A0A3Q0KT27_SCHMA Loading...

Peptidase_M13_N domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KT27, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 218 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	49.9	Very low	71.4	Confident	239 Å²	239	147.3 Å²	147.3	100%	1.177	71%	0.706	S	S	*	*				0	29.1	0	-151.3	156.9	119.4	0	0	114.6
2	K	56.4	Low	72.4	Confident	200 Å²	200	143.9 Å²	143.9	87%	0.87	69%	0.694	S	S	*	*			trans	-98.4	-15.3	179.7	-89.1	176.9	175	174.5	0	115.1	N4 G5	K2-N4 PolarHBondContact O-N 3.16Å; K2-G5 PolarHBondContact O-N 2.99Å
3	M	55.1	Low	73.5	Confident	165 Å²	165	139.8 Å²	139.8	81%	0.813	68%	0.676	S	S	*	*	H	α-helix	trans	-66.9	-30.5	-174.8	-84.5	171.9	62	0	0	114.7	G5 L6 R7	M3-G5 VanDerWaalsContact C-N 3.3Å; M3-G5 PolarHBondContact O-N 3.27Å; M3-L6 PolarHBondContact O-N 2.72Å; M3-R7 PolarHBondContact O-N 3.09Å
4	N	68.1	Low	74.5	Confident	118 Å²	118	136.4 Å²	136.4	63%	0.631	66%	0.662	S	S	*	*	H	α-helix	trans	-68.5	-28.9	-177.3	-73.4	-7.3	0	0	0	113.1	K2 K8	K2-N4 PolarHBondContact O-N 3.16Å; N4-K8 WeakPolarHBondContact O-CG 3.5Å; N4-K8 PolarHBondContact O-N 2.87Å
5	G	72.3	Confident	75.3	Confident	41 Å²	41	133.1 Å²	133.1	42%	0.423	65%	0.648	S	S	.	*	H	α-helix	trans	-72.5	-42.4	176.8	0	0	0	0	0	112.6	K2 M3 K8 R9	K2-G5 PolarHBondContact O-N 2.99Å; M3-G5 VanDerWaalsContact C-N 3.3Å; M3-G5 PolarHBondContact O-N 3.27Å; G5-K8 PolarHBondContact O-N 3.01Å; G5-R9 PolarHBondContact O-N 3.08Å; G5-R9 VanDerWaalsContact O-N 3.13Å
6	L	76.4	Confident	75.9	Confident	134 Å²	134	130.9 Å²	130.9	70%	0.702	64%	0.639	S	S	*	*	H	α-helix	trans	-68.1	-40.7	-179.1	-153	79.5	0	0	0	111.6	M3 K8 R9 L10	M3-L6 PolarHBondContact O-N 2.72Å; L6-K8 PolarHBondContact O-N 2.93Å; L6-R9 PolarHBondContact O-N 3.35Å; L6-L10 WeakPolarHBondContact O-CB 3.43Å; L6-L10 PolarHBondContact O-N 2.66Å
7	R	76.9	Confident	76.6	Confident	193 Å²	193	129.5 Å²	129.5	73%	0.728	64%	0.635	S	S	*	*	H	α-helix	trans	-62	-43.7	177.1	-162.1	176	-177.3	-170.5	0.7	111.7	M3 L10 T11	M3-R7 PolarHBondContact O-N 3.09Å; R7-L10 PolarHBondContact O-N 2.91Å; R7-T11 PolarHBondContact O-N 3.23Å; R7-T11 PolarHBondContact O-OG1 3.35Å
8	K	78.2	Confident	77.1	Confident	162 Å²	162	126.1 Å²	126.1	70%	0.704	62%	0.623	S	S	*	*	H	α-helix	trans	-62.9	-43.1	176.2	-74.9	-176.6	178.4	-170.7	0	112.6	N4 G5 L6 T11 L12	N4-K8 WeakPolarHBondContact O-CG 3.5Å; N4-K8 PolarHBondContact O-N 2.87Å; G5-K8 PolarHBondContact O-N 3.01Å; L6-K8 PolarHBondContact O-N 2.93Å; K8-T11 PolarHBondContact O-N 3.01Å; K8-L12 PolarHBondContact O-N 3.46Å
9	R	80.6	Confident	77.4	Confident	187 Å²	187	126.2 Å²	126.2	71%	0.706	62%	0.621	S	S	*	*	H	α-helix	trans	-63.2	-43.6	176.8	-74.5	-175.5	177.7	-162.4	-0.9	111.8	G5 L6 L12 I13	G5-R9 PolarHBondContact O-N 3.08Å; G5-R9 VanDerWaalsContact O-N 3.13Å; L6-R9 PolarHBondContact O-N 3.35Å; R9-L12 PolarHBondContact O-N 3.22Å; R9-I13 WeakPolarHBondContact O-CG1 3.5Å; R9-I13 PolarHBondContact O-N 3.22Å
10	L	86	Confident	77.7	Confident	107 Å²	107	125 Å²	125	56%	0.56	62%	0.616	S	S	*	*	H	α-helix	trans	-63.4	-42.6	177.7	-169.1	67.2	0	0	0	111.6	L6 R7 L12 I13 I14	L6-L10 WeakPolarHBondContact O-CB 3.43Å; L6-L10 PolarHBondContact O-N 2.66Å; R7-L10 PolarHBondContact O-N 2.91Å; L10-L12 PolarHBondContact O-N 3.19Å; L10-I13 PolarHBondContact O-N 2.82Å; L10-I14 HydrophobicContact CG-CD1 4.06Å; L10-I14 VanDerWaalsContact O-CG1 3.27Å; L10-I14 WeakPolarHBondContact O-CG1 3.49Å; L10-I14 PolarHBondContact O-N 2.98Å
11	T	85.6	Confident	77.9	Confident	74 Å²	74	121.7 Å²	121.7	45%	0.454	61%	0.605	S	S	.	*	H	α-helix	trans	-61.3	-42.1	175.1	-54	0	0	0	0	112.2	R7 K8 I14 L15	R7-T11 PolarHBondContact O-N 3.23Å; R7-T11 PolarHBondContact O-OG1 3.35Å; K8-T11 PolarHBondContact O-N 3.01Å; T11-I14 PolarHBondContact O-N 3.4Å; T11-L15 HydrophobicContact CG2-CD1 4.19Å; T11-L15 WeakPolarHBondContact O-CG 3.39Å; T11-L15 PolarHBondContact O-N 3.12Å
12	L	83.2	Confident	79.6	Confident	107 Å²	107	114.2 Å²	114.2	56%	0.56	57%	0.573	S	S	*	*	H	α-helix	trans	-64.4	-42.7	177.6	-172.6	68.3	0	0	0	111.9	K8 R9 L10 L15 L16	K8-L12 PolarHBondContact O-N 3.46Å; R9-L12 PolarHBondContact O-N 3.22Å; L10-L12 PolarHBondContact O-N 3.19Å; L12-L15 PolarHBondContact O-N 3.33Å; L12-L16 HydrophobicContact CG-CD1 4.25Å; L12-L16 WeakPolarHBondContact O-CG 3.49Å; L12-L16 PolarHBondContact O-N 3.34Å
13	I	87.1	Confident	80.7	Confident	91 Å²	91	107.5 Å²	107.5	47%	0.467	56%	0.555	S	S	.	*	H	α-helix	trans	-62.1	-45.4	176.4	-68	165.7	0	0	0	110.4	R9 L10 L15 L16 L17	R9-I13 WeakPolarHBondContact O-CG1 3.5Å; R9-I13 PolarHBondContact O-N 3.22Å; L10-I13 PolarHBondContact O-N 2.82Å; I13-L15 VanDerWaalsContact C-N 3.35Å; I13-L15 PolarHBondContact O-N 2.98Å; I13-L16 PolarHBondContact O-N 3.4Å; I13-L17 HydrophobicContact CG2-CD1 3.83Å; I13-L17 HydrophobicContact CG2-CG 4.28Å; I13-L17 WeakPolarHBondContact O-CB 3.15Å; I13-L17 VanDerWaalsContact O-CG 3.29Å; I13-L17 WeakPolarHBondContact O-CG 3.3Å; I13-L17 PolarHBondContact O-N 2.93Å
14	I	87.7	Confident	82	Confident	92 Å²	92	102.7 Å²	102.7	47%	0.472	54%	0.535	S	S	.	.	H	α-helix	trans	-59.8	-46.1	177.4	-68	166	0	0	0	110.4	L10 T11 L16 L17 T18	L10-I14 HydrophobicContact CG-CD1 4.06Å; L10-I14 VanDerWaalsContact O-CG1 3.27Å; L10-I14 WeakPolarHBondContact O-CG1 3.49Å; L10-I14 PolarHBondContact O-N 2.98Å; T11-I14 PolarHBondContact O-N 3.4Å; I14-L16 PolarHBondContact O-N 2.78Å; I14-L17 PolarHBondContact O-N 3.41Å; I14-T18 HydrophobicContact CG2-CG2 4.39Å; I14-T18 WeakPolarHBondContact O-CG2 3.38Å; I14-T18 PolarHBondContact O-N 3Å; I14-T18 PolarHBondContact O-OG1 3.46Å
15	L	85.9	Confident	82.7	Confident	86 Å²	86	102.9 Å²	102.9	45%	0.45	53%	0.53	S	S	.	.	H	α-helix	trans	-60.7	-44	177.7	-74	169.2	0	0	0	112.3	T11 L12 I13 T18 H19	T11-L15 HydrophobicContact CG2-CD1 4.19Å; T11-L15 WeakPolarHBondContact O-CG 3.39Å; T11-L15 PolarHBondContact O-N 3.12Å; L12-L15 PolarHBondContact O-N 3.33Å; I13-L15 VanDerWaalsContact C-N 3.35Å; I13-L15 PolarHBondContact O-N 2.98Å; L15-T18 WeakPolarHBondContact CA-OG1 3.23Å; L15-T18 PolarHBondContact O-N 3.03Å; L15-T18 PolarHBondContact O-OG1 3.35Å; L15-H19 WeakPolarHBondContact O-CB 3.46Å; L15-H19 PolarHBondContact O-CD2 3.49Å; L15-H19 PolarHBondContact O-N 3.45Å
16	L	84.6	Confident	83.1	Confident	98 Å²	98	105.3 Å²	105.3	51%	0.513	53%	0.533	S	S	.	.	H	α-helix	trans	-62.5	-45	176.8	-72	169.7	0	0	0	111.4	L12 I13 I14 T18 H19 I20	L12-L16 HydrophobicContact CG-CD1 4.25Å; L12-L16 WeakPolarHBondContact O-CG 3.49Å; L12-L16 PolarHBondContact O-N 3.34Å; I13-L16 PolarHBondContact O-N 3.4Å; I14-L16 PolarHBondContact O-N 2.78Å; L16-T18 PolarHBondContact O-N 3.27Å; L16-H19 PolarHBondContact O-N 3.44Å; L16-I20 WeakPolarHBondContact O-CD1 3.47Å; L16-I20 VanDerWaalsContact O-CG1 3.24Å; L16-I20 WeakPolarHBondContact O-CG1 3.44Å; L16-I20 PolarHBondContact O-N 3.01Å
17	L	87.7	Confident	83.3	Confident	107 Å²	107	104 Å²	104	56%	0.56	53%	0.526	S	S	*	.	H	α-helix	trans	-63.5	-40.2	177.8	-70.3	173.4	0	0	0	112	I13 I14 I20 S21	I13-L17 HydrophobicContact CG2-CD1 3.83Å; I13-L17 HydrophobicContact CG2-CG 4.28Å; I13-L17 WeakPolarHBondContact O-CB 3.15Å; I13-L17 VanDerWaalsContact O-CG 3.29Å; I13-L17 WeakPolarHBondContact O-CG 3.3Å; I13-L17 PolarHBondContact O-N 2.93Å; I14-L17 PolarHBondContact O-N 3.41Å; L17-I20 PolarHBondContact O-N 3.07Å; L17-S21 WeakPolarHBondContact O-CB 3.2Å; L17-S21 PolarHBondContact O-N 2.89Å
18	T	86.6	Confident	83.4	Confident	68 Å²	68	100.5 Å²	100.5	42%	0.417	52%	0.518	S	S	.	.	H	α-helix	trans	-66.1	-40.7	175.8	54.4	0	0	0	0	111.5	I14 L15 L16 S21 V22	I14-T18 HydrophobicContact CG2-CG2 4.39Å; I14-T18 WeakPolarHBondContact O-CG2 3.38Å; I14-T18 PolarHBondContact O-N 3Å; I14-T18 PolarHBondContact O-OG1 3.46Å; L15-T18 WeakPolarHBondContact CA-OG1 3.23Å; L15-T18 PolarHBondContact O-N 3.03Å; L15-T18 PolarHBondContact O-OG1 3.35Å; L16-T18 PolarHBondContact O-N 3.27Å; T18-S21 PolarHBondContact O-N 3.04Å; T18-V22 VanDerWaalsContact O-CG2 3.27Å; T18-V22 WeakPolarHBondContact O-CG2 3.41Å; T18-V22 PolarHBondContact O-N 3.48Å
19	H	81.3	Confident	83.4	Confident	128 Å²	128	98.1 Å²	98.1	59%	0.593	51%	0.509	S	S	*	.	H	α-helix	trans	-65.2	-41.3	176.3	-80	-62.8	0	0	0	112.3	L15 L16 V22 A23	L15-H19 WeakPolarHBondContact O-CB 3.46Å; L15-H19 PolarHBondContact O-CD2 3.49Å; L15-H19 PolarHBondContact O-N 3.45Å; L16-H19 PolarHBondContact O-N 3.44Å; H19-V22 PolarHBondContact O-N 3.27Å; H19-A23 WeakPolarHBondContact O-CB 3.45Å; H19-A23 PolarHBondContact O-N 3.26Å
20	I	83.6	Confident	83.1	Confident	102 Å²	102	92.3 Å²	92.3	52%	0.523	49%	0.494	S	S	.	.	H	α-helix	trans	-62.2	-48.2	175.5	-68.2	163.5	0	0	0	110.2	L16 L17 V22 A23 T24	L16-I20 WeakPolarHBondContact O-CD1 3.47Å; L16-I20 VanDerWaalsContact O-CG1 3.24Å; L16-I20 WeakPolarHBondContact O-CG1 3.44Å; L16-I20 PolarHBondContact O-N 3.01Å; L17-I20 PolarHBondContact O-N 3.07Å; I20-V22 VanDerWaalsContact C-N 3.31Å; I20-V22 PolarHBondContact O-N 3Å; I20-A23 PolarHBondContact O-N 3.38Å; I20-A23 VanDerWaalsContact O-N 3.17Å; I20-T24 HydrophobicContact CG2-CG2 4.44Å; I20-T24 WeakPolarHBondContact O-CG2 3.34Å; I20-T24 PolarHBondContact O-N 3.4Å; I20-T24 PolarHBondContact O-OG1 3.46Å
21	S	83.4	Confident	82.6	Confident	56 Å²	56	91.6 Å²	91.6	39%	0.392	49%	0.49	S	S	.	.	H	α-helix	trans	-62.8	-36.1	-179.8	179.8	0	0	0	0	113.2	L17 T18 T24 K25	L17-S21 WeakPolarHBondContact O-CB 3.2Å; L17-S21 PolarHBondContact O-N 2.89Å; T18-S21 PolarHBondContact O-N 3.04Å; S21-T24 PolarHBondContact O-OG1 3.23Å; S21-K25 WeakPolarHBondContact O-CG 3.46Å; S21-K25 PolarHBondContact O-N 3.08Å
22	V	84.6	Confident	82.1	Confident	82 Å²	82	94 Å²	94	50%	0.497	50%	0.497	S	S	.	.	H	α-helix	trans	-68.1	-44.1	174.3	170.5	0	0	0	0	110.5	T18 H19 I20 T24 K25 I26	T18-V22 VanDerWaalsContact O-CG2 3.27Å; T18-V22 WeakPolarHBondContact O-CG2 3.41Å; T18-V22 PolarHBondContact O-N 3.48Å; H19-V22 PolarHBondContact O-N 3.27Å; I20-V22 VanDerWaalsContact C-N 3.31Å; I20-V22 PolarHBondContact O-N 3Å; V22-T24 VanDerWaalsContact C-N 3.35Å; V22-T24 PolarHBondContact O-N 3.09Å; V22-K25 PolarHBondContact O-N 2.9Å; V22-I26 HydrophobicContact CG1-CD1 3.75Å; V22-I26 HydrophobicContact CG1-CG1 4.47Å; V22-I26 WeakPolarHBondContact O-CG1 3.17Å; V22-I26 PolarHBondContact O-N 3.48Å; V22-I26 VanDerWaalsContact O-N 3.07Å
23	A	80.2	Confident	81.6	Confident	59 Å²	59	93.6 Å²	93.6	49%	0.488	50%	0.495	S	S	.	.	H	α-helix	trans	-62.2	-40.4	179	0	0	0	0	0	112.5	H19 I20 L27	H19-A23 WeakPolarHBondContact O-CB 3.45Å; H19-A23 PolarHBondContact O-N 3.26Å; I20-A23 PolarHBondContact O-N 3.38Å; I20-A23 VanDerWaalsContact O-N 3.17Å; A23-L27 WeakPolarHBondContact O-CB 3.43Å; A23-L27 PolarHBondContact O-N 3.48Å
24	T	81.8	Confident	80.7	Confident	65 Å²	65	91.4 Å²	91.4	40%	0.399	48%	0.484	S	S	.	.	H	α-helix	trans	-65.8	-41.7	177.5	55.2	0	0	0	0	112	I20 S21 V22 L27 E28	I20-T24 HydrophobicContact CG2-CG2 4.44Å; I20-T24 WeakPolarHBondContact O-CG2 3.34Å; I20-T24 PolarHBondContact O-N 3.4Å; I20-T24 PolarHBondContact O-OG1 3.46Å; S21-T24 PolarHBondContact O-OG1 3.23Å; V22-T24 VanDerWaalsContact C-N 3.35Å; V22-T24 PolarHBondContact O-N 3.09Å; T24-L27 WeakPolarHBondContact O-CB 3.23Å; T24-L27 PolarHBondContact O-N 3.16Å; T24-E28 WeakPolarHBondContact O-CG 3.23Å; T24-E28 PolarHBondContact O-N 3.39Å
25	K	83.2	Confident	79.5	Confident	122 Å²	122	88.7 Å²	88.7	53%	0.53	47%	0.472	S	S	.	.	H	α-helix	trans	-62.8	-45.1	177	-74.4	-179.5	178.4	-172.1	0	112.5	S21 V22 L27 E28 E29	S21-K25 WeakPolarHBondContact O-CG 3.46Å; S21-K25 PolarHBondContact O-N 3.08Å; V22-K25 PolarHBondContact O-N 2.9Å; K25-L27 VanDerWaalsContact C-N 3.25Å; K25-L27 PolarHBondContact O-N 3.42Å; K25-E28 PolarHBondContact O-N 3.46Å; K25-E29 WeakPolarHBondContact O-CG 3.3Å; K25-E29 PolarHBondContact O-N 3.39Å
26	I	81.5	Confident	78.5	Confident	92 Å²	92	85.1 Å²	85.1	47%	0.472	45%	0.453	S	S	.	.	H	α-helix	trans	-60.9	-39.3	176.8	-67.7	168.3	0	0	0	110.5	V22 T30	V22-I26 HydrophobicContact CG1-CD1 3.75Å; V22-I26 HydrophobicContact CG1-CG1 4.47Å; V22-I26 WeakPolarHBondContact O-CG1 3.17Å; V22-I26 PolarHBondContact O-N 3.48Å; V22-I26 VanDerWaalsContact O-N 3.07Å; I26-T30 VanDerWaalsContact O-CB 3.32Å; I26-T30 WeakPolarHBondContact O-CB 3.41Å; I26-T30 PolarHBondContact O-N 3.18Å; I26-T30 PolarHBondContact O-OG1 3.33Å
27	L	79.3	Confident	77.4	Confident	107 Å²	107	87.8 Å²	87.8	56%	0.56	47%	0.468	S	S	*	.	H	α-helix	trans	-64.7	-46.1	177.1	-178.3	62.1	0	0	0	111.5	A23 T24 K25 T30 I31	A23-L27 WeakPolarHBondContact O-CB 3.43Å; A23-L27 PolarHBondContact O-N 3.48Å; T24-L27 WeakPolarHBondContact O-CB 3.23Å; T24-L27 PolarHBondContact O-N 3.16Å; K25-L27 VanDerWaalsContact C-N 3.25Å; K25-L27 PolarHBondContact O-N 3.42Å; L27-T30 PolarHBondContact O-N 3.03Å; L27-I31 HydrophobicContact CD1-CD1 4.05Å; L27-I31 HydrophobicContact CD1-CG1 4.35Å; L27-I31 HydrophobicContact CG-CD1 3.94Å; L27-I31 VanDerWaalsContact O-CG1 3.26Å; L27-I31 WeakPolarHBondContact O-CG1 3.26Å; L27-I31 PolarHBondContact O-N 2.96Å
28	E	78.8	Confident	75.9	Confident	118 Å²	118	85.6 Å²	85.6	55%	0.551	46%	0.461	S	S	*	.	H	α-helix	trans	-59.7	-47.9	176.5	-74	172.6	-178.9	0	0	111.8	T24 K25 T30 I31 Q32	T24-E28 WeakPolarHBondContact O-CG 3.23Å; T24-E28 PolarHBondContact O-N 3.39Å; K25-E28 PolarHBondContact O-N 3.46Å; E28-T30 PolarHBondContact O-N 3.04Å; E28-I31 PolarHBondContact O-N 3.27Å; E28-Q32 WeakPolarHBondContact O-CB 3.33Å; E28-Q32 WeakPolarHBondContact O-CG 3.32Å; E28-Q32 PolarHBondContact O-N 3.43Å
29	E	78.2	Confident	74.4	Confident	112 Å²	112	89.6 Å²	89.6	52%	0.523	48%	0.475	S	S	.	.	H	α-helix	trans	-60.7	-43.7	176.7	-72.7	172.8	-175.2	0	0	111.7	K25 I31 Q32 N33	K25-E29 WeakPolarHBondContact O-CG 3.3Å; K25-E29 PolarHBondContact O-N 3.39Å; E29-I31 PolarHBondContact O-N 2.71Å; E29-Q32 PolarHBondContact O-N 2.99Å; E29-N33 VanDerWaalsContact O-CB 3.29Å; E29-N33 WeakPolarHBondContact O-CB 3.31Å; E29-N33 PolarHBondContact O-N 3.04Å; E29-N33 PolarHBondContact O-ND2 3.26Å
30	T	75.4	Confident	73.3	Confident	65 Å²	65	88.9 Å²	88.9	40%	0.399	48%	0.479	S	S	.	.	H	α-helix	trans	-66.2	-39.3	180	-55.6	0	0	0	0	111.6	I26 L27 E28 N34	I26-T30 VanDerWaalsContact O-CB 3.32Å; I26-T30 WeakPolarHBondContact O-CB 3.41Å; I26-T30 PolarHBondContact O-N 3.18Å; I26-T30 PolarHBondContact O-OG1 3.33Å; L27-T30 PolarHBondContact O-N 3.03Å; E28-T30 PolarHBondContact O-N 3.04Å; T30-N34 PolarHBondContact O-N 3.29Å; T30-N34 PolarHBondContact O-ND2 3.11Å; T30-N34 VanDerWaalsContact O-ND2 3.16Å
31	I	74.3	Confident	71.9	Confident	92 Å²	92	87.5 Å²	87.5	47%	0.472	48%	0.479	S	S	.	.	H	α-helix	trans	-63.7	-51.1	175.6	-70.7	167.2	0	0	0	109.5	L27 E28 E29 N33 N34 T35	L27-I31 HydrophobicContact CD1-CD1 4.05Å; L27-I31 HydrophobicContact CD1-CG1 4.35Å; L27-I31 HydrophobicContact CG-CD1 3.94Å; L27-I31 VanDerWaalsContact O-CG1 3.26Å; L27-I31 WeakPolarHBondContact O-CG1 3.26Å; L27-I31 PolarHBondContact O-N 2.96Å; E28-I31 PolarHBondContact O-N 3.27Å; E29-I31 PolarHBondContact O-N 2.71Å; I31-N33 VanDerWaalsContact C-N 3.31Å; I31-N33 PolarHBondContact O-N 2.85Å; I31-N34 PolarHBondContact O-N 2.76Å; I31-N34 VanDerWaalsContact O-N 3.17Å; I31-T35 HydrophobicContact CG2-CG2 4.41Å; I31-T35 WeakPolarHBondContact O-CG2 3.44Å; I31-T35 PolarHBondContact O-N 3.47Å; I31-T35 VanDerWaalsContact O-N 3.13Å; I31-T35 PolarHBondContact O-OG1 3.24Å; I31-T35 VanDerWaalsContact O-OG1 3.13Å
32	Q	74.9	Confident	70.9	Confident	126 Å²	126	87.3 Å²	87.3	59%	0.589	47%	0.474	S	S	*	.	H	α-helix	trans	-61.3	-37.7	-178.8	-74	178.8	-8.5	0	0	112.8	E28 E29 N34 T35	E28-Q32 WeakPolarHBondContact O-CB 3.33Å; E28-Q32 WeakPolarHBondContact O-CG 3.32Å; E28-Q32 PolarHBondContact O-N 3.43Å; E29-Q32 PolarHBondContact O-N 2.99Å; Q32-N34 VanDerWaalsContact C-N 3.31Å; Q32-N34 PolarHBondContact O-N 2.91Å; Q32-T35 WeakPolarHBondContact CA-OG1 3.09Å; Q32-T35 PolarHBondContact O-N 3.35Å; Q32-T35 PolarHBondContact O-OG1 3.39Å
33	N	73.9	Confident	70	Confident	98 Å²	98	87.3 Å²	87.3	52%	0.524	47%	0.468	S	S	.	.	H	α-helix	trans	-71.2	-23.4	179	-72.6	-21	0	0	0	113.8	E29 I31 E54	E29-N33 VanDerWaalsContact O-CB 3.29Å; E29-N33 WeakPolarHBondContact O-CB 3.31Å; E29-N33 PolarHBondContact O-N 3.04Å; E29-N33 PolarHBondContact O-ND2 3.26Å; I31-N33 VanDerWaalsContact C-N 3.31Å; I31-N33 PolarHBondContact O-N 2.85Å; N33-E54 WeakPolarHBondContact O-CB 3.45Å; N33-E54 WeakPolarHBondContact O-CG 3.26Å
34	N	68	Low	69.8	Low	44 Å²	44	90.5 Å²	90.5	24%	0.235	49%	0.485	C	S	.	.	H	α-helix	trans	-93.2	-19.5	179.6	-65.5	-19.2	0	0	0	112.1	T30 I31 Q32 A51 E54 W55	T30-N34 PolarHBondContact O-N 3.29Å; T30-N34 PolarHBondContact O-ND2 3.11Å; T30-N34 VanDerWaalsContact O-ND2 3.16Å; I31-N34 PolarHBondContact O-N 2.76Å; I31-N34 VanDerWaalsContact O-N 3.17Å; Q32-N34 VanDerWaalsContact C-N 3.31Å; Q32-N34 PolarHBondContact O-N 2.91Å; N34-A51 CarbonylContact O-C 3.52Å; N34-E54 WeakPolarHBondContact O-CB 3.37Å; N34-E54 PolarHBondContact O-N 3.17Å; N34-W55 HydrophobicContact CB-CB 4.25Å
35	T	63.2	Low	69.8	Low	36 Å²	36	94 Å²	94	22%	0.221	50%	0.5	C	S	.	.	S	Bend	trans	-86.6	131.8	-179.8	50.2	0	0	0	0	112.5	I31 Q32 N37 T50	I31-T35 HydrophobicContact CG2-CG2 4.41Å; I31-T35 WeakPolarHBondContact O-CG2 3.44Å; I31-T35 PolarHBondContact O-N 3.47Å; I31-T35 VanDerWaalsContact O-N 3.13Å; I31-T35 PolarHBondContact O-OG1 3.24Å; I31-T35 VanDerWaalsContact O-OG1 3.13Å; Q32-T35 WeakPolarHBondContact CA-OG1 3.09Å; Q32-T35 PolarHBondContact O-N 3.35Å; Q32-T35 PolarHBondContact O-OG1 3.39Å; T35-N37 PolarHBondContact O-N 2.89Å; T35-T50 WeakPolarHBondContact CA-O 3.32Å
36	N	63.5	Low	69.7	Low	11 Å²	11	91.5 Å²	91.5	6%	0.059	49%	0.493	C	S	.	.			trans	-71	116	166.5	-81.2	-45.4	0	0	0	109.2	S38 E49 T50 G53 E54 K57	N36-S38 PolarHBondContact O-N 2.87Å; N36-E49 VanDerWaalsContact ND2-CD 3.32Å; N36-E49 PolarHBondContact ND2-O 3.43Å; N36-E49 PolarHBondContact ND2-OE1 3.19Å; N36-T50 PolarHBondContact N-O 2.88Å; N36-T50 VanDerWaalsContact N-O 3.13Å; N36-G53 WeakPolarHBondContact ND2-CA 3.31Å; N36-E54 PolarHBondContact OD1-OE2 2.96Å; N36-E54 VanDerWaalsContact OD1-OE2 3.13Å; N36-K57 PolarHBondContact OD1-NZ 2.88Å
37	N	62.7	Low	69.9	Low	153 Å²	153	94.2 Å²	94.2	82%	0.818	50%	0.501	S	S	*	.			trans	-66.9	13	177.1	-84	-24.3	0	0	0	114.6	T35 H39	T35-N37 PolarHBondContact O-N 2.89Å; N37-H39 PolarHBondContact O-N 3.46Å
38	S	56.1	Low	70.2	Confident	61 Å²	61	95.4 Å²	95.4	43%	0.427	50%	0.499	S	S	.	.	S	Bend	trans	-75	95.5	175.9	57.1	0	0	0	0	110	N36	N36-S38 PolarHBondContact O-N 2.87Å
39	H	55.5	Low	70.4	Confident	152 Å²	152	92.6 Å²	92.6	70%	0.704	49%	0.486	S	S	*	.			trans	36.2	115.6	161.1	-145.7	-94.3	0	0	0	116.2	N37 S41 N42	N37-H39 PolarHBondContact O-N 3.46Å; H39-S41 PolarHBondContact ND1-OG 2.85Å; H39-S41 PolarHBondContact O-N 3.3Å; H39-S41 PolarHBondContact O-OG 3.25Å; H39-N42 PolarHBondContact O-N 3.45Å
40	V	56.8	Low	70.5	Confident	113 Å²	113	87.3 Å²	87.3	69%	0.685	46%	0.462	S	S	*	.	G	3₁₀ helix	trans	-39.5	-24.3	179.6	175.9	0	0	0	0	115.5	N42 H43	V40-N42 PolarHBondContact O-N 2.9Å; V40-H43 PolarHBondContact O-N 2.6Å; V40-H43 PolarHBondContact O-ND1 3.29Å; V40-H43 VanDerWaalsContact O-ND1 3.15Å
41	S	54.5	Low	70.7	Confident	74 Å²	74	85.7 Å²	85.7	52%	0.517	46%	0.455	S	S	.	.	G	3₁₀ helix	trans	-59.9	-23.8	172.3	50.3	0	0	0	0	115.3	H39	H39-S41 PolarHBondContact ND1-OG 2.85Å; H39-S41 PolarHBondContact O-N 3.3Å; H39-S41 PolarHBondContact O-OG 3.25Å
42	N	62.2	Low	71.2	Confident	52 Å²	52	83.3 Å²	83.3	28%	0.278	45%	0.446	S	S	.	.	G	3₁₀ helix	trans	-82.1	-18.4	-178.5	-141.6	28.9	0	0	0	113.5	H39 V40 C44 I45 D46	H39-N42 PolarHBondContact O-N 3.45Å; V40-N42 PolarHBondContact O-N 2.9Å; N42-C44 PolarHBondContact O-N 3.48Å; N42-I45 PolarHBondContact O-N 3.25Å; N42-D46 PolarHBondContact O-N 3.09Å
43	H	66.6	Low	71.6	Confident	81 Å²	81	77.3 Å²	77.3	38%	0.375	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-34.3	178.1	-65.6	133.4	0	0	0	113.2	V40 T50	V40-H43 PolarHBondContact O-N 2.6Å; V40-H43 PolarHBondContact O-ND1 3.29Å; V40-H43 VanDerWaalsContact O-ND1 3.15Å; H43-T50 VanDerWaalsContact CD2-CB 3.49Å; H43-T50 WeakPolarHBondContact CD2-CB 3.31Å; H43-T50 WeakPolarHBondContact CD2-CG2 3.29Å; H43-T50 WeakPolarHBondContact NE2-CG2 3.25Å
44	C	75.7	Confident	72.1	Confident	126 Å²	126	75.6 Å²	75.6	85%	0.851	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-16.4	-179.1	-62.5	0	0	0	0	113.2	N42	N42-C44 PolarHBondContact O-N 3.48Å
45	I	81.7	Confident	73	Confident	138 Å²	138	74.8 Å²	74.8	71%	0.708	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-51.8	-177.1	-59.7	174.1	0	0	0	109.2	N42	N42-I45 PolarHBondContact O-N 3.25Å
46	D	81.7	Confident	74	Confident	71 Å²	71	77.2 Å²	77.2	38%	0.38	41%	0.409	S	S	.	.			trans	-140.3	89.1	179.5	-165.5	-22.1	0	0	0	109.8	N42 Y48 E49 T50	N42-D46 PolarHBondContact O-N 3.09Å; D46-Y48 PolarHBondContact O-N 3.23Å; D46-Y48 WeakPolarHBondContact OD1-CA 3.15Å; D46-Y48 WeakPolarHBondContact OD1-CB 3.11Å; D46-Y48 PolarHBondContact OD1-N 3.16Å; D46-E49 HydrophobicContact CB-CB 4.05Å; D46-E49 PolarHBondContact OD1-N 3.24Å; D46-T50 PolarHBondContact O-N 2.72Å; D46-T50 VanDerWaalsContact O-N 3.15Å; D46-T50 PolarHBondContact O-OG1 3.3Å
47	F	85.3	Confident	75	Confident	149 Å²	149	82.6 Å²	82.6	65%	0.654	43%	0.432	S	S	*	.	H	α-helix	trans	-62.1	-33	175.6	179.6	-101.7	0	0	0	111.5	T50 A51	F47-T50 PolarHBondContact O-N 2.85Å; F47-A51 HydrophobicContact CE1-CB 4.26Å; F47-A51 HydrophobicContact CZ-CB 4.26Å; F47-A51 WeakPolarHBondContact O-CB 3.5Å; F47-A51 PolarHBondContact O-N 2.72Å
48	Y	85.2	Confident	76.1	Confident	131 Å²	131	80.3 Å²	80.3	51%	0.514	42%	0.419	S	S	.	.	H	α-helix	trans	-68.5	-51.6	-179	-177.2	-95.4	0	0	0	111.1	D46 T50 A51 C52 E56	D46-Y48 PolarHBondContact O-N 3.23Å; D46-Y48 WeakPolarHBondContact OD1-CA 3.15Å; D46-Y48 WeakPolarHBondContact OD1-CB 3.11Å; D46-Y48 PolarHBondContact OD1-N 3.16Å; Y48-T50 PolarHBondContact O-N 3.05Å; Y48-A51 PolarHBondContact O-N 2.82Å; Y48-C52 HydrophobicContact CE1-CB 4.41Å; Y48-C52 HydrophobicContact CE2-CB 4.24Å; Y48-C52 WeakPolarHBondContact O-CB 3.15Å; Y48-C52 PolarHBondContact O-N 3.02Å; Y48-E56 VanDerWaalsContact CE1-OE1 3.3Å; Y48-E56 WeakPolarHBondContact CE1-OE1 3.49Å; Y48-E56 PolarHBondContact OH-OE1 3.47Å
49	E	83	Confident	77.5	Confident	59 Å²	59	78.5 Å²	78.5	28%	0.276	41%	0.405	S	S	.	.	H	α-helix	trans	-59.8	-37.1	177.2	176	58.5	-166.2	0	0	111.1	N36 D46 G53	N36-E49 VanDerWaalsContact ND2-CD 3.32Å; N36-E49 PolarHBondContact ND2-O 3.43Å; N36-E49 PolarHBondContact ND2-OE1 3.19Å; D46-E49 HydrophobicContact CB-CB 4.05Å; D46-E49 PolarHBondContact OD1-N 3.24Å; E49-G53 VanDerWaalsContact O-CA 3.27Å; E49-G53 WeakPolarHBondContact O-CA 3.21Å; E49-G53 PolarHBondContact O-N 2.96Å; E49-G53 WeakPolarHBondContact OE2-CA 3.33Å
50	T	80.1	Confident	78.8	Confident	2 Å²	2	75.8 Å²	75.8	1%	0.012	40%	0.401	C	S	.	.	H	α-helix	trans	-73.6	-36.3	179.7	-44.3	0	0	0	0	112.6	T35 N36 H43 D46 F47 Y48	T35-T50 WeakPolarHBondContact CA-O 3.32Å; N36-T50 PolarHBondContact N-O 2.88Å; N36-T50 VanDerWaalsContact N-O 3.13Å; H43-T50 VanDerWaalsContact CD2-CB 3.49Å; H43-T50 WeakPolarHBondContact CD2-CB 3.31Å; H43-T50 WeakPolarHBondContact CD2-CG2 3.29Å; H43-T50 WeakPolarHBondContact NE2-CG2 3.25Å; D46-T50 PolarHBondContact O-N 2.72Å; D46-T50 VanDerWaalsContact O-N 3.15Å; D46-T50 PolarHBondContact O-OG1 3.3Å; F47-T50 PolarHBondContact O-N 2.85Å; Y48-T50 PolarHBondContact O-N 3.05Å
51	A	79.3	Confident	79.9	Confident	30 Å²	30	75.3 Å²	75.3	25%	0.248	39%	0.394	C	S	.	.	H	α-helix	trans	-82.8	-27.5	-179	0	0	0	0	0	114.2	N34 F47 Y48	N34-A51 CarbonylContact O-C 3.52Å; F47-A51 HydrophobicContact CE1-CB 4.26Å; F47-A51 HydrophobicContact CZ-CB 4.26Å; F47-A51 WeakPolarHBondContact O-CB 3.5Å; F47-A51 PolarHBondContact O-N 2.72Å; Y48-A51 PolarHBondContact O-N 2.82Å
52	C	85.1	Confident	80.9	Confident	42 Å²	42	74.6 Å²	74.6	28%	0.284	39%	0.388	S	S	.	.	H	α-helix	trans	-128.6	-14.4	-170.1	-63.8	0	0	0	0	114.5	Y48 E54 W55 E56	Y48-C52 HydrophobicContact CE1-CB 4.41Å; Y48-C52 HydrophobicContact CE2-CB 4.24Å; Y48-C52 WeakPolarHBondContact O-CB 3.15Å; Y48-C52 PolarHBondContact O-N 3.02Å; C52-E54 VanDerWaalsContact C-N 3.28Å; C52-E54 PolarHBondContact O-N 3.29Å; C52-W55 CarbonylContact O-C 3.58Å; C52-W55 WeakPolarHBondContact O-CA 3.23Å; C52-W55 VanDerWaalsContact O-CB 3.26Å; C52-W55 WeakPolarHBondContact O-CB 3.31Å; C52-W55 PolarHBondContact O-N 2.87Å; C52-E56 PolarHBondContact O-N 3.2Å
53	G	83.2	Confident	81.4	Confident	1 Å²	1	82.3 Å²	82.3	1%	0.01	42%	0.418	C	S	.	.	H	α-helix	trans	-63.9	-30.3	-170.4	0	0	0	0	0	114	N36 E49 E56 K57	N36-G53 WeakPolarHBondContact ND2-CA 3.31Å; E49-G53 VanDerWaalsContact O-CA 3.27Å; E49-G53 WeakPolarHBondContact O-CA 3.21Å; E49-G53 PolarHBondContact O-N 2.96Å; E49-G53 WeakPolarHBondContact OE2-CA 3.33Å; G53-E56 PolarHBondContact O-N 3.45Å; G53-K57 VanDerWaalsContact O-CG 3.31Å; G53-K57 WeakPolarHBondContact O-CG 3.46Å; G53-K57 PolarHBondContact O-N 2.96Å; G53-K57 VanDerWaalsContact O-N 3.16Å
54	E	85.2	Confident	81.6	Confident	61 Å²	61	86 Å²	86	29%	0.285	44%	0.441	S	S	.	.	H	α-helix	trans	-72.7	-35.8	172.4	-165.4	64.2	-166.6	0	0	111.3	N33 N34 N36 C52 E56 K57 L58	N33-E54 WeakPolarHBondContact O-CB 3.45Å; N33-E54 WeakPolarHBondContact O-CG 3.26Å; N34-E54 WeakPolarHBondContact O-CB 3.37Å; N34-E54 PolarHBondContact O-N 3.17Å; N36-E54 PolarHBondContact OD1-OE2 2.96Å; N36-E54 VanDerWaalsContact OD1-OE2 3.13Å; C52-E54 VanDerWaalsContact C-N 3.28Å; C52-E54 PolarHBondContact O-N 3.29Å; E54-E56 VanDerWaalsContact C-N 3.35Å; E54-E56 PolarHBondContact O-N 3.38Å; E54-K57 PolarHBondContact O-N 2.99Å; E54-K57 IonicContact OE2-NZ 3.27Å; E54-L58 HydrophobicContact CG-CD1 4.15Å; E54-L58 WeakPolarHBondContact O-CB 3.26Å; E54-L58 VanDerWaalsContact O-CG 3.31Å; E54-L58 WeakPolarHBondContact O-CG 3.2Å; E54-L58 PolarHBondContact O-N 3.26Å
55	W	86.6	Confident	81.2	Confident	28 Å²	28	83.3 Å²	83.3	11%	0.106	42%	0.418	C	S	.	.	H	α-helix	trans	-61.8	-42.4	172.8	-173.8	93.8	0	0	0	111.4	N34 C52 L58 N59 L68 T69	N34-W55 HydrophobicContact CB-CB 4.25Å; C52-W55 CarbonylContact O-C 3.58Å; C52-W55 WeakPolarHBondContact O-CA 3.23Å; C52-W55 VanDerWaalsContact O-CB 3.26Å; C52-W55 WeakPolarHBondContact O-CB 3.31Å; C52-W55 PolarHBondContact O-N 2.87Å; W55-L58 PolarHBondContact O-N 3.45Å; W55-N59 VanDerWaalsContact CD1-ND2 3.31Å; W55-N59 HydrophobicContact CD2-CB 4.35Å; W55-N59 HydrophobicContact CE3-CB 4.42Å; W55-N59 HydrophobicContact CH2-CB 4.27Å; W55-N59 HydrophobicContact CZ2-CB 4.24Å; W55-N59 HydrophobicContact CZ3-CB 4.38Å; W55-N59 PolarHBondContact NE1-ND2 3.21Å; W55-N59 WeakPolarHBondContact O-CB 3.42Å; W55-N59 VanDerWaalsContact O-CG 3.29Å; W55-N59 PolarHBondContact O-N 3.42Å; W55-N59 PolarHBondContact O-ND2 3.35Å; W55-L68 HydrophobicContact CH2-CG 4.17Å; W55-L68 WeakPolarHBondContact CH2-O 3.44Å; W55-L68 WeakPolarHBondContact CZ3-O 3.3Å; W55-T69 VanDerWaalsContact CH2-C 3.5Å
56	E	83.3	Confident	80.8	Confident	87 Å²	87	81.8 Å²	81.8	41%	0.407	43%	0.426	S	S	.	.	H	α-helix	trans	-63.1	-42.6	176.8	-67	-166.2	157.5	0	0	112.1	Y48 C52 G53 E54 L58 N59	Y48-E56 VanDerWaalsContact CE1-OE1 3.3Å; Y48-E56 WeakPolarHBondContact CE1-OE1 3.49Å; Y48-E56 PolarHBondContact OH-OE1 3.47Å; C52-E56 PolarHBondContact O-N 3.2Å; G53-E56 PolarHBondContact O-N 3.45Å; E54-E56 VanDerWaalsContact C-N 3.35Å; E54-E56 PolarHBondContact O-N 3.38Å; E56-L58 PolarHBondContact O-N 3.02Å; E56-N59 CarbonylContact O-C 3.41Å; E56-N59 PolarHBondContact O-N 2.84Å
57	K	84.3	Confident	80.6	Confident	124 Å²	124	81 Å²	81	54%	0.539	43%	0.426	S	S	.	.	H	α-helix	trans	-62.1	-42.4	176.7	-71	169.4	-166.7	163.3	0	112.7	N36 G53 E54 N59	N36-K57 PolarHBondContact OD1-NZ 2.88Å; G53-K57 VanDerWaalsContact O-CG 3.31Å; G53-K57 WeakPolarHBondContact O-CG 3.46Å; G53-K57 PolarHBondContact O-N 2.96Å; G53-K57 VanDerWaalsContact O-N 3.16Å; E54-K57 PolarHBondContact O-N 2.99Å; E54-K57 IonicContact OE2-NZ 3.27Å; K57-N59 VanDerWaalsContact C-N 3.27Å; K57-N59 PolarHBondContact O-N 2.88Å
58	L	86.1	Confident	80.5	Confident	104 Å²	104	75 Å²	75	55%	0.545	40%	0.401	S	S	.	.	H	α-helix	trans	-76	-16.2	-179.8	-68	174.6	0	0	0	112.9	E54 W55 E56 P60	E54-L58 HydrophobicContact CG-CD1 4.15Å; E54-L58 WeakPolarHBondContact O-CB 3.26Å; E54-L58 VanDerWaalsContact O-CG 3.31Å; E54-L58 WeakPolarHBondContact O-CG 3.2Å; E54-L58 PolarHBondContact O-N 3.26Å; W55-L58 PolarHBondContact O-N 3.45Å; E56-L58 PolarHBondContact O-N 3.02Å; L58-P60 VanDerWaalsContact C-CD 3.43Å; L58-P60 WeakPolarHBondContact O-CD 3.4Å
59	N	85.3	Confident	80.4	Confident	24 Å²	24	71.5 Å²	71.5	13%	0.128	39%	0.393	C	S	.	.	S	Bend	trans	-129.5	61.5	-172.1	-54.9	-61	0	0	0	111.8	W55 E56 K57 L68 R73	W55-N59 VanDerWaalsContact CD1-ND2 3.31Å; W55-N59 HydrophobicContact CD2-CB 4.35Å; W55-N59 HydrophobicContact CE3-CB 4.42Å; W55-N59 HydrophobicContact CH2-CB 4.27Å; W55-N59 HydrophobicContact CZ2-CB 4.24Å; W55-N59 HydrophobicContact CZ3-CB 4.38Å; W55-N59 PolarHBondContact NE1-ND2 3.21Å; W55-N59 WeakPolarHBondContact O-CB 3.42Å; W55-N59 VanDerWaalsContact O-CG 3.29Å; W55-N59 PolarHBondContact O-N 3.42Å; W55-N59 PolarHBondContact O-ND2 3.35Å; E56-N59 CarbonylContact O-C 3.41Å; E56-N59 PolarHBondContact O-N 2.84Å; K57-N59 VanDerWaalsContact C-N 3.27Å; K57-N59 PolarHBondContact O-N 2.88Å; N59-L68 HydrophobicContact CB-CD2 4.22Å; N59-R73 VanDerWaalsContact CG-NH1 3.3Å; N59-R73 PolarHBondContact OD1-NH1 3.42Å; N59-R73 PolarHBondContact OD1-NH2 3.13Å
60	P	82.9	Confident	80.6	Confident	94 Å²	94	72.8 Å²	72.8	61%	0.61	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-60	144.7	179.5	27.1	-35.3	0	0	0	110.9	L58 P62	L58-P60 VanDerWaalsContact C-CD 3.43Å; L58-P60 WeakPolarHBondContact O-CD 3.4Å; P60-P62 WeakPolarHBondContact O-CD 3.34Å
61	L	80.6	Confident	80.9	Confident	103 Å²	103	79.4 Å²	79.4	54%	0.539	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-58.1	126	177.3	-65.8	176.1	0	0	0	110.3	L68	L61-L68 HydrophobicContact CD2-CB 3.75Å
62	P	75.9	Confident	81.3	Confident	60 Å²	60	81.5 Å²	81.5	39%	0.39	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-56.6	146.5	165.4	-23.4	34.9	0	0	0	109.8	P60 D64 D65	P60-P62 WeakPolarHBondContact O-CD 3.34Å; P62-D64 PolarHBondContact O-N 2.8Å; P62-D65 HydrophobicContact CB-CB 4.26Å; P62-D65 HydrophobicContact CG-CB 4.36Å; P62-D65 VanDerWaalsContact CG-OD2 3.3Å; P62-D65 WeakPolarHBondContact CG-OD2 2.93Å; P62-D65 PolarHBondContact O-N 2.75Å; P62-D65 VanDerWaalsContact O-N 3.08Å
63	K	72.8	Confident	81.4	Confident	213 Å²	213	83.6 Å²	83.6	93%	0.926	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-23.7	-173	-70.4	-176.3	178.2	-179.6	0	114.7
64	D	71	Confident	81.7	Confident	158 Å²	158	89.4 Å²	89.4	85%	0.845	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.8	-4.2	-173.5	-56.8	-41.5	0	0	0	113.5	P62	P62-D64 PolarHBondContact O-N 2.8Å
65	D	67.6	Low	82	Confident	70 Å²	70	88 Å²	88	37%	0.374	48%	0.476	S	S	.	.			trans	-99.8	130	-176.3	-74.2	-29.8	0	0	0	111.4	P62 S67	P62-D65 HydrophobicContact CB-CB 4.26Å; P62-D65 HydrophobicContact CG-CB 4.36Å; P62-D65 VanDerWaalsContact CG-OD2 3.3Å; P62-D65 WeakPolarHBondContact CG-OD2 2.93Å; P62-D65 PolarHBondContact O-N 2.75Å; P62-D65 VanDerWaalsContact O-N 3.08Å; D65-S67 VanDerWaalsContact C-N 3.29Å; D65-S67 PolarHBondContact O-N 3.12Å
66	A	72.2	Confident	82.2	Confident	106 Å²	106	91.1 Å²	91.1	88%	0.876	49%	0.493	S	S	*	.	S	Bend	trans	-69.8	-26.4	178.4	0	0	0	0	0	113.2
67	S	77.1	Confident	82.6	Confident	54 Å²	54	91.8 Å²	91.8	38%	0.378	50%	0.5	S	S	.	.			trans	-160.4	148.8	176.1	72.1	0	0	0	0	110.4	D65 Q72	D65-S67 VanDerWaalsContact C-N 3.29Å; D65-S67 PolarHBondContact O-N 3.12Å; S67-Q72 PolarHBondContact O-NE2 3.09Å; S67-Q72 VanDerWaalsContact O-NE2 3.13Å; S67-Q72 PolarHBondContact O-OE1 3.25Å; S67-Q72 PolarHBondContact OG-NE2 2.8Å; S67-Q72 VanDerWaalsContact OG-NE2 3.07Å; S67-Q72 PolarHBondContact OG-OE1 2.68Å; S67-Q72 VanDerWaalsContact OG-OE1 3.11Å
68	L	82.8	Confident	83.1	Confident	23 Å²	23	88.9 Å²	88.9	12%	0.12	49%	0.492	C	S	.	.			trans	-125.2	120.9	166.8	-173.6	64	0	0	0	107.4	W55 N59 L61 Q72 M76	W55-L68 HydrophobicContact CH2-CG 4.17Å; W55-L68 WeakPolarHBondContact CH2-O 3.44Å; W55-L68 WeakPolarHBondContact CZ3-O 3.3Å; N59-L68 HydrophobicContact CB-CD2 4.22Å; L61-L68 HydrophobicContact CD2-CB 3.75Å; L68-Q72 VanDerWaalsContact CA-OE1 3.3Å; L68-M76 HydrophobicContact CD1-CE 4.27Å; L68-M76 HydrophobicContact CD1-SD 4.45Å
69	T	84.8	Confident	83.5	Confident	59 Å²	59	89 Å²	89	36%	0.362	49%	0.493	S	S	.	.			trans	-123.8	162.8	177.3	59.4	0	0	0	0	109.8	W55 L71 Q72 R73	W55-T69 VanDerWaalsContact CH2-C 3.5Å; T69-L71 PolarHBondContact O-N 2.86Å; T69-Q72 PolarHBondContact O-N 2.89Å; T69-Q72 VanDerWaalsContact O-N 3.12Å; T69-Q72 WeakPolarHBondContact OG1-CG 3.19Å; T69-Q72 PolarHBondContact OG1-N 3.38Å; T69-Q72 PolarHBondContact OG1-OE1 3.47Å; T69-R73 PolarHBondContact O-N 3.19Å
70	T	85.6	Confident	83.9	Confident	85 Å²	85	91.1 Å²	91.1	52%	0.521	50%	0.504	S	S	.	.	H	α-helix	trans	-55.4	-36.8	173.5	-53.5	0	0	0	0	112.1	R73 M74	T70-R73 PolarHBondContact O-N 3.28Å; T70-M74 WeakPolarHBondContact O-CB 3.27Å; T70-M74 PolarHBondContact O-N 3.46Å
71	L	87.7	Confident	84.5	Confident	141 Å²	141	93.8 Å²	93.8	74%	0.738	50%	0.503	S	S	*	.	H	α-helix	trans	-67.5	-43.1	176.6	-67.1	177.3	0	0	0	112.2	T69 M74 G75	T69-L71 PolarHBondContact O-N 2.86Å; L71-M74 PolarHBondContact O-N 3.13Å; L71-G75 PolarHBondContact O-N 2.91Å
72	Q	87.4	Confident	85.1	Confident	74 Å²	74	94.2 Å²	94.2	35%	0.346	50%	0.501	S	S	.	.	H	α-helix	trans	-62.7	-43.1	175.2	-75.7	166.9	-54.6	0	0	111.3	S67 L68 T69 M74 G75 M76	S67-Q72 PolarHBondContact O-NE2 3.09Å; S67-Q72 VanDerWaalsContact O-NE2 3.13Å; S67-Q72 PolarHBondContact O-OE1 3.25Å; S67-Q72 PolarHBondContact OG-NE2 2.8Å; S67-Q72 VanDerWaalsContact OG-NE2 3.07Å; S67-Q72 PolarHBondContact OG-OE1 2.68Å; S67-Q72 VanDerWaalsContact OG-OE1 3.11Å; L68-Q72 VanDerWaalsContact CA-OE1 3.3Å; T69-Q72 PolarHBondContact O-N 2.89Å; T69-Q72 VanDerWaalsContact O-N 3.12Å; T69-Q72 WeakPolarHBondContact OG1-CG 3.19Å; T69-Q72 PolarHBondContact OG1-N 3.38Å; T69-Q72 PolarHBondContact OG1-OE1 3.47Å; Q72-M74 VanDerWaalsContact C-N 3.32Å; Q72-M74 PolarHBondContact O-N 2.89Å; Q72-G75 WeakPolarHBondContact O-CA 3.49Å; Q72-G75 PolarHBondContact O-N 2.9Å; Q72-G75 VanDerWaalsContact O-N 3.15Å; Q72-M76 WeakPolarHBondContact O-CG 3.5Å; Q72-M76 PolarHBondContact O-N 2.79Å
73	R	86.8	Confident	85.9	Confident	87 Å²	87	97.3 Å²	97.3	33%	0.328	51%	0.505	S	S	.	.	H	α-helix	trans	-59.9	-42.6	174.4	177	169.2	-67.4	-170.9	-3	112.3	N59 T69 T70 G75 M76 N77	N59-R73 VanDerWaalsContact CG-NH1 3.3Å; N59-R73 PolarHBondContact OD1-NH1 3.42Å; N59-R73 PolarHBondContact OD1-NH2 3.13Å; T69-R73 PolarHBondContact O-N 3.19Å; T70-R73 PolarHBondContact O-N 3.28Å; R73-G75 VanDerWaalsContact C-N 3.33Å; R73-M76 PolarHBondContact O-N 3.34Å; R73-N77 PolarHBondContact O-N 3.05Å
74	M	89.7	Confident	86.9	Confident	123 Å²	123	92.3 Å²	92.3	61%	0.606	48%	0.483	S	S	*	.	H	α-helix	trans	-61.8	-43.3	174.9	-172.2	177.6	179.1	0	0	111.1	T70 L71 Q72 N77 V78	T70-M74 WeakPolarHBondContact O-CB 3.27Å; T70-M74 PolarHBondContact O-N 3.46Å; L71-M74 PolarHBondContact O-N 3.13Å; Q72-M74 VanDerWaalsContact C-N 3.32Å; Q72-M74 PolarHBondContact O-N 2.89Å; M74-N77 WeakPolarHBondContact O-CB 3.41Å; M74-N77 PolarHBondContact O-N 3.32Å; M74-V78 WeakPolarHBondContact O-CG2 3.36Å; M74-V78 PolarHBondContact O-N 2.74Å
75	G	91.8	Very high	87.9	Confident	30 Å²	30	86.2 Å²	86.2	31%	0.309	45%	0.451	S	S	.	.	H	α-helix	trans	-55.7	-50.1	172.9	0	0	0	0	0	112.4	L71 Q72 R73 N77 V78 D79	L71-G75 PolarHBondContact O-N 2.91Å; Q72-G75 WeakPolarHBondContact O-CA 3.49Å; Q72-G75 PolarHBondContact O-N 2.9Å; Q72-G75 VanDerWaalsContact O-N 3.15Å; R73-G75 VanDerWaalsContact C-N 3.33Å; G75-N77 VanDerWaalsContact C-N 3.29Å; G75-N77 PolarHBondContact O-N 3.34Å; G75-V78 WeakPolarHBondContact O-CB 3.48Å; G75-V78 PolarHBondContact O-N 3.45Å; G75-V78 VanDerWaalsContact O-N 3.09Å; G75-D79 PolarHBondContact O-N 3.03Å
76	M	90.3	Very high	89.1	Confident	94 Å²	94	84.7 Å²	84.7	46%	0.463	44%	0.442	S	S	.	.	H	α-helix	trans	-58.6	-38.3	176.7	-67.9	173.4	177.4	0	0	112.8	L68 Q72 R73 D79 N80	L68-M76 HydrophobicContact CD1-CE 4.27Å; L68-M76 HydrophobicContact CD1-SD 4.45Å; Q72-M76 WeakPolarHBondContact O-CG 3.5Å; Q72-M76 PolarHBondContact O-N 2.79Å; R73-M76 PolarHBondContact O-N 3.34Å; M76-D79 PolarHBondContact O-N 3.19Å; M76-N80 VanDerWaalsContact O-CB 3.31Å; M76-N80 WeakPolarHBondContact O-CB 3.3Å; M76-N80 PolarHBondContact O-N 2.93Å
77	N	92.3	Very high	90	Very high	102 Å²	102	81.8 Å²	81.8	55%	0.545	42%	0.418	S	S	.	.	H	α-helix	trans	-66.3	-40.3	176.3	-74.7	-22.8	0	0	0	112.1	R73 M74 G75 Y81	R73-N77 PolarHBondContact O-N 3.05Å; M74-N77 WeakPolarHBondContact O-CB 3.41Å; M74-N77 PolarHBondContact O-N 3.32Å; G75-N77 VanDerWaalsContact C-N 3.29Å; G75-N77 PolarHBondContact O-N 3.34Å; N77-Y81 PolarHBondContact O-N 2.85Å
78	V	95.4	Very high	90.6	Very high	63 Å²	63	82.4 Å²	82.4	38%	0.382	42%	0.417	S	S	.	.	H	α-helix	trans	-65.6	-45.2	174.9	171.5	0	0	0	0	110.5	M74 G75 N80 Y81 F82	M74-V78 WeakPolarHBondContact O-CG2 3.36Å; M74-V78 PolarHBondContact O-N 2.74Å; G75-V78 WeakPolarHBondContact O-CB 3.48Å; G75-V78 PolarHBondContact O-N 3.45Å; G75-V78 VanDerWaalsContact O-N 3.09Å; V78-N80 VanDerWaalsContact C-N 3.33Å; V78-N80 PolarHBondContact O-N 3.05Å; V78-Y81 WeakPolarHBondContact O-CB 3.4Å; V78-Y81 PolarHBondContact O-N 2.99Å; V78-Y81 VanDerWaalsContact O-N 3.13Å; V78-F82 HydrophobicContact CG1-CD2 3.72Å; V78-F82 HydrophobicContact CG1-CE2 3.43Å; V78-F82 VanDerWaalsContact CG1-CE2 3.43Å; V78-F82 VanDerWaalsContact O-CD2 3.28Å; V78-F82 WeakPolarHBondContact O-CD2 3.31Å; V78-F82 PolarHBondContact O-N 3.05Å
79	D	93.4	Very high	90.8	Very high	107 Å²	107	85.2 Å²	85.2	57%	0.572	43%	0.432	S	S	*	.	H	α-helix	trans	-60.6	-42.6	176.7	-69.4	-22.1	0	0	0	111.5	G75 M76 Y81 F82 W83	G75-D79 PolarHBondContact O-N 3.03Å; M76-D79 PolarHBondContact O-N 3.19Å; D79-Y81 VanDerWaalsContact C-N 3.33Å; D79-Y81 PolarHBondContact O-N 3.08Å; D79-F82 PolarHBondContact O-N 3.41Å; D79-W83 WeakPolarHBondContact O-CB 3.39Å; D79-W83 PolarHBondContact O-N 3.38Å
80	N	94.3	Very high	90.9	Very high	67 Å²	67	86.3 Å²	86.3	36%	0.358	44%	0.442	S	S	.	.	H	α-helix	trans	-63	-38.1	175	-176.3	33.2	0	0	0	112.2	M76 V78 W83 K84	M76-N80 VanDerWaalsContact O-CB 3.31Å; M76-N80 WeakPolarHBondContact O-CB 3.3Å; M76-N80 PolarHBondContact O-N 2.93Å; V78-N80 VanDerWaalsContact C-N 3.33Å; V78-N80 PolarHBondContact O-N 3.05Å; N80-W83 PolarHBondContact O-N 3.01Å; N80-K84 WeakPolarHBondContact O-CG 3.43Å; N80-K84 PolarHBondContact O-N 3.45Å
81	Y	94.1	Very high	90.9	Very high	150 Å²	150	87.9 Å²	87.9	59%	0.588	44%	0.439	S	S	*	.	H	α-helix	trans	-62.8	-48	174.2	176.5	-96.9	0	0	0	111.5	N77 V78 D79 W83 K84 I85	N77-Y81 PolarHBondContact O-N 2.85Å; V78-Y81 WeakPolarHBondContact O-CB 3.4Å; V78-Y81 PolarHBondContact O-N 2.99Å; V78-Y81 VanDerWaalsContact O-N 3.13Å; D79-Y81 VanDerWaalsContact C-N 3.33Å; D79-Y81 PolarHBondContact O-N 3.08Å; Y81-W83 VanDerWaalsContact C-N 3.35Å; Y81-W83 PolarHBondContact O-N 3.13Å; Y81-K84 PolarHBondContact O-N 2.99Å; Y81-I85 HydrophobicContact CD1-CD1 3.88Å; Y81-I85 HydrophobicContact CE1-CD1 3.29Å; Y81-I85 HydrophobicContact CE1-CG1 4.5Å; Y81-I85 HydrophobicContact CE2-CD1 4.29Å; Y81-I85 PolarHBondContact O-N 3.27Å
82	F	93.1	Very high	90.7	Very high	112 Å²	112	89.5 Å²	89.5	49%	0.491	44%	0.437	S	S	.	.	H	α-helix	trans	-62	-42.3	175.5	-76.5	-60.3	0	0	0	112.2	V78 D79 K84 I85 I86	V78-F82 HydrophobicContact CG1-CD2 3.72Å; V78-F82 HydrophobicContact CG1-CE2 3.43Å; V78-F82 VanDerWaalsContact CG1-CE2 3.43Å; V78-F82 VanDerWaalsContact O-CD2 3.28Å; V78-F82 WeakPolarHBondContact O-CD2 3.31Å; V78-F82 PolarHBondContact O-N 3.05Å; D79-F82 PolarHBondContact O-N 3.41Å; F82-K84 VanDerWaalsContact C-N 3.33Å; F82-K84 PolarHBondContact O-N 3.29Å; F82-I85 PolarHBondContact O-N 3.08Å; F82-I85 VanDerWaalsContact O-N 3.13Å; F82-I86 HydrophobicContact CB-CD1 4.5Å; F82-I86 WeakPolarHBondContact O-CB 3.3Å; F82-I86 VanDerWaalsContact O-CG1 3.31Å; F82-I86 WeakPolarHBondContact O-CG1 3.32Å; F82-I86 PolarHBondContact O-N 3.42Å
83	W	93.8	Very high	90.5	Very high	126 Å²	126	93.4 Å²	93.4	48%	0.477	45%	0.453	S	S	.	.	H	α-helix	trans	-56.7	-44.6	175.5	171.3	78.7	0	0	0	111.7	D79 N80 Y81 I85 I86 A87 Y105	D79-W83 WeakPolarHBondContact O-CB 3.39Å; D79-W83 PolarHBondContact O-N 3.38Å; N80-W83 PolarHBondContact O-N 3.01Å; Y81-W83 VanDerWaalsContact C-N 3.35Å; Y81-W83 PolarHBondContact O-N 3.13Å; W83-I85 VanDerWaalsContact C-N 3.29Å; W83-I85 PolarHBondContact O-N 3.44Å; W83-I86 PolarHBondContact O-N 3.49Å; W83-A87 WeakPolarHBondContact O-CB 3.18Å; W83-A87 PolarHBondContact O-N 3.11Å; W83-Y105 AromaticContact CD1-CZ 3.94Å; W83-Y105 PolarHBondContact NE1-OH 2.68Å
84	K	92.7	Very high	90.6	Very high	107 Å²	107	97.9 Å²	97.9	47%	0.465	48%	0.478	S	S	.	.	H	α-helix	trans	-59.4	-38.2	176.6	-73.8	172.6	-176.2	176.7	0	112.8	N80 Y81 F82 N88	N80-K84 WeakPolarHBondContact O-CG 3.43Å; N80-K84 PolarHBondContact O-N 3.45Å; Y81-K84 PolarHBondContact O-N 2.99Å; F82-K84 VanDerWaalsContact C-N 3.33Å; F82-K84 PolarHBondContact O-N 3.29Å; K84-N88 WeakPolarHBondContact O-CB 3.38Å; K84-N88 PolarHBondContact O-N 2.64Å
85	I	93.1	Very high	90.8	Very high	31 Å²	31	94.4 Å²	94.4	16%	0.159	46%	0.461	C	S	.	.	H	α-helix	trans	-72.8	-43	178.8	-64.4	170.5	0	0	0	111	Y81 F82 W83 L98 R102	Y81-I85 HydrophobicContact CD1-CD1 3.88Å; Y81-I85 HydrophobicContact CE1-CD1 3.29Å; Y81-I85 HydrophobicContact CE1-CG1 4.5Å; Y81-I85 HydrophobicContact CE2-CD1 4.29Å; Y81-I85 PolarHBondContact O-N 3.27Å; F82-I85 PolarHBondContact O-N 3.08Å; F82-I85 VanDerWaalsContact O-N 3.13Å; W83-I85 VanDerWaalsContact C-N 3.29Å; W83-I85 PolarHBondContact O-N 3.44Å; I85-L98 HydrophobicContact CG2-CD1 3.84Å; I85-L98 HydrophobicContact CG2-CD2 3.94Å; I85-R102 PolarHBondContact O-NE 3.47Å; I85-R102 PolarHBondContact O-NH2 3Å
86	I	93.4	Very high	90.9	Very high	37 Å²	37	102.7 Å²	102.7	19%	0.19	48%	0.483	C	S	.	.	H	α-helix	trans	-75	-43	-176.2	-66.7	171	0	0	0	110.9	F82 W83 N88 L98 R102 Y105	F82-I86 HydrophobicContact CB-CD1 4.5Å; F82-I86 WeakPolarHBondContact O-CB 3.3Å; F82-I86 VanDerWaalsContact O-CG1 3.31Å; F82-I86 WeakPolarHBondContact O-CG1 3.32Å; F82-I86 PolarHBondContact O-N 3.42Å; W83-I86 PolarHBondContact O-N 3.49Å; I86-N88 VanDerWaalsContact C-N 3.35Å; I86-N88 PolarHBondContact O-N 3.07Å; I86-L98 HydrophobicContact CG1-CD1 4.42Å; I86-R102 HydrophobicContact CG2-CG 4.16Å; I86-R102 WeakPolarHBondContact O-CD 3.14Å; I86-R102 VanDerWaalsContact O-CG 3.25Å; I86-R102 WeakPolarHBondContact O-CG 3.31Å; I86-R102 PolarHBondContact O-NE 3.04Å; I86-Y105 VanDerWaalsContact CG2-CB 3.47Å; I86-Y105 HydrophobicContact CG2-CD1 3.74Å; I86-Y105 HydrophobicContact CG2-CD2 4.21Å; I86-Y105 HydrophobicContact CG2-CG 3.54Å
87	A	90.1	Very high	91	Very high	45 Å²	45	107.3 Å²	107.3	37%	0.372	50%	0.496	S	S	.	.	H	α-helix	trans	-71.6	-28.1	-177.1	0	0	0	0	0	113.2	W83	W83-A87 WeakPolarHBondContact O-CB 3.18Å; W83-A87 PolarHBondContact O-N 3.11Å
88	N	90.3	Very high	91	Very high	68 Å²	68	103.7 Å²	103.7	36%	0.364	48%	0.476	S	S	.	.			trans	-98	108.8	-179.2	-176.2	-4.5	0	0	0	111.7	K84 I86 S90 Y91 R102	K84-N88 WeakPolarHBondContact O-CB 3.38Å; K84-N88 PolarHBondContact O-N 2.64Å; I86-N88 VanDerWaalsContact C-N 3.35Å; I86-N88 PolarHBondContact O-N 3.07Å; N88-S90 PolarHBondContact ND2-OG 3.34Å; N88-S90 PolarHBondContact O-N 3.24Å; N88-S90 VanDerWaalsContact O-N 3.14Å; N88-S90 WeakPolarHBondContact OD1-CB 3.38Å; N88-S90 PolarHBondContact OD1-N 2.86Å; N88-S90 PolarHBondContact OD1-OG 2.93Å; N88-Y91 HydrophobicContact CB-CD2 3.9Å; N88-Y91 HydrophobicContact CB-CE2 4.19Å; N88-Y91 WeakPolarHBondContact ND2-CE2 3.48Å; N88-Y91 PolarHBondContact O-N 2.88Å; N88-R102 PolarHBondContact O-NH2 3.41Å
89	D	86.7	Confident	90.9	Very high	81 Å²	81	105.3 Å²	105.3	43%	0.433	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-9.7	-179	-71.2	-26.8	0	0	0	114.1	R102 K106	D89-R102 WeakPolarHBondContact OD1-CD 3.46Å; D89-R102 IonicContact OD1-NE 3.94Å; D89-K106 VanDerWaalsContact CG-NZ 3.26Å; D89-K106 IonicContact OD1-NZ 2.92Å; D89-K106 PolarHBondContact OD1-NZ 2.9Å; D89-K106 IonicContact OD2-NZ 2.76Å; D89-K106 PolarHBondContact OD2-NZ 3.42Å
90	S	87.4	Confident	91	Very high	83 Å²	83	104 Å²	104	58%	0.58	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-28.3	-179.8	76.7	0	0	0	0	113.9	N88	N88-S90 PolarHBondContact ND2-OG 3.34Å; N88-S90 PolarHBondContact O-N 3.24Å; N88-S90 VanDerWaalsContact O-N 3.14Å; N88-S90 WeakPolarHBondContact OD1-CB 3.38Å; N88-S90 PolarHBondContact OD1-N 2.86Å; N88-S90 PolarHBondContact OD1-OG 2.93Å
91	Y	84.5	Confident	90.9	Very high	117 Å²	117	102.8 Å²	102.8	46%	0.459	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	131.4	178.8	-74.7	-77.9	0	0	0	111.1	N88 K93 R102	N88-Y91 HydrophobicContact CB-CD2 3.9Å; N88-Y91 HydrophobicContact CB-CE2 4.19Å; N88-Y91 WeakPolarHBondContact ND2-CE2 3.48Å; N88-Y91 PolarHBondContact O-N 2.88Å; Y91-K93 PolarHBondContact O-N 3.47Å; Y91-R102 PolarHBondContact O-NH1 3.29Å; Y91-R102 PolarHBondContact O-NH2 3.25Å
92	Y	83.5	Confident	90.9	Very high	175 Å²	175	96.1 Å²	96.1	69%	0.686	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	41.7	49.4	172.4	-56.3	-75.5	0	0	0	113.4	E94 D95 L98	Y92-E94 PolarHBondContact O-N 2.96Å; Y92-D95 PolarHBondContact O-N 2.91Å; Y92-L98 HydrophobicContact CD2-CD2 4.46Å
93	K	84.5	Confident	90.8	Very high	157 Å²	157	93.7 Å²	93.7	68%	0.683	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-27.3	-173.5	-173.4	177	177.3	-177.3	0	113	Y91 Q99	Y91-K93 PolarHBondContact O-N 3.47Å; K93-Q99 PolarHBondContact O-NE2 3.34Å
94	E	89.5	Confident	90.7	Very high	181 Å²	181	94.6 Å²	94.6	85%	0.846	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-11.9	-178.3	-61.5	177.3	-176	0	0	114.3	Y92 R96	Y92-E94 PolarHBondContact O-N 2.96Å; E94-R96 PolarHBondContact O-N 3.12Å
95	D	93.2	Very high	90.7	Very high	49 Å²	49	92.9 Å²	92.9	26%	0.262	45%	0.451	S	S	.	.			trans	-77	108.2	179.6	-168.4	-39.3	0	0	0	111.1	Y92 R97 L98 Q99	Y92-D95 PolarHBondContact O-N 2.91Å; D95-R97 VanDerWaalsContact C-N 3.28Å; D95-R97 PolarHBondContact O-N 2.89Å; D95-R97 WeakPolarHBondContact OD1-CA 3.48Å; D95-R97 VanDerWaalsContact OD1-CB 3.25Å; D95-R97 WeakPolarHBondContact OD1-CB 3.5Å; D95-R97 PolarHBondContact OD1-N 3.15Å; D95-R97 IonicContact OD1-NE 3.95Å; D95-R97 PolarHBondContact OD1-NE 2.99Å; D95-R97 IonicContact OD1-NH2 3.58Å; D95-R97 IonicContact OD2-CZ 3.61Å; D95-R97 IonicContact OD2-NE 3.5Å; D95-R97 IonicContact OD2-NH2 2.85Å; D95-R97 PolarHBondContact OD2-NH2 3.19Å; D95-L98 HydrophobicContact CB-CB 4.03Å; D95-L98 PolarHBondContact O-N 3.43Å; D95-L98 PolarHBondContact OD1-N 2.89Å; D95-Q99 WeakPolarHBondContact O-CG 3.49Å; D95-Q99 PolarHBondContact O-N 3.42Å
96	R	93.9	Very high	90.6	Very high	204 Å²	204	95 Å²	95	77%	0.77	46%	0.459	S	S	*	.	H	α-helix	trans	-60.4	-31.7	179.6	-65.2	-176.5	-178.4	159.2	0.6	113.9	E94 S100	E94-R96 PolarHBondContact O-N 3.12Å; R96-S100 PolarHBondContact O-N 3.22Å; R96-S100 PolarHBondContact O-OG 3.32Å
97	R	92.6	Very high	90.3	Very high	192 Å²	192	96.2 Å²	96.2	73%	0.725	47%	0.471	S	S	*	.	H	α-helix	trans	-70	-42.9	178.3	-59.3	166.8	-69.2	-171.7	0.4	109.4	D95 S100 A101	D95-R97 VanDerWaalsContact C-N 3.28Å; D95-R97 PolarHBondContact O-N 2.89Å; D95-R97 WeakPolarHBondContact OD1-CA 3.48Å; D95-R97 VanDerWaalsContact OD1-CB 3.25Å; D95-R97 WeakPolarHBondContact OD1-CB 3.5Å; D95-R97 PolarHBondContact OD1-N 3.15Å; D95-R97 IonicContact OD1-NE 3.95Å; D95-R97 PolarHBondContact OD1-NE 2.99Å; D95-R97 IonicContact OD1-NH2 3.58Å; D95-R97 IonicContact OD2-CZ 3.61Å; D95-R97 IonicContact OD2-NE 3.5Å; D95-R97 IonicContact OD2-NH2 2.85Å; D95-R97 PolarHBondContact OD2-NH2 3.19Å; R97-S100 WeakPolarHBondContact O-CB 3.4Å; R97-S100 PolarHBondContact O-N 2.98Å; R97-A101 PolarHBondContact O-N 3.26Å
98	L	92.7	Very high	90.2	Very high	26 Å²	26	98.2 Å²	98.2	14%	0.136	48%	0.481	C	S	.	.	H	α-helix	trans	-65.5	-42.8	175.3	-175.1	56.4	0	0	0	111.4	I85 I86 Y92 D95 S100 A101 R102	I85-L98 HydrophobicContact CG2-CD1 3.84Å; I85-L98 HydrophobicContact CG2-CD2 3.94Å; I86-L98 HydrophobicContact CG1-CD1 4.42Å; Y92-L98 HydrophobicContact CD2-CD2 4.46Å; D95-L98 HydrophobicContact CB-CB 4.03Å; D95-L98 PolarHBondContact O-N 3.43Å; D95-L98 PolarHBondContact OD1-N 2.89Å; L98-S100 VanDerWaalsContact C-N 3.27Å; L98-S100 PolarHBondContact O-N 3.02Å; L98-A101 PolarHBondContact O-N 3.03Å; L98-R102 HydrophobicContact CD1-CG 4.46Å; L98-R102 VanDerWaalsContact CD2-NH2 3.28Å; L98-R102 VanDerWaalsContact O-CG 3.27Å; L98-R102 WeakPolarHBondContact O-CG 3.45Å; L98-R102 PolarHBondContact O-N 2.85Å
99	Q	93.2	Very high	90	Very high	96 Å²	96	98.5 Å²	98.5	45%	0.449	49%	0.485	S	S	.	.	H	α-helix	trans	-56	-41.9	173.1	-69.6	175.2	11.6	0	0	112.3	K93 D95 R102 A103	K93-Q99 PolarHBondContact O-NE2 3.34Å; D95-Q99 WeakPolarHBondContact O-CG 3.49Å; D95-Q99 PolarHBondContact O-N 3.42Å; Q99-R102 PolarHBondContact O-N 2.98Å; Q99-A103 WeakPolarHBondContact O-CB 3.36Å; Q99-A103 PolarHBondContact O-N 2.76Å
100	S	94	Very high	89.8	Confident	80 Å²	80	99.6 Å²	99.6	56%	0.559	49%	0.491	S	S	*	.	H	α-helix	trans	-65.2	-44.8	177.6	-57.5	0	0	0	0	111.7	R96 R97 L98 R102 A103 F104	R96-S100 PolarHBondContact O-N 3.22Å; R96-S100 PolarHBondContact O-OG 3.32Å; R97-S100 WeakPolarHBondContact O-CB 3.4Å; R97-S100 PolarHBondContact O-N 2.98Å; L98-S100 VanDerWaalsContact C-N 3.27Å; L98-S100 PolarHBondContact O-N 3.02Å; S100-R102 VanDerWaalsContact C-N 3.31Å; S100-R102 PolarHBondContact O-N 3.48Å; S100-A103 PolarHBondContact O-N 2.92Å; S100-F104 WeakPolarHBondContact O-CB 3.27Å; S100-F104 PolarHBondContact O-N 3.16Å
101	A	92.9	Very high	88.9	Confident	41 Å²	41	101.6 Å²	101.6	34%	0.339	51%	0.505	S	S	.	.	H	α-helix	trans	-61.1	-39	174.9	0	0	0	0	0	112.2	R97 L98 F104 Y105	R97-A101 PolarHBondContact O-N 3.26Å; L98-A101 PolarHBondContact O-N 3.03Å; A101-F104 PolarHBondContact O-N 3.33Å; A101-Y105 WeakPolarHBondContact O-CB 3.2Å; A101-Y105 PolarHBondContact O-N 3.47Å
102	R	93.1	Very high	88.2	Confident	10 Å²	10	102.5 Å²	102.5	4%	0.038	51%	0.508	C	S	.	.	H	α-helix	trans	-65	-45.1	174.4	-69.6	-175.2	175	133.9	1.5	112.7	I85 I86 N88 D89 Y91 L98 Q99 S100 F104 Y105 K106	I85-R102 PolarHBondContact O-NE 3.47Å; I85-R102 PolarHBondContact O-NH2 3Å; I86-R102 HydrophobicContact CG2-CG 4.16Å; I86-R102 WeakPolarHBondContact O-CD 3.14Å; I86-R102 VanDerWaalsContact O-CG 3.25Å; I86-R102 WeakPolarHBondContact O-CG 3.31Å; I86-R102 PolarHBondContact O-NE 3.04Å; N88-R102 PolarHBondContact O-NH2 3.41Å; D89-R102 WeakPolarHBondContact OD1-CD 3.46Å; D89-R102 IonicContact OD1-NE 3.94Å; Y91-R102 PolarHBondContact O-NH1 3.29Å; Y91-R102 PolarHBondContact O-NH2 3.25Å; L98-R102 HydrophobicContact CD1-CG 4.46Å; L98-R102 VanDerWaalsContact CD2-NH2 3.28Å; L98-R102 VanDerWaalsContact O-CG 3.27Å; L98-R102 WeakPolarHBondContact O-CG 3.45Å; L98-R102 PolarHBondContact O-N 2.85Å; Q99-R102 PolarHBondContact O-N 2.98Å; S100-R102 VanDerWaalsContact C-N 3.31Å; S100-R102 PolarHBondContact O-N 3.48Å; R102-F104 VanDerWaalsContact C-N 3.29Å; R102-F104 PolarHBondContact O-N 3.41Å; R102-Y105 PolarHBondContact O-N 2.93Å; R102-K106 WeakPolarHBondContact O-CB 3.31Å; R102-K106 VanDerWaalsContact O-CG 3.31Å; R102-K106 WeakPolarHBondContact O-CG 3.34Å; R102-K106 PolarHBondContact O-N 2.63Å
103	A	91.9	Very high	87.5	Confident	62 Å²	62	100.2 Å²	100.2	51%	0.512	51%	0.507	S	S	.	.	H	α-helix	trans	-60.5	-43	176.2	0	0	0	0	0	110.9	Q99 S100 K106 S107	Q99-A103 WeakPolarHBondContact O-CB 3.36Å; Q99-A103 PolarHBondContact O-N 2.76Å; S100-A103 PolarHBondContact O-N 2.92Å; A103-K106 PolarHBondContact O-N 2.75Å; A103-S107 WeakPolarHBondContact O-CB 3.46Å; A103-S107 PolarHBondContact O-N 3.46Å
104	F	92.1	Very high	86.9	Confident	144 Å²	144	97 Å²	97	63%	0.632	51%	0.505	S	S	*	.	H	α-helix	trans	-59.8	-51.8	174	-178.2	-103.1	0	0	0	111.6	S100 A101 R102 K106 S107 C108	S100-F104 WeakPolarHBondContact O-CB 3.27Å; S100-F104 PolarHBondContact O-N 3.16Å; A101-F104 PolarHBondContact O-N 3.33Å; R102-F104 VanDerWaalsContact C-N 3.29Å; R102-F104 PolarHBondContact O-N 3.41Å; F104-K106 PolarHBondContact O-N 3.49Å; F104-S107 WeakPolarHBondContact O-CB 3.48Å; F104-S107 PolarHBondContact O-N 3.45Å; F104-S107 VanDerWaalsContact O-N 3.08Å; F104-S107 PolarHBondContact O-OG 2.81Å; F104-C108 PolarHBondContact O-N 2.78Å; F104-C108 PolarHBondContact O-SG 2.89Å
105	Y	91.9	Very high	85.9	Confident	72 Å²	72	93 Å²	93	28%	0.282	49%	0.489	S	S	.	.	H	α-helix	trans	-57.1	-48.5	177.2	174.5	-99.6	0	0	0	112.6	W83 I86 A101 R102 S107 C108 V109	W83-Y105 AromaticContact CD1-CZ 3.94Å; W83-Y105 PolarHBondContact NE1-OH 2.68Å; I86-Y105 VanDerWaalsContact CG2-CB 3.47Å; I86-Y105 HydrophobicContact CG2-CD1 3.74Å; I86-Y105 HydrophobicContact CG2-CD2 4.21Å; I86-Y105 HydrophobicContact CG2-CG 3.54Å; A101-Y105 WeakPolarHBondContact O-CB 3.2Å; A101-Y105 PolarHBondContact O-N 3.47Å; R102-Y105 PolarHBondContact O-N 2.93Å; Y105-S107 PolarHBondContact O-N 3.47Å; Y105-C108 WeakPolarHBondContact O-CB 3.42Å; Y105-C108 PolarHBondContact O-N 3.28Å; Y105-V109 HydrophobicContact CD1-CG2 4.18Å; Y105-V109 HydrophobicContact CD2-CG1 4.21Å; Y105-V109 HydrophobicContact CE1-CG1 4.07Å; Y105-V109 HydrophobicContact CE1-CG2 3.83Å; Y105-V109 HydrophobicContact CE2-CG1 3.65Å; Y105-V109 PolarHBondContact O-N 3.39Å
106	K	90.5	Very high	85	Confident	74 Å²	74	94.3 Å²	94.3	32%	0.322	50%	0.499	S	S	.	.	H	α-helix	trans	-58.7	-34.3	176.5	-73	175.8	-175.9	177.2	0	111.8	D89 R102 A103 F104 C108 N110	D89-K106 VanDerWaalsContact CG-NZ 3.26Å; D89-K106 IonicContact OD1-NZ 2.92Å; D89-K106 PolarHBondContact OD1-NZ 2.9Å; D89-K106 IonicContact OD2-NZ 2.76Å; D89-K106 PolarHBondContact OD2-NZ 3.42Å; R102-K106 WeakPolarHBondContact O-CB 3.31Å; R102-K106 VanDerWaalsContact O-CG 3.31Å; R102-K106 WeakPolarHBondContact O-CG 3.34Å; R102-K106 PolarHBondContact O-N 2.63Å; A103-K106 PolarHBondContact O-N 2.75Å; F104-K106 PolarHBondContact O-N 3.49Å; K106-C108 VanDerWaalsContact C-N 3.27Å; K106-C108 PolarHBondContact O-N 2.72Å; K106-N110 WeakPolarHBondContact O-CB 3.25Å; K106-N110 PolarHBondContact O-N 3.01Å; K106-N110 PolarHBondContact O-ND2 3.31Å
107	S	87.6	Confident	84.1	Confident	63 Å²	63	85.5 Å²	85.5	44%	0.441	47%	0.468	S	S	.	.	H	α-helix	trans	-67.1	-26.6	176	84.7	0	0	0	0	113.8	A103 F104 Y105	A103-S107 WeakPolarHBondContact O-CB 3.46Å; A103-S107 PolarHBondContact O-N 3.46Å; F104-S107 WeakPolarHBondContact O-CB 3.48Å; F104-S107 PolarHBondContact O-N 3.45Å; F104-S107 VanDerWaalsContact O-N 3.08Å; F104-S107 PolarHBondContact O-OG 2.81Å; Y105-S107 PolarHBondContact O-N 3.47Å
108	C	87.9	Confident	83.1	Confident	87 Å²	87	81.5 Å²	81.5	59%	0.588	45%	0.453	S	S	*	.	H	α-helix	trans	-84.4	-43.2	177.6	-61.3	0	0	0	0	112.3	F104 Y105 K106	F104-C108 PolarHBondContact O-N 2.78Å; F104-C108 PolarHBondContact O-SG 2.89Å; Y105-C108 WeakPolarHBondContact O-CB 3.42Å; Y105-C108 PolarHBondContact O-N 3.28Å; K106-C108 VanDerWaalsContact C-N 3.27Å; K106-C108 PolarHBondContact O-N 2.72Å
109	V	86.6	Confident	82.4	Confident	75 Å²	75	83.9 Å²	83.9	46%	0.455	47%	0.466	S	S	.	.	H	α-helix	trans	-88	-26.3	-173.3	-59	0	0	0	0	114.6	Y105 S111	Y105-V109 HydrophobicContact CD1-CG2 4.18Å; Y105-V109 HydrophobicContact CD2-CG1 4.21Å; Y105-V109 HydrophobicContact CE1-CG1 4.07Å; Y105-V109 HydrophobicContact CE1-CG2 3.83Å; Y105-V109 HydrophobicContact CE2-CG1 3.65Å; Y105-V109 PolarHBondContact O-N 3.39Å; V109-S111 PolarHBondContact O-N 3.27Å
110	N	82.3	Confident	81.8	Confident	103 Å²	103	81.8 Å²	81.8	55%	0.551	46%	0.462	S	S	*	.	S	Bend	trans	-67.9	111.5	179.6	-76.2	-12.8	0	0	0	109.5	K106 R112	K106-N110 WeakPolarHBondContact O-CB 3.25Å; K106-N110 PolarHBondContact O-N 3.01Å; K106-N110 PolarHBondContact O-ND2 3.31Å; N110-R112 PolarHBondContact O-N 3.32Å
111	S	68	Low	81.1	Confident	125 Å²	125	85.1 Å²	85.1	87%	0.874	46%	0.462	S	S	*	.			trans	-60.5	107.4	171.2	-173.2	0	0	0	0	108.7	V109	V109-S111 PolarHBondContact O-N 3.27Å
112	R	69.8	Low	80.4	Confident	136 Å²	136	85.4 Å²	85.4	51%	0.513	46%	0.456	S	S	.	.			trans	-87.3	146.1	175.9	-75.5	-178.7	-83.4	167.9	-9	108.8	N110 S114 T117	N110-R112 PolarHBondContact O-N 3.32Å; R112-S114 PolarHBondContact O-N 2.89Å; R112-T117 WeakPolarHBondContact CB-OG1 3.39Å; R112-T117 PolarHBondContact O-OG1 2.91Å
113	N	69.8	Low	79.9	Confident	127 Å²	127	90.2 Å²	90.2	68%	0.679	48%	0.479	S	S	*	.			trans	-48.6	132.1	172.9	-72.4	-14.1	0	0	0	110.1	N115 T116 T117	N113-N115 PolarHBondContact O-N 3.27Å; N113-T116 PolarHBondContact O-N 3.33Å; N113-T116 PolarHBondContact O-OG1 3.4Å; N113-T116 VanDerWaalsContact O-OG1 3.13Å; N113-T117 WeakPolarHBondContact O-CB 3.27Å; N113-T117 PolarHBondContact O-N 3.46Å; N113-T117 PolarHBondContact O-OG1 3.18Å
114	S	70.5	Confident	79.5	Confident	91 Å²	91	91.2 Å²	91.2	64%	0.636	48%	0.475	S	S	*	.	H	α-helix	trans	-57.1	-38.1	-171.7	56.2	0	0	0	0	112.3	R112 R118	R112-S114 PolarHBondContact O-N 2.89Å; S114-R118 WeakPolarHBondContact O-CB 3.26Å; S114-R118 PolarHBondContact O-N 2.8Å
115	N	70.2	Confident	78.8	Confident	95 Å²	95	86.6 Å²	86.6	51%	0.508	46%	0.457	S	S	.	.	H	α-helix	trans	-66.7	-54.3	179.4	-68.5	-26	0	0	0	112.4	N113 T117 R118 D119	N113-N115 PolarHBondContact O-N 3.27Å; N115-T117 VanDerWaalsContact C-N 3.27Å; N115-T117 PolarHBondContact O-N 3.5Å; N115-R118 PolarHBondContact O-N 3.47Å; N115-R118 VanDerWaalsContact O-N 3.17Å; N115-D119 VanDerWaalsContact O-CG 3.27Å; N115-D119 PolarHBondContact O-N 3.15Å
116	T	74.6	Confident	78.2	Confident	77 Å²	77	88.9 Å²	88.9	47%	0.472	47%	0.47	S	S	.	.	H	α-helix	trans	-63.5	-34.9	-179.2	59.2	0	0	0	0	112.1	N113 S120	N113-T116 PolarHBondContact O-N 3.33Å; N113-T116 PolarHBondContact O-OG1 3.4Å; N113-T116 VanDerWaalsContact O-OG1 3.13Å; T116-S120 VanDerWaalsContact O-CB 3.3Å; T116-S120 WeakPolarHBondContact O-CB 3.41Å; T116-S120 PolarHBondContact O-N 3.03Å; T116-S120 PolarHBondContact O-OG 3.22Å
117	T	73.1	Confident	77.6	Confident	19 Å²	19	93.5 Å²	93.5	12%	0.117	49%	0.485	C	S	.	.	H	α-helix	trans	-67.6	-43.7	176	-52.2	0	0	0	0	111.7	R112 N113 N115 R121	R112-T117 WeakPolarHBondContact CB-OG1 3.39Å; R112-T117 PolarHBondContact O-OG1 2.91Å; N113-T117 WeakPolarHBondContact O-CB 3.27Å; N113-T117 PolarHBondContact O-N 3.46Å; N113-T117 PolarHBondContact O-OG1 3.18Å; N115-T117 VanDerWaalsContact C-N 3.27Å; N115-T117 PolarHBondContact O-N 3.5Å; T117-R121 WeakPolarHBondContact O-CB 3.47Å; T117-R121 WeakPolarHBondContact O-CG 3.28Å; T117-R121 PolarHBondContact O-N 3.27Å
118	R	72.6	Confident	77	Confident	108 Å²	108	95.8 Å²	95.8	41%	0.408	49%	0.485	S	S	.	.	H	α-helix	trans	-63	-47.4	177.6	-177.9	174	66.2	156.6	-7.9	110.7	S114 N115 S120 R121 H122 H138	S114-R118 WeakPolarHBondContact O-CB 3.26Å; S114-R118 PolarHBondContact O-N 2.8Å; N115-R118 PolarHBondContact O-N 3.47Å; N115-R118 VanDerWaalsContact O-N 3.17Å; R118-S120 PolarHBondContact O-N 2.95Å; R118-R121 PolarHBondContact O-N 2.94Å; R118-H122 WeakPolarHBondContact CG-CE1 3.46Å; R118-H122 PolarHBondContact O-N 3.23Å; R118-H122 PolarHBondContact O-ND1 3.13Å; R118-H138 PolarHBondContact NH2-CE1 3.35Å
119	D	78.8	Confident	76.2	Confident	76 Å²	76	94.1 Å²	94.1	41%	0.406	47%	0.468	S	S	.	.	H	α-helix	trans	-63.6	-42.4	-179.9	-63	-16.5	0	0	0	111.3	N115 R121 H122 H123 H138	N115-D119 VanDerWaalsContact O-CG 3.27Å; N115-D119 PolarHBondContact O-N 3.15Å; D119-R121 PolarHBondContact O-N 3.02Å; D119-H122 PolarHBondContact O-N 3.3Å; D119-H123 WeakPolarHBondContact O-CB 3.49Å; D119-H123 PolarHBondContact O-N 2.9Å; D119-H138 IonicContact OD1-CD2 3.89Å; D119-H138 IonicContact OD1-CE1 3.62Å; D119-H138 IonicContact OD1-NE2 3.35Å; D119-H138 PolarHBondContact OD1-NE2 2.93Å
120	S	79.9	Confident	75.4	Confident	53 Å²	53	92.6 Å²	92.6	37%	0.371	47%	0.467	S	S	.	.	H	α-helix	trans	-60.9	-44.2	174.8	-60.1	0	0	0	0	111.8	T116 R118 H123 L124	T116-S120 VanDerWaalsContact O-CB 3.3Å; T116-S120 WeakPolarHBondContact O-CB 3.41Å; T116-S120 PolarHBondContact O-N 3.03Å; T116-S120 PolarHBondContact O-OG 3.22Å; R118-S120 PolarHBondContact O-N 2.95Å; S120-H123 PolarHBondContact O-N 2.93Å; S120-L124 VanDerWaalsContact O-CG 3.26Å; S120-L124 WeakPolarHBondContact O-CG 3.31Å; S120-L124 PolarHBondContact O-N 3.04Å
121	R	78.7	Confident	74.8	Confident	149 Å²	149	88.4 Å²	88.4	56%	0.562	45%	0.448	S	S	*	.	H	α-helix	trans	-65.1	-44.9	177.1	-75.8	-173	-63.6	-169	1.9	111.9	T117 R118 D119 H123 L124 I125	T117-R121 WeakPolarHBondContact O-CB 3.47Å; T117-R121 WeakPolarHBondContact O-CG 3.28Å; T117-R121 PolarHBondContact O-N 3.27Å; R118-R121 PolarHBondContact O-N 2.94Å; D119-R121 PolarHBondContact O-N 3.02Å; R121-H123 VanDerWaalsContact C-N 3.32Å; R121-H123 PolarHBondContact O-N 2.84Å; R121-L124 PolarHBondContact O-N 3.09Å; R121-I125 VanDerWaalsContact O-CG1 3.3Å; R121-I125 WeakPolarHBondContact O-CG1 3.41Å; R121-I125 PolarHBondContact O-N 3.29Å
122	H	78.2	Confident	74.8	Confident	47 Å²	47	89 Å²	89	22%	0.218	43%	0.431	C	S	.	.	H	α-helix	trans	-59.1	-44.6	175.4	-71.9	150.3	0	0	0	111.7	R118 D119 L124 I125 H126 I135 H138	R118-H122 WeakPolarHBondContact CG-CE1 3.46Å; R118-H122 PolarHBondContact O-N 3.23Å; R118-H122 PolarHBondContact O-ND1 3.13Å; D119-H122 PolarHBondContact O-N 3.3Å; H122-L124 VanDerWaalsContact C-N 3.35Å; H122-L124 PolarHBondContact O-N 2.98Å; H122-I125 PolarHBondContact O-N 3.45Å; H122-H126 WeakPolarHBondContact O-CB 3.18Å; H122-H126 PolarHBondContact O-N 3.4Å; H122-I135 WeakPolarHBondContact CD2-CG2 3.48Å; H122-I135 WeakPolarHBondContact NE2-CG2 3.48Å; H122-H138 AromaticContact CE1-NE2 3.57Å; H122-H138 AromaticContact ND1-CD2 3.54Å; H122-H138 AromaticContact ND1-NE2 3.24Å; H122-H138 PolarHBondContact ND1-NE2 3.48Å
123	H	83.3	Confident	74.6	Confident	111 Å²	111	90.4 Å²	90.4	51%	0.514	44%	0.444	S	S	.	.	H	α-helix	trans	-60.1	-44.3	176.9	179.9	70.4	0	0	0	111.9	D119 S120 R121 H126 R127	D119-H123 WeakPolarHBondContact O-CB 3.49Å; D119-H123 PolarHBondContact O-N 2.9Å; S120-H123 PolarHBondContact O-N 2.93Å; R121-H123 VanDerWaalsContact C-N 3.32Å; R121-H123 PolarHBondContact O-N 2.84Å; H123-H126 PolarHBondContact O-N 2.95Å; H123-R127 VanDerWaalsContact O-CB 3.26Å; H123-R127 WeakPolarHBondContact O-CB 3.38Å; H123-R127 PolarHBondContact O-N 2.73Å
124	L	82.6	Confident	74.6	Confident	83 Å²	83	91.3 Å²	91.3	44%	0.435	45%	0.448	S	S	.	.	H	α-helix	trans	-65.4	-42.5	177	-66.4	169.7	0	0	0	111.7	S120 R121 H122 H126 R127 Y128	S120-L124 VanDerWaalsContact O-CG 3.26Å; S120-L124 WeakPolarHBondContact O-CG 3.31Å; S120-L124 PolarHBondContact O-N 3.04Å; R121-L124 PolarHBondContact O-N 3.09Å; H122-L124 VanDerWaalsContact C-N 3.35Å; H122-L124 PolarHBondContact O-N 2.98Å; L124-H126 VanDerWaalsContact C-N 3.33Å; L124-H126 PolarHBondContact O-N 3.2Å; L124-R127 PolarHBondContact O-N 2.93Å; L124-Y128 HydrophobicContact CB-CD2 4.34Å; L124-Y128 HydrophobicContact CD2-CD2 4.46Å; L124-Y128 HydrophobicContact CD2-CE2 3.85Å; L124-Y128 VanDerWaalsContact O-CD2 3.23Å; L124-Y128 WeakPolarHBondContact O-CD2 3.25Å; L124-Y128 PolarHBondContact O-N 3.18Å
125	I	78.3	Confident	74.4	Confident	47 Å²	47	89.3 Å²	89.3	24%	0.241	43%	0.429	C	S	.	.	H	α-helix	trans	-61.1	-46.2	177.3	-68.1	166	0	0	0	110.2	R121 H122 R127 F129 W132 I135	R121-I125 VanDerWaalsContact O-CG1 3.3Å; R121-I125 WeakPolarHBondContact O-CG1 3.41Å; R121-I125 PolarHBondContact O-N 3.29Å; H122-I125 PolarHBondContact O-N 3.45Å; I125-R127 PolarHBondContact O-N 3.28Å; I125-F129 HydrophobicContact CG2-CD2 4.28Å; I125-F129 WeakPolarHBondContact O-CA 3.44Å; I125-F129 VanDerWaalsContact O-CB 3.31Å; I125-F129 WeakPolarHBondContact O-CB 3.31Å; I125-F129 PolarHBondContact O-N 2.8Å; I125-W132 HydrophobicContact CG2-CB 4.35Å; I125-I135 HydrophobicContact CD1-CD1 3.67Å; I125-I135 HydrophobicContact CG2-CD1 4.01Å
126	H	78.2	Confident	74.1	Confident	120 Å²	120	89.8 Å²	89.8	56%	0.556	44%	0.438	S	S	*	.	H	α-helix	trans	-61.5	-44.8	176.6	-173.7	-83.1	0	0	0	111.9	H122 H123 L124 G130	H122-H126 WeakPolarHBondContact O-CB 3.18Å; H122-H126 PolarHBondContact O-N 3.4Å; H123-H126 PolarHBondContact O-N 2.95Å; L124-H126 VanDerWaalsContact C-N 3.33Å; L124-H126 PolarHBondContact O-N 3.2Å; H126-G130 WeakPolarHBondContact O-CA 3.37Å; H126-G130 PolarHBondContact O-N 3.2Å
127	R	78.9	Confident	73.3	Confident	172 Å²	172	89.4 Å²	89.4	65%	0.649	44%	0.438	S	S	*	.	H	α-helix	trans	-63.7	-43.6	-179.1	-178	173.8	-176	156.2	0.4	113	H123 L124 I125	H123-R127 VanDerWaalsContact O-CB 3.26Å; H123-R127 WeakPolarHBondContact O-CB 3.38Å; H123-R127 PolarHBondContact O-N 2.73Å; L124-R127 PolarHBondContact O-N 2.93Å; I125-R127 PolarHBondContact O-N 3.28Å
128	Y	74.6	Confident	72.7	Confident	110 Å²	110	93.2 Å²	93.2	43%	0.431	46%	0.455	S	S	.	.	H	α-helix	trans	-91	-35.5	-174.2	-71	-68.1	0	0	0	113.3	L124 P163	L124-Y128 HydrophobicContact CB-CD2 4.34Å; L124-Y128 HydrophobicContact CD2-CD2 4.46Å; L124-Y128 HydrophobicContact CD2-CE2 3.85Å; L124-Y128 VanDerWaalsContact O-CD2 3.23Å; L124-Y128 WeakPolarHBondContact O-CD2 3.25Å; L124-Y128 PolarHBondContact O-N 3.18Å; Y128-P163 WeakPolarHBondContact O-CG 3.45Å
129	F	71.5	Confident	71.8	Confident	53 Å²	53	91 Å²	91	23%	0.232	46%	0.456	C	S	.	.	H	α-helix	trans	-108.3	-2.1	-173.5	-57.4	-85.3	0	0	0	113.3	I125 G131 L160 I164	I125-F129 HydrophobicContact CG2-CD2 4.28Å; I125-F129 WeakPolarHBondContact O-CA 3.44Å; I125-F129 VanDerWaalsContact O-CB 3.31Å; I125-F129 WeakPolarHBondContact O-CB 3.31Å; I125-F129 PolarHBondContact O-N 2.8Å; F129-G131 PolarHBondContact O-N 3.3Å; F129-L160 HydrophobicContact CB-CD1 4.15Å; F129-L160 HydrophobicContact CD1-CD1 4.06Å; F129-L160 WeakPolarHBondContact CD1-O 3.46Å; F129-I164 HydrophobicContact CE1-CB 4.4Å
130	G	70.1	Confident	70.2	Confident	42 Å²	42	93.8 Å²	93.8	43%	0.433	48%	0.475	S	S	.	.	S	Bend	trans	71.5	18.8	-176.3	0	0	0	0	0	113.7	H126	H126-G130 WeakPolarHBondContact O-CA 3.37Å; H126-G130 PolarHBondContact O-N 3.2Å
131	G	68.5	Low	68.4	Low	15 Å²	15	98.2 Å²	98.2	16%	0.155	50%	0.495	C	S	.	.			trans	97.1	170.1	-177	0	0	0	0	0	113.2	F129	F129-G131 PolarHBondContact O-N 3.3Å
132	W	68.7	Low	66.9	Low	137 Å²	137	94.5 Å²	94.5	52%	0.519	49%	0.485	S	S	.	.			trans	-141.9	123.8	176.3	-169.5	-33.9	0	0	0	107.7	I125 L134 I135	I125-W132 HydrophobicContact CG2-CB 4.35Å; W132-L134 VanDerWaalsContact C-N 3.3Å; W132-L134 PolarHBondContact O-N 2.76Å; W132-I135 HydrophobicContact CB-CB 4.41Å; W132-I135 HydrophobicContact CB-CD1 3.83Å; W132-I135 HydrophobicContact CB-CG1 3.94Å; W132-I135 HydrophobicContact CG-CD1 4.32Å; W132-I135 HydrophobicContact CG-CG1 4.25Å; W132-I135 WeakPolarHBondContact O-CB 3.17Å; W132-I135 PolarHBondContact O-N 3.13Å
133	E	65.3	Low	65.5	Low	167 Å²	167	97.7 Å²	97.7	78%	0.78	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-35.6	-176.9	-170.9	174.2	-177.7	0	0	114.6	I135	E133-I135 PolarHBondContact O-N 3.27Å
134	L	69.5	Low	64	Low	146 Å²	146	98.3 Å²	98.3	76%	0.764	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-8.9	175.6	-57.7	-179.8	0	0	0	113.9	W132 P136	W132-L134 VanDerWaalsContact C-N 3.3Å; W132-L134 PolarHBondContact O-N 2.76Å; L134-P136 WeakPolarHBondContact O-CD 3.36Å
135	I	67	Low	62.4	Low	48 Å²	48	100.2 Å²	100.2	25%	0.246	53%	0.527	C	S	.	.	S	Bend	trans	-101.1	108.2	178.3	-59.9	-178	0	0	0	108.3	H122 I125 W132 E133 S137	H122-I135 WeakPolarHBondContact CD2-CG2 3.48Å; H122-I135 WeakPolarHBondContact NE2-CG2 3.48Å; I125-I135 HydrophobicContact CD1-CD1 3.67Å; I125-I135 HydrophobicContact CG2-CD1 4.01Å; W132-I135 HydrophobicContact CB-CB 4.41Å; W132-I135 HydrophobicContact CB-CD1 3.83Å; W132-I135 HydrophobicContact CB-CG1 3.94Å; W132-I135 HydrophobicContact CG-CD1 4.32Å; W132-I135 HydrophobicContact CG-CG1 4.25Å; W132-I135 WeakPolarHBondContact O-CB 3.17Å; W132-I135 PolarHBondContact O-N 3.13Å; E133-I135 PolarHBondContact O-N 3.27Å; I135-S137 PolarHBondContact O-N 2.84Å
136	P	63.5	Low	61	Low	106 Å²	106	102.9 Å²	102.9	69%	0.688	54%	0.541	S	S	*	.			trans	-61.5	131.6	-179.9	23.5	-31.2	0	0	0	110.5	L134	L134-P136 WeakPolarHBondContact O-CD 3.36Å
137	S	59	Low	59.6	Low	68 Å²	68	103.2 Å²	103.2	48%	0.476	54%	0.541	S	S	.	.			trans	-66	140.8	172.8	62.6	0	0	0	0	109.9	I135 S139	I135-S137 PolarHBondContact O-N 2.84Å; S137-S139 PolarHBondContact O-N 3.22Å; S137-S139 PolarHBondContact OG-OG 3.13Å
138	H	58.6	Low	58.1	Low	100 Å²	100	104.3 Å²	104.3	46%	0.463	55%	0.553	S	S	.	*	S	Bend	trans	-68.2	0.9	177.1	-87.2	-80.8	0	0	0	114.2	R118 D119 H122 T140	R118-H138 PolarHBondContact NH2-CE1 3.35Å; D119-H138 IonicContact OD1-CD2 3.89Å; D119-H138 IonicContact OD1-CE1 3.62Å; D119-H138 IonicContact OD1-NE2 3.35Å; D119-H138 PolarHBondContact OD1-NE2 2.93Å; H122-H138 AromaticContact CE1-NE2 3.57Å; H122-H138 AromaticContact ND1-CD2 3.54Å; H122-H138 AromaticContact ND1-NE2 3.24Å; H122-H138 PolarHBondContact ND1-NE2 3.48Å; H138-T140 PolarHBondContact O-N 3.29Å
139	S	54.3	Low	56.8	Low	62 Å²	62	107.8 Å²	107.8	43%	0.434	57%	0.571	S	S	.	*			trans	-74.4	95.9	175.8	60.4	0	0	0	0	110.3	S137	S137-S139 PolarHBondContact O-N 3.22Å; S137-S139 PolarHBondContact OG-OG 3.13Å
140	T	45.7	Very low	55.8	Low	133 Å²	133	109.7 Å²	109.7	82%	0.816	58%	0.58	S	S	*	*	S	Bend	trans	-31.2	137	157.8	23	0	0	0	0	113.8	H138	H138-T140 PolarHBondContact O-N 3.29Å
141	N	42.4	Very low	54.9	Low	147 Å²	147	113.8 Å²	113.8	79%	0.786	59%	0.592	S	S	*	*			trans	61	76.1	172.8	-81.7	-28.8	0	0	0	116.8	N143	N141-N143 VanDerWaalsContact C-N 3.26Å; N141-N143 PolarHBondContact O-N 3.44Å
142	I	47.2	Very low	54	Low	70 Å²	70	121.7 Å²	121.7	36%	0.359	62%	0.622	S	S	.	*			trans	-73.3	90.6	153.2	-59	172.8	0	0	0	107.2	N144 K147	I142-N144 PolarHBondContact O-N 3.49Å; I142-N144 VanDerWaalsContact O-N 3.16Å; I142-K147 HydrophobicContact CG2-CD 4.43Å; I142-K147 HydrophobicContact CG2-CG 3.61Å
143	N	48.2	Very low	53.2	Low	115 Å²	115	118.8 Å²	118.8	62%	0.615	62%	0.616	S	S	*	*			trans	-51.1	122.5	154.4	-75.2	-17.5	0	0	0	106.6	N141 T145 N146	N141-N143 VanDerWaalsContact C-N 3.26Å; N141-N143 PolarHBondContact O-N 3.44Å; N143-T145 PolarHBondContact O-N 3.14Å; N143-N146 PolarHBondContact O-N 2.92Å
144	N	51.1	Low	52.6	Low	123 Å²	123	116.8 Å²	116.8	66%	0.658	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.9	3.7	-168.3	-77.9	-45.1	0	0	0	115.5	I142 K147	I142-N144 PolarHBondContact O-N 3.49Å; I142-N144 VanDerWaalsContact O-N 3.16Å; N144-K147 WeakPolarHBondContact OD1-CE 3.33Å; N144-K147 PolarHBondContact OD1-NZ 3Å
145	T	50.3	Low	52.1	Low	124 Å²	124	112.3 Å²	112.3	76%	0.761	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.9	-13.8	-178.7	49.2	0	0	0	0	114.2	N143	N143-T145 PolarHBondContact O-N 3.14Å
146	N	48.4	Very low	52.2	Low	102 Å²	102	112.1 Å²	112.1	55%	0.545	60%	0.597	S	S	.	*	S	Bend	trans	-106	5	178.1	-72.9	-25.2	0	0	0	115	N143 H148 K149	N143-N146 PolarHBondContact O-N 2.92Å; N146-H148 PolarHBondContact O-N 2.82Å; N146-H148 VanDerWaalsContact O-N 3.09Å; N146-K149 PolarHBondContact O-N 2.85Å
147	K	48.2	Very low	52.6	Low	127 Å²	127	110.8 Å²	110.8	55%	0.552	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.2	-25	179.2	-84.9	-179.3	170.3	161.7	0	114.1	I142 N144	I142-K147 HydrophobicContact CG2-CD 4.43Å; I142-K147 HydrophobicContact CG2-CG 3.61Å; N144-K147 WeakPolarHBondContact OD1-CE 3.33Å; N144-K147 PolarHBondContact OD1-NZ 3Å
148	H	46.9	Very low	53.5	Low	195 Å²	195	112.3 Å²	112.3	90%	0.903	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	-10.2	177.7	-88.8	-71.7	0	0	0	114.9	N146	N146-H148 PolarHBondContact O-N 2.82Å; N146-H148 VanDerWaalsContact O-N 3.09Å
149	K	49	Very low	54.2	Low	184 Å²	184	111.5 Å²	111.5	80%	0.8	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.5	-7.7	-176.8	-118.4	178.5	-177.6	177.2	0	114.2	N146 N151	N146-K149 PolarHBondContact O-N 2.85Å; K149-N151 VanDerWaalsContact C-N 3.34Å; K149-N151 PolarHBondContact O-N 3.38Å; K149-N151 VanDerWaalsContact O-N 3.08Å
150	Q	49.5	Very low	55.3	Low	93 Å²	93	110.1 Å²	110.1	44%	0.435	58%	0.577	S	S	.	*	S	Bend	trans	-81	88.2	169.1	-94.6	169.9	-21.2	0	0	109.4
151	N	51.6	Low	57	Low	128 Å²	128	105.3 Å²	105.3	68%	0.684	55%	0.545	S	S	*	.			trans	58.1	78.8	152.2	-52.2	-19.9	0	0	0	115	K149 M153	K149-N151 VanDerWaalsContact C-N 3.34Å; K149-N151 PolarHBondContact O-N 3.38Å; K149-N151 VanDerWaalsContact O-N 3.08Å; N151-M153 PolarHBondContact O-N 2.98Å
152	K	49.4	Very low	59	Low	181 Å²	181	102.9 Å²	102.9	79%	0.787	53%	0.531	S	S	*	.			trans	-43	114.2	140.5	-176.4	178.7	-176.6	178.4	0	105.3	N154	K152-N154 WeakPolarHBondContact CG-OD1 3.38Å; K152-N154 PolarHBondContact O-N 2.88Å; K152-N154 PolarHBondContact O-OD1 2.69Å
153	M	52.4	Low	60.7	Low	76 Å²	76	100.9 Å²	100.9	37%	0.374	52%	0.522	S	S	.	.			trans	-62.5	87.1	177.6	-165.5	165.4	162.7	0	0	105.7	N151 N155 L160	N151-M153 PolarHBondContact O-N 2.98Å; M153-N155 HydrophobicContact CG-CB 4.27Å; M153-N155 PolarHBondContact O-N 2.9Å; M153-L160 HydrophobicContact CE-CD1 3.95Å; M153-L160 HydrophobicContact CE-CD2 4.35Å
154	N	51.9	Low	62.3	Low	124 Å²	124	98 Å²	98	66%	0.663	51%	0.507	S	S	*	.			trans	-69.7	2.2	179.5	-74.5	-14.1	0	0	0	110.7	K152 G156	K152-N154 WeakPolarHBondContact CG-OD1 3.38Å; K152-N154 PolarHBondContact O-N 2.88Å; K152-N154 PolarHBondContact O-OD1 2.69Å; N154-G156 PolarHBondContact O-N 3.13Å
155	N	58.5	Low	64	Low	53 Å²	53	93.4 Å²	93.4	28%	0.283	48%	0.482	S	S	.	.			trans	-90.4	97.3	178.2	-61.5	-9.6	0	0	0	107.5	M153 N159	M153-N155 HydrophobicContact CG-CB 4.27Å; M153-N155 PolarHBondContact O-N 2.9Å; N155-N159 HydrophobicContact CB-CB 3.72Å
156	G	69.5	Low	65.7	Low	44 Å²	44	92.6 Å²	92.6	45%	0.454	48%	0.477	S	S	.	.			trans	-55.5	165.1	168.1	0	0	0	0	0	111.2	N154 T158 N159 L160	N154-G156 PolarHBondContact O-N 3.13Å; G156-T158 CarbonylContact O-C 3.6Å; G156-T158 PolarHBondContact O-N 3.5Å; G156-N159 PolarHBondContact O-N 3.13Å; G156-L160 PolarHBondContact O-N 3.16Å
157	L	72.6	Confident	67.3	Low	78 Å²	78	93.8 Å²	93.8	41%	0.408	48%	0.479	S	S	.	.	H	α-helix	trans	-51.6	-31.6	-179.7	-79.6	101.7	0	0	0	113	L160 F161 L173 M204	L157-L160 PolarHBondContact O-N 3.03Å; L157-F161 HydrophobicContact CB-CD2 4.31Å; L157-F161 HydrophobicContact CB-CE2 4.34Å; L157-F161 HydrophobicContact CD2-CD2 4.27Å; L157-F161 HydrophobicContact CD2-CE2 3.51Å; L157-F161 HydrophobicContact CD2-CZ 4.14Å; L157-F161 HydrophobicContact CG-CE2 4.38Å; L157-F161 WeakPolarHBondContact O-CB 3.15Å; L157-F161 PolarHBondContact O-N 2.74Å; L157-L173 HydrophobicContact CD2-CD1 4.06Å; L157-M204 HydrophobicContact CD1-CE 3.56Å; L157-M204 HydrophobicContact CD2-CE 3.48Å; L157-M204 VanDerWaalsContact CD2-CE 3.48Å; L157-M204 HydrophobicContact CG-CE 4.15Å
158	T	77.6	Confident	69.2	Low	99 Å²	99	91 Å²	91	61%	0.607	47%	0.473	S	S	*	.	H	α-helix	trans	-56.1	-51.7	172	-50.3	0	0	0	0	111.4	G156 L160 F161 L162	G156-T158 CarbonylContact O-C 3.6Å; G156-T158 PolarHBondContact O-N 3.5Å; T158-L160 PolarHBondContact O-N 3.06Å; T158-F161 PolarHBondContact O-N 2.97Å; T158-L162 HydrophobicContact CG2-CD1 4.36Å; T158-L162 WeakPolarHBondContact O-CB 3.01Å; T158-L162 PolarHBondContact O-N 3.02Å
159	N	74	Confident	71.1	Confident	84 Å²	84	82.6 Å²	82.6	45%	0.449	44%	0.439	S	S	.	.	H	α-helix	trans	-65.7	-29.5	-179.5	-68.1	-9.1	0	0	0	112.3	N155 G156 P163	N155-N159 HydrophobicContact CB-CB 3.72Å; G156-N159 PolarHBondContact O-N 3.13Å; N159-P163 WeakPolarHBondContact O-CD 3.18Å
160	L	76.4	Confident	73	Confident	33 Å²	33	80.6 Å²	80.6	17%	0.173	43%	0.426	C	S	.	.	H	α-helix	trans	-72.4	-43	175.2	-176.5	65.8	0	0	0	112	F129 M153 G156 L157 T158	F129-L160 HydrophobicContact CB-CD1 4.15Å; F129-L160 HydrophobicContact CD1-CD1 4.06Å; F129-L160 WeakPolarHBondContact CD1-O 3.46Å; M153-L160 HydrophobicContact CE-CD1 3.95Å; M153-L160 HydrophobicContact CE-CD2 4.35Å; G156-L160 PolarHBondContact O-N 3.16Å; L157-L160 PolarHBondContact O-N 3.03Å; T158-L160 PolarHBondContact O-N 3.06Å
161	F	82.6	Confident	74.7	Confident	32 Å²	32	76.4 Å²	76.4	14%	0.14	41%	0.407	C	S	.	.	H	α-helix	trans	-97.1	-19.8	-172	-63.1	-31.4	0	0	0	114.8	L157 T158 P163 I164 L165 P172 L173	L157-F161 HydrophobicContact CB-CD2 4.31Å; L157-F161 HydrophobicContact CB-CE2 4.34Å; L157-F161 HydrophobicContact CD2-CD2 4.27Å; L157-F161 HydrophobicContact CD2-CE2 3.51Å; L157-F161 HydrophobicContact CD2-CZ 4.14Å; L157-F161 HydrophobicContact CG-CE2 4.38Å; L157-F161 WeakPolarHBondContact O-CB 3.15Å; L157-F161 PolarHBondContact O-N 2.74Å; T158-F161 PolarHBondContact O-N 2.97Å; F161-P163 VanDerWaalsContact C-CD 3.47Å; F161-I164 HydrophobicContact CB-CG2 4.3Å; F161-I164 HydrophobicContact CD1-CG2 4.39Å; F161-I164 WeakPolarHBondContact O-CG2 3.32Å; F161-I164 PolarHBondContact O-N 3.04Å; F161-L165 HydrophobicContact CB-CD1 4.09Å; F161-L165 WeakPolarHBondContact O-CB 3.26Å; F161-L165 VanDerWaalsContact O-CG 3.31Å; F161-L165 WeakPolarHBondContact O-CG 3.36Å; F161-L165 PolarHBondContact O-N 2.96Å; F161-P172 HydrophobicContact CD1-CG 4.41Å; F161-P172 HydrophobicContact CE1-CG 3.75Å; F161-P172 HydrophobicContact CZ-CB 4.36Å; F161-P172 HydrophobicContact CZ-CG 4.01Å; F161-L173 HydrophobicContact CD2-CD1 4.16Å; F161-L173 HydrophobicContact CD2-CG 4.43Å; F161-L173 HydrophobicContact CE2-CD1 3.67Å; F161-L173 HydrophobicContact CE2-CG 3.78Å
162	L	83.2	Confident	76.3	Confident	96 Å²	96	73.8 Å²	73.8	50%	0.503	40%	0.397	S	S	.	.	H	α-helix	trans	-54.9	-46.4	178.4	-157.6	82.8	0	0	0	111.8	T158 I164 L165 T166	T158-L162 HydrophobicContact CG2-CD1 4.36Å; T158-L162 WeakPolarHBondContact O-CB 3.01Å; T158-L162 PolarHBondContact O-N 3.02Å; L162-I164 VanDerWaalsContact C-N 3.32Å; L162-I164 PolarHBondContact O-N 3.29Å; L162-L165 PolarHBondContact O-N 3.32Å; L162-T166 HydrophobicContact CG-CG2 4.33Å; L162-T166 VanDerWaalsContact O-CG2 3.29Å; L162-T166 WeakPolarHBondContact O-CG2 3.49Å; L162-T166 PolarHBondContact O-N 3.15Å; L162-T166 PolarHBondContact O-OG1 3.41Å; L162-T166 VanDerWaalsContact O-OG1 3.05Å
163	P	83.3	Confident	77.9	Confident	27 Å²	27	66 Å²	66	18%	0.175	36%	0.364	C	S	.	.	H	α-helix	trans	-63.1	-35.1	-179.4	-21.2	33.3	0	0	0	113.6	Y128 N159 F161 T166 Q167	Y128-P163 WeakPolarHBondContact O-CG 3.45Å; N159-P163 WeakPolarHBondContact O-CD 3.18Å; F161-P163 VanDerWaalsContact C-CD 3.47Å; P163-T166 PolarHBondContact O-OG1 2.85Å; P163-T166 VanDerWaalsContact O-OG1 3.13Å; P163-Q167 WeakPolarHBondContact O-CB 3.29Å; P163-Q167 VanDerWaalsContact O-CG 3.31Å; P163-Q167 WeakPolarHBondContact O-CG 3.44Å; P163-Q167 PolarHBondContact O-N 2.87Å; P163-Q167 PolarHBondContact O-NE2 3.46Å
164	I	82.6	Confident	79.6	Confident	56 Å²	56	63.5 Å²	63.5	29%	0.287	35%	0.351	S	S	.	.	H	α-helix	trans	-79.6	-36.8	177.8	-169.8	169.6	0	0	0	111.1	F129 F161 L162 Q167 T168 R170	F129-I164 HydrophobicContact CE1-CB 4.4Å; F161-I164 HydrophobicContact CB-CG2 4.3Å; F161-I164 HydrophobicContact CD1-CG2 4.39Å; F161-I164 WeakPolarHBondContact O-CG2 3.32Å; F161-I164 PolarHBondContact O-N 3.04Å; L162-I164 VanDerWaalsContact C-N 3.32Å; L162-I164 PolarHBondContact O-N 3.29Å; I164-Q167 PolarHBondContact O-N 3.18Å; I164-T168 HydrophobicContact CG1-CG2 4.19Å; I164-T168 WeakPolarHBondContact O-CB 3.41Å; I164-T168 PolarHBondContact O-N 3.3Å; I164-T168 PolarHBondContact O-OG1 3.17Å; I164-R170 CarbonylContact C-O 3.48Å
165	L	85.7	Confident	81.5	Confident	25 Å²	25	58.1 Å²	58.1	13%	0.131	32%	0.323	C	S	.	.	H	α-helix	trans	-62.3	-44.4	174.7	-78.3	165.7	0	0	0	111.5	F161 L162 Q167 G169 F174 I176	F161-L165 HydrophobicContact CB-CD1 4.09Å; F161-L165 WeakPolarHBondContact O-CB 3.26Å; F161-L165 VanDerWaalsContact O-CG 3.31Å; F161-L165 WeakPolarHBondContact O-CG 3.36Å; F161-L165 PolarHBondContact O-N 2.96Å; L162-L165 PolarHBondContact O-N 3.32Å; L165-Q167 VanDerWaalsContact C-N 3.33Å; L165-Q167 PolarHBondContact O-N 3.03Å; L165-G169 WeakPolarHBondContact O-CA 3.47Å; L165-G169 PolarHBondContact O-N 3.13Å; L165-F174 HydrophobicContact CD1-CE2 3.76Å; L165-F174 HydrophobicContact CD1-CZ 3.69Å; L165-F174 HydrophobicContact CD2-CD2 4.15Å; L165-F174 HydrophobicContact CD2-CE2 3.71Å; L165-F174 HydrophobicContact CD2-CZ 4.4Å; L165-F174 HydrophobicContact CG-CE2 4.43Å; L165-I176 HydrophobicContact CD2-CG1 4.46Å
166	T	85.6	Confident	82.9	Confident	107 Å²	107	58.7 Å²	58.7	66%	0.656	33%	0.326	S	S	*	.	H	α-helix	trans	-68.5	-31.3	179.8	54.9	0	0	0	0	112.8	L162 P163	L162-T166 HydrophobicContact CG-CG2 4.33Å; L162-T166 VanDerWaalsContact O-CG2 3.29Å; L162-T166 WeakPolarHBondContact O-CG2 3.49Å; L162-T166 PolarHBondContact O-N 3.15Å; L162-T166 PolarHBondContact O-OG1 3.41Å; L162-T166 VanDerWaalsContact O-OG1 3.05Å; P163-T166 PolarHBondContact O-OG1 2.85Å; P163-T166 VanDerWaalsContact O-OG1 3.13Å
167	Q	83.5	Confident	83.8	Confident	127 Å²	127	59.8 Å²	59.8	59%	0.593	32%	0.321	S	S	*	.	H	α-helix	trans	-85	-34.3	-179.8	-74.3	177.4	89.4	0	0	113.6	P163 I164 L165	P163-Q167 WeakPolarHBondContact O-CB 3.29Å; P163-Q167 VanDerWaalsContact O-CG 3.31Å; P163-Q167 WeakPolarHBondContact O-CG 3.44Å; P163-Q167 PolarHBondContact O-N 2.87Å; P163-Q167 PolarHBondContact O-NE2 3.46Å; I164-Q167 PolarHBondContact O-N 3.18Å; L165-Q167 VanDerWaalsContact C-N 3.33Å; L165-Q167 PolarHBondContact O-N 3.03Å
168	T	86.7	Confident	84.6	Confident	70 Å²	70	61.7 Å²	61.7	43%	0.429	33%	0.331	S	S	.	.	H	α-helix	trans	-121	-9.3	-168	70.3	0	0	0	0	114.2	I164 R170	I164-T168 HydrophobicContact CG1-CG2 4.19Å; I164-T168 WeakPolarHBondContact O-CB 3.41Å; I164-T168 PolarHBondContact O-N 3.3Å; I164-T168 PolarHBondContact O-OG1 3.17Å; T168-R170 PolarHBondContact O-N 3.35Å; T168-R170 PolarHBondContact OG1-N 2.91Å; T168-R170 VanDerWaalsContact OG1-N 3.09Å; T168-R170 PolarHBondContact OG1-O 2.95Å; T168-R170 VanDerWaalsContact OG1-O 3.12Å
169	G	88.5	Confident	85.1	Confident	18 Å²	18	57.6 Å²	57.6	19%	0.186	31%	0.307	C	S	.	.	S	Bend	trans	66	9.4	-167.3	0	0	0	0	0	113.2	L165 S175 I176	L165-G169 WeakPolarHBondContact O-CA 3.47Å; L165-G169 PolarHBondContact O-N 3.13Å; G169-S175 CarbonylContact O-C 3.46Å; G169-S175 VanDerWaalsContact O-CA 3.26Å; G169-S175 WeakPolarHBondContact O-CA 3.37Å; G169-S175 WeakPolarHBondContact O-CB 3.47Å; G169-I176 PolarHBondContact O-N 3.28Å; G169-I176 VanDerWaalsContact O-O 3.09Å
170	R	87.5	Confident	85.8	Confident	142 Å²	142	59.7 Å²	59.7	54%	0.536	32%	0.318	S	S	.	.	B	Isolated β-bridge	trans	-133.4	145.3	-172.8	-61.3	-172.5	174.7	87.1	-4.4	112.2	I164 T168	I164-R170 CarbonylContact C-O 3.48Å; T168-R170 PolarHBondContact O-N 3.35Å; T168-R170 PolarHBondContact OG1-N 2.91Å; T168-R170 VanDerWaalsContact OG1-N 3.09Å; T168-R170 PolarHBondContact OG1-O 2.95Å; T168-R170 VanDerWaalsContact OG1-O 3.12Å
171	S	86.5	Confident	86.5	Confident	4 Å²	4	64.5 Å²	64.5	3%	0.028	34%	0.344	C	S	.	.			trans	-129.4	169.3	165.5	70.6	0	0	0	0	109.4	L173 F174 S190	S171-L173 PolarHBondContact O-N 3.49Å; S171-L173 PolarHBondContact OG-N 2.95Å; S171-F174 WeakPolarHBondContact CA-O 3.43Å; S171-F174 PolarHBondContact N-O 2.7Å; S171-F174 PolarHBondContact OG-N 3.34Å; S171-F174 PolarHBondContact OG-O 2.92Å; S171-S190 WeakPolarHBondContact O-CB 3.24Å; S171-S190 PolarHBondContact O-OG 3.4Å
172	P	83.7	Confident	86.9	Confident	73 Å²	73	68.2 Å²	68.2	47%	0.474	36%	0.364	S	S	.	.	S	Bend	trans	-59.6	-20.5	170.6	-26.1	36.6	0	0	0	114.7	F161	F161-P172 HydrophobicContact CD1-CG 4.41Å; F161-P172 HydrophobicContact CE1-CG 3.75Å; F161-P172 HydrophobicContact CZ-CB 4.36Å; F161-P172 HydrophobicContact CZ-CG 4.01Å
173	L	84.4	Confident	87	Confident	19 Å²	19	72.4 Å²	72.4	10%	0.099	38%	0.378	C	S	.	.	S	Bend	trans	-96.3	-45.1	-176.4	-60.9	-177.9	0	0	0	112.4	L157 F161 S171 S190 L201 L208	L157-L173 HydrophobicContact CD2-CD1 4.06Å; F161-L173 HydrophobicContact CD2-CD1 4.16Å; F161-L173 HydrophobicContact CD2-CG 4.43Å; F161-L173 HydrophobicContact CE2-CD1 3.67Å; F161-L173 HydrophobicContact CE2-CG 3.78Å; S171-L173 PolarHBondContact O-N 3.49Å; S171-L173 PolarHBondContact OG-N 2.95Å; L173-S190 PolarHBondContact O-N 3.26Å; L173-S190 VanDerWaalsContact O-N 3.16Å; L173-L201 HydrophobicContact CD2-CD2 3.52Å; L173-L208 HydrophobicContact CD1-CD1 4.03Å
174	F	88.3	Confident	87.3	Confident	23 Å²	23	72.8 Å²	72.8	10%	0.101	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	160.2	-176.7	60.2	-93.4	0	0	0	111.4	L165 S171 I176 V187 S188 F205 L208	L165-F174 HydrophobicContact CD1-CE2 3.76Å; L165-F174 HydrophobicContact CD1-CZ 3.69Å; L165-F174 HydrophobicContact CD2-CD2 4.15Å; L165-F174 HydrophobicContact CD2-CE2 3.71Å; L165-F174 HydrophobicContact CD2-CZ 4.4Å; L165-F174 HydrophobicContact CG-CE2 4.43Å; S171-F174 WeakPolarHBondContact CA-O 3.43Å; S171-F174 PolarHBondContact N-O 2.7Å; S171-F174 PolarHBondContact OG-N 3.34Å; S171-F174 PolarHBondContact OG-O 2.92Å; F174-I176 HydrophobicContact CD2-CD1 4.41Å; F174-I176 HydrophobicContact CD2-CG1 3.91Å; F174-I176 HydrophobicContact CE2-CD1 3.83Å; F174-I176 HydrophobicContact CE2-CG1 3.84Å; F174-V187 HydrophobicContact CB-CG1 4.13Å; F174-V187 HydrophobicContact CD2-CG1 4.09Å; F174-V187 HydrophobicContact CG-CG1 4.27Å; F174-S188 CarbonylContact C-O 3.48Å; F174-S188 WeakPolarHBondContact CA-O 3.34Å; F174-S188 VanDerWaalsContact CB-O 3.25Å; F174-S188 WeakPolarHBondContact CB-O 3.45Å; F174-F205 HydrophobicContact CB-CD2 4.41Å; F174-F205 HydrophobicContact CB-CE2 3.93Å; F174-L208 HydrophobicContact CE1-CD2 4.42Å
175	S	90.4	Very high	87.7	Confident	11 Å²	11	75 Å²	75	8%	0.077	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	147.5	167.9	60.5	0	0	0	0	110.4	G169 V187 S188	G169-S175 CarbonylContact O-C 3.46Å; G169-S175 VanDerWaalsContact O-CA 3.26Å; G169-S175 WeakPolarHBondContact O-CA 3.37Å; G169-S175 WeakPolarHBondContact O-CB 3.47Å; S175-V187 WeakPolarHBondContact O-CA 3.45Å; S175-S188 PolarHBondContact N-O 3.34Å; S175-S188 PolarHBondContact O-N 3.34Å
176	I	89.3	Confident	87.9	Confident	65 Å²	65	77.2 Å²	77.2	33%	0.333	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	124.8	172.1	-57.5	-179.1	0	0	0	107.3	L165 G169 F174 V185 I186 V187	L165-I176 HydrophobicContact CD2-CG1 4.46Å; G169-I176 PolarHBondContact O-N 3.28Å; G169-I176 VanDerWaalsContact O-O 3.09Å; F174-I176 HydrophobicContact CD2-CD1 4.41Å; F174-I176 HydrophobicContact CD2-CG1 3.91Å; F174-I176 HydrophobicContact CE2-CD1 3.83Å; F174-I176 HydrophobicContact CE2-CG1 3.84Å; I176-V185 HydrophobicContact CG2-CG1 3.42Å; I176-V185 VanDerWaalsContact CG2-CG1 3.42Å; I176-I186 CarbonylContact C-O 3.59Å; I176-I186 WeakPolarHBondContact CA-O 3.39Å; I176-V187 HydrophobicContact CG1-CG2 4.47Å
177	N	88.1	Confident	88.1	Confident	66 Å²	66	75.2 Å²	75.2	35%	0.353	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	157.8	172.3	-62	-58.6	0	0	0	109.7	I186	N177-I186 PolarHBondContact N-O 3.47Å; N177-I186 PolarHBondContact O-N 3.07Å
178	I	88.3	Confident	88.4	Confident	119 Å²	119	71.4 Å²	71.4	61%	0.61	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.7	126.8	171.6	-61.8	170.1	0	0	0	107
179	A	89.2	Confident	88.6	Confident	13 Å²	13	72.3 Å²	72.3	11%	0.107	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	107.3	171.1	0	0	0	0	0	108.6	D181 I182 F183 A184 I186	A179-D181 WeakPolarHBondContact CB-OD1 3.39Å; A179-D181 PolarHBondContact O-N 3.25Å; A179-I182 HydrophobicContact CB-CD1 4.06Å; A179-I182 HydrophobicContact CB-CG1 3.58Å; A179-I182 PolarHBondContact O-N 3.37Å; A179-F183 VanDerWaalsContact O-CA 3.27Å; A179-F183 WeakPolarHBondContact O-CA 3.27Å; A179-F183 PolarHBondContact O-N 2.95Å; A179-A184 PolarHBondContact N-O 2.93Å; A179-A184 PolarHBondContact O-N 3.25Å; A179-I186 HydrophobicContact CB-CD1 3.6Å; A179-I186 HydrophobicContact CB-CG1 4Å
180	D	88.2	Confident	88.2	Confident	127 Å²	127	72.6 Å²	72.6	68%	0.679	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-25.1	-172.9	-65.8	-32.1	0	0	0	113
181	D	90	Very high	87.4	Confident	135 Å²	135	71.7 Å²	71.7	72%	0.722	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-37.6	-179.9	62.6	-31.5	0	0	0	112.9	A179	A179-D181 WeakPolarHBondContact CB-OD1 3.39Å; A179-D181 PolarHBondContact O-N 3.25Å
182	I	91	Very high	86.4	Confident	110 Å²	110	74.5 Å²	74.5	56%	0.564	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.6	0.2	-179.5	59.5	169.7	0	0	0	113.5	A179 A184	A179-I182 HydrophobicContact CB-CD1 4.06Å; A179-I182 HydrophobicContact CB-CG1 3.58Å; A179-I182 PolarHBondContact O-N 3.37Å; I182-A184 HydrophobicContact CB-CB 4.46Å; I182-A184 HydrophobicContact CD1-CB 3.55Å; I182-A184 HydrophobicContact CG1-CB 3.66Å; I182-A184 PolarHBondContact O-N 3.05Å
183	F	86.9	Confident	85.3	Confident	183 Å²	183	80.4 Å²	80.4	80%	0.803	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.3	38.9	-173.8	-64.6	-83.4	0	0	0	113.2	A179	A179-F183 VanDerWaalsContact O-CA 3.27Å; A179-F183 WeakPolarHBondContact O-CA 3.27Å; A179-F183 PolarHBondContact O-N 2.95Å
184	A	89.3	Confident	83.6	Confident	35 Å²	35	88.4 Å²	88.4	29%	0.289	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	150.4	-176	0	0	0	0	0	111.9	A179 I182	A179-A184 PolarHBondContact N-O 2.93Å; A179-A184 PolarHBondContact O-N 3.25Å; I182-A184 HydrophobicContact CB-CB 4.46Å; I182-A184 HydrophobicContact CD1-CB 3.55Å; I182-A184 HydrophobicContact CG1-CB 3.66Å; I182-A184 PolarHBondContact O-N 3.05Å
185	V	90.3	Very high	82	Confident	103 Å²	103	92.4 Å²	92.4	62%	0.624	49%	0.493	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.6	115.8	171.6	-179.1	0	0	0	0	108.8	I176	I176-V185 HydrophobicContact CG2-CG1 3.42Å; I176-V185 VanDerWaalsContact CG2-CG1 3.42Å
186	I	89.6	Confident	80.3	Confident	72 Å²	72	97.5 Å²	97.5	37%	0.369	53%	0.528	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	124	174	-61.8	-176.4	0	0	0	109	I176 N177 A179	I176-I186 CarbonylContact C-O 3.59Å; I176-I186 WeakPolarHBondContact CA-O 3.39Å; N177-I186 PolarHBondContact N-O 3.47Å; N177-I186 PolarHBondContact O-N 3.07Å; A179-I186 HydrophobicContact CB-CD1 3.6Å; A179-I186 HydrophobicContact CB-CG1 4Å
187	V	91	Very high	78.9	Confident	65 Å²	65	98.9 Å²	98.9	39%	0.394	54%	0.536	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	117.6	169.7	-175	0	0	0	0	108.7	F174 S175 I176	F174-V187 HydrophobicContact CB-CG1 4.13Å; F174-V187 HydrophobicContact CD2-CG1 4.09Å; F174-V187 HydrophobicContact CG-CG1 4.27Å; S175-V187 WeakPolarHBondContact O-CA 3.45Å; I176-V187 HydrophobicContact CG1-CG2 4.47Å
188	S	90.3	Very high	77.5	Confident	46 Å²	46	102.1 Å²	102.1	32%	0.322	55%	0.547	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	151	178.8	-53.1	0	0	0	0	110.7	F174 S175	F174-S188 CarbonylContact C-O 3.48Å; F174-S188 WeakPolarHBondContact CA-O 3.34Å; F174-S188 VanDerWaalsContact CB-O 3.25Å; F174-S188 WeakPolarHBondContact CB-O 3.45Å; S175-S188 PolarHBondContact N-O 3.34Å; S175-S188 PolarHBondContact O-N 3.34Å
189	T	89.1	Confident	76.4	Confident	90 Å²	90	105 Å²	105	55%	0.552	56%	0.556	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-61	137.5	169.2	50.4	0	0	0	0	110.1	F205	T189-F205 HydrophobicContact CG2-CD1 3.84Å; T189-F205 HydrophobicContact CG2-CD2 4.33Å; T189-F205 HydrophobicContact CG2-CE1 3.33Å; T189-F205 HydrophobicContact CG2-CE2 3.91Å; T189-F205 HydrophobicContact CG2-CG 4.31Å; T189-F205 HydrophobicContact CG2-CZ 3.38Å
190	S	81.7	Confident	75.2	Confident	24 Å²	24	108.5 Å²	108.5	17%	0.168	58%	0.576	C	S	.	*			trans	-75.8	159.3	175.6	-158	0	0	0	0	111.2	S171 L173 I192	S171-S190 WeakPolarHBondContact O-CB 3.24Å; S171-S190 PolarHBondContact O-OG 3.4Å; L173-S190 PolarHBondContact O-N 3.26Å; L173-S190 VanDerWaalsContact O-N 3.16Å; S190-I192 PolarHBondContact O-N 3.44Å; S190-I192 VanDerWaalsContact O-N 3.09Å
191	T	71	Confident	73.9	Confident	122 Å²	122	104.5 Å²	104.5	75%	0.748	55%	0.554	S	S	*	*			trans	-69.1	107.4	173.7	-48	0	0	0	0	108.8	Y193	T191-Y193 PolarHBondContact O-N 2.94Å
192	I	64.8	Low	73	Confident	63 Å²	63	103.9 Å²	103.9	32%	0.323	54%	0.542	S	S	.	.			trans	-74.9	108.4	171.1	-61.5	168.2	0	0	0	106.4	S190 L194 F198 L201	S190-I192 PolarHBondContact O-N 3.44Å; S190-I192 VanDerWaalsContact O-N 3.09Å; I192-L194 PolarHBondContact O-N 3.17Å; I192-F198 HydrophobicContact CD1-CD2 4.31Å; I192-F198 HydrophobicContact CD1-CE2 4.37Å; I192-L201 HydrophobicContact CD1-CB 4.13Å; I192-L201 HydrophobicContact CD1-CD1 4.18Å; I192-L201 HydrophobicContact CG1-CD1 4.41Å; I192-L201 HydrophobicContact CG2-CD1 4.05Å
193	Y	60	Low	72.1	Confident	198 Å²	198	101.2 Å²	101.2	78%	0.776	53%	0.534	S	S	*	.			trans	-53.5	130.1	157.6	-68.4	-80.1	0	0	0	106.4	T191 I195	T191-Y193 PolarHBondContact O-N 2.94Å; Y193-I195 WeakPolarHBondContact O-CG1 3.48Å; Y193-I195 PolarHBondContact O-N 2.97Å
194	L	50	Low	71.3	Confident	187 Å²	187	95.8 Å²	95.8	98%	0.979	51%	0.511	S	S	*	.			trans	-50.4	82.4	-175.4	-73.1	161.7	0	0	0	111.5	I192	I192-L194 PolarHBondContact O-N 3.17Å
195	I	53.4	Low	70.4	Confident	107 Å²	107	95.5 Å²	95.5	55%	0.549	50%	0.504	S	S	.	.			trans	-99.7	126.9	168.9	-60.8	162.1	0	0	0	103.2	Y193 N197	Y193-I195 WeakPolarHBondContact O-CG1 3.48Å; Y193-I195 PolarHBondContact O-N 2.97Å; I195-N197 PolarHBondContact O-N 3.37Å
196	S	54.9	Low	69.8	Low	118 Å²	118	93.8 Å²	93.8	83%	0.825	49%	0.491	S	S	*	.	S	Bend	trans	-53.4	3.6	-171.8	50.5	0	0	0	0	117.1
197	N	59	Low	69.1	Low	93 Å²	93	95 Å²	95	50%	0.497	50%	0.498	S	S	.	.			trans	-113.5	43.9	-176.4	-85.6	-54	0	0	0	113.4	I195 F199 V200 L201	I195-N197 PolarHBondContact O-N 3.37Å; N197-F199 PolarHBondContact O-N 3.45Å; N197-V200 HydrophobicContact CB-CB 4.5Å; N197-V200 HydrophobicContact CB-CG2 4.45Å; N197-V200 PolarHBondContact O-N 2.95Å; N197-L201 PolarHBondContact O-N 2.91Å
198	F	60.3	Low	68.1	Low	135 Å²	135	94.4 Å²	94.4	59%	0.592	49%	0.492	S	S	*	.	H	α-helix	trans	-51.7	-40	178.2	-173	-95.5	0	0	0	113	I192 V200 Y202	I192-F198 HydrophobicContact CD1-CD2 4.31Å; I192-F198 HydrophobicContact CD1-CE2 4.37Å; F198-V200 PolarHBondContact O-N 3.37Å; F198-Y202 WeakPolarHBondContact O-CB 3.43Å; F198-Y202 PolarHBondContact O-N 3Å
199	F	63.7	Low	67.4	Low	180 Å²	180	95.2 Å²	95.2	79%	0.789	49%	0.493	S	S	*	.	H	α-helix	trans	-65.8	-39.2	-176.8	-130	-92.5	0	0	0	113.3	N197 S203	N197-F199 PolarHBondContact O-N 3.45Å; F199-S203 PolarHBondContact O-N 3.21Å; F199-S203 VanDerWaalsContact O-N 3.12Å
200	V	64.1	Low	66.7	Low	86 Å²	86	99.4 Å²	99.4	52%	0.521	50%	0.498	S	S	.	.	H	α-helix	trans	-69.4	-46.2	-178.9	-177.9	0	0	0	0	109.9	N197 F198 Y202 S203 M204	N197-V200 HydrophobicContact CB-CB 4.5Å; N197-V200 HydrophobicContact CB-CG2 4.45Å; N197-V200 PolarHBondContact O-N 2.95Å; F198-V200 PolarHBondContact O-N 3.37Å; V200-Y202 PolarHBondContact O-N 2.94Å; V200-S203 PolarHBondContact O-N 3.42Å; V200-S203 PolarHBondContact O-OG 3.39Å; V200-M204 WeakPolarHBondContact O-CB 3.39Å; V200-M204 PolarHBondContact O-N 2.9Å
201	L	61.8	Low	66.1	Low	43 Å²	43	102.5 Å²	102.5	23%	0.225	52%	0.516	C	S	.	.	H	α-helix	trans	-61.4	-42.9	178	-81.5	157.4	0	0	0	112.1	L173 I192 N197 M204 F205	L173-L201 HydrophobicContact CD2-CD2 3.52Å; I192-L201 HydrophobicContact CD1-CB 4.13Å; I192-L201 HydrophobicContact CD1-CD1 4.18Å; I192-L201 HydrophobicContact CG1-CD1 4.41Å; I192-L201 HydrophobicContact CG2-CD1 4.05Å; N197-L201 PolarHBondContact O-N 2.91Å; L201-M204 PolarHBondContact O-N 3.29Å; L201-F205 WeakPolarHBondContact O-CB 3.47Å; L201-F205 PolarHBondContact O-N 2.95Å
202	Y	71	Confident	65.7	Low	121 Å²	121	100.8 Å²	100.8	48%	0.475	50%	0.502	S	S	.	.	H	α-helix	trans	-63	-44.2	177.8	-173.1	-103.2	0	0	0	112.3	F198 V200 M204 F205 L206	F198-Y202 WeakPolarHBondContact O-CB 3.43Å; F198-Y202 PolarHBondContact O-N 3Å; V200-Y202 PolarHBondContact O-N 2.94Å; Y202-M204 VanDerWaalsContact C-N 3.3Å; Y202-M204 PolarHBondContact O-N 3.44Å; Y202-F205 PolarHBondContact O-N 3.03Å; Y202-L206 HydrophobicContact CD1-CD1 3.81Å; Y202-L206 HydrophobicContact CD1-CG 4.38Å; Y202-L206 HydrophobicContact CE1-CD1 3.3Å; Y202-L206 HydrophobicContact CE1-CG 4Å; Y202-L206 PolarHBondContact O-N 2.83Å
203	S	71.2	Confident	65.7	Low	55 Å²	55	101.6 Å²	101.6	39%	0.385	51%	0.51	S	S	.	.	H	α-helix	trans	-62.1	-38.2	175.5	75.8	0	0	0	0	112.6	F199 V200 L206 N207	F199-S203 PolarHBondContact O-N 3.21Å; F199-S203 VanDerWaalsContact O-N 3.12Å; V200-S203 PolarHBondContact O-N 3.42Å; V200-S203 PolarHBondContact O-OG 3.39Å; S203-L206 PolarHBondContact O-N 3.28Å; S203-N207 PolarHBondContact O-N 2.95Å; S203-N207 PolarHBondContact O-ND2 3.48Å
204	M	70.8	Confident	65.5	Low	68 Å²	68	97.6 Å²	97.6	34%	0.335	50%	0.501	S	S	.	.	H	α-helix	trans	-68.5	-41.2	179.6	-165.7	174.8	-173	0	0	110.9	L157 V200 L201 Y202 N207 L208	L157-M204 HydrophobicContact CD1-CE 3.56Å; L157-M204 HydrophobicContact CD2-CE 3.48Å; L157-M204 VanDerWaalsContact CD2-CE 3.48Å; L157-M204 HydrophobicContact CG-CE 4.15Å; V200-M204 WeakPolarHBondContact O-CB 3.39Å; V200-M204 PolarHBondContact O-N 2.9Å; L201-M204 PolarHBondContact O-N 3.29Å; Y202-M204 VanDerWaalsContact C-N 3.3Å; Y202-M204 PolarHBondContact O-N 3.44Å; M204-N207 PolarHBondContact O-N 2.91Å; M204-L208 HydrophobicContact CG-CD1 4.39Å; M204-L208 WeakPolarHBondContact O-CB 3.36Å; M204-L208 PolarHBondContact O-N 3.46Å
205	F	71	Confident	65.5	Low	29 Å²	29	95.3 Å²	95.3	13%	0.127	49%	0.485	C	S	.	.	H	α-helix	trans	-62.7	-45.4	174.4	179.5	-105.3	0	0	0	112.3	F174 T189 L201 Y202 N207 L208 L209	F174-F205 HydrophobicContact CB-CD2 4.41Å; F174-F205 HydrophobicContact CB-CE2 3.93Å; T189-F205 HydrophobicContact CG2-CD1 3.84Å; T189-F205 HydrophobicContact CG2-CD2 4.33Å; T189-F205 HydrophobicContact CG2-CE1 3.33Å; T189-F205 HydrophobicContact CG2-CE2 3.91Å; T189-F205 HydrophobicContact CG2-CG 4.31Å; T189-F205 HydrophobicContact CG2-CZ 3.38Å; L201-F205 WeakPolarHBondContact O-CB 3.47Å; L201-F205 PolarHBondContact O-N 2.95Å; Y202-F205 PolarHBondContact O-N 3.03Å; F205-N207 VanDerWaalsContact C-N 3.34Å; F205-N207 PolarHBondContact O-N 3.35Å; F205-L208 PolarHBondContact O-N 3.39Å; F205-L209 HydrophobicContact CD1-CD1 3.72Å; F205-L209 HydrophobicContact CE1-CD1 3.13Å; F205-L209 HydrophobicContact CE1-CG 4.27Å; F205-L209 HydrophobicContact CE2-CD1 4.15Å; F205-L209 HydrophobicContact CG-CD1 4.44Å; F205-L209 HydrophobicContact CZ-CD1 3.38Å; F205-L209 HydrophobicContact CZ-CG 4.14Å; F205-L209 PolarHBondContact O-N 3.46Å
206	L	78	Confident	65.6	Low	68 Å²	68	96.4 Å²	96.4	36%	0.356	50%	0.496	S	S	.	.	H	α-helix	trans	-61.9	-40.1	176.4	-76.6	177.3	0	0	0	112.6	Y202 S203 L209 R210	Y202-L206 HydrophobicContact CD1-CD1 3.81Å; Y202-L206 HydrophobicContact CD1-CG 4.38Å; Y202-L206 HydrophobicContact CE1-CD1 3.3Å; Y202-L206 HydrophobicContact CE1-CG 4Å; Y202-L206 PolarHBondContact O-N 2.83Å; S203-L206 PolarHBondContact O-N 3.28Å; L206-L209 PolarHBondContact O-N 3.3Å; L206-R210 WeakPolarHBondContact O-CG 3.5Å; L206-R210 PolarHBondContact O-N 2.97Å
207	N	74.2	Confident	65.6	Low	96 Å²	96	101.2 Å²	101.2	51%	0.513	50%	0.496	S	S	.	.	H	α-helix	trans	-65.9	-42	175.9	-78.3	-30.4	0	0	0	111.8	S203 M204 F205 R210 T211	S203-N207 PolarHBondContact O-N 2.95Å; S203-N207 PolarHBondContact O-ND2 3.48Å; M204-N207 PolarHBondContact O-N 2.91Å; F205-N207 VanDerWaalsContact C-N 3.34Å; F205-N207 PolarHBondContact O-N 3.35Å; N207-R210 WeakPolarHBondContact O-CB 3.35Å; N207-R210 PolarHBondContact O-N 3.46Å; N207-T211 PolarHBondContact O-N 2.96Å; N207-T211 PolarHBondContact O-OG1 2.97Å; N207-T211 VanDerWaalsContact O-OG1 3.07Å
208	L	70.6	Confident	65.2	Low	53 Å²	53	104.1 Å²	104.1	28%	0.277	52%	0.517	S	S	.	.	H	α-helix	trans	-62.2	-43.6	175.3	-105.1	139.1	0	0	0	112.5	L173 F174 M204 F205 R210 T211 L212	L173-L208 HydrophobicContact CD1-CD1 4.03Å; F174-L208 HydrophobicContact CE1-CD2 4.42Å; M204-L208 HydrophobicContact CG-CD1 4.39Å; M204-L208 WeakPolarHBondContact O-CB 3.36Å; M204-L208 PolarHBondContact O-N 3.46Å; F205-L208 PolarHBondContact O-N 3.39Å; L208-R210 VanDerWaalsContact C-N 3.33Å; L208-R210 PolarHBondContact O-N 2.97Å; L208-T211 PolarHBondContact O-N 3.35Å; L208-L212 HydrophobicContact CD2-CD1 4.34Å; L208-L212 WeakPolarHBondContact O-CB 3.29Å; L208-L212 PolarHBondContact O-N 3.01Å
209	L	75.2	Confident	65.4	Low	63 Å²	63	102.6 Å²	102.6	33%	0.33	51%	0.513	S	S	.	.	H	α-helix	trans	-59.6	-43.5	173.9	-95.9	162.3	0	0	0	111.7	F205 L206 T211 L212 V213	F205-L209 HydrophobicContact CD1-CD1 3.72Å; F205-L209 HydrophobicContact CE1-CD1 3.13Å; F205-L209 HydrophobicContact CE1-CG 4.27Å; F205-L209 HydrophobicContact CE2-CD1 4.15Å; F205-L209 HydrophobicContact CG-CD1 4.44Å; F205-L209 HydrophobicContact CZ-CD1 3.38Å; F205-L209 HydrophobicContact CZ-CG 4.14Å; F205-L209 PolarHBondContact O-N 3.46Å; L206-L209 PolarHBondContact O-N 3.3Å; L209-T211 VanDerWaalsContact C-N 3.34Å; L209-T211 PolarHBondContact O-N 3Å; L209-L212 PolarHBondContact O-N 3.33Å; L209-V213 WeakPolarHBondContact O-CB 3.33Å; L209-V213 VanDerWaalsContact O-CG2 3.23Å; L209-V213 WeakPolarHBondContact O-CG2 3.27Å; L209-V213 PolarHBondContact O-N 3.31Å
210	R	73.3	Confident	65.5	Low	179 Å²	179	98.5 Å²	98.5	68%	0.675	50%	0.499	S	S	*	.	H	α-helix	trans	-59.6	-45.3	175.2	-75.6	179.3	178.1	-156.1	-0.1	111.3	L206 N207 L208 I214	L206-R210 WeakPolarHBondContact O-CG 3.5Å; L206-R210 PolarHBondContact O-N 2.97Å; N207-R210 WeakPolarHBondContact O-CB 3.35Å; N207-R210 PolarHBondContact O-N 3.46Å; L208-R210 VanDerWaalsContact C-N 3.33Å; L208-R210 PolarHBondContact O-N 2.97Å; R210-I214 VanDerWaalsContact O-CD1 3.3Å; R210-I214 WeakPolarHBondContact O-CD1 3.38Å; R210-I214 WeakPolarHBondContact O-CG1 3.34Å; R210-I214 PolarHBondContact O-N 3.04Å; R210-I214 VanDerWaalsContact O-N 3.08Å
211	T	69.8	Low	65.6	Low	89 Å²	89	99.2 Å²	99.2	55%	0.546	50%	0.498	S	S	.	.	H	α-helix	trans	-64.7	-42.9	178.6	-51.2	0	0	0	0	112.4	N207 L208 L209 I214 H215	N207-T211 PolarHBondContact O-N 2.96Å; N207-T211 PolarHBondContact O-OG1 2.97Å; N207-T211 VanDerWaalsContact O-OG1 3.07Å; L208-T211 PolarHBondContact O-N 3.35Å; L209-T211 VanDerWaalsContact C-N 3.34Å; L209-T211 PolarHBondContact O-N 3Å; T211-I214 PolarHBondContact O-N 3.42Å; T211-H215 PolarHBondContact O-N 3.39Å; T211-H215 VanDerWaalsContact O-N 3.09Å
212	L	61.9	Low	65.8	Low	85 Å²	85	102.5 Å²	102.5	45%	0.445	51%	0.514	S	S	.	.	H	α-helix	trans	-67.2	-42.3	178.9	-83.6	155.8	0	0	0	112.2	L208 L209 I214 H215 V216	L208-L212 HydrophobicContact CD2-CD1 4.34Å; L208-L212 WeakPolarHBondContact O-CB 3.29Å; L208-L212 PolarHBondContact O-N 3.01Å; L209-L212 PolarHBondContact O-N 3.33Å; L212-I214 VanDerWaalsContact C-N 3.29Å; L212-I214 PolarHBondContact O-N 3.48Å; L212-H215 PolarHBondContact O-N 3.41Å; L212-H215 VanDerWaalsContact O-N 3.16Å; L212-V216 WeakPolarHBondContact O-CG2 3.49Å; L212-V216 PolarHBondContact O-N 3.13Å; L212-V216 VanDerWaalsContact O-N 3.11Å
213	V	64.5	Low	65.5	Low	81 Å²	81	101.3 Å²	101.3	49%	0.491	52%	0.516	S	S	.	.	H	α-helix	trans	-64.7	-34.8	176.8	171.9	0	0	0	0	111.5	L209 R217	L209-V213 WeakPolarHBondContact O-CB 3.33Å; L209-V213 VanDerWaalsContact O-CG2 3.23Å; L209-V213 WeakPolarHBondContact O-CG2 3.27Å; L209-V213 PolarHBondContact O-N 3.31Å; V213-R217 PolarHBondContact O-N 3.49Å
214	I	57	Low	65.1	Low	113 Å²	113	104.4 Å²	104.4	58%	0.579	53%	0.525	S	S	*	.	H	α-helix	trans	-64.9	-43	173.6	-68.7	163.2	0	0	0	110.3	R210 T211 L212 V216 R217 T218	R210-I214 VanDerWaalsContact O-CD1 3.3Å; R210-I214 WeakPolarHBondContact O-CD1 3.38Å; R210-I214 WeakPolarHBondContact O-CG1 3.34Å; R210-I214 PolarHBondContact O-N 3.04Å; R210-I214 VanDerWaalsContact O-N 3.08Å; T211-I214 PolarHBondContact O-N 3.42Å; L212-I214 VanDerWaalsContact C-N 3.29Å; L212-I214 PolarHBondContact O-N 3.48Å; I214-V216 VanDerWaalsContact C-N 3.32Å; I214-V216 PolarHBondContact O-N 3.38Å; I214-R217 PolarHBondContact O-N 3.19Å; I214-T218 PolarHBondContact O-N 3.49Å; I214-T218 PolarHBondContact O-OG1 3.37Å
215	H	50.5	Low	64.7	Low	140 Å²	140	107 Å²	107	65%	0.648	54%	0.539	S	S	*	.	H	α-helix	trans	-74	-19.9	-175.2	-140.6	-45.4	0	0	0	114.5	T211 L212 T218	T211-H215 PolarHBondContact O-N 3.39Å; T211-H215 VanDerWaalsContact O-N 3.09Å; L212-H215 PolarHBondContact O-N 3.41Å; L212-H215 VanDerWaalsContact O-N 3.16Å; H215-T218 PolarHBondContact O-OG1 3.39Å
216	V	54.3	Low	64.2	Low	129 Å²	129	113 Å²	113	78%	0.782	57%	0.57	S	S	*	*	H	α-helix	trans	-84.5	-16.7	173.1	175.8	0	0	0	0	111.9	L212 I214	L212-V216 WeakPolarHBondContact O-CG2 3.49Å; L212-V216 PolarHBondContact O-N 3.13Å; L212-V216 VanDerWaalsContact O-N 3.11Å; I214-V216 VanDerWaalsContact C-N 3.32Å; I214-V216 PolarHBondContact O-N 3.38Å
217	R	55.2	Low	63	Low	220 Å²	220	116.8 Å²	116.8	83%	0.83	59%	0.588	S	S	*	*	H	α-helix	trans	-96.5	-7.1	179	-105.4	179.1	177.7	168.6	-0	114.7	V213 I214	V213-R217 PolarHBondContact O-N 3.49Å; I214-R217 PolarHBondContact O-N 3.19Å
218	T	49.7	Very low	62	Low	153 Å²	153	118.6 Å²	118.6	94%	0.939	60%	0.595	S	S	*	*			trans	-105.6	0	172.3	52.6	0	0	0	0	110.5	I214 H215	I214-T218 PolarHBondContact O-N 3.49Å; I214-T218 PolarHBondContact O-OG1 3.37Å; H215-T218 PolarHBondContact O-OG1 3.39Å

Retrieved 218 of 218 residues in 479.8 ms (Link to these results)

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