB 3.71Å; Y112-N116 HydrophobicContact CE1-CB 3.32Å; Y112-N116 HydrophobicContact CE2-CB 4.4Å; Y112-N116 HydrophobicContact CG-CB 4.37Å; Y112-N116 WeakPolarHBondContact O-CA 3.45Å; Y112-N116 WeakPolarHBondContact O-CB 3.39Å; Y112-N116 PolarHBondContact O-N 3.03Å; Y112-N116 PolarHBondContact O-ND2 2.74Å; L113-N116 CarbonylContact C-O 3.58Å; N116-P118 WeakPolarHBondContact O-CD 3.21Å
117	D	76.9	Confident	80.4	Confident	114 Å²	114	48.8 Å²	48.8	61%	0.61	27%	0.271	S	S	*	.			trans	-105.2	80.6	172.1	-172.9	10.5	0	0	0	109.6	K146	D117-K146 WeakPolarHBondContact OD1-CD 3.39Å; D117-K146 WeakPolarHBondContact OD1-CE 3.48Å; D117-K146 IonicContact OD1-NZ 2.76Å; D117-K146 PolarHBondContact OD1-NZ 3.4Å; D117-K146 IonicContact OD2-NZ 2.6Å
118	P	77.6	Confident	81.9	Confident	3 Å²	3	50.6 Å²	50.6	2%	0.019	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-74.1	150.9	-175.5	27.9	-33.8	0	0	0	113.4	Y112 L113 N116 F206	Y112-P118 HydrophobicContact CE1-CB 4.17Å; Y112-P118 HydrophobicContact CE1-CG 4.39Å; L113-P118 HydrophobicContact CD2-CG 3.57Å; N116-P118 WeakPolarHBondContact O-CD 3.21Å; P118-F206 HydrophobicContact CB-CD2 3.07Å; P118-F206 HydrophobicContact CB-CE2 3.27Å; P118-F206 HydrophobicContact CB-CG 4.11Å; P118-F206 HydrophobicContact CG-CD2 3.66Å; P118-F206 HydrophobicContact CG-CE2 3.44Å; P118-F206 VanDerWaalsContact CG-CE2 3.44Å; P118-F206 HydrophobicContact CG-CZ 4.33Å
119	V	81.8	Confident	83.2	Confident	30 Å²	30	48.7 Å²	48.7	18%	0.182	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	129.5	166.7	-170.5	0	0	0	0	109.7	I149 S204 F206	V119-I149 HydrophobicContact CB-CD1 4.43Å; V119-I149 HydrophobicContact CG1-CD1 3.36Å; V119-I149 HydrophobicContact CG1-CG1 3.71Å; V119-S204 PolarHBondContact N-O 2.69Å; V119-F206 PolarHBondContact O-N 2.92Å
120	F	89.4	Confident	84.5	Confident	10 Å²	10	49.1 Å²	49.1	4%	0.044	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	131.4	174.3	-67.1	-79.1	0	0	0	109.9	L113 V139 F143 K146 T147 I148 I149 F206 I208	L113-F120 HydrophobicContact CD2-CZ 4.27Å; F120-V139 HydrophobicContact CB-CG1 4.08Å; F120-V139 HydrophobicContact CD1-CG1 4.01Å; F120-V139 HydrophobicContact CD1-CG2 4.33Å; F120-V139 HydrophobicContact CD2-CG1 3.5Å; F120-V139 VanDerWaalsContact CD2-CG1 3.5Å; F120-V139 HydrophobicContact CE1-CG1 4.31Å; F120-V139 HydrophobicContact CE2-CG1 3.85Å; F120-V139 HydrophobicContact CG-CG1 3.57Å; F120-V139 HydrophobicContact CZ-CG1 4.24Å; F120-F143 HydrophobicContact CE1-CD2 4.2Å; F120-F143 HydrophobicContact CE1-CE2 4.24Å; F120-F143 HydrophobicContact CE2-CB 3.77Å; F120-F143 HydrophobicContact CE2-CD1 4.22Å; F120-F143 AromaticContact CE2-CD2 3.9Å; F120-F143 HydrophobicContact CE2-CD2 3.9Å; F120-F143 AromaticContact CE2-CG 3.69Å; F120-F143 HydrophobicContact CE2-CG 3.69Å; F120-F143 HydrophobicContact CZ-CB 4.18Å; F120-F143 AromaticContact CZ-CD1 3.98Å; F120-F143 HydrophobicContact CZ-CD1 3.98Å; F120-F143 AromaticContact CZ-CD2 3.42Å; F120-F143 HydrophobicContact CZ-CD2 3.42Å; F120-F143 VanDerWaalsContact CZ-CD2 3.42Å; F120-F143 HydrophobicContact CZ-CE1 4.22Å; F120-F143 AromaticContact CZ-CE2 3.7Å; F120-F143 HydrophobicContact CZ-CE2 3.7Å; F120-F143 AromaticContact CZ-CG 3.58Å; F120-F143 HydrophobicContact CZ-CG 3.58Å; F120-F143 HydrophobicContact CZ-CZ 4.09Å; F120-K146 HydrophobicContact CD2-CB 3.9Å; F120-K146 HydrophobicContact CE2-CB 3.79Å; F120-K146 HydrophobicContact CE2-CG 4.02Å; F120-T147 PolarHBondContact N-O 3.17Å; F120-I148 HydrophobicContact CB-CG1 4.25Å; F120-I148 HydrophobicContact CB-CG2 4.48Å; F120-I148 CarbonylContact O-C 3.49Å; F120-I148 WeakPolarHBondContact O-CA 3.39Å; F120-I149 PolarHBondContact O-N 2.81Å; F120-F206 HydrophobicContact CD1-CB 4.1Å; F120-F206 HydrophobicContact CE1-CB 4.37Å; F120-I208 HydrophobicContact CD1-CD1 3.61Å; F120-I208 HydrophobicContact CD1-CG1 4.42Å; F120-I208 HydrophobicContact CE1-CD1 4.2Å
121	L	91.6	Very high	85.6	Confident	1 Å²	1	49.1 Å²	49.1	1%	0.005	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	129.5	-179.4	-163.4	168.7	0	0	0	110	I149 Y151 I195 R199 L205 F206 F207 I208	L121-I149 WeakPolarHBondContact CA-O 3.35Å; L121-I149 HydrophobicContact CG-CB 4.29Å; L121-I149 HydrophobicContact CG-CG2 4.45Å; L121-Y151 HydrophobicContact CD1-CE2 4.21Å; L121-Y151 HydrophobicContact CD2-CD2 4.05Å; L121-Y151 HydrophobicContact CG-CD2 4.36Å; L121-Y151 HydrophobicContact CG-CE2 4.47Å; L121-I195 HydrophobicContact CD1-CG2 3.48Å; L121-I195 VanDerWaalsContact CD1-CG2 3.48Å; L121-I195 HydrophobicContact CD2-CG2 3.79Å; L121-I195 HydrophobicContact CG-CG2 4.22Å; L121-R199 HydrophobicContact CD1-CB 4.06Å; L121-R199 HydrophobicContact CD1-CG 3.89Å; L121-L205 HydrophobicContact CD1-CD2 4.2Å; L121-F206 PolarHBondContact N-O 2.96Å; L121-F207 HydrophobicContact CB-CD2 3.97Å; L121-F207 HydrophobicContact CB-CE2 4.46Å; L121-F207 HydrophobicContact CD1-CD2 4.11Å; L121-F207 HydrophobicContact CD1-CE2 4.07Å; L121-F207 HydrophobicContact CD2-CD2 3.58Å; L121-F207 HydrophobicContact CD2-CE2 3.19Å; L121-F207 HydrophobicContact CD2-CZ 4.13Å; L121-F207 HydrophobicContact CG-CD2 4.07Å; L121-F207 HydrophobicContact CG-CE2 4.07Å; L121-I208 PolarHBondContact O-N 3.41Å
122	T	93.2	Very high	86.6	Confident	10 Å²	10	45.7 Å²	45.7	6%	0.061	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	164.8	169.1	-159.4	0	0	0	0	112	V132 I136 I149 F150 Y151 I208	T122-V132 HydrophobicContact CG2-CG2 3.73Å; T122-I136 HydrophobicContact CG2-CG1 4.39Å; T122-I149 PolarHBondContact N-O 3.44Å; T122-F150 HydrophobicContact CG2-CD2 3.67Å; T122-F150 HydrophobicContact CG2-CE2 4.32Å; T122-F150 WeakPolarHBondContact O-CA 3.41Å; T122-Y151 PolarHBondContact O-N 3.22Å; T122-I208 PolarHBondContact OG1-O 3.02Å
123	A	94.4	Very high	87.7	Confident	16 Å²	16	48.4 Å²	48.4	13%	0.132	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	143	179.4	0	0	0	0	0	110.8	Y151 L153 W191 I195	A123-Y151 VanDerWaalsContact CA-O 3.22Å; A123-Y151 WeakPolarHBondContact CA-O 3.46Å; A123-Y151 WeakPolarHBondContact CB-O 3.49Å; A123-L153 HydrophobicContact CB-CD1 3.96Å; A123-L153 HydrophobicContact CB-CG 4.19Å; A123-W191 HydrophobicContact CB-CE3 4.14Å; A123-W191 HydrophobicContact CB-CH2 3.81Å; A123-W191 HydrophobicContact CB-CZ3 3.43Å; A123-W191 VanDerWaalsContact CB-CZ3 3.43Å; A123-I195 HydrophobicContact CB-CD1 4.08Å
124	A	95.1	Very high	88.6	Confident	6 Å²	6	49.4 Å²	49.4	5%	0.05	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	158.4	-179.8	0	0	0	0	0	111.8	V132 F150 Y151 L153 M155	A124-V132 HydrophobicContact CB-CB 4.01Å; A124-V132 HydrophobicContact CB-CG1 3.96Å; A124-V132 HydrophobicContact CB-CG2 4.17Å; A124-F150 HydrophobicContact CB-CE2 4.15Å; A124-F150 HydrophobicContact CB-CZ 4.07Å; A124-Y151 PolarHBondContact N-O 2.98Å; A124-L153 WeakPolarHBondContact O-CB 3.46Å; A124-L153 PolarHBondContact O-N 2.97Å; A124-M155 HydrophobicContact CB-CE 3.8Å; A124-M155 WeakPolarHBondContact O-CE 3.47Å
125	D	95.7	Very high	89.3	Confident	30 Å²	30	41.8 Å²	41.8	16%	0.16	24%	0.24	C	C	.	.			trans	-101	173	158.6	70.8	-46.9	0	0	0	110.3	S127 Y128 L153 M155 L186	D125-S127 PolarHBondContact O-N 3.35Å; D125-S127 VanDerWaalsContact OD2-CB 3.29Å; D125-S127 WeakPolarHBondContact OD2-CB 3.07Å; D125-S127 PolarHBondContact OD2-OG 2.69Å; D125-Y128 PolarHBondContact O-N 3.41Å; D125-Y128 WeakPolarHBondContact OD1-CD2 3.05Å; D125-L153 HydrophobicContact CB-CB 4.25Å; D125-M155 VanDerWaalsContact O-CE 3.26Å; D125-M155 WeakPolarHBondContact O-CE 3.48Å; D125-L186 HydrophobicContact CB-CD1 3.55Å
126	S	96.2	Very high	90	Very high	42 Å²	42	34.9 Å²	34.9	29%	0.294	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-52.5	-32.7	-177.3	177.9	0	0	0	0	112.7	Y128 F129 G154 E159	S126-Y128 PolarHBondContact O-N 3.28Å; S126-Y128 VanDerWaalsContact O-N 3.08Å; S126-F129 WeakPolarHBondContact O-CB 3.45Å; S126-F129 PolarHBondContact O-N 3.4Å; S126-G154 WeakPolarHBondContact CB-O 3.43Å; S126-G154 PolarHBondContact N-O 3.24Å; S126-G154 VanDerWaalsContact N-O 3.09Å; S126-E159 VanDerWaalsContact CB-OE2 3.24Å; S126-E159 WeakPolarHBondContact CB-OE2 3.33Å; S126-E159 VanDerWaalsContact OG-CD 3.26Å; S126-E159 PolarHBondContact OG-OE1 3.35Å; S126-E159 PolarHBondContact OG-OE2 3.03Å
127	S	93.3	Very high	90.8	Very high	93 Å²	93	41.2 Å²	41.2	65%	0.65	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-56.8	-26.3	176.1	-46.6	0	0	0	0	114.3	D125	D125-S127 PolarHBondContact O-N 3.35Å; D125-S127 VanDerWaalsContact OD2-CB 3.29Å; D125-S127 WeakPolarHBondContact OD2-CB 3.07Å; D125-S127 PolarHBondContact OD2-OG 2.69Å
128	Y	92.1	Very high	91.4	Very high	80 Å²	80	36.3 Å²	36.3	31%	0.314	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-114.3	21	178.9	-62.1	-83.7	0	0	0	113.1	D125 S126 G130 P131 V132	D125-Y128 PolarHBondContact O-N 3.41Å; D125-Y128 WeakPolarHBondContact OD1-CD2 3.05Å; S126-Y128 PolarHBondContact O-N 3.28Å; S126-Y128 VanDerWaalsContact O-N 3.08Å; Y128-G130 PolarHBondContact O-N 3.41Å; Y128-P131 WeakPolarHBondContact O-CD 3.11Å; Y128-V132 WeakPolarHBondContact O-CB 3.36Å; Y128-V132 WeakPolarHBondContact O-CG1 3.33Å; Y128-V132 PolarHBondContact O-N 2.86Å
129	F	94.8	Very high	92	Very high	20 Å²	20	36.7 Å²	36.7	9%	0.088	21%	0.206	C	C	.	.	H	α-helix	trans	-61.2	-45.2	-178.3	-176	-121.3	0	0	0	113.3	S126 V132 K133 M155 E159 E162 L163	S126-F129 WeakPolarHBondContact O-CB 3.45Å; S126-F129 PolarHBondContact O-N 3.4Å; F129-V132 HydrophobicContact CD2-CG1 4.49Å; F129-V132 WeakPolarHBondContact O-CG1 3.36Å; F129-K133 HydrophobicContact CD1-CD 4.49Å; F129-K133 HydrophobicContact CD2-CG 4.44Å; F129-K133 HydrophobicContact CE1-CD 3.87Å; F129-K133 VanDerWaalsContact CE1-CE 3.49Å; F129-K133 HydrophobicContact CE2-CD 4.08Å; F129-K133 HydrophobicContact CE2-CG 4.04Å; F129-K133 HydrophobicContact CZ-CD 3.63Å; F129-K133 HydrophobicContact CZ-CG 4.12Å; F129-K133 WeakPolarHBondContact O-CG 3.32Å; F129-K133 PolarHBondContact O-N 3.25Å; F129-K133 VanDerWaalsContact O-N 3.17Å; F129-M155 HydrophobicContact CD2-SD 3.87Å; F129-E159 HydrophobicContact CB-CG 4.45Å; F129-E159 WeakPolarHBondContact CB-OE1 3.25Å; F129-E159 HydrophobicContact CD1-CB 4.36Å; F129-E159 HydrophobicContact CD1-CG 3.6Å; F129-E159 HydrophobicContact CD2-CB 4Å; F129-E159 HydrophobicContact CD2-CG 4.04Å; F129-E159 HydrophobicContact CE1-CB 4.18Å; F129-E159 HydrophobicContact CE1-CG 3.7Å; F129-E159 HydrophobicContact CE2-CB 3.86Å; F129-E159 HydrophobicContact CE2-CG 4.17Å; F129-E159 HydrophobicContact CG-CB 4.25Å; F129-E159 HydrophobicContact CG-CG 3.76Å; F129-E159 HydrophobicContact CZ-CB 3.93Å; F129-E159 HydrophobicContact CZ-CG 3.99Å; F129-E162 VanDerWaalsContact CE1-OE2 3.22Å; F129-E162 WeakPolarHBondContact CE1-OE2 3.38Å; F129-E162 HydrophobicContact CZ-CB 4.11Å; F129-E162 HydrophobicContact CZ-CG 4.16Å; F129-E162 VanDerWaalsContact CZ-OE2 3.26Å; F129-E162 WeakPolarHBondContact CZ-OE2 2.92Å; F129-L163 HydrophobicContact CE2-CD1 4.15Å; F129-L163 HydrophobicContact CE2-CD2 4Å; F129-L163 HydrophobicContact CE2-CG 3.81Å
130	G	93.2	Very high	92.4	Very high	40 Å²	40	37.7 Å²	37.7	41%	0.412	21%	0.209	S	C	.	.	H	α-helix	trans	-58.7	-56.8	175.3	0	0	0	0	0	113	Y128 V132 K133 V134	Y128-G130 PolarHBondContact O-N 3.41Å; G130-V132 PolarHBondContact O-N 2.85Å; G130-K133 PolarHBondContact O-N 3.36Å; G130-V134 PolarHBondContact O-N 2.91Å
131	P	91.1	Very high	92.5	Very high	45 Å²	45	42.7 Å²	42.7	29%	0.292	23%	0.232	S	C	.	.	H	α-helix	trans	-55.4	-43.7	177.4	-28.8	35.1	0	0	0	114.2	Y128 K133 V134 A135 M210	Y128-P131 WeakPolarHBondContact O-CD 3.11Å; P131-K133 VanDerWaalsContact C-N 3.32Å; P131-K133 PolarHBondContact O-N 2.76Å; P131-V134 WeakPolarHBondContact O-CB 3.31Å; P131-V134 PolarHBondContact O-N 2.77Å; P131-V134 VanDerWaalsContact O-N 3.15Å; P131-A135 PolarHBondContact O-N 2.87Å; P131-A135 VanDerWaalsContact O-N 3.14Å; P131-M210 HydrophobicContact CB-CE 3.78Å; P131-M210 HydrophobicContact CB-SD 3.44Å; P131-M210 WeakPolarHBondContact CB-SD 3.48Å
132	V	91.9	Very high	92.2	Very high	5 Å²	5	47 Å²	47	3%	0.03	25%	0.249	C	C	.	.	H	α-helix	trans	-69.3	-30.5	-177.7	78.7	0	0	0	0	112.6	T122 A124 Y128 F129 G130 V134 A135 I136 F150	T122-V132 HydrophobicContact CG2-CG2 3.73Å; A124-V132 HydrophobicContact CB-CB 4.01Å; A124-V132 HydrophobicContact CB-CG1 3.96Å; A124-V132 HydrophobicContact CB-CG2 4.17Å; Y128-V132 WeakPolarHBondContact O-CB 3.36Å; Y128-V132 WeakPolarHBondContact O-CG1 3.33Å; Y128-V132 PolarHBondContact O-N 2.86Å; F129-V132 HydrophobicContact CD2-CG1 4.49Å; F129-V132 WeakPolarHBondContact O-CG1 3.36Å; G130-V132 PolarHBondContact O-N 2.85Å; V132-V134 VanDerWaalsContact C-N 3.31Å; V132-V134 PolarHBondContact O-N 3Å; V132-A135 PolarHBondContact O-N 3.09Å; V132-I136 HydrophobicContact CG2-CD1 4.32Å; V132-I136 VanDerWaalsContact O-CG1 3.29Å; V132-I136 WeakPolarHBondContact O-CG1 3.25Å; V132-I136 PolarHBondContact O-N 3.12Å; V132-F150 HydrophobicContact CB-CE2 4.33Å; V132-F150 HydrophobicContact CG1-CE2 3.78Å; V132-F150 HydrophobicContact CG1-CZ 4.32Å; V132-F150 HydrophobicContact CG2-CD2 4.2Å; V132-F150 HydrophobicContact CG2-CE2 3.65Å
133	K	94	Very high	91.9	Very high	62 Å²	62	49.4 Å²	49.4	27%	0.27	26%	0.259	S	S	.	.	H	α-helix	trans	-60.4	-40.6	170.9	-74.6	-164.2	-72.7	-177.2	0	112.4	F129 G130 P131 I136 R137 E162 F166	F129-K133 HydrophobicContact CD1-CD 4.49Å; F129-K133 HydrophobicContact CD2-CG 4.44Å; F129-K133 HydrophobicContact CE1-CD 3.87Å; F129-K133 VanDerWaalsContact CE1-CE 3.49Å; F129-K133 HydrophobicContact CE2-CD 4.08Å; F129-K133 HydrophobicContact CE2-CG 4.04Å; F129-K133 HydrophobicContact CZ-CD 3.63Å; F129-K133 HydrophobicContact CZ-CG 4.12Å; F129-K133 WeakPolarHBondContact O-CG 3.32Å; F129-K133 PolarHBondContact O-N 3.25Å; F129-K133 VanDerWaalsContact O-N 3.17Å; G130-K133 PolarHBondContact O-N 3.36Å; P131-K133 VanDerWaalsContact C-N 3.32Å; P131-K133 PolarHBondContact O-N 2.76Å; K133-I136 PolarHBondContact O-N 2.6Å; K133-R137 WeakPolarHBondContact O-CB 3.17Å; K133-R137 PolarHBondContact O-N 2.86Å; K133-E162 WeakPolarHBondContact CD-OE1 3.47Å; K133-E162 IonicContact NZ-OE1 2.7Å; K133-E162 PolarHBondContact NZ-OE1 3.24Å; K133-E162 IonicContact NZ-OE2 3.53Å; K133-F166 HydrophobicContact CD-CE2 4.28Å; K133-F166 HydrophobicContact CD-CZ 3.78Å; K133-F166 HydrophobicContact CG-CE2 3.97Å; K133-F166 HydrophobicContact CG-CZ 4Å
134	V	90.9	Very high	91.6	Very high	67 Å²	67	52 Å²	52	41%	0.406	27%	0.274	S	S	.	.	H	α-helix	trans	-64.7	-43.2	176.7	-179.4	0	0	0	0	110.6	V27 G130 P131 V132 R137 S138	V27-V134 HydrophobicContact CB-CG1 4.16Å; V27-V134 HydrophobicContact CG1-CG1 4.38Å; V27-V134 HydrophobicContact CG2-CG1 3.77Å; G130-V134 PolarHBondContact O-N 2.91Å; P131-V134 WeakPolarHBondContact O-CB 3.31Å; P131-V134 PolarHBondContact O-N 2.77Å; P131-V134 VanDerWaalsContact O-N 3.15Å; V132-V134 VanDerWaalsContact C-N 3.31Å; V132-V134 PolarHBondContact O-N 3Å; V134-R137 PolarHBondContact O-N 3.22Å; V134-S138 WeakPolarHBondContact O-CB 3.31Å; V134-S138 PolarHBondContact O-N 3.04Å
135	A	89.5	Confident	91.3	Very high	14 Å²	14	58.8 Å²	58.8	12%	0.116	31%	0.309	C	S	.	.	H	α-helix	trans	-62	-45.9	176.3	0	0	0	0	0	112.1	P131 V132 S138 V139 M210	P131-A135 PolarHBondContact O-N 2.87Å; P131-A135 VanDerWaalsContact O-N 3.14Å; V132-A135 PolarHBondContact O-N 3.09Å; A135-S138 PolarHBondContact O-N 2.69Å; A135-V139 WeakPolarHBondContact O-CG2 3.02Å; A135-V139 PolarHBondContact O-N 3.49Å; A135-M210 HydrophobicContact CB-SD 4.47Å
136	I	92.4	Very high	90.9	Very high	3 Å²	3	60.1 Å²	60.1	2%	0.015	31%	0.314	C	S	.	.	H	α-helix	trans	-59.9	-49	176.7	-69.7	164.3	0	0	0	110.7	T122 V132 K133 S138 V139 Q140 I148 F150 L163 F166 L169	T122-I136 HydrophobicContact CG2-CG1 4.39Å; V132-I136 HydrophobicContact CG2-CD1 4.32Å; V132-I136 VanDerWaalsContact O-CG1 3.29Å; V132-I136 WeakPolarHBondContact O-CG1 3.25Å; V132-I136 PolarHBondContact O-N 3.12Å; K133-I136 PolarHBondContact O-N 2.6Å; I136-S138 VanDerWaalsContact C-N 3.27Å; I136-S138 PolarHBondContact O-N 3.41Å; I136-V139 PolarHBondContact O-N 3.02Å; I136-Q140 HydrophobicContact CG2-CG 4.35Å; I136-Q140 WeakPolarHBondContact O-CG 2.9Å; I136-Q140 PolarHBondContact O-N 3.44Å; I136-I148 HydrophobicContact CG2-CD1 3.97Å; I136-F150 HydrophobicContact CD1-CD2 4.01Å; I136-F150 HydrophobicContact CD1-CE2 4.41Å; I136-L163 HydrophobicContact CD1-CD2 4.03Å; I136-F166 HydrophobicContact CD1-CD2 4.36Å; I136-F166 HydrophobicContact CD1-CE2 4.42Å; I136-F166 HydrophobicContact CG2-CD2 3.99Å; I136-L169 HydrophobicContact CD1-CD1 3.95Å; I136-L169 HydrophobicContact CD1-CD2 4.42Å; I136-L169 HydrophobicContact CG1-CD1 4.18Å; I136-L169 HydrophobicContact CG2-CD1 4.18Å
137	R	92.5	Very high	90.6	Very high	175 Å²	175	61.4 Å²	61.4	66%	0.66	32%	0.32	S	S	*	.	H	α-helix	trans	-56.7	-43.2	177.9	179.1	178.5	175	171.6	0.8	111.5	K133 V134 Q140 E141	K133-R137 WeakPolarHBondContact O-CB 3.17Å; K133-R137 PolarHBondContact O-N 2.86Å; V134-R137 PolarHBondContact O-N 3.22Å; R137-Q140 PolarHBondContact O-N 2.85Å; R137-E141 WeakPolarHBondContact O-CB 3.34Å; R137-E141 PolarHBondContact O-N 3.31Å
138	S	88.9	Confident	90.6	Very high	11 Å²	11	57.2 Å²	57.2	8%	0.077	29%	0.29	C	S	.	.	H	α-helix	trans	-62.8	-44	178.7	-176.8	0	0	0	0	111.9	I31 V134 A135 I136 Q140 E141 Y142	I31-S138 WeakPolarHBondContact CD1-OG 3.42Å; V134-S138 WeakPolarHBondContact O-CB 3.31Å; V134-S138 PolarHBondContact O-N 3.04Å; A135-S138 PolarHBondContact O-N 2.69Å; I136-S138 VanDerWaalsContact C-N 3.27Å; I136-S138 PolarHBondContact O-N 3.41Å; S138-Q140 VanDerWaalsContact C-N 3.34Å; S138-Q140 PolarHBondContact O-N 3.04Å; S138-E141 PolarHBondContact O-N 2.85Å; S138-Y142 VanDerWaalsContact O-CD2 3.25Å; S138-Y142 WeakPolarHBondContact O-CD2 3.34Å; S138-Y142 PolarHBondContact O-N 2.73Å; S138-Y142 VanDerWaalsContact O-N 3.13Å
139	V	89.2	Confident	90.8	Very high	11 Å²	11	53.6 Å²	53.6	7%	0.067	28%	0.277	C	S	.	.	H	α-helix	trans	-62.7	-42.3	175.1	178	0	0	0	0	111.1	F120 A135 I136 E141 Y142 F143 I148 I208	F120-V139 HydrophobicContact CB-CG1 4.08Å; F120-V139 HydrophobicContact CD1-CG1 4.01Å; F120-V139 HydrophobicContact CD1-CG2 4.33Å; F120-V139 HydrophobicContact CD2-CG1 3.5Å; F120-V139 VanDerWaalsContact CD2-CG1 3.5Å; F120-V139 HydrophobicContact CE1-CG1 4.31Å; F120-V139 HydrophobicContact CE2-CG1 3.85Å; F120-V139 HydrophobicContact CG-CG1 3.57Å; F120-V139 HydrophobicContact CZ-CG1 4.24Å; A135-V139 WeakPolarHBondContact O-CG2 3.02Å; A135-V139 PolarHBondContact O-N 3.49Å; I136-V139 PolarHBondContact O-N 3.02Å; V139-E141 VanDerWaalsContact C-N 3.29Å; V139-E141 PolarHBondContact O-N 3.13Å; V139-Y142 PolarHBondContact O-N 3.45Å; V139-F143 HydrophobicContact CG1-CB 4.4Å; V139-F143 HydrophobicContact CG1-CD2 4.34Å; V139-F143 CarbonylContact O-C 3.54Å; V139-F143 VanDerWaalsContact O-CA 3.31Å; V139-F143 WeakPolarHBondContact O-CA 3Å; V139-F143 VanDerWaalsContact O-CB 3.31Å; V139-F143 WeakPolarHBondContact O-CB 3.43Å; V139-F143 PolarHBondContact O-N 2.82Å; V139-I148 HydrophobicContact CB-CD1 3.76Å; V139-I148 HydrophobicContact CB-CG1 4.32Å; V139-I148 HydrophobicContact CG1-CD1 3.65Å; V139-I148 HydrophobicContact CG1-CG1 3.71Å; V139-I208 HydrophobicContact CG2-CD1 3.39Å
140	Q	91.6	Very high	90.8	Very high	51 Å²	51	52.7 Å²	52.7	24%	0.238	27%	0.272	C	S	.	.	H	α-helix	trans	-64.1	-33.8	177.3	-70.5	168.9	-30.7	0	0	112.8	I136 R137 S138 P144 I148 C167	I136-Q140 HydrophobicContact CG2-CG 4.35Å; I136-Q140 WeakPolarHBondContact O-CG 2.9Å; I136-Q140 PolarHBondContact O-N 3.44Å; R137-Q140 PolarHBondContact O-N 2.85Å; S138-Q140 VanDerWaalsContact C-N 3.34Å; S138-Q140 PolarHBondContact O-N 3.04Å; Q140-P144 WeakPolarHBondContact O-CA 3.46Å; Q140-P144 WeakPolarHBondContact O-CB 3.41Å; Q140-I148 HydrophobicContact CG-CD1 3.76Å; Q140-C167 PolarHBondContact NE2-O 3.5Å
141	E	90.6	Very high	91	Very high	115 Å²	115	51.3 Å²	51.3	54%	0.537	26%	0.255	S	S	.	.	H	α-helix	trans	-70.1	-44.2	179	-174.3	171.1	172.4	0	0	112	R137 S138 V139	R137-E141 WeakPolarHBondContact O-CB 3.34Å; R137-E141 PolarHBondContact O-N 3.31Å; S138-E141 PolarHBondContact O-N 2.85Å; V139-E141 VanDerWaalsContact C-N 3.29Å; V139-E141 PolarHBondContact O-N 3.13Å
142	Y	86	Confident	91.3	Very high	91 Å²	91	49.7 Å²	49.7	36%	0.357	24%	0.244	S	C	.	.	H	α-helix	trans	-88.3	-25.1	-178.3	-71.2	-70.4	0	0	0	114.2	L28 I31 S138 V139 P144	L28-Y142 HydrophobicContact CD1-CE2 3.79Å; L28-Y142 WeakPolarHBondContact CD1-OH 3.35Å; L28-Y142 VanDerWaalsContact CG-OH 3.32Å; L28-Y142 WeakPolarHBondContact CG-OH 3.39Å; I31-Y142 HydrophobicContact CD1-CE2 4.41Å; S138-Y142 VanDerWaalsContact O-CD2 3.25Å; S138-Y142 WeakPolarHBondContact O-CD2 3.34Å; S138-Y142 PolarHBondContact O-N 2.73Å; S138-Y142 VanDerWaalsContact O-N 3.13Å; V139-Y142 PolarHBondContact O-N 3.45Å; Y142-P144 VanDerWaalsContact C-CD 3.5Å
143	F	87	Confident	91.5	Very high	60 Å²	60	50 Å²	50	26%	0.263	25%	0.245	S	C	.	.			trans	-133.1	60.4	-175.9	-55	-80.2	0	0	0	110.9	L113 F120 V139 N145 K146	L113-F143 HydrophobicContact CD1-CE1 3.85Å; L113-F143 HydrophobicContact CD1-CZ 3.66Å; L113-F143 HydrophobicContact CD2-CE1 3.88Å; L113-F143 HydrophobicContact CD2-CZ 4.15Å; L113-F143 HydrophobicContact CG-CE1 4.35Å; F120-F143 HydrophobicContact CE1-CD2 4.2Å; F120-F143 HydrophobicContact CE1-CE2 4.24Å; F120-F143 HydrophobicContact CE2-CB 3.77Å; F120-F143 HydrophobicContact CE2-CD1 4.22Å; F120-F143 AromaticContact CE2-CD2 3.9Å; F120-F143 HydrophobicContact CE2-CD2 3.9Å; F120-F143 AromaticContact CE2-CG 3.69Å; F120-F143 HydrophobicContact CE2-CG 3.69Å; F120-F143 HydrophobicContact CZ-CB 4.18Å; F120-F143 AromaticContact CZ-CD1 3.98Å; F120-F143 HydrophobicContact CZ-CD1 3.98Å; F120-F143 AromaticContact CZ-CD2 3.42Å; F120-F143 HydrophobicContact CZ-CD2 3.42Å; F120-F143 VanDerWaalsContact CZ-CD2 3.42Å; F120-F143 HydrophobicContact CZ-CE1 4.22Å; F120-F143 AromaticContact CZ-CE2 3.7Å; F120-F143 HydrophobicContact CZ-CE2 3.7Å; F120-F143 AromaticContact CZ-CG 3.58Å; F120-F143 HydrophobicContact CZ-CG 3.58Å; F120-F143 HydrophobicContact CZ-CZ 4.09Å; V139-F143 HydrophobicContact CG1-CB 4.4Å; V139-F143 HydrophobicContact CG1-CD2 4.34Å; V139-F143 CarbonylContact O-C 3.54Å; V139-F143 VanDerWaalsContact O-CA 3.31Å; V139-F143 WeakPolarHBondContact O-CA 3Å; V139-F143 VanDerWaalsContact O-CB 3.31Å; V139-F143 WeakPolarHBondContact O-CB 3.43Å; V139-F143 PolarHBondContact O-N 2.82Å; F143-N145 PolarHBondContact O-N 3.32Å; F143-K146 HydrophobicContact CB-CB 3.99Å; F143-K146 HydrophobicContact CB-CG 3.7Å; F143-K146 PolarHBondContact O-N 3.42Å
144	P	88.2	Confident	91.6	Very high	70 Å²	70	49.1 Å²	49.1	46%	0.455	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-23.9	-168.6	23.2	-35.1	0	0	0	114.5	Q140 Y142 N168	Q140-P144 WeakPolarHBondContact O-CA 3.46Å; Q140-P144 WeakPolarHBondContact O-CB 3.41Å; Y142-P144 VanDerWaalsContact C-CD 3.5Å; P144-N168 PolarHBondContact O-ND2 2.73Å
145	N	88.3	Confident	91.9	Very high	149 Å²	149	47.1 Å²	47.1	80%	0.797	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.7	13	-178.2	-61.3	-28.4	0	0	0	113.4	F143	F143-N145 PolarHBondContact O-N 3.32Å
146	K	87.5	Confident	92.3	Very high	58 Å²	58	49.6 Å²	49.6	25%	0.252	25%	0.254	S	S	.	.	S	Bend	trans	-106.4	140.6	-176.8	-58.7	-61.9	-176.7	-177.9	0	111.3	D117 F120 F143	D117-K146 WeakPolarHBondContact OD1-CD 3.39Å; D117-K146 WeakPolarHBondContact OD1-CE 3.48Å; D117-K146 IonicContact OD1-NZ 2.76Å; D117-K146 PolarHBondContact OD1-NZ 3.4Å; D117-K146 IonicContact OD2-NZ 2.6Å; F120-K146 HydrophobicContact CD2-CB 3.9Å; F120-K146 HydrophobicContact CE2-CB 3.79Å; F120-K146 HydrophobicContact CE2-CG 4.02Å; F143-K146 HydrophobicContact CB-CB 3.99Å; F143-K146 HydrophobicContact CB-CG 3.7Å; F143-K146 PolarHBondContact O-N 3.42Å
147	T	90.7	Very high	92.5	Very high	70 Å²	70	58.8 Å²	58.8	43%	0.429	29%	0.294	S	S	.	.			trans	-76.6	135.2	175.4	-56.4	0	0	0	0	110.6	F120 N168 E170	F120-T147 PolarHBondContact N-O 3.17Å; T147-N168 WeakPolarHBondContact CA-O 3.16Å; T147-E170 HydrophobicContact CG2-CB 4.27Å
148	I	93.2	Very high	92.8	Very high	4 Å²	4	57 Å²	57	2%	0.021	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	120.3	173.8	-54.8	168.5	0	0	0	107.9	F120 I136 V139 Q140 N168 L169 E170	F120-I148 HydrophobicContact CB-CG1 4.25Å; F120-I148 HydrophobicContact CB-CG2 4.48Å; F120-I148 CarbonylContact O-C 3.49Å; F120-I148 WeakPolarHBondContact O-CA 3.39Å; I136-I148 HydrophobicContact CG2-CD1 3.97Å; V139-I148 HydrophobicContact CB-CD1 3.76Å; V139-I148 HydrophobicContact CB-CG1 4.32Å; V139-I148 HydrophobicContact CG1-CD1 3.65Å; V139-I148 HydrophobicContact CG1-CG1 3.71Å; Q140-I148 HydrophobicContact CG-CD1 3.76Å; I148-N168 PolarHBondContact N-O 3.31Å; I148-L169 HydrophobicContact CB-CD1 3.72Å; I148-L169 HydrophobicContact CG2-CD1 3.6Å; I148-L169 CarbonylContact O-C 3.5Å; I148-L169 WeakPolarHBondContact O-CA 3.36Å; I148-E170 PolarHBondContact O-N 3.13Å
149	I	94.5	Very high	93.2	Very high	5 Å²	5	57.3 Å²	57.3	3%	0.026	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	120.8	171.1	-59.1	163.5	0	0	0	108.6	V119 F120 L121 T122 Y151 E170 V172	V119-I149 HydrophobicContact CB-CD1 4.43Å; V119-I149 HydrophobicContact CG1-CD1 3.36Å; V119-I149 HydrophobicContact CG1-CG1 3.71Å; F120-I149 PolarHBondContact O-N 2.81Å; L121-I149 WeakPolarHBondContact CA-O 3.35Å; L121-I149 HydrophobicContact CG-CB 4.29Å; L121-I149 HydrophobicContact CG-CG2 4.45Å; T122-I149 PolarHBondContact N-O 3.44Å; I149-Y151 HydrophobicContact CG2-CD2 3.82Å; I149-Y151 HydrophobicContact CG2-CE2 3.61Å; I149-E170 HydrophobicContact CG1-CB 4.38Å; I149-V172 HydrophobicContact CG2-CG2 4.43Å
150	F	96.2	Very high	93.7	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	118.8	174.4	-177.8	-90.1	0	0	0	110.9	T122 A124 V132 I136 D152 M155 L163 L169 E170 Y171 V172	T122-F150 HydrophobicContact CG2-CD2 3.67Å; T122-F150 HydrophobicContact CG2-CE2 4.32Å; T122-F150 WeakPolarHBondContact O-CA 3.41Å; A124-F150 HydrophobicContact CB-CE2 4.15Å; A124-F150 HydrophobicContact CB-CZ 4.07Å; V132-F150 HydrophobicContact CB-CE2 4.33Å; V132-F150 HydrophobicContact CG1-CE2 3.78Å; V132-F150 HydrophobicContact CG1-CZ 4.32Å; V132-F150 HydrophobicContact CG2-CD2 4.2Å; V132-F150 HydrophobicContact CG2-CE2 3.65Å; I136-F150 HydrophobicContact CD1-CD2 4.01Å; I136-F150 HydrophobicContact CD1-CE2 4.41Å; F150-D152 HydrophobicContact CD1-CB 4.48Å; F150-D152 HydrophobicContact CE1-CB 4.07Å; F150-M155 HydrophobicContact CE1-CE 4.13Å; F150-M155 HydrophobicContact CE1-CG 4.24Å; F150-M155 HydrophobicContact CZ-CE 3.59Å; F150-M155 HydrophobicContact CZ-SD 4.29Å; F150-L163 HydrophobicContact CD1-CD1 3.96Å; F150-L163 HydrophobicContact CD2-CD2 4.37Å; F150-L163 HydrophobicContact CE1-CD1 3.41Å; F150-L163 VanDerWaalsContact CE1-CD1 3.41Å; F150-L163 HydrophobicContact CE1-CD2 4.41Å; F150-L163 HydrophobicContact CE2-CD2 4.22Å; F150-L163 HydrophobicContact CG-CD2 4.5Å; F150-L163 HydrophobicContact CZ-CD1 3.71Å; F150-L163 HydrophobicContact CZ-CD2 4.22Å; F150-L169 HydrophobicContact CB-CD1 3.91Å; F150-L169 HydrophobicContact CB-CD2 4.23Å; F150-L169 HydrophobicContact CB-CG 4.14Å; F150-E170 PolarHBondContact N-O 3.2Å; F150-Y171 HydrophobicContact CD1-CD2 4.08Å; F150-V172 PolarHBondContact O-N 3.28Å
151	Y	96.3	Very high	94	Very high	12 Å²	12	63.3 Å²	63.3	5%	0.047	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	118	170.4	-84.1	-92.3	0	0	0	111.8	L121 T122 A123 A124 I149 L153 V172 F174 I195 R199	L121-Y151 HydrophobicContact CD1-CE2 4.21Å; L121-Y151 HydrophobicContact CD2-CD2 4.05Å; L121-Y151 HydrophobicContact CG-CD2 4.36Å; L121-Y151 HydrophobicContact CG-CE2 4.47Å; T122-Y151 PolarHBondContact O-N 3.22Å; A123-Y151 VanDerWaalsContact CA-O 3.22Å; A123-Y151 WeakPolarHBondContact CA-O 3.46Å; A123-Y151 WeakPolarHBondContact CB-O 3.49Å; A124-Y151 PolarHBondContact N-O 2.98Å; I149-Y151 HydrophobicContact CG2-CD2 3.82Å; I149-Y151 HydrophobicContact CG2-CE2 3.61Å; Y151-L153 PolarHBondContact O-N 2.86Å; Y151-V172 CarbonylContact C-O 3.57Å; Y151-V172 VanDerWaalsContact CA-O 3.29Å; Y151-V172 WeakPolarHBondContact CA-O 3.43Å; Y151-V172 HydrophobicContact CD1-CB 4.22Å; Y151-V172 HydrophobicContact CD1-CG1 3.9Å; Y151-V172 HydrophobicContact CE1-CB 4.19Å; Y151-V172 HydrophobicContact CE1-CG1 3.53Å; Y151-F174 HydrophobicContact CD1-CB 4.41Å; Y151-F174 HydrophobicContact CD1-CD2 4.08Å; Y151-F174 HydrophobicContact CE1-CD2 4.5Å; Y151-I195 HydrophobicContact CD1-CD1 3.95Å; Y151-I195 HydrophobicContact CD1-CG1 4.09Å; Y151-I195 HydrophobicContact CD2-CD1 3.98Å; Y151-I195 HydrophobicContact CD2-CG1 4.31Å; Y151-I195 HydrophobicContact CD2-CG2 3.59Å; Y151-I195 HydrophobicContact CE1-CG1 4.24Å; Y151-I195 HydrophobicContact CE2-CG1 4.47Å; Y151-I195 HydrophobicContact CE2-CG2 3.41Å; Y151-I195 VanDerWaalsContact CE2-CG2 3.41Å; Y151-I195 HydrophobicContact CG-CD1 3.6Å; Y151-I195 HydrophobicContact CG-CG1 4.11Å; Y151-I195 HydrophobicContact CG-CG2 4.24Å; Y151-R199 HydrophobicContact CE2-CG 4.08Å; Y151-R199 PolarHBondContact OH-NE 3.49Å
152	D	97	Very high	94.3	Very high	11 Å²	11	60.4 Å²	60.4	6%	0.059	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	115.2	174.2	176.7	-3.4	0	0	0	110.6	F150 G154 M155 Y171 V172 F174	F150-D152 HydrophobicContact CD1-CB 4.48Å; F150-D152 HydrophobicContact CE1-CB 4.07Å; D152-G154 WeakPolarHBondContact OD1-CA 3.35Å; D152-G154 PolarHBondContact OD1-N 3.03Å; D152-M155 HydrophobicContact CB-CG 4.2Å; D152-M155 VanDerWaalsContact CG-CG 3.43Å; D152-M155 WeakPolarHBondContact OD1-CB 3.17Å; D152-M155 VanDerWaalsContact OD1-CG 3.27Å; D152-M155 WeakPolarHBondContact OD1-CG 2.95Å; D152-M155 PolarHBondContact OD1-N 2.96Å; D152-M155 WeakPolarHBondContact OD2-CB 3.46Å; D152-Y171 HydrophobicContact CB-CD2 4.44Å; D152-Y171 HydrophobicContact CB-CE2 3.53Å; D152-Y171 WeakPolarHBondContact OD2-CE2 3.33Å; D152-Y171 VanDerWaalsContact OD2-CZ 3.31Å; D152-Y171 PolarHBondContact OD2-OH 2.99Å; D152-V172 PolarHBondContact N-O 3.19Å; D152-F174 VanDerWaalsContact O-CB 3.26Å; D152-F174 WeakPolarHBondContact O-CB 3.27Å; D152-F174 PolarHBondContact O-N 3.42Å
153	L	97	Very high	94.9	Very high	11 Å²	11	56.1 Å²	56.1	6%	0.058	29%	0.289	C	S	.	.	S	Bend	trans	-99.2	2.1	177.7	-55.7	175.8	0	0	0	113.4	A123 A124 D125 Y151 F174 F176 L186 W191	A123-L153 HydrophobicContact CB-CD1 3.96Å; A123-L153 HydrophobicContact CB-CG 4.19Å; A124-L153 WeakPolarHBondContact O-CB 3.46Å; A124-L153 PolarHBondContact O-N 2.97Å; D125-L153 HydrophobicContact CB-CB 4.25Å; Y151-L153 PolarHBondContact O-N 2.86Å; L153-F174 HydrophobicContact CD2-CB 3.91Å; L153-F174 HydrophobicContact CD2-CD2 4.3Å; L153-F174 HydrophobicContact CD2-CG 4Å; L153-F176 HydrophobicContact CB-CZ 4.17Å; L153-F176 HydrophobicContact CD2-CZ 4.07Å; L153-F176 WeakPolarHBondContact O-CE2 3.12Å; L153-F176 WeakPolarHBondContact O-CZ 3Å; L153-L186 HydrophobicContact CB-CD1 3.92Å; L153-L186 HydrophobicContact CB-CD2 4.1Å; L153-L186 HydrophobicContact CD1-CD2 4.48Å; L153-W191 HydrophobicContact CD1-CD2 3.72Å; L153-W191 VanDerWaalsContact CD1-CE2 3.45Å; L153-W191 HydrophobicContact CD1-CE3 4.11Å; L153-W191 HydrophobicContact CD1-CG 4.22Å; L153-W191 HydrophobicContact CD1-CH2 3.98Å; L153-W191 HydrophobicContact CD1-CZ2 3.6Å; L153-W191 HydrophobicContact CD1-CZ3 4.22Å; L153-W191 HydrophobicContact CD2-CB 4.22Å; L153-W191 HydrophobicContact CD2-CD2 4.1Å; L153-W191 HydrophobicContact CD2-CE3 4.36Å; L153-W191 HydrophobicContact CD2-CG 4.04Å
154	G	96.3	Very high	95.4	Very high	44 Å²	44	59.7 Å²	59.7	45%	0.454	30%	0.304	S	S	.	.	S	Bend	trans	144.7	55.3	-176.3	0	0	0	0	0	113.8	S126 D152	S126-G154 WeakPolarHBondContact CB-O 3.43Å; S126-G154 PolarHBondContact N-O 3.24Å; S126-G154 VanDerWaalsContact N-O 3.09Å; D152-G154 WeakPolarHBondContact OD1-CA 3.35Å; D152-G154 PolarHBondContact OD1-N 3.03Å
155	M	97.2	Very high	95.8	Very high	25 Å²	25	60.4 Å²	60.4	12%	0.123	31%	0.311	C	S	.	.			trans	-81.4	150.2	173.7	-63.8	-71.6	137.5	0	0	111.8	A124 D125 F129 F150 D152 E159 V160 L163	A124-M155 HydrophobicContact CB-CE 3.8Å; A124-M155 WeakPolarHBondContact O-CE 3.47Å; D125-M155 VanDerWaalsContact O-CE 3.26Å; D125-M155 WeakPolarHBondContact O-CE 3.48Å; F129-M155 HydrophobicContact CD2-SD 3.87Å; F150-M155 HydrophobicContact CE1-CE 4.13Å; F150-M155 HydrophobicContact CE1-CG 4.24Å; F150-M155 HydrophobicContact CZ-CE 3.59Å; F150-M155 HydrophobicContact CZ-SD 4.29Å; D152-M155 HydrophobicContact CB-CG 4.2Å; D152-M155 VanDerWaalsContact CG-CG 3.43Å; D152-M155 WeakPolarHBondContact OD1-CB 3.17Å; D152-M155 VanDerWaalsContact OD1-CG 3.27Å; D152-M155 WeakPolarHBondContact OD1-CG 2.95Å; D152-M155 PolarHBondContact OD1-N 2.96Å; D152-M155 WeakPolarHBondContact OD2-CB 3.46Å; M155-E159 HydrophobicContact CB-CB 4.21Å; M155-E159 HydrophobicContact SD-CB 3.99Å; M155-V160 HydrophobicContact CB-CG2 3.58Å; M155-V160 HydrophobicContact CG-CG2 4.46Å; M155-L163 HydrophobicContact CG-CD1 3.93Å; M155-L163 HydrophobicContact SD-CD1 3.92Å
156	T	97.9	Very high	96.1	Very high	66 Å²	66	55.6 Å²	55.6	41%	0.405	28%	0.283	S	S	.	.			trans	-73.4	159.5	166.5	68.6	0	0	0	0	111	H158 E159 V160	T156-H158 PolarHBondContact O-N 2.03Å; T156-E159 WeakPolarHBondContact CB-OE2 2.82Å; T156-E159 WeakPolarHBondContact CG2-OE2 3.21Å; T156-E159 PolarHBondContact N-OE2 3.29Å; T156-E159 PolarHBondContact O-N 3.45Å; T156-E159 WeakPolarHBondContact OG1-CG 3.12Å; T156-E159 PolarHBondContact OG1-N 2.76Å; T156-E159 PolarHBondContact OG1-OE2 2.94Å; T156-V160 WeakPolarHBondContact O-CG2 2.82Å; T156-V160 PolarHBondContact O-N 3.26Å
157	K	97.7	Very high	96.4	Very high	195 Å²	195	57.3 Å²	57.3	85%	0.848	30%	0.302	S	S	*	.	H	α-helix	trans	-57.3	-33.6	178.6	-66.5	-178.1	-179.6	178	0	113.2	K161	K157-K161 PolarHBondContact O-N 3.18Å
158	H	97.9	Very high	96.6	Very high	137 Å²	137	57.9 Å²	57.9	63%	0.634	30%	0.302	S	S	*	.	H	α-helix	trans	-68.9	-47.6	178.5	-177.4	65.4	0	0	0	111.2	T156 V160 K161 E162	T156-H158 PolarHBondContact O-N 2.03Å; H158-V160 VanDerWaalsContact C-N 3.35Å; H158-V160 PolarHBondContact O-N 2.77Å; H158-K161 WeakPolarHBondContact O-CB 3.31Å; H158-K161 PolarHBondContact O-N 3.27Å; H158-K161 VanDerWaalsContact O-N 3.14Å; H158-E162 PolarHBondContact O-N 3.29Å
159	E	98.2	Very high	96.7	Very high	19 Å²	19	58.9 Å²	58.9	9%	0.089	31%	0.307	C	S	.	.	H	α-helix	trans	-63.4	-39.5	178.1	-64.8	164.2	149.6	0	0	111.8	S126 F129 M155 T156 K161 E162 L163	S126-E159 VanDerWaalsContact CB-OE2 3.24Å; S126-E159 WeakPolarHBondContact CB-OE2 3.33Å; S126-E159 VanDerWaalsContact OG-CD 3.26Å; S126-E159 PolarHBondContact OG-OE1 3.35Å; S126-E159 PolarHBondContact OG-OE2 3.03Å; F129-E159 HydrophobicContact CB-CG 4.45Å; F129-E159 WeakPolarHBondContact CB-OE1 3.25Å; F129-E159 HydrophobicContact CD1-CB 4.36Å; F129-E159 HydrophobicContact CD1-CG 3.6Å; F129-E159 HydrophobicContact CD2-CB 4Å; F129-E159 HydrophobicContact CD2-CG 4.04Å; F129-E159 HydrophobicContact CE1-CB 4.18Å; F129-E159 HydrophobicContact CE1-CG 3.7Å; F129-E159 HydrophobicContact CE2-CB 3.86Å; F129-E159 HydrophobicContact CE2-CG 4.17Å; F129-E159 HydrophobicContact CG-CB 4.25Å; F129-E159 HydrophobicContact CG-CG 3.76Å; F129-E159 HydrophobicContact CZ-CB 3.93Å; F129-E159 HydrophobicContact CZ-CG 3.99Å; M155-E159 HydrophobicContact CB-CB 4.21Å; M155-E159 HydrophobicContact SD-CB 3.99Å; T156-E159 WeakPolarHBondContact CB-OE2 2.82Å; T156-E159 WeakPolarHBondContact CG2-OE2 3.21Å; T156-E159 PolarHBondContact N-OE2 3.29Å; T156-E159 PolarHBondContact O-N 3.45Å; T156-E159 WeakPolarHBondContact OG1-CG 3.12Å; T156-E159 PolarHBondContact OG1-N 2.76Å; T156-E159 PolarHBondContact OG1-OE2 2.94Å; E159-K161 VanDerWaalsContact C-N 3.3Å; E159-K161 PolarHBondContact O-N 3.4Å; E159-E162 PolarHBondContact O-N 2.76Å; E159-L163 WeakPolarHBondContact O-CG 3.34Å; E159-L163 PolarHBondContact O-N 3.45Å
160	V	98.3	Very high	96.8	Very high	22 Å²	22	62.3 Å²	62.3	13%	0.133	32%	0.323	C	S	.	.	H	α-helix	trans	-60.3	-41.5	174.2	174.8	0	0	0	0	111.4	M155 T156 H158 E162 L163 K164 Y171	M155-V160 HydrophobicContact CB-CG2 3.58Å; M155-V160 HydrophobicContact CG-CG2 4.46Å; T156-V160 WeakPolarHBondContact O-CG2 2.82Å; T156-V160 PolarHBondContact O-N 3.26Å; H158-V160 VanDerWaalsContact C-N 3.35Å; H158-V160 PolarHBondContact O-N 2.77Å; V160-E162 VanDerWaalsContact C-N 3.33Å; V160-L163 PolarHBondContact O-N 3.11Å; V160-K164 HydrophobicContact CG1-CD 4.03Å; V160-K164 HydrophobicContact CG1-CG 4.44Å; V160-K164 WeakPolarHBondContact O-CB 3.12Å; V160-K164 WeakPolarHBondContact O-CG 3.44Å; V160-K164 PolarHBondContact O-N 3.37Å; V160-Y171 HydrophobicContact CB-CE2 4.34Å; V160-Y171 HydrophobicContact CG1-CE1 4.16Å; V160-Y171 HydrophobicContact CG1-CE2 3.89Å; V160-Y171 HydrophobicContact CG2-CE2 3.91Å; V160-Y171 WeakPolarHBondContact CG2-OH 3.41Å
161	K	98	Very high	96.8	Very high	165 Å²	165	64.8 Å²	64.8	72%	0.717	33%	0.333	S	S	*	.	H	α-helix	trans	-63.9	-41.2	177.3	-174.7	-178.9	177.5	-176.9	0	111	K157 H158 E159 S165	K157-K161 PolarHBondContact O-N 3.18Å; H158-K161 WeakPolarHBondContact O-CB 3.31Å; H158-K161 PolarHBondContact O-N 3.27Å; H158-K161 VanDerWaalsContact O-N 3.14Å; E159-K161 VanDerWaalsContact C-N 3.3Å; E159-K161 PolarHBondContact O-N 3.4Å; K161-S165 PolarHBondContact O-N 2.86Å
162	E	97.9	Very high	96.8	Very high	55 Å²	55	65.8 Å²	65.8	26%	0.257	34%	0.34	S	S	.	.	H	α-helix	trans	-65.6	-49.4	176.1	-170.7	179.9	161.6	0	0	111.4	F129 K133 H158 E159 V160 K164 S165 F166	F129-E162 VanDerWaalsContact CE1-OE2 3.22Å; F129-E162 WeakPolarHBondContact CE1-OE2 3.38Å; F129-E162 HydrophobicContact CZ-CB 4.11Å; F129-E162 HydrophobicContact CZ-CG 4.16Å; F129-E162 VanDerWaalsContact CZ-OE2 3.26Å; F129-E162 WeakPolarHBondContact CZ-OE2 2.92Å; K133-E162 WeakPolarHBondContact CD-OE1 3.47Å; K133-E162 IonicContact NZ-OE1 2.7Å; K133-E162 PolarHBondContact NZ-OE1 3.24Å; K133-E162 IonicContact NZ-OE2 3.53Å; H158-E162 PolarHBondContact O-N 3.29Å; E159-E162 PolarHBondContact O-N 2.76Å; V160-E162 VanDerWaalsContact C-N 3.33Å; E162-K164 VanDerWaalsContact C-N 3.33Å; E162-K164 PolarHBondContact O-N 3.26Å; E162-S165 WeakPolarHBondContact O-CB 3.12Å; E162-S165 PolarHBondContact O-N 3.17Å; E162-S165 PolarHBondContact O-OG 2.92Å; E162-F166 HydrophobicContact CG-CE1 3.83Å; E162-F166 HydrophobicContact CG-CZ 4.02Å; E162-F166 WeakPolarHBondContact O-CD1 3.28Å
163	L	97.4	Very high	96.8	Very high	0 Å²	0	72.7 Å²	72.7	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-56.9	-45.7	178.6	-73.5	163.7	0	0	0	112.2	F129 I136 F150 M155 E159 V160 S165 F166 L169 Y171	F129-L163 HydrophobicContact CE2-CD1 4.15Å; F129-L163 HydrophobicContact CE2-CD2 4Å; F129-L163 HydrophobicContact CE2-CG 3.81Å; I136-L163 HydrophobicContact CD1-CD2 4.03Å; F150-L163 HydrophobicContact CD1-CD1 3.96Å; F150-L163 HydrophobicContact CD2-CD2 4.37Å; F150-L163 HydrophobicContact CE1-CD1 3.41Å; F150-L163 VanDerWaalsContact CE1-CD1 3.41Å; F150-L163 HydrophobicContact CE1-CD2 4.41Å; F150-L163 HydrophobicContact CE2-CD2 4.22Å; F150-L163 HydrophobicContact CG-CD2 4.5Å; F150-L163 HydrophobicContact CZ-CD1 3.71Å; F150-L163 HydrophobicContact CZ-CD2 4.22Å; M155-L163 HydrophobicContact CG-CD1 3.93Å; M155-L163 HydrophobicContact SD-CD1 3.92Å; E159-L163 WeakPolarHBondContact O-CG 3.34Å; E159-L163 PolarHBondContact O-N 3.45Å; V160-L163 PolarHBondContact O-N 3.11Å; L163-S165 PolarHBondContact O-N 3.33Å; L163-S165 VanDerWaalsContact O-N 3.11Å; L163-F166 HydrophobicContact CD2-CD2 4.34Å; L163-F166 HydrophobicContact CD2-CE2 4.13Å; L163-F166 WeakPolarHBondContact O-CB 3.02Å; L163-F166 PolarHBondContact O-N 3.19Å; L163-L169 HydrophobicContact CB-CD2 4.06Å; L163-L169 HydrophobicContact CD2-CD2 3.98Å; L163-L169 WeakPolarHBondContact O-CD2 3.44Å; L163-Y171 HydrophobicContact CB-CD2 4.33Å; L163-Y171 HydrophobicContact CD1-CD2 4.33Å; L163-Y171 HydrophobicContact CD1-CE2 4.43Å
164	K	97.2	Very high	96.8	Very high	135 Å²	135	72.3 Å²	72.3	59%	0.587	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-13.2	178.5	-73	-179.1	176	-174.1	0	113.9	V160 E162 Y171	V160-K164 HydrophobicContact CG1-CD 4.03Å; V160-K164 HydrophobicContact CG1-CG 4.44Å; V160-K164 WeakPolarHBondContact O-CB 3.12Å; V160-K164 WeakPolarHBondContact O-CG 3.44Å; V160-K164 PolarHBondContact O-N 3.37Å; E162-K164 VanDerWaalsContact C-N 3.33Å; E162-K164 PolarHBondContact O-N 3.26Å; K164-Y171 HydrophobicContact CG-CD1 4.4Å; K164-Y171 HydrophobicContact CG-CG 4.11Å
165	S	96.8	Very high	96.7	Very high	86 Å²	86	72.4 Å²	72.4	60%	0.601	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-10.3	174.4	77	0	0	0	0	113.6	K161 E162 L163	K161-S165 PolarHBondContact O-N 2.86Å; E162-S165 WeakPolarHBondContact O-CB 3.12Å; E162-S165 PolarHBondContact O-N 3.17Å; E162-S165 PolarHBondContact O-OG 2.92Å; L163-S165 PolarHBondContact O-N 3.33Å; L163-S165 VanDerWaalsContact O-N 3.11Å
166	F	96	Very high	96.6	Very high	48 Å²	48	71.9 Å²	71.9	21%	0.211	35%	0.353	C	S	.	.	S	Bend	trans	-77.3	136.8	-177.9	-66.2	-4.3	0	0	0	111.7	K133 I136 E162 L163 L169	K133-F166 HydrophobicContact CD-CE2 4.28Å; K133-F166 HydrophobicContact CD-CZ 3.78Å; K133-F166 HydrophobicContact CG-CE2 3.97Å; K133-F166 HydrophobicContact CG-CZ 4Å; I136-F166 HydrophobicContact CD1-CD2 4.36Å; I136-F166 HydrophobicContact CD1-CE2 4.42Å; I136-F166 HydrophobicContact CG2-CD2 3.99Å; E162-F166 HydrophobicContact CG-CE1 3.83Å; E162-F166 HydrophobicContact CG-CZ 4.02Å; E162-F166 WeakPolarHBondContact O-CD1 3.28Å; L163-F166 HydrophobicContact CD2-CD2 4.34Å; L163-F166 HydrophobicContact CD2-CE2 4.13Å; L163-F166 WeakPolarHBondContact O-CB 3.02Å; L163-F166 PolarHBondContact O-N 3.19Å; F166-L169 HydrophobicContact CB-CB 4Å; F166-L169 HydrophobicContact CB-CD2 4.1Å; F166-L169 HydrophobicContact CD2-CD2 4.1Å; F166-L169 HydrophobicContact CG-CD2 4.5Å
167	C	94	Very high	96.4	Very high	94 Å²	94	73.7 Å²	73.7	64%	0.635	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	143.6	175.6	-59.9	0	0	0	0	111.4	Q140 L169	Q140-C167 PolarHBondContact NE2-O 3.5Å; C167-L169 PolarHBondContact O-N 2.81Å
168	N	93.5	Very high	96.3	Very high	82 Å²	82	70.4 Å²	70.4	44%	0.439	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.7	23.9	174.8	-52.5	-31.5	0	0	0	114.4	P144 T147 I148	P144-N168 PolarHBondContact O-ND2 2.73Å; T147-N168 WeakPolarHBondContact CA-O 3.16Å; I148-N168 PolarHBondContact N-O 3.31Å
169	L	95.9	Very high	96	Very high	25 Å²	25	66.8 Å²	66.8	13%	0.131	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	118	177.5	-166.7	80.1	0	0	0	110.9	I136 I148 F150 L163 F166 C167	I136-L169 HydrophobicContact CD1-CD1 3.95Å; I136-L169 HydrophobicContact CD1-CD2 4.42Å; I136-L169 HydrophobicContact CG1-CD1 4.18Å; I136-L169 HydrophobicContact CG2-CD1 4.18Å; I148-L169 HydrophobicContact CB-CD1 3.72Å; I148-L169 HydrophobicContact CG2-CD1 3.6Å; I148-L169 CarbonylContact O-C 3.5Å; I148-L169 WeakPolarHBondContact O-CA 3.36Å; F150-L169 HydrophobicContact CB-CD1 3.91Å; F150-L169 HydrophobicContact CB-CD2 4.23Å; F150-L169 HydrophobicContact CB-CG 4.14Å; L163-L169 HydrophobicContact CB-CD2 4.06Å; L163-L169 HydrophobicContact CD2-CD2 3.98Å; L163-L169 WeakPolarHBondContact O-CD2 3.44Å; F166-L169 HydrophobicContact CB-CB 4Å; F166-L169 HydrophobicContact CB-CD2 4.1Å; F166-L169 HydrophobicContact CD2-CD2 4.1Å; F166-L169 HydrophobicContact CG-CD2 4.5Å; C167-L169 PolarHBondContact O-N 2.81Å
170	E	95.8	Very high	95.9	Very high	77 Å²	77	69 Å²	69	36%	0.36	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	105.1	167.5	-173.4	-165.5	138.4	0	0	109.2	T147 I148 I149 F150 V172 R199	T147-E170 HydrophobicContact CG2-CB 4.27Å; I148-E170 PolarHBondContact O-N 3.13Å; I149-E170 HydrophobicContact CG1-CB 4.38Å; F150-E170 PolarHBondContact N-O 3.2Å; E170-V172 HydrophobicContact CG-CG2 4.01Å; E170-V172 VanDerWaalsContact OE1-CG2 3.25Å; E170-V172 WeakPolarHBondContact OE1-CG2 3.23Å; E170-R199 IonicContact OE1-CZ 3.45Å; E170-R199 IonicContact OE1-NH1 2.75Å; E170-R199 PolarHBondContact OE1-NH1 2.81Å; E170-R199 IonicContact OE1-NH2 3.36Å; E170-R199 PolarHBondContact OE1-NH2 3.1Å; E170-R199 IonicContact OE2-NH1 3.87Å; E170-R199 PolarHBondContact OE2-NH1 3.29Å
171	Y	97.4	Very high	95.6	Very high	51 Å²	51	70.6 Å²	70.6	20%	0.2	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	126.2	173.7	170.1	-84.8	0	0	0	111.1	F150 D152 V160 L163 K164	F150-Y171 HydrophobicContact CD1-CD2 4.08Å; D152-Y171 HydrophobicContact CB-CD2 4.44Å; D152-Y171 HydrophobicContact CB-CE2 3.53Å; D152-Y171 WeakPolarHBondContact OD2-CE2 3.33Å; D152-Y171 VanDerWaalsContact OD2-CZ 3.31Å; D152-Y171 PolarHBondContact OD2-OH 2.99Å; V160-Y171 HydrophobicContact CB-CE2 4.34Å; V160-Y171 HydrophobicContact CG1-CE1 4.16Å; V160-Y171 HydrophobicContact CG1-CE2 3.89Å; V160-Y171 HydrophobicContact CG2-CE2 3.91Å; V160-Y171 WeakPolarHBondContact CG2-OH 3.41Å; L163-Y171 HydrophobicContact CB-CD2 4.33Å; L163-Y171 HydrophobicContact CD1-CD2 4.33Å; L163-Y171 HydrophobicContact CD1-CE2 4.43Å; K164-Y171 HydrophobicContact CG-CD1 4.4Å; K164-Y171 HydrophobicContact CG-CG 4.11Å
172	V	96.4	Very high	95.3	Very high	33 Å²	33	68.2 Å²	68.2	20%	0.2	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	123.8	177.5	179.9	0	0	0	0	110.9	I149 F150 Y151 D152 E170 R199	I149-V172 HydrophobicContact CG2-CG2 4.43Å; F150-V172 PolarHBondContact O-N 3.28Å; Y151-V172 CarbonylContact C-O 3.57Å; Y151-V172 VanDerWaalsContact CA-O 3.29Å; Y151-V172 WeakPolarHBondContact CA-O 3.43Å; Y151-V172 HydrophobicContact CD1-CB 4.22Å; Y151-V172 HydrophobicContact CD1-CG1 3.9Å; Y151-V172 HydrophobicContact CE1-CB 4.19Å; Y151-V172 HydrophobicContact CE1-CG1 3.53Å; D152-V172 PolarHBondContact N-O 3.19Å; E170-V172 HydrophobicContact CG-CG2 4.01Å; E170-V172 VanDerWaalsContact OE1-CG2 3.25Å; E170-V172 WeakPolarHBondContact OE1-CG2 3.23Å; V172-R199 VanDerWaalsContact CG2-NH2 3.26Å
173	R	96.4	Very high	95	Very high	156 Å²	156	66.8 Å²	66.8	59%	0.589	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.7	129.1	171.3	178.9	175	169.9	149.3	-5	110	E177	R173-E177 IonicContact CZ-OE1 3.99Å; R173-E177 IonicContact NH2-OE1 2.95Å; R173-E177 PolarHBondContact NH2-OE1 2.86Å
174	F	95.9	Very high	94.8	Very high	4 Å²	4	73.1 Å²	73.1	2%	0.018	37%	0.372	C	S	.	.			trans	-69.3	126.2	171.8	-170.1	-93.4	0	0	0	109.8	Y151 D152 L153 F176 F179 F183 W191 V194 I195	Y151-F174 HydrophobicContact CD1-CB 4.41Å; Y151-F174 HydrophobicContact CD1-CD2 4.08Å; Y151-F174 HydrophobicContact CE1-CD2 4.5Å; D152-F174 VanDerWaalsContact O-CB 3.26Å; D152-F174 WeakPolarHBondContact O-CB 3.27Å; D152-F174 PolarHBondContact O-N 3.42Å; L153-F174 HydrophobicContact CD2-CB 3.91Å; L153-F174 HydrophobicContact CD2-CD2 4.3Å; L153-F174 HydrophobicContact CD2-CG 4Å; F174-F176 HydrophobicContact CB-CD2 4.34Å; F174-F176 HydrophobicContact CB-CE2 3.96Å; F174-F176 HydrophobicContact CB-CZ 4.34Å; F174-F176 AromaticContact CD1-CD1 3.67Å; F174-F176 HydrophobicContact CD1-CD1 3.67Å; F174-F176 AromaticContact CD1-CD2 3.87Å; F174-F176 HydrophobicContact CD1-CD2 3.87Å; F174-F176 AromaticContact CD1-CE1 3.61Å; F174-F176 HydrophobicContact CD1-CE1 3.61Å; F174-F176 AromaticContact CD1-CE2 3.82Å; F174-F176 HydrophobicContact CD1-CE2 3.82Å; F174-F176 AromaticContact CD1-CG 3.79Å; F174-F176 HydrophobicContact CD1-CG 3.79Å; F174-F176 AromaticContact CD1-CZ 3.68Å; F174-F176 HydrophobicContact CD1-CZ 3.68Å; F174-F176 AromaticContact CE1-CD1 3.92Å; F174-F176 HydrophobicContact CE1-CD1 3.92Å; F174-F176 AromaticContact CE1-CE1 3.96Å; F174-F176 HydrophobicContact CE1-CE1 3.96Å; F174-F176 HydrophobicContact CE1-CG 4.38Å; F174-F176 HydrophobicContact CE1-CZ 4.45Å; F174-F176 HydrophobicContact CG-CE2 4.33Å; F174-F176 HydrophobicContact CG-CZ 4.32Å; F174-F176 WeakPolarHBondContact O-CD2 3.34Å; F174-F176 PolarHBondContact O-N 2.98Å; F174-F179 AromaticContact CE1-CD2 3.96Å; F174-F179 HydrophobicContact CE1-CD2 3.96Å; F174-F179 HydrophobicContact CE1-CE2 4.1Å; F174-F179 HydrophobicContact CZ-CD2 4.17Å; F174-F179 AromaticContact CZ-CE2 3.91Å; F174-F179 HydrophobicContact CZ-CE2 3.91Å; F174-F183 HydrophobicContact CE1-CD1 4.32Å; F174-F183 HydrophobicContact CZ-CD1 4.33Å; F174-W191 HydrophobicContact CE1-CB 4.36Å; F174-W191 HydrophobicContact CE2-CB 4.04Å; F174-W191 HydrophobicContact CZ-CB 3.92Å; F174-V194 HydrophobicContact CE2-CG1 4.1Å; F174-V194 HydrophobicContact CZ-CB 4.44Å; F174-V194 HydrophobicContact CZ-CG1 4.07Å; F174-I195 HydrophobicContact CD2-CD1 3.97Å; F174-I195 HydrophobicContact CD2-CG1 3.78Å; F174-I195 HydrophobicContact CE2-CD1 4.21Å; F174-I195 HydrophobicContact CE2-CG1 3.64Å
175	P	94.5	Very high	94.5	Very high	46 Å²	46	71.4 Å²	71.4	30%	0.299	37%	0.366	S	S	.	.			trans	-82	69.7	-172.9	34	-35.2	0	0	0	110.5	E177 D178 F179	P175-E177 PolarHBondContact O-N 3.2Å; P175-D178 WeakPolarHBondContact CB-OD2 3.48Å; P175-D178 PolarHBondContact O-N 3.45Å; P175-F179 HydrophobicContact CG-CE2 4.26Å; P175-F179 VanDerWaalsContact O-CD2 3.29Å; P175-F179 WeakPolarHBondContact O-CD2 3.47Å
176	F	95.2	Very high	94.3	Very high	13 Å²	13	69 Å²	69	6%	0.057	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-56.6	-23.9	179.5	-73.5	-76.1	0	0	0	113.4	L153 F174 D178 F179 F183 R184 L186	L153-F176 HydrophobicContact CB-CZ 4.17Å; L153-F176 HydrophobicContact CD2-CZ 4.07Å; L153-F176 WeakPolarHBondContact O-CE2 3.12Å; L153-F176 WeakPolarHBondContact O-CZ 3Å; F174-F176 HydrophobicContact CB-CD2 4.34Å; F174-F176 HydrophobicContact CB-CE2 3.96Å; F174-F176 HydrophobicContact CB-CZ 4.34Å; F174-F176 AromaticContact CD1-CD1 3.67Å; F174-F176 HydrophobicContact CD1-CD1 3.67Å; F174-F176 AromaticContact CD1-CD2 3.87Å; F174-F176 HydrophobicContact CD1-CD2 3.87Å; F174-F176 AromaticContact CD1-CE1 3.61Å; F174-F176 HydrophobicContact CD1-CE1 3.61Å; F174-F176 AromaticContact CD1-CE2 3.82Å; F174-F176 HydrophobicContact CD1-CE2 3.82Å; F174-F176 AromaticContact CD1-CG 3.79Å; F174-F176 HydrophobicContact CD1-CG 3.79Å; F174-F176 AromaticContact CD1-CZ 3.68Å; F174-F176 HydrophobicContact CD1-CZ 3.68Å; F174-F176 AromaticContact CE1-CD1 3.92Å; F174-F176 HydrophobicContact CE1-CD1 3.92Å; F174-F176 AromaticContact CE1-CE1 3.96Å; F174-F176 HydrophobicContact CE1-CE1 3.96Å; F174-F176 HydrophobicContact CE1-CG 4.38Å; F174-F176 HydrophobicContact CE1-CZ 4.45Å; F174-F176 HydrophobicContact CG-CE2 4.33Å; F174-F176 HydrophobicContact CG-CZ 4.32Å; F174-F176 WeakPolarHBondContact O-CD2 3.34Å; F174-F176 PolarHBondContact O-N 2.98Å; F176-D178 PolarHBondContact O-N 3Å; F176-F179 PolarHBondContact O-N 3.34Å; F176-F179 VanDerWaalsContact O-O 3.13Å; F176-F183 HydrophobicContact CD1-CB 4.32Å; F176-R184 HydrophobicContact CB-CG 4.33Å; F176-R184 VanDerWaalsContact CB-CZ 3.44Å; F176-R184 HydrophobicContact CD1-CG 3.79Å; F176-R184 HydrophobicContact CE1-CG 4.4Å; F176-R184 HydrophobicContact CG-CG 4.18Å; F176-L186 HydrophobicContact CE1-CD2 3.93Å; F176-L186 HydrophobicContact CZ-CD2 3.78Å
177	E	95	Very high	93.9	Very high	104 Å²	104	72.1 Å²	72.1	49%	0.486	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-65.6	-24.3	178.9	-60.6	72.7	-154.8	0	0	112.5	R173 P175 F179 R184	R173-E177 IonicContact CZ-OE1 3.99Å; R173-E177 IonicContact NH2-OE1 2.95Å; R173-E177 PolarHBondContact NH2-OE1 2.86Å; P175-E177 PolarHBondContact O-N 3.2Å; E177-F179 VanDerWaalsContact C-N 3.31Å; E177-R184 IonicContact OE1-NH2 3.28Å; E177-R184 PolarHBondContact OE1-NH2 2.68Å
178	D	94.3	Very high	93.7	Very high	127 Å²	127	71.8 Å²	71.8	68%	0.679	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-85.2	-4.7	179	-62.9	-19	0	0	0	113	P175 F176	P175-D178 WeakPolarHBondContact CB-OD2 3.48Å; P175-D178 PolarHBondContact O-N 3.45Å; F176-D178 PolarHBondContact O-N 3Å
179	F	92.8	Very high	93.4	Very high	61 Å²	61	72 Å²	72	27%	0.268	35%	0.354	S	S	.	.	S	Bend	trans	-122.8	154.4	-175.2	-62.6	-82.2	0	0	0	111.9	F174 P175 F176 E177 F183 V194	F174-F179 AromaticContact CE1-CD2 3.96Å; F174-F179 HydrophobicContact CE1-CD2 3.96Å; F174-F179 HydrophobicContact CE1-CE2 4.1Å; F174-F179 HydrophobicContact CZ-CD2 4.17Å; F174-F179 AromaticContact CZ-CE2 3.91Å; F174-F179 HydrophobicContact CZ-CE2 3.91Å; P175-F179 HydrophobicContact CG-CE2 4.26Å; P175-F179 VanDerWaalsContact O-CD2 3.29Å; P175-F179 WeakPolarHBondContact O-CD2 3.47Å; F176-F179 PolarHBondContact O-N 3.34Å; F176-F179 VanDerWaalsContact O-O 3.13Å; E177-F179 VanDerWaalsContact C-N 3.31Å; F179-F183 HydrophobicContact CB-CB 3.87Å; F179-F183 HydrophobicContact CB-CD1 4.13Å; F179-F183 HydrophobicContact CB-CD2 3.59Å; F179-F183 HydrophobicContact CB-CE2 4.1Å; F179-F183 HydrophobicContact CB-CG 3.58Å; F179-F183 HydrophobicContact CD1-CD1 4.23Å; F179-F183 HydrophobicContact CD1-CD2 4.22Å; F179-F183 AromaticContact CD1-CE1 3.93Å; F179-F183 HydrophobicContact CD1-CE1 3.93Å; F179-F183 AromaticContact CD1-CE2 3.87Å; F179-F183 HydrophobicContact CD1-CE2 3.87Å; F179-F183 HydrophobicContact CD1-CG 4.37Å; F179-F183 AromaticContact CD1-CZ 3.72Å; F179-F183 HydrophobicContact CD1-CZ 3.72Å; F179-F183 HydrophobicContact CE1-CE1 4.36Å; F179-F183 HydrophobicContact CE1-CZ 4.29Å; F179-F183 HydrophobicContact CG-CD1 4.05Å; F179-F183 HydrophobicContact CG-CD2 4.16Å; F179-F183 HydrophobicContact CG-CE1 4.21Å; F179-F183 HydrophobicContact CG-CE2 4.29Å; F179-F183 HydrophobicContact CG-CG 4.02Å; F179-F183 HydrophobicContact CG-CZ 4.32Å; F179-V194 HydrophobicContact CE1-CG1 4.03Å; F179-V194 HydrophobicContact CE1-CG2 4.2Å; F179-V194 HydrophobicContact CE2-CG1 4.22Å; F179-V194 HydrophobicContact CZ-CG1 3.5Å; F179-V194 VanDerWaalsContact CZ-CG1 3.5Å; F179-V194 HydrophobicContact CZ-CG2 4.48Å
180	P	94.2	Very high	93.1	Very high	65 Å²	65	74.8 Å²	74.8	42%	0.422	36%	0.363	S	S	.	.			trans	-56	147.6	172.2	-28.8	39	0	0	0	112.1	Y182 F183	P180-Y182 HydrophobicContact CB-CD1 3.58Å; P180-Y182 HydrophobicContact CB-CD2 4.46Å; P180-Y182 HydrophobicContact CB-CE1 3.15Å; P180-Y182 HydrophobicContact CB-CE2 4.11Å; P180-Y182 HydrophobicContact CB-CG 4.23Å; P180-Y182 VanDerWaalsContact CB-CZ 3.44Å; P180-Y182 HydrophobicContact CG-CE1 3.77Å; P180-Y182 HydrophobicContact CG-CE2 4.45Å; P180-Y182 WeakPolarHBondContact CG-OH 3.38Å; P180-Y182 PolarHBondContact O-N 3.15Å; P180-F183 WeakPolarHBondContact O-CB 3.25Å; P180-F183 PolarHBondContact O-N 3.15Å
181	G	92.8	Very high	92.8	Very high	56 Å²	56	71.9 Å²	71.9	58%	0.577	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-54.3	-23.5	-172.1	0	0	0	0	0	115.4	F183 R184	G181-F183 PolarHBondContact O-N 2.67Å; G181-F183 VanDerWaalsContact O-N 3.16Å; G181-R184 WeakPolarHBondContact O-CB 3.39Å; G181-R184 PolarHBondContact O-N 3.28Å; G181-R184 VanDerWaalsContact O-N 3.1Å
182	Y	92.2	Very high	92.5	Very high	115 Å²	115	71.2 Å²	71.2	45%	0.451	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-65.2	-11.6	174.5	60.2	-112.3	0	0	0	114.6	P180 R184 Q185 R190	P180-Y182 HydrophobicContact CB-CD1 3.58Å; P180-Y182 HydrophobicContact CB-CD2 4.46Å; P180-Y182 HydrophobicContact CB-CE1 3.15Å; P180-Y182 HydrophobicContact CB-CE2 4.11Å; P180-Y182 HydrophobicContact CB-CG 4.23Å; P180-Y182 VanDerWaalsContact CB-CZ 3.44Å; P180-Y182 HydrophobicContact CG-CE1 3.77Å; P180-Y182 HydrophobicContact CG-CE2 4.45Å; P180-Y182 WeakPolarHBondContact CG-OH 3.38Å; P180-Y182 PolarHBondContact O-N 3.15Å; Y182-R184 VanDerWaalsContact C-N 3.25Å; Y182-R184 PolarHBondContact O-N 2.9Å; Y182-Q185 WeakPolarHBondContact O-CB 3.32Å; Y182-Q185 PolarHBondContact O-N 3.08Å; Y182-R190 PolarHBondContact O-NH1 3.22Å
183	F	91.4	Very high	92	Very high	24 Å²	24	73.4 Å²	73.4	11%	0.105	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-68.8	-24.2	170.7	-94	-102.4	0	0	0	112.9	F174 F176 F179 P180 G181 Q185 R190 V194	F174-F183 HydrophobicContact CE1-CD1 4.32Å; F174-F183 HydrophobicContact CZ-CD1 4.33Å; F176-F183 HydrophobicContact CD1-CB 4.32Å; F179-F183 HydrophobicContact CB-CB 3.87Å; F179-F183 HydrophobicContact CB-CD1 4.13Å; F179-F183 HydrophobicContact CB-CD2 3.59Å; F179-F183 HydrophobicContact CB-CE2 4.1Å; F179-F183 HydrophobicContact CB-CG 3.58Å; F179-F183 HydrophobicContact CD1-CD1 4.23Å; F179-F183 HydrophobicContact CD1-CD2 4.22Å; F179-F183 AromaticContact CD1-CE1 3.93Å; F179-F183 HydrophobicContact CD1-CE1 3.93Å; F179-F183 AromaticContact CD1-CE2 3.87Å; F179-F183 HydrophobicContact CD1-CE2 3.87Å; F179-F183 HydrophobicContact CD1-CG 4.37Å; F179-F183 AromaticContact CD1-CZ 3.72Å; F179-F183 HydrophobicContact CD1-CZ 3.72Å; F179-F183 HydrophobicContact CE1-CE1 4.36Å; F179-F183 HydrophobicContact CE1-CZ 4.29Å; F179-F183 HydrophobicContact CG-CD1 4.05Å; F179-F183 HydrophobicContact CG-CD2 4.16Å; F179-F183 HydrophobicContact CG-CE1 4.21Å; F179-F183 HydrophobicContact CG-CE2 4.29Å; F179-F183 HydrophobicContact CG-CG 4.02Å; F179-F183 HydrophobicContact CG-CZ 4.32Å; P180-F183 WeakPolarHBondContact O-CB 3.25Å; P180-F183 PolarHBondContact O-N 3.15Å; G181-F183 PolarHBondContact O-N 2.67Å; G181-F183 VanDerWaalsContact O-N 3.16Å; F183-Q185 PolarHBondContact O-N 3.46Å; F183-R190 HydrophobicContact CD1-CB 4.13Å; F183-R190 HydrophobicContact CE1-CB 3.89Å; F183-R190 HydrophobicContact CZ-CB 4.24Å; F183-V194 HydrophobicContact CE1-CG2 3.67Å; F183-V194 HydrophobicContact CZ-CG2 4.01Å
184	R	92.3	Very high	91.7	Very high	133 Å²	133	67.5 Å²	67.5	50%	0.502	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-70.2	-10.3	174.8	-61.3	-175.7	-178.8	-81.7	0.1	112.7	F176 E177 G181 Y182 L186	F176-R184 HydrophobicContact CB-CG 4.33Å; F176-R184 VanDerWaalsContact CB-CZ 3.44Å; F176-R184 HydrophobicContact CD1-CG 3.79Å; F176-R184 HydrophobicContact CE1-CG 4.4Å; F176-R184 HydrophobicContact CG-CG 4.18Å; E177-R184 IonicContact OE1-NH2 3.28Å; E177-R184 PolarHBondContact OE1-NH2 2.68Å; G181-R184 WeakPolarHBondContact O-CB 3.39Å; G181-R184 PolarHBondContact O-N 3.28Å; G181-R184 VanDerWaalsContact O-N 3.1Å; Y182-R184 VanDerWaalsContact C-N 3.25Å; Y182-R184 PolarHBondContact O-N 2.9Å; R184-L186 VanDerWaalsContact C-N 3.34Å; R184-L186 PolarHBondContact O-N 3.47Å
185	Q	92.5	Very high	91.4	Very high	99 Å²	99	67.3 Å²	67.3	46%	0.463	34%	0.342	S	S	.	.			trans	-81	80.7	172.6	-58.2	-177.4	25.6	0	0	110.1	Y182 F183 T187 Q188	Y182-Q185 WeakPolarHBondContact O-CB 3.32Å; Y182-Q185 PolarHBondContact O-N 3.08Å; F183-Q185 PolarHBondContact O-N 3.46Å; Q185-T187 PolarHBondContact O-N 2.97Å; Q185-Q188 HydrophobicContact CB-CG 4.21Å; Q185-Q188 WeakPolarHBondContact O-CB 3.26Å; Q185-Q188 PolarHBondContact O-N 3.01Å; Q185-Q188 VanDerWaalsContact O-N 3.08Å
186	L	91.6	Very high	90.9	Very high	35 Å²	35	65.6 Å²	65.6	18%	0.183	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-62	-25.9	-170.5	-57.3	-176.1	0	0	0	114.3	D125 L153 F176 R184 Q188 Y189 W191	D125-L186 HydrophobicContact CB-CD1 3.55Å; L153-L186 HydrophobicContact CB-CD1 3.92Å; L153-L186 HydrophobicContact CB-CD2 4.1Å; L153-L186 HydrophobicContact CD1-CD2 4.48Å; F176-L186 HydrophobicContact CE1-CD2 3.93Å; F176-L186 HydrophobicContact CZ-CD2 3.78Å; R184-L186 VanDerWaalsContact C-N 3.34Å; R184-L186 PolarHBondContact O-N 3.47Å; L186-Q188 PolarHBondContact O-N 3.28Å; L186-Q188 VanDerWaalsContact O-N 3.16Å; L186-Y189 PolarHBondContact O-N 2.91Å; L186-W191 PolarHBondContact O-NE1 3.12Å
187	T	88.1	Confident	90.2	Very high	115 Å²	115	67.6 Å²	67.6	71%	0.706	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-61.5	-18.9	175.8	53.6	0	0	0	0	113.2	Q185 Y189	Q185-T187 PolarHBondContact O-N 2.97Å; T187-Y189 VanDerWaalsContact C-N 3.32Å; T187-Y189 VanDerWaalsContact O-CD2 3.22Å; T187-Y189 WeakPolarHBondContact O-CD2 3.35Å; T187-Y189 VanDerWaalsContact O-CE2 3.23Å; T187-Y189 WeakPolarHBondContact O-CE2 3.45Å
188	Q	88.5	Confident	89.6	Confident	87 Å²	87	66.7 Å²	66.7	41%	0.407	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-89.6	-0.8	178.2	-52.4	-153.1	34.7	0	0	112.9	Q185 L186 R190	Q185-Q188 HydrophobicContact CB-CG 4.21Å; Q185-Q188 WeakPolarHBondContact O-CB 3.26Å; Q185-Q188 PolarHBondContact O-N 3.01Å; Q185-Q188 VanDerWaalsContact O-N 3.08Å; L186-Q188 PolarHBondContact O-N 3.28Å; L186-Q188 VanDerWaalsContact O-N 3.16Å; Q188-R190 HydrophobicContact CB-CG 4.21Å; Q188-R190 PolarHBondContact O-N 2.79Å
189	Y	88.6	Confident	89.1	Confident	87 Å²	87	62.6 Å²	62.6	34%	0.341	33%	0.326	S	S	.	.			trans	52.6	17	174.5	-56.1	-71.9	0	0	0	115.9	L186 T187 W191 K192 P193	L186-Y189 PolarHBondContact O-N 2.91Å; T187-Y189 VanDerWaalsContact C-N 3.32Å; T187-Y189 VanDerWaalsContact O-CD2 3.22Å; T187-Y189 WeakPolarHBondContact O-CD2 3.35Å; T187-Y189 VanDerWaalsContact O-CE2 3.23Å; T187-Y189 WeakPolarHBondContact O-CE2 3.45Å; Y189-W191 HydrophobicContact CD1-CZ2 4.22Å; Y189-W191 PolarHBondContact O-N 3.29Å; Y189-W191 VanDerWaalsContact O-N 3.16Å; Y189-K192 HydrophobicContact CD1-CD 4.31Å; Y189-K192 WeakPolarHBondContact O-CB 3.5Å; Y189-K192 PolarHBondContact O-N 3.45Å; Y189-P193 WeakPolarHBondContact O-CD 3.01Å
190	R	88.3	Confident	88.1	Confident	83 Å²	83	61 Å²	61	31%	0.313	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-28.3	-176.7	-68.2	-173	176.6	93.8	6.9	113.7	Y182 F183 Q188 K192 P193	Y182-R190 PolarHBondContact O-NH1 3.22Å; F183-R190 HydrophobicContact CD1-CB 4.13Å; F183-R190 HydrophobicContact CE1-CB 3.89Å; F183-R190 HydrophobicContact CZ-CB 4.24Å; Q188-R190 HydrophobicContact CB-CG 4.21Å; Q188-R190 PolarHBondContact O-N 2.79Å; R190-K192 VanDerWaalsContact C-N 3.25Å; R190-K192 PolarHBondContact O-N 2.83Å; R190-P193 VanDerWaalsContact O-CD 3.27Å; R190-P193 WeakPolarHBondContact O-CD 3.31Å; R190-P193 WeakPolarHBondContact O-CG 3.32Å
191	W	90.7	Very high	86.7	Confident	16 Å²	16	62.1 Å²	62.1	6%	0.061	34%	0.339	C	S	.	.	H	α-helix	trans	-63.9	-29.4	175.5	56	-99.8	0	0	0	112.2	A123 L153 F174 L186 Y189 V194 I195 F207	A123-W191 HydrophobicContact CB-CE3 4.14Å; A123-W191 HydrophobicContact CB-CH2 3.81Å; A123-W191 HydrophobicContact CB-CZ3 3.43Å; A123-W191 VanDerWaalsContact CB-CZ3 3.43Å; L153-W191 HydrophobicContact CD1-CD2 3.72Å; L153-W191 VanDerWaalsContact CD1-CE2 3.45Å; L153-W191 HydrophobicContact CD1-CE3 4.11Å; L153-W191 HydrophobicContact CD1-CG 4.22Å; L153-W191 HydrophobicContact CD1-CH2 3.98Å; L153-W191 HydrophobicContact CD1-CZ2 3.6Å; L153-W191 HydrophobicContact CD1-CZ3 4.22Å; L153-W191 HydrophobicContact CD2-CB 4.22Å; L153-W191 HydrophobicContact CD2-CD2 4.1Å; L153-W191 HydrophobicContact CD2-CE3 4.36Å; L153-W191 HydrophobicContact CD2-CG 4.04Å; F174-W191 HydrophobicContact CE1-CB 4.36Å; F174-W191 HydrophobicContact CE2-CB 4.04Å; F174-W191 HydrophobicContact CZ-CB 3.92Å; L186-W191 PolarHBondContact O-NE1 3.12Å; Y189-W191 HydrophobicContact CD1-CZ2 4.22Å; Y189-W191 PolarHBondContact O-N 3.29Å; Y189-W191 VanDerWaalsContact O-N 3.16Å; W191-V194 PolarHBondContact O-N 2.82Å; W191-I195 HydrophobicContact CE3-CD1 3.51Å; W191-I195 HydrophobicContact CE3-CG1 4.46Å; W191-I195 HydrophobicContact CZ3-CD1 3.99Å; W191-I195 WeakPolarHBondContact O-CG1 3.25Å; W191-I195 PolarHBondContact O-N 3.37Å; W191-F207 AromaticContact CZ3-CZ 3.96Å; W191-F207 HydrophobicContact CZ3-CZ 3.96Å
192	K	89.9	Confident	85.2	Confident	37 Å²	37	63.9 Å²	63.9	16%	0.161	34%	0.342	C	S	.	.	H	α-helix	trans	-57.7	-58.4	-177.9	-72.3	-171.6	176	-172.9	0	112.9	Y189 R190 V194 I195 V196 F207 T209	Y189-K192 HydrophobicContact CD1-CD 4.31Å; Y189-K192 WeakPolarHBondContact O-CB 3.5Å; Y189-K192 PolarHBondContact O-N 3.45Å; R190-K192 VanDerWaalsContact C-N 3.25Å; R190-K192 PolarHBondContact O-N 2.83Å; K192-V194 PolarHBondContact O-N 3.11Å; K192-I195 PolarHBondContact O-N 3.42Å; K192-V196 WeakPolarHBondContact O-CB 3.37Å; K192-V196 WeakPolarHBondContact O-CG2 3.34Å; K192-V196 PolarHBondContact O-N 3.36Å; K192-F207 HydrophobicContact CB-CE1 4.42Å; K192-F207 HydrophobicContact CB-CZ 4.47Å; K192-F207 HydrophobicContact CD-CE1 4.14Å; K192-F207 HydrophobicContact CG-CE1 4.03Å; K192-F207 HydrophobicContact CG-CZ 4.23Å; K192-T209 HydrophobicContact CD-CG2 4.48Å; K192-T209 PolarHBondContact NZ-OG1 3.13Å
193	P	87.6	Confident	83.7	Confident	79 Å²	79	61.1 Å²	61.1	51%	0.513	34%	0.34	S	S	.	.	H	α-helix	trans	-62.7	-30	179.3	24.3	-35	0	0	0	112.7	Y189 R190 A197	Y189-P193 WeakPolarHBondContact O-CD 3.01Å; R190-P193 VanDerWaalsContact O-CD 3.27Å; R190-P193 WeakPolarHBondContact O-CD 3.31Å; R190-P193 WeakPolarHBondContact O-CG 3.32Å; P193-A197 WeakPolarHBondContact O-CB 3.5Å; P193-A197 PolarHBondContact O-N 3.19Å
194	V	88.6	Confident	82.4	Confident	31 Å²	31	63 Å²	63	19%	0.188	36%	0.356	C	S	.	.	H	α-helix	trans	-66.9	-51.8	176.1	172.1	0	0	0	0	111.2	F174 F179 F183 W191 K192 V196 A197 V198	F174-V194 HydrophobicContact CE2-CG1 4.1Å; F174-V194 HydrophobicContact CZ-CB 4.44Å; F174-V194 HydrophobicContact CZ-CG1 4.07Å; F179-V194 HydrophobicContact CE1-CG1 4.03Å; F179-V194 HydrophobicContact CE1-CG2 4.2Å; F179-V194 HydrophobicContact CE2-CG1 4.22Å; F179-V194 HydrophobicContact CZ-CG1 3.5Å; F179-V194 VanDerWaalsContact CZ-CG1 3.5Å; F179-V194 HydrophobicContact CZ-CG2 4.48Å; F183-V194 HydrophobicContact CE1-CG2 3.67Å; F183-V194 HydrophobicContact CZ-CG2 4.01Å; W191-V194 PolarHBondContact O-N 2.82Å; K192-V194 PolarHBondContact O-N 3.11Å; V194-V196 VanDerWaalsContact C-N 3.28Å; V194-V196 PolarHBondContact O-N 2.88Å; V194-A197 PolarHBondContact O-N 2.88Å; V194-V198 HydrophobicContact CG1-CG2 4.41Å; V194-V198 WeakPolarHBondContact O-CG2 3.07Å; V194-V198 PolarHBondContact O-N 3.26Å
195	I	89.7	Confident	80.8	Confident	1 Å²	1	57 Å²	57	1%	0.005	33%	0.334	C	S	.	.	H	α-helix	trans	-58.6	-45.6	178.5	-67.2	176.5	0	0	0	110.5	L121 A123 Y151 F174 W191 K192 A197 V198 R199 F207	L121-I195 HydrophobicContact CD1-CG2 3.48Å; L121-I195 VanDerWaalsContact CD1-CG2 3.48Å; L121-I195 HydrophobicContact CD2-CG2 3.79Å; L121-I195 HydrophobicContact CG-CG2 4.22Å; A123-I195 HydrophobicContact CB-CD1 4.08Å; Y151-I195 HydrophobicContact CD1-CD1 3.95Å; Y151-I195 HydrophobicContact CD1-CG1 4.09Å; Y151-I195 HydrophobicContact CD2-CD1 3.98Å; Y151-I195 HydrophobicContact CD2-CG1 4.31Å; Y151-I195 HydrophobicContact CD2-CG2 3.59Å; Y151-I195 HydrophobicContact CE1-CG1 4.24Å; Y151-I195 HydrophobicContact CE2-CG1 4.47Å; Y151-I195 HydrophobicContact CE2-CG2 3.41Å; Y151-I195 VanDerWaalsContact CE2-CG2 3.41Å; Y151-I195 HydrophobicContact CG-CD1 3.6Å; Y151-I195 HydrophobicContact CG-CG1 4.11Å; Y151-I195 HydrophobicContact CG-CG2 4.24Å; F174-I195 HydrophobicContact CD2-CD1 3.97Å; F174-I195 HydrophobicContact CD2-CG1 3.78Å; F174-I195 HydrophobicContact CE2-CD1 4.21Å; F174-I195 HydrophobicContact CE2-CG1 3.64Å; W191-I195 HydrophobicContact CE3-CD1 3.51Å; W191-I195 HydrophobicContact CE3-CG1 4.46Å; W191-I195 HydrophobicContact CZ3-CD1 3.99Å; W191-I195 WeakPolarHBondContact O-CG1 3.25Å; W191-I195 PolarHBondContact O-N 3.37Å; K192-I195 PolarHBondContact O-N 3.42Å; I195-A197 PolarHBondContact O-N 2.94Å; I195-V198 PolarHBondContact O-N 3.42Å; I195-R199 WeakPolarHBondContact O-CB 3.4Å; I195-R199 PolarHBondContact O-N 2.57Å; I195-F207 HydrophobicContact CG2-CE2 4.14Å
196	V	83.8	Confident	79.3	Confident	9 Å²	9	52.9 Å²	52.9	6%	0.055	31%	0.314	C	S	.	.	H	α-helix	trans	-58.6	-48.3	176.4	167	0	0	0	0	110.9	F11 F14 K192 V194 V198 R199 A200 F207	F11-V196 HydrophobicContact CE1-CG1 4.46Å; F14-V196 HydrophobicContact CD1-CG1 4.38Å; F14-V196 HydrophobicContact CE1-CB 4.39Å; F14-V196 HydrophobicContact CE1-CG1 3.41Å; F14-V196 VanDerWaalsContact CE1-CG1 3.41Å; F14-V196 HydrophobicContact CE1-CG2 4.17Å; F14-V196 HydrophobicContact CE2-CG1 3.92Å; F14-V196 HydrophobicContact CZ-CB 4.48Å; F14-V196 HydrophobicContact CZ-CG1 3.16Å; K192-V196 WeakPolarHBondContact O-CB 3.37Å; K192-V196 WeakPolarHBondContact O-CG2 3.34Å; K192-V196 PolarHBondContact O-N 3.36Å; V194-V196 VanDerWaalsContact C-N 3.28Å; V194-V196 PolarHBondContact O-N 2.88Å; V196-V198 PolarHBondContact O-N 3.23Å; V196-R199 PolarHBondContact O-N 3.04Å; V196-A200 WeakPolarHBondContact O-CB 3.47Å; V196-A200 PolarHBondContact O-N 2.72Å; V196-F207 HydrophobicContact CG2-CD2 3.96Å; V196-F207 HydrophobicContact CG2-CE2 3.92Å; V196-F207 HydrophobicContact CG2-CG 4.39Å; V196-F207 HydrophobicContact CG2-CZ 4.35Å
197	A	81.4	Confident	78	Confident	56 Å²	56	51.3 Å²	51.3	46%	0.463	31%	0.306	S	S	.	.	H	α-helix	trans	-62.6	-41.3	-179.8	0	0	0	0	0	112.7	P193 V194 I195	P193-A197 WeakPolarHBondContact O-CB 3.5Å; P193-A197 PolarHBondContact O-N 3.19Å; V194-A197 PolarHBondContact O-N 2.88Å; I195-A197 PolarHBondContact O-N 2.94Å
198	V	82.3	Confident	76.6	Confident	84 Å²	84	47.3 Å²	47.3	51%	0.509	28%	0.28	S	S	.	.	H	α-helix	trans	-65.6	-44.7	179	170.4	0	0	0	0	111.1	V194 I195 V196	V194-V198 HydrophobicContact CG1-CG2 4.41Å; V194-V198 WeakPolarHBondContact O-CG2 3.07Å; V194-V198 PolarHBondContact O-N 3.26Å; I195-V198 PolarHBondContact O-N 3.42Å; V196-V198 PolarHBondContact O-N 3.23Å
199	R	82.9	Confident	75	Confident	42 Å²	42	43.7 Å²	43.7	16%	0.158	26%	0.264	C	S	.	.	H	α-helix	trans	-85	-30	-174.7	-69.9	-69.6	-174.5	151.6	2.8	113.6	L121 Y151 E170 V172 I195 V196 A201 S202 S203 L205	L121-R199 HydrophobicContact CD1-CB 4.06Å; L121-R199 HydrophobicContact CD1-CG 3.89Å; Y151-R199 HydrophobicContact CE2-CG 4.08Å; Y151-R199 PolarHBondContact OH-NE 3.49Å; E170-R199 IonicContact OE1-CZ 3.45Å; E170-R199 IonicContact OE1-NH1 2.75Å; E170-R199 PolarHBondContact OE1-NH1 2.81Å; E170-R199 IonicContact OE1-NH2 3.36Å; E170-R199 PolarHBondContact OE1-NH2 3.1Å; E170-R199 IonicContact OE2-NH1 3.87Å; E170-R199 PolarHBondContact OE2-NH1 3.29Å; V172-R199 VanDerWaalsContact CG2-NH2 3.26Å; I195-R199 WeakPolarHBondContact O-CB 3.4Å; I195-R199 PolarHBondContact O-N 2.57Å; V196-R199 PolarHBondContact O-N 3.04Å; R199-A201 PolarHBondContact O-N 2.83Å; R199-S202 PolarHBondContact O-N 2.85Å; R199-S203 PolarHBondContact O-N 2.87Å; R199-L205 HydrophobicContact CB-CD1 3.65Å; R199-L205 HydrophobicContact CB-CD2 3.79Å; R199-L205 HydrophobicContact CB-CG 4.27Å
200	A	72.1	Confident	73.1	Confident	27 Å²	27	42.4 Å²	42.4	22%	0.223	26%	0.262	C	S	.	.	H	α-helix	trans	-66.8	-23.3	177.3	0	0	0	0	0	112	F14 V196 S202 L205	F14-A200 HydrophobicContact CZ-CB 4.17Å; V196-A200 WeakPolarHBondContact O-CB 3.47Å; V196-A200 PolarHBondContact O-N 2.72Å; A200-S202 PolarHBondContact O-N 3.43Å; A200-L205 HydrophobicContact CB-CD1 4.01Å
201	A	65.3	Low	71	Confident	88 Å²	88	44.3 Å²	44.3	73%	0.727	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-18.8	172.2	0	0	0	0	0	113	R199	R199-A201 PolarHBondContact O-N 2.83Å
202	S	61.6	Low	68.5	Low	94 Å²	94	51.9 Å²	51.9	66%	0.657	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.7	-21.7	-174	-55.2	0	0	0	0	114	R199 A200	R199-S202 PolarHBondContact O-N 2.85Å; A200-S202 PolarHBondContact O-N 3.43Å
203	S	61.3	Low	65.8	Low	57 Å²	57	57.5 Å²	57.5	40%	0.399	35%	0.345	S	S	.	.	S	Bend	trans	-158.9	159.8	-175.9	-55.3	0	0	0	0	113.4	R199	R199-S203 PolarHBondContact O-N 2.87Å
204	S	62.5	Low	64.7	Low	64 Å²	64	56.5 Å²	56.5	45%	0.448	34%	0.337	S	S	.	.			trans	-69.7	128.8	163.8	-66.9	0	0	0	0	110.3	Y112 V119	Y112-S204 WeakPolarHBondContact OH-CB 3.38Å; V119-S204 PolarHBondContact N-O 2.69Å
205	L	60.7	Low	63.5	Low	6 Å²	6	57.8 Å²	57.8	3%	0.031	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	140.3	-168.9	-66.1	174.6	0	0	0	114	F14 L121 R199 A200	F14-L205 HydrophobicContact CE1-CB 3.92Å; F14-L205 HydrophobicContact CE1-CD1 3.97Å; F14-L205 HydrophobicContact CZ-CD1 4.41Å; L121-L205 HydrophobicContact CD1-CD2 4.2Å; R199-L205 HydrophobicContact CB-CD1 3.65Å; R199-L205 HydrophobicContact CB-CD2 3.79Å; R199-L205 HydrophobicContact CB-CG 4.27Å; A200-L205 HydrophobicContact CB-CD1 4.01Å
206	F	61	Low	62	Low	13 Å²	13	60.9 Å²	60.9	6%	0.057	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	122.2	158	-87.3	-112.1	0	0	0	110.1	I15 Y112 L113 P118 V119 F120 L121	I15-F206 HydrophobicContact CB-CD1 3.68Å; I15-F206 HydrophobicContact CB-CE1 3.65Å; I15-F206 HydrophobicContact CD1-CD1 4.17Å; I15-F206 HydrophobicContact CD1-CE1 3.21Å; I15-F206 HydrophobicContact CD1-CZ 3.54Å; I15-F206 HydrophobicContact CG1-CD1 4.43Å; I15-F206 HydrophobicContact CG1-CE1 3.91Å; I15-F206 HydrophobicContact CG1-CZ 4.46Å; I15-F206 HydrophobicContact CG2-CD1 3.98Å; I15-F206 HydrophobicContact CG2-CE1 3.96Å; Y112-F206 HydrophobicContact CD1-CD2 4.48Å; Y112-F206 AromaticContact CD1-CE2 3.21Å; Y112-F206 HydrophobicContact CD1-CE2 3.21Å; Y112-F206 AromaticContact CD1-CZ 3.36Å; Y112-F206 HydrophobicContact CD1-CZ 3.36Å; Y112-F206 HydrophobicContact CE1-CD2 4.12Å; Y112-F206 AromaticContact CE1-CE2 3.14Å; Y112-F206 HydrophobicContact CE1-CE2 3.14Å; Y112-F206 AromaticContact CE1-CZ 3.81Å; Y112-F206 HydrophobicContact CE1-CZ 3.81Å; Y112-F206 HydrophobicContact CG-CE2 4.21Å; Y112-F206 HydrophobicContact CG-CZ 4.02Å; L113-F206 HydrophobicContact CD2-CE1 4.39Å; L113-F206 HydrophobicContact CD2-CE2 4.28Å; L113-F206 HydrophobicContact CD2-CZ 3.97Å; L113-F206 HydrophobicContact CG-CZ 4.19Å; P118-F206 HydrophobicContact CB-CD2 3.07Å; P118-F206 HydrophobicContact CB-CE2 3.27Å; P118-F206 HydrophobicContact CB-CG 4.11Å; P118-F206 HydrophobicContact CG-CD2 3.66Å; P118-F206 HydrophobicContact CG-CE2 3.44Å; P118-F206 VanDerWaalsContact CG-CE2 3.44Å; P118-F206 HydrophobicContact CG-CZ 4.33Å; V119-F206 PolarHBondContact O-N 2.92Å; F120-F206 HydrophobicContact CD1-CB 4.1Å; F120-F206 HydrophobicContact CE1-CB 4.37Å; L121-F206 PolarHBondContact N-O 2.96Å
207	F	62.2	Low	60.7	Low	1 Å²	1	64 Å²	64	0%	0.004	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	108.1	-176.4	-154.4	-108.7	0	0	0	109.4	I15 F16 L121 W191 K192 I195 V196 T209	I15-F207 PolarHBondContact O-N 3.24Å; I15-F207 VanDerWaalsContact O-O 3.13Å; F16-F207 HydrophobicContact CD1-CD1 4.31Å; F16-F207 AromaticContact CE1-CD1 3.97Å; F16-F207 HydrophobicContact CE1-CD1 3.97Å; L121-F207 HydrophobicContact CB-CD2 3.97Å; L121-F207 HydrophobicContact CB-CE2 4.46Å; L121-F207 HydrophobicContact CD1-CD2 4.11Å; L121-F207 HydrophobicContact CD1-CE2 4.07Å; L121-F207 HydrophobicContact CD2-CD2 3.58Å; L121-F207 HydrophobicContact CD2-CE2 3.19Å; L121-F207 HydrophobicContact CD2-CZ 4.13Å; L121-F207 HydrophobicContact CG-CD2 4.07Å; L121-F207 HydrophobicContact CG-CE2 4.07Å; W191-F207 AromaticContact CZ3-CZ 3.96Å; W191-F207 HydrophobicContact CZ3-CZ 3.96Å; K192-F207 HydrophobicContact CB-CE1 4.42Å; K192-F207 HydrophobicContact CB-CZ 4.47Å; K192-F207 HydrophobicContact CD-CE1 4.14Å; K192-F207 HydrophobicContact CG-CE1 4.03Å; K192-F207 HydrophobicContact CG-CZ 4.23Å; I195-F207 HydrophobicContact CG2-CE2 4.14Å; V196-F207 HydrophobicContact CG2-CD2 3.96Å; V196-F207 HydrophobicContact CG2-CE2 3.92Å; V196-F207 HydrophobicContact CG2-CG 4.39Å; V196-F207 HydrophobicContact CG2-CZ 4.35Å; F207-T209 HydrophobicContact CD1-CG2 3.11Å; F207-T209 HydrophobicContact CE1-CG2 3Å; F207-T209 HydrophobicContact CG-CG2 4.25Å; F207-T209 HydrophobicContact CZ-CG2 4.08Å
208	I	59.9	Low	59.4	Low	31 Å²	31	64.5 Å²	64.5	16%	0.159	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	110.4	176.2	-59.6	173.1	0	0	0	107.3	F120 L121 T122 V139	F120-I208 HydrophobicContact CD1-CD1 3.61Å; F120-I208 HydrophobicContact CD1-CG1 4.42Å; F120-I208 HydrophobicContact CE1-CD1 4.2Å; L121-I208 PolarHBondContact O-N 3.41Å; T122-I208 PolarHBondContact OG1-O 3.02Å; V139-I208 HydrophobicContact CG2-CD1 3.39Å
209	T	54.8	Low	57.9	Low	12 Å²	12	63.2 Å²	63.2	7%	0.074	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	128.1	174.7	70.8	0	0	0	0	111.2	V17 K192 F207 K211	V17-T209 PolarHBondContact O-N 2.72Å; K192-T209 HydrophobicContact CD-CG2 4.48Å; K192-T209 PolarHBondContact NZ-OG1 3.13Å; F207-T209 HydrophobicContact CD1-CG2 3.11Å; F207-T209 HydrophobicContact CE1-CG2 3Å; F207-T209 HydrophobicContact CG-CG2 4.25Å; F207-T209 HydrophobicContact CZ-CG2 4.08Å; T209-K211 PolarHBondContact O-N 2.86Å
210	M	49.1	Very low	56.1	Low	60 Å²	60	64.7 Å²	64.7	30%	0.296	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	126.9	160.4	-56.7	-172.3	77.7	0	0	107.7	P131 A135	P131-M210 HydrophobicContact CB-CE 3.78Å; P131-M210 HydrophobicContact CB-SD 3.44Å; P131-M210 WeakPolarHBondContact CB-SD 3.48Å; A135-M210 HydrophobicContact CB-SD 4.47Å
211	K	42.8	Very low	54.9	Low	122 Å²	122	67.6 Å²	67.6	53%	0.53	40%	0.395	S	S	.	.			trans	-105.2	132.2	172.7	-168.9	-173.9	173.6	-171	0	107	V18 T209 S213	V18-K211 HydrophobicContact CG1-CB 4Å; T209-K211 PolarHBondContact O-N 2.86Å; K211-S213 PolarHBondContact O-N 3.21Å
212	R	39.9	Very low	54	Low	176 Å²	176	65.9 Å²	65.9	66%	0.664	37%	0.367	S	S	*	.			trans	-65.3	125.3	168.7	-164.3	179.8	-177.3	157.8	-0.7	108.3
213	S	32.5	Very low	53.3	Low	155 Å²	155	63.4 Å²	63.4	100%	1.084	34%	0.341	S	S	*	.			trans	-61	0	163.2	56.6	0	0	0	0	110.5	K211	K211-S213 PolarHBondContact O-N 3.21Å

Retrieved 213 of 213 residues in 220.2 ms (Link to these results)

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