A0A077Z912_TRITR Loading...

Thioredoxin transmembrane protein 2

AlphaFold DB , UniProt , Accession A0A077Z912, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 241 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	40.5	Very low	39.1	Very low	236 Å²	236	146.8 Å²	146.8	100%	1.163	80%	0.8	S	S	*	*				0	66.3	0	-159.4	156	72.7	0	0	108.5
2	S	41.8	Very low	39.8	Very low	120 Å²	120	145.4 Å²	145.4	84%	0.839	78%	0.78	S	S	*	*			trans	-125.6	28.5	-160.5	40.8	0	0	0	0	112.5
3	E	36.2	Very low	39.9	Very low	182 Å²	182	137.6 Å²	137.6	85%	0.85	76%	0.755	S	S	*	*			trans	-120.7	14.1	-173.8	-75	-173.4	124.4	0	0	115
4	L	38.9	Very low	40.4	Very low	174 Å²	174	135.6 Å²	135.6	91%	0.911	74%	0.743	S	S	*	*	S	Bend	trans	-99.8	1.3	-175.2	-102.5	154.2	0	0	0	116.2
5	S	44.4	Very low	40.8	Very low	118 Å²	118	138.3 Å²	138.3	83%	0.825	74%	0.738	S	S	*	*	S	Bend	trans	-104.9	-14.8	-177.3	-157.7	0	0	0	0	116.3
6	E	36.8	Very low	41.7	Very low	180 Å²	180	135.2 Å²	135.2	84%	0.841	72%	0.72	S	S	*	*	S	Bend	trans	-97.7	-9.3	-167.4	-140.6	173.9	165.8	0	0	115.6	G8	E6-G8 PolarHBondContact O-N 3.3Å
7	K	34	Very low	42.3	Very low	207 Å²	207	135.9 Å²	135.9	90%	0.9	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.4	7.8	-177.4	-69.1	-173.9	178.3	174.5	0	115.5
8	G	34.5	Very low	42.6	Very low	48 Å²	48	132.5 Å²	132.5	50%	0.495	70%	0.704	S	S	.	*	T	Hydrogen-bonded Turn	trans	-88.6	-23.5	-173.8	0	0	0	0	0	117.5	E6	E6-G8 PolarHBondContact O-N 3.3Å
9	H	45.4	Very low	43.2	Very low	155 Å²	155	131.8 Å²	131.8	72%	0.718	69%	0.694	S	S	*	*	S	Bend	trans	-107.7	-25.8	-163.9	-90.7	-70.5	0	0	0	116.6	G11	H9-G11 VanDerWaalsContact C-N 3.29Å; H9-G11 PolarHBondContact O-N 3.35Å
10	I	41	Very low	43.9	Very low	146 Å²	146	128.2 Å²	128.2	75%	0.749	68%	0.684	S	S	*	*	H	α-helix	trans	-74.6	-21.4	-179.5	-61.9	170.4	0	0	0	112
11	G	36.2	Very low	44.5	Very low	49 Å²	49	127.8 Å²	127.8	51%	0.505	68%	0.681	S	S	.	*	H	α-helix	trans	-80.7	-28.9	-177.2	0	0	0	0	0	116	H9 R15	H9-G11 VanDerWaalsContact C-N 3.29Å; H9-G11 PolarHBondContact O-N 3.35Å; G11-R15 WeakPolarHBondContact O-CB 3.39Å; G11-R15 PolarHBondContact O-N 3.07Å; G11-R15 VanDerWaalsContact O-N 3.15Å
12	K	48.2	Very low	45.4	Very low	130 Å²	130	120 Å²	120	57%	0.565	65%	0.647	S	S	*	*	H	α-helix	trans	-79.1	-42	-170.5	-90.6	176.1	178.7	168.3	0	113.8	R15 L16	K12-R15 PolarHBondContact O-N 3.16Å; K12-L16 PolarHBondContact O-N 3.15Å
13	G	40.7	Very low	46.2	Very low	44 Å²	44	116.3 Å²	116.3	45%	0.454	62%	0.616	S	S	.	*	H	α-helix	trans	-63.8	-42.8	177.7	0	0	0	0	0	112.6	K17	G13-K17 WeakPolarHBondContact O-CB 3.45Å; G13-K17 WeakPolarHBondContact O-CG 3.3Å; G13-K17 PolarHBondContact O-N 3.42Å
14	N	46.3	Very low	47.2	Very low	109 Å²	109	111.7 Å²	111.7	58%	0.583	60%	0.601	S	S	*	*	H	α-helix	trans	-67.1	-36.1	174.6	-79.1	-8.5	0	0	0	112.4	C18	N14-C18 WeakPolarHBondContact O-CB 3.47Å; N14-C18 PolarHBondContact O-N 3.22Å
15	R	46.7	Very low	48.1	Very low	177 Å²	177	111.7 Å²	111.7	67%	0.668	59%	0.593	S	S	*	*	H	α-helix	trans	-70	-36.4	178.3	-162.8	177.5	-146.9	-152.3	6.2	113	G11 K12 K19	G11-R15 WeakPolarHBondContact O-CB 3.39Å; G11-R15 PolarHBondContact O-N 3.07Å; G11-R15 VanDerWaalsContact O-N 3.15Å; K12-R15 PolarHBondContact O-N 3.16Å; R15-K19 WeakPolarHBondContact O-CG 3.38Å; R15-K19 PolarHBondContact O-N 3.47Å; R15-K19 VanDerWaalsContact O-N 3.12Å
16	L	54.8	Low	48.7	Very low	88 Å²	88	113.2 Å²	113.2	46%	0.461	58%	0.581	S	S	.	*	H	α-helix	trans	-73.7	-43.3	173.9	-103.4	92.2	0	0	0	112.3	K12 C18 K19 A20 P97	K12-L16 PolarHBondContact O-N 3.15Å; L16-C18 VanDerWaalsContact C-N 3.28Å; L16-C18 PolarHBondContact O-N 3.03Å; L16-K19 PolarHBondContact O-N 3.17Å; L16-K19 VanDerWaalsContact O-N 3.16Å; L16-A20 WeakPolarHBondContact O-CB 3.39Å; L16-A20 PolarHBondContact O-N 2.73Å; L16-P97 HydrophobicContact CD2-CG 4.21Å
17	K	51.8	Low	49.8	Very low	147 Å²	147	106.6 Å²	106.6	64%	0.639	55%	0.551	S	S	*	*	H	α-helix	trans	-57.1	-43	173.3	-78.3	-176.8	178	-179.4	0	111.3	G13 A20 L21	G13-K17 WeakPolarHBondContact O-CB 3.45Å; G13-K17 WeakPolarHBondContact O-CG 3.3Å; G13-K17 PolarHBondContact O-N 3.42Å; K17-A20 PolarHBondContact O-N 3.3Å; K17-L21 WeakPolarHBondContact O-CB 3.45Å; K17-L21 WeakPolarHBondContact O-CD1 3.44Å; K17-L21 VanDerWaalsContact O-CG 3.25Å; K17-L21 WeakPolarHBondContact O-CG 3.4Å; K17-L21 PolarHBondContact O-N 2.94Å
18	C	47.9	Very low	50.8	Low	75 Å²	75	100 Å²	100	51%	0.507	53%	0.53	S	S	.	.	H	α-helix	trans	-63.2	-43.1	176.2	-169.1	0	0	0	0	111.9	N14 L16 V22	N14-C18 WeakPolarHBondContact O-CB 3.47Å; N14-C18 PolarHBondContact O-N 3.22Å; L16-C18 VanDerWaalsContact C-N 3.28Å; L16-C18 PolarHBondContact O-N 3.03Å; C18-V22 VanDerWaalsContact O-CB 3.26Å; C18-V22 WeakPolarHBondContact O-CB 3.47Å; C18-V22 WeakPolarHBondContact O-CG2 3.29Å; C18-V22 PolarHBondContact O-N 3.43Å
19	K	55.5	Low	52.3	Low	120 Å²	120	100.6 Å²	100.6	52%	0.522	52%	0.524	S	S	.	.	H	α-helix	trans	-64.5	-47.8	175.6	-76.6	-177.8	175.5	-169.9	0	112.7	R15 L16 L21 V22 E23	R15-K19 WeakPolarHBondContact O-CG 3.38Å; R15-K19 PolarHBondContact O-N 3.47Å; R15-K19 VanDerWaalsContact O-N 3.12Å; L16-K19 PolarHBondContact O-N 3.17Å; L16-K19 VanDerWaalsContact O-N 3.16Å; K19-L21 PolarHBondContact O-N 2.89Å; K19-V22 PolarHBondContact O-N 3.49Å; K19-E23 WeakPolarHBondContact O-CB 3.35Å; K19-E23 WeakPolarHBondContact O-CG 3.48Å; K19-E23 PolarHBondContact O-N 3.4Å
20	A	57.4	Low	53.7	Low	59 Å²	59	100 Å²	100	49%	0.488	52%	0.523	S	S	.	.	H	α-helix	trans	-63.1	-42	178	0	0	0	0	0	111.7	L16 K17 E23 V24	L16-A20 WeakPolarHBondContact O-CB 3.39Å; L16-A20 PolarHBondContact O-N 2.73Å; K17-A20 PolarHBondContact O-N 3.3Å; A20-E23 PolarHBondContact O-N 3.24Å; A20-V24 WeakPolarHBondContact O-CB 3.46Å; A20-V24 VanDerWaalsContact O-CG2 3.24Å; A20-V24 WeakPolarHBondContact O-CG2 3.32Å; A20-V24 PolarHBondContact O-N 3.28Å
21	L	55.8	Low	55.4	Low	119 Å²	119	98.1 Å²	98.1	62%	0.623	51%	0.511	S	S	*	.	H	α-helix	trans	-66.3	-41	175.8	-78	166.2	0	0	0	112.7	K17 K19 E23 K25	K17-L21 WeakPolarHBondContact O-CB 3.45Å; K17-L21 WeakPolarHBondContact O-CD1 3.44Å; K17-L21 VanDerWaalsContact O-CG 3.25Å; K17-L21 WeakPolarHBondContact O-CG 3.4Å; K17-L21 PolarHBondContact O-N 2.94Å; K19-L21 PolarHBondContact O-N 2.89Å; L21-E23 VanDerWaalsContact C-N 3.33Å; L21-K25 WeakPolarHBondContact O-CB 3.43Å; L21-K25 PolarHBondContact O-N 3.06Å
22	V	59	Low	57.3	Low	73 Å²	73	97.5 Å²	97.5	44%	0.442	50%	0.495	S	S	.	.	H	α-helix	trans	-64.9	-38.2	176.6	168.8	0	0	0	0	110.9	C18 K19 R26	C18-V22 VanDerWaalsContact O-CB 3.26Å; C18-V22 WeakPolarHBondContact O-CB 3.47Å; C18-V22 WeakPolarHBondContact O-CG2 3.29Å; C18-V22 PolarHBondContact O-N 3.43Å; K19-V22 PolarHBondContact O-N 3.49Å; V22-R26 WeakPolarHBondContact O-CB 3.31Å; V22-R26 PolarHBondContact O-N 3.49Å
23	E	58.3	Low	58.8	Low	42 Å²	42	96.6 Å²	96.6	20%	0.196	50%	0.496	C	S	.	.	H	α-helix	trans	-75.7	-40.4	177	-66	-62.5	158.5	0	0	112.6	K19 A20 L21 K25 R26 I27 F94	K19-E23 WeakPolarHBondContact O-CB 3.35Å; K19-E23 WeakPolarHBondContact O-CG 3.48Å; K19-E23 PolarHBondContact O-N 3.4Å; A20-E23 PolarHBondContact O-N 3.24Å; L21-E23 VanDerWaalsContact C-N 3.33Å; E23-K25 VanDerWaalsContact C-N 3.28Å; E23-K25 PolarHBondContact O-N 3.02Å; E23-R26 CarbonylContact O-C 3.55Å; E23-R26 WeakPolarHBondContact O-CA 3.43Å; E23-R26 WeakPolarHBondContact O-CB 3.11Å; E23-R26 PolarHBondContact O-N 3.16Å; E23-R26 IonicContact OE1-CZ 2.8Å; E23-R26 IonicContact OE1-NH1 2.97Å; E23-R26 PolarHBondContact OE1-NH1 3.38Å; E23-R26 IonicContact OE2-CZ 3.72Å; E23-R26 IonicContact OE2-NE 3.8Å; E23-R26 IonicContact OE2-NH1 2.63Å; E23-R26 PolarHBondContact OE2-NH1 3.26Å; E23-I27 WeakPolarHBondContact O-CG1 3.29Å; E23-I27 PolarHBondContact O-N 3.1Å; E23-F94 HydrophobicContact CG-CE2 4.36Å
24	V	58.3	Low	60.8	Low	86 Å²	86	98.5 Å²	98.5	52%	0.521	49%	0.494	S	S	.	.	H	α-helix	trans	-60.2	-40.3	171.9	169.7	0	0	0	0	110.7	A20 R26 I27 C28	A20-V24 WeakPolarHBondContact O-CB 3.46Å; A20-V24 VanDerWaalsContact O-CG2 3.24Å; A20-V24 WeakPolarHBondContact O-CG2 3.32Å; A20-V24 PolarHBondContact O-N 3.28Å; V24-R26 PolarHBondContact O-N 2.97Å; V24-I27 PolarHBondContact O-N 3.46Å; V24-C28 PolarHBondContact O-N 3.46Å
25	K	57	Low	62.5	Low	174 Å²	174	95.2 Å²	95.2	76%	0.757	48%	0.476	S	S	*	.	H	α-helix	trans	-66	-26.6	173.6	-158.1	175.2	-171.3	-179.7	0	112.3	L21 E23 C28	L21-K25 WeakPolarHBondContact O-CB 3.43Å; L21-K25 PolarHBondContact O-N 3.06Å; E23-K25 VanDerWaalsContact C-N 3.28Å; E23-K25 PolarHBondContact O-N 3.02Å; K25-C28 CarbonylContact O-C 3.56Å
26	R	56.4	Low	64.2	Low	149 Å²	149	89.6 Å²	89.6	56%	0.562	47%	0.468	S	S	*	.	H	α-helix	trans	-78.8	-31.2	172.4	-164.4	-175	-78.1	156.5	-5.6	112.4	V22 E23 V24 T29	V22-R26 WeakPolarHBondContact O-CB 3.31Å; V22-R26 PolarHBondContact O-N 3.49Å; E23-R26 CarbonylContact O-C 3.55Å; E23-R26 WeakPolarHBondContact O-CA 3.43Å; E23-R26 WeakPolarHBondContact O-CB 3.11Å; E23-R26 PolarHBondContact O-N 3.16Å; E23-R26 IonicContact OE1-CZ 2.8Å; E23-R26 IonicContact OE1-NH1 2.97Å; E23-R26 PolarHBondContact OE1-NH1 3.38Å; E23-R26 IonicContact OE2-CZ 3.72Å; E23-R26 IonicContact OE2-NE 3.8Å; E23-R26 IonicContact OE2-NH1 2.63Å; E23-R26 PolarHBondContact OE2-NH1 3.26Å; V24-R26 PolarHBondContact O-N 2.97Å; R26-T29 WeakPolarHBondContact O-CG2 3.26Å; R26-T29 PolarHBondContact O-N 3.15Å
27	I	60.3	Low	65.8	Low	41 Å²	41	91.9 Å²	91.9	21%	0.21	47%	0.474	C	S	.	.	H	α-helix	trans	-75.6	-38.5	174.6	-60.7	161.1	0	0	0	110.8	E23 V24 T29 H32 V90	E23-I27 WeakPolarHBondContact O-CG1 3.29Å; E23-I27 PolarHBondContact O-N 3.1Å; V24-I27 PolarHBondContact O-N 3.46Å; I27-T29 PolarHBondContact O-N 3.4Å; I27-H32 PolarHBondContact O-ND1 2.8Å; I27-H32 VanDerWaalsContact O-ND1 3.11Å; I27-V90 HydrophobicContact CD1-CB 4.34Å; I27-V90 HydrophobicContact CD1-CG1 4.39Å; I27-V90 HydrophobicContact CD1-CG2 3.58Å; I27-V90 HydrophobicContact CG1-CG2 4.19Å
28	C	56.4	Low	67.5	Low	68 Å²	68	89.6 Å²	89.6	46%	0.459	47%	0.468	S	S	.	.	S	Bend	trans	-72.3	50.3	161	-77.4	0	0	0	0	110.8	V24 K25 M30	V24-C28 PolarHBondContact O-N 3.46Å; K25-C28 CarbonylContact O-C 3.56Å; C28-M30 PolarHBondContact O-N 3.16Å
29	T	64.4	Low	69.3	Low	61 Å²	61	87.9 Å²	87.9	37%	0.374	46%	0.457	S	S	.	.			trans	-47.8	137.4	169.3	49.2	0	0	0	0	108.4	R26 I27 H31 H32	R26-T29 WeakPolarHBondContact O-CG2 3.26Å; R26-T29 PolarHBondContact O-N 3.15Å; I27-T29 PolarHBondContact O-N 3.4Å; T29-H31 CarbonylContact O-C 3.56Å; T29-H31 PolarHBondContact O-N 3.46Å; T29-H32 PolarHBondContact O-N 3.04Å; T29-H32 PolarHBondContact OG1-CE1 2.87Å; T29-H32 PolarHBondContact OG1-ND1 3.37Å
30	M	74.4	Confident	70.8	Confident	143 Å²	143	84.7 Å²	84.7	70%	0.704	45%	0.453	S	S	*	.	H	α-helix	trans	-48.4	-29.9	-178	-164.7	-103.5	-153	0	0	112.6	C28 L33 M34	C28-M30 PolarHBondContact O-N 3.16Å; M30-L33 PolarHBondContact O-N 3.38Å; M30-M34 HydrophobicContact CE-CE 4.15Å; M30-M34 WeakPolarHBondContact O-CB 3.49Å; M30-M34 PolarHBondContact O-N 3.41Å; M30-M34 HydrophobicContact SD-CE 4.13Å
31	H	77.3	Confident	72.3	Confident	107 Å²	107	83.9 Å²	83.9	50%	0.495	45%	0.446	S	S	.	.	H	α-helix	trans	-55	-44.2	169.2	166.9	-96.8	0	0	0	115.2	T29 M34 N35	T29-H31 CarbonylContact O-C 3.56Å; T29-H31 PolarHBondContact O-N 3.46Å; H31-M34 PolarHBondContact O-N 3.28Å; H31-N35 PolarHBondContact CE1-ND2 3.41Å; H31-N35 PolarHBondContact NE2-ND2 3.22Å; H31-N35 WeakPolarHBondContact O-CB 3.41Å; H31-N35 PolarHBondContact O-N 2.9Å; H31-N35 PolarHBondContact O-OD1 2.99Å
32	H	76.2	Confident	73.8	Confident	35 Å²	35	81.1 Å²	81.1	16%	0.162	43%	0.429	C	S	.	.	H	α-helix	trans	-68.5	-39.4	179.2	-69	121.5	0	0	0	112.3	I27 T29 N35 A36 N83	I27-H32 PolarHBondContact O-ND1 2.8Å; I27-H32 VanDerWaalsContact O-ND1 3.11Å; T29-H32 PolarHBondContact O-N 3.04Å; T29-H32 PolarHBondContact OG1-CE1 2.87Å; T29-H32 PolarHBondContact OG1-ND1 3.37Å; H32-N35 PolarHBondContact O-N 3.32Å; H32-A36 WeakPolarHBondContact O-CB 3.32Å; H32-A36 PolarHBondContact O-N 2.88Å; H32-N83 PolarHBondContact CE1-OD1 3Å; H32-N83 PolarHBondContact NE2-ND2 3.4Å; H32-N83 PolarHBondContact NE2-OD1 2.91Å; H32-N83 VanDerWaalsContact NE2-OD1 3.14Å
33	L	79.9	Confident	75.2	Confident	112 Å²	112	83.1 Å²	83.1	59%	0.586	43%	0.43	S	S	*	.	H	α-helix	trans	-64.8	-42.5	174.2	-67.9	174.8	0	0	0	110.8	M30 A36 F37	M30-L33 PolarHBondContact O-N 3.38Å; L33-A36 PolarHBondContact O-N 3.47Å; L33-F37 WeakPolarHBondContact O-CB 3.2Å; L33-F37 PolarHBondContact O-N 3.02Å
34	M	83	Confident	76.6	Confident	84 Å²	84	84.1 Å²	84.1	41%	0.414	44%	0.439	S	S	.	.	H	α-helix	trans	-63.6	-42.8	175.7	-165	63.7	68.6	0	0	111.8	M30 H31 F37 L38	M30-M34 HydrophobicContact CE-CE 4.15Å; M30-M34 WeakPolarHBondContact O-CB 3.49Å; M30-M34 PolarHBondContact O-N 3.41Å; M30-M34 HydrophobicContact SD-CE 4.13Å; H31-M34 PolarHBondContact O-N 3.28Å; M34-F37 WeakPolarHBondContact O-CB 3.33Å; M34-F37 PolarHBondContact O-N 3.08Å; M34-F37 HydrophobicContact SD-CD1 4.47Å; M34-L38 HydrophobicContact CG-CD1 4.43Å; M34-L38 VanDerWaalsContact O-CG 3.31Å; M34-L38 WeakPolarHBondContact O-CG 3.49Å; M34-L38 PolarHBondContact O-N 3.39Å
35	N	81.5	Confident	78	Confident	40 Å²	40	80.6 Å²	80.6	21%	0.214	42%	0.418	C	S	.	.	H	α-helix	trans	-65.8	-41.2	176.7	-71.2	-8.4	0	0	0	112	H31 H32 F37 L38 C39 I79	H31-N35 PolarHBondContact CE1-ND2 3.41Å; H31-N35 PolarHBondContact NE2-ND2 3.22Å; H31-N35 WeakPolarHBondContact O-CB 3.41Å; H31-N35 PolarHBondContact O-N 2.9Å; H31-N35 PolarHBondContact O-OD1 2.99Å; H32-N35 PolarHBondContact O-N 3.32Å; N35-F37 VanDerWaalsContact C-N 3.29Å; N35-F37 PolarHBondContact O-N 2.81Å; N35-L38 PolarHBondContact O-N 2.91Å; N35-C39 WeakPolarHBondContact O-CB 2.94Å; N35-C39 PolarHBondContact O-N 3.34Å; N35-C39 PolarHBondContact O-SG 3.01Å; N35-I79 HydrophobicContact CB-CD1 4.2Å
36	A	82.4	Confident	79.4	Confident	59 Å²	59	73.5 Å²	73.5	49%	0.488	39%	0.387	S	S	.	.	H	α-helix	trans	-61.3	-41.6	174.2	0	0	0	0	0	111.1	H32 L33 C39 A40	H32-A36 WeakPolarHBondContact O-CB 3.32Å; H32-A36 PolarHBondContact O-N 2.88Å; L33-A36 PolarHBondContact O-N 3.47Å; A36-C39 PolarHBondContact O-N 3.34Å; A36-A40 WeakPolarHBondContact O-CB 3.47Å; A36-A40 PolarHBondContact O-N 2.99Å
37	F	88.9	Confident	80.9	Confident	136 Å²	136	69.6 Å²	69.6	60%	0.596	38%	0.38	S	S	*	.	H	α-helix	trans	-62.7	-46.4	174.3	176.5	-95.8	0	0	0	112.2	L33 M34 N35 C39 A40 A41	L33-F37 WeakPolarHBondContact O-CB 3.2Å; L33-F37 PolarHBondContact O-N 3.02Å; M34-F37 WeakPolarHBondContact O-CB 3.33Å; M34-F37 PolarHBondContact O-N 3.08Å; M34-F37 HydrophobicContact SD-CD1 4.47Å; N35-F37 VanDerWaalsContact C-N 3.29Å; N35-F37 PolarHBondContact O-N 2.81Å; F37-C39 PolarHBondContact O-N 3.38Å; F37-A40 PolarHBondContact O-N 3.41Å; F37-A41 VanDerWaalsContact O-CB 3.26Å; F37-A41 WeakPolarHBondContact O-CB 3.43Å; F37-A41 PolarHBondContact O-N 2.97Å
38	L	87.3	Confident	82.2	Confident	98 Å²	98	70.2 Å²	70.2	51%	0.513	39%	0.385	S	S	.	.	H	α-helix	trans	-62.7	-41.2	177.6	-71	173	0	0	0	111.9	M34 N35 A41 F42	M34-L38 HydrophobicContact CG-CD1 4.43Å; M34-L38 VanDerWaalsContact O-CG 3.31Å; M34-L38 WeakPolarHBondContact O-CG 3.49Å; M34-L38 PolarHBondContact O-N 3.39Å; N35-L38 PolarHBondContact O-N 2.91Å; L38-A41 PolarHBondContact O-N 2.84Å; L38-F42 WeakPolarHBondContact O-CB 3.49Å; L38-F42 PolarHBondContact O-N 2.95Å
39	C	85.5	Confident	83.6	Confident	40 Å²	40	70.5 Å²	70.5	27%	0.27	39%	0.386	S	S	.	.	H	α-helix	trans	-62.6	-44.8	173.7	-72.5	0	0	0	0	111.8	N35 A36 F37 F42 Y43 L72	N35-C39 WeakPolarHBondContact O-CB 2.94Å; N35-C39 PolarHBondContact O-N 3.34Å; N35-C39 PolarHBondContact O-SG 3.01Å; A36-C39 PolarHBondContact O-N 3.34Å; F37-C39 PolarHBondContact O-N 3.38Å; C39-F42 PolarHBondContact O-N 3.4Å; C39-Y43 WeakPolarHBondContact O-CB 3.32Å; C39-Y43 PolarHBondContact O-N 3.35Å; C39-L72 HydrophobicContact CB-CD2 4.43Å
40	A	86.9	Confident	84.7	Confident	52 Å²	52	72.2 Å²	72.2	43%	0.43	40%	0.4	S	S	.	.	H	α-helix	trans	-65.1	-42.9	177.1	0	0	0	0	0	111.6	A36 F37 F42 Y43 V44	A36-A40 WeakPolarHBondContact O-CB 3.47Å; A36-A40 PolarHBondContact O-N 2.99Å; F37-A40 PolarHBondContact O-N 3.41Å; A40-F42 VanDerWaalsContact C-N 3.35Å; A40-F42 PolarHBondContact O-N 3.42Å; A40-Y43 PolarHBondContact O-N 3Å; A40-V44 WeakPolarHBondContact O-CB 3.37Å; A40-V44 VanDerWaalsContact O-CG2 3.24Å; A40-V44 WeakPolarHBondContact O-CG2 3.2Å; A40-V44 PolarHBondContact O-N 3.3Å
41	A	89	Confident	85.4	Confident	43 Å²	43	68.6 Å²	68.6	36%	0.355	38%	0.383	S	S	.	.	H	α-helix	trans	-61.6	-42.1	177.2	0	0	0	0	0	111.7	F37 L38 V44 S45	F37-A41 VanDerWaalsContact O-CB 3.26Å; F37-A41 WeakPolarHBondContact O-CB 3.43Å; F37-A41 PolarHBondContact O-N 2.97Å; L38-A41 PolarHBondContact O-N 2.84Å; A41-V44 PolarHBondContact O-N 3.36Å; A41-S45 WeakPolarHBondContact O-CB 3.18Å; A41-S45 PolarHBondContact O-N 3.49Å; A41-S45 PolarHBondContact O-OG 2.9Å
42	F	87.8	Confident	85.9	Confident	60 Å²	60	63.5 Å²	63.5	26%	0.263	36%	0.36	S	S	.	.	H	α-helix	trans	-65.8	-41.5	174.4	-179.9	-100.5	0	0	0	112.6	L38 C39 A40 S45 K46 E68 L72	L38-F42 WeakPolarHBondContact O-CB 3.49Å; L38-F42 PolarHBondContact O-N 2.95Å; C39-F42 PolarHBondContact O-N 3.4Å; A40-F42 VanDerWaalsContact C-N 3.35Å; A40-F42 PolarHBondContact O-N 3.42Å; F42-S45 PolarHBondContact O-N 3.04Å; F42-S45 PolarHBondContact O-OG 2.92Å; F42-K46 HydrophobicContact CE2-CG 4.45Å; F42-K46 HydrophobicContact CZ-CG 4.28Å; F42-K46 PolarHBondContact O-N 2.82Å; F42-E68 HydrophobicContact CE1-CB 4.17Å; F42-E68 HydrophobicContact CE1-CG 4.4Å; F42-E68 HydrophobicContact CZ-CB 4.25Å; F42-E68 HydrophobicContact CZ-CG 3.96Å; F42-L72 HydrophobicContact CD1-CD1 4.39Å; F42-L72 HydrophobicContact CD1-CD2 4.42Å; F42-L72 HydrophobicContact CE1-CD1 4.47Å
43	Y	87.7	Confident	86.5	Confident	116 Å²	116	65.3 Å²	65.3	46%	0.455	37%	0.368	S	S	.	.	H	α-helix	trans	-61.4	-46.9	174.8	-177.7	-95.2	0	0	0	111.1	C39 A40 K46 V47 I64	C39-Y43 WeakPolarHBondContact O-CB 3.32Å; C39-Y43 PolarHBondContact O-N 3.35Å; A40-Y43 PolarHBondContact O-N 3Å; Y43-K46 PolarHBondContact O-N 2.89Å; Y43-V47 HydrophobicContact CD1-CG2 4.05Å; Y43-V47 HydrophobicContact CD2-CG2 4.21Å; Y43-V47 HydrophobicContact CE1-CB 4.32Å; Y43-V47 HydrophobicContact CE1-CG2 3.7Å; Y43-V47 HydrophobicContact CE2-CG2 3.86Å; Y43-V47 HydrophobicContact CG-CG2 4.29Å; Y43-V47 WeakPolarHBondContact O-CB 3.5Å; Y43-V47 VanDerWaalsContact O-CG2 3.31Å; Y43-V47 WeakPolarHBondContact O-CG2 3.33Å; Y43-V47 PolarHBondContact O-N 3.49Å; Y43-I64 HydrophobicContact CD2-CD1 3.42Å; Y43-I64 VanDerWaalsContact CD2-CD1 3.42Å; Y43-I64 HydrophobicContact CE2-CD1 3.6Å; Y43-I64 HydrophobicContact CG-CD1 4.46Å
44	V	88.4	Confident	87	Confident	63 Å²	63	68.6 Å²	68.6	38%	0.382	38%	0.378	S	S	.	.	H	α-helix	trans	-64.2	-42	179	170.1	0	0	0	0	111.6	A40 A41 K46 V47 V48 I51	A40-V44 WeakPolarHBondContact O-CB 3.37Å; A40-V44 VanDerWaalsContact O-CG2 3.24Å; A40-V44 WeakPolarHBondContact O-CG2 3.2Å; A40-V44 PolarHBondContact O-N 3.3Å; A41-V44 PolarHBondContact O-N 3.36Å; V44-K46 PolarHBondContact O-N 2.84Å; V44-V47 PolarHBondContact O-N 3.02Å; V44-V48 HydrophobicContact CG1-CG2 4.03Å; V44-V48 WeakPolarHBondContact O-CB 3.36Å; V44-V48 PolarHBondContact O-N 2.9Å; V44-I51 HydrophobicContact CG1-CD1 3.73Å
45	S	87.7	Confident	87.3	Confident	12 Å²	12	68.4 Å²	68.4	8%	0.084	38%	0.382	C	S	.	.	H	α-helix	trans	-63.3	-26	178.1	73.5	0	0	0	0	112.7	A41 F42 C52 Y56	A41-S45 WeakPolarHBondContact O-CB 3.18Å; A41-S45 PolarHBondContact O-N 3.49Å; A41-S45 PolarHBondContact O-OG 2.9Å; F42-S45 PolarHBondContact O-N 3.04Å; F42-S45 PolarHBondContact O-OG 2.92Å; S45-C52 WeakPolarHBondContact O-CA 3.24Å; S45-C52 WeakPolarHBondContact O-CB 3.27Å; S45-C52 PolarHBondContact O-N 3.35Å; S45-Y56 PolarHBondContact OG-OH 3.45Å
46	K	85.9	Confident	87.6	Confident	24 Å²	24	70.8 Å²	70.8	10%	0.104	39%	0.388	C	S	.	.	H	α-helix	trans	-92.7	-32.7	178.2	-73.4	-77.9	178.5	140.9	0	114	F42 Y43 V44 Y56 C62 I64 E68	F42-K46 HydrophobicContact CE2-CG 4.45Å; F42-K46 HydrophobicContact CZ-CG 4.28Å; F42-K46 PolarHBondContact O-N 2.82Å; Y43-K46 PolarHBondContact O-N 2.89Å; V44-K46 PolarHBondContact O-N 2.84Å; K46-Y56 HydrophobicContact CD-CD2 4.49Å; K46-Y56 HydrophobicContact CD-CE2 3.92Å; K46-Y56 VanDerWaalsContact CE-CE2 3.5Å; K46-Y56 VanDerWaalsContact CE-CZ 3.46Å; K46-Y56 HydrophobicContact CG-CE2 4.23Å; K46-C62 CarbonylContact O-C 3.59Å; K46-I64 HydrophobicContact CB-CG1 3.86Å; K46-E68 WeakPolarHBondContact CE-OE1 3.4Å; K46-E68 IonicContact NZ-OE1 3.82Å; K46-E68 PolarHBondContact NZ-OE1 2.86Å; K46-E68 IonicContact NZ-OE2 3.72Å
47	V	87.6	Confident	87.8	Confident	68 Å²	68	69.5 Å²	69.5	41%	0.412	38%	0.38	S	S	.	.	H	α-helix	trans	-83.7	-37	-176.4	169.5	0	0	0	0	112.7	Y43 V44 P49 I64	Y43-V47 HydrophobicContact CD1-CG2 4.05Å; Y43-V47 HydrophobicContact CD2-CG2 4.21Å; Y43-V47 HydrophobicContact CE1-CB 4.32Å; Y43-V47 HydrophobicContact CE1-CG2 3.7Å; Y43-V47 HydrophobicContact CE2-CG2 3.86Å; Y43-V47 HydrophobicContact CG-CG2 4.29Å; Y43-V47 WeakPolarHBondContact O-CB 3.5Å; Y43-V47 VanDerWaalsContact O-CG2 3.31Å; Y43-V47 WeakPolarHBondContact O-CG2 3.33Å; Y43-V47 PolarHBondContact O-N 3.49Å; V44-V47 PolarHBondContact O-N 3.02Å; V47-P49 VanDerWaalsContact O-CD 3.24Å; V47-P49 WeakPolarHBondContact O-CD 3.49Å; V47-I64 HydrophobicContact CG2-CD1 4.3Å
48	V	88.8	Confident	87.5	Confident	54 Å²	54	71.1 Å²	71.1	33%	0.327	39%	0.393	S	S	.	.	S	Bend	trans	-84.8	111.2	179.8	-178.4	0	0	0	0	108.7	V44 S50 I51 C52	V44-V48 HydrophobicContact CG1-CG2 4.03Å; V44-V48 WeakPolarHBondContact O-CB 3.36Å; V44-V48 PolarHBondContact O-N 2.9Å; V48-S50 VanDerWaalsContact C-N 3.27Å; V48-S50 PolarHBondContact O-N 3Å; V48-I51 HydrophobicContact CB-CB 4.17Å; V48-I51 HydrophobicContact CB-CD1 3.98Å; V48-I51 HydrophobicContact CB-CG1 4.08Å; V48-I51 HydrophobicContact CG1-CB 4.32Å; V48-I51 HydrophobicContact CG1-CD1 3.99Å; V48-I51 HydrophobicContact CG1-CG1 3.85Å; V48-I51 HydrophobicContact CG2-CD1 4.27Å; V48-I51 PolarHBondContact O-N 3.12Å; V48-I51 VanDerWaalsContact O-N 3.1Å; V48-C52 WeakPolarHBondContact O-CB 3.44Å; V48-C52 PolarHBondContact O-N 2.88Å
49	P	85.2	Confident	87	Confident	74 Å²	74	69.8 Å²	69.8	48%	0.481	40%	0.404	S	S	.	.	H	α-helix	trans	-59.5	-36.7	-174.4	-24.7	35.8	0	0	0	112.9	V47 I51 C52 H53	V47-P49 VanDerWaalsContact O-CD 3.24Å; V47-P49 WeakPolarHBondContact O-CD 3.49Å; P49-I51 PolarHBondContact O-N 2.94Å; P49-C52 PolarHBondContact O-N 3.29Å; P49-H53 WeakPolarHBondContact O-CB 3.49Å; P49-H53 PolarHBondContact O-CD2 3.24Å; P49-H53 PolarHBondContact O-N 3.15Å
50	S	87.3	Confident	86.8	Confident	96 Å²	96	70.4 Å²	70.4	67%	0.671	41%	0.406	S	S	*	.	H	α-helix	trans	-61.4	-44.2	177	-48.1	0	0	0	0	112.4	V48 F54	V48-S50 VanDerWaalsContact C-N 3.27Å; V48-S50 PolarHBondContact O-N 3Å; S50-F54 WeakPolarHBondContact O-CB 3.47Å; S50-F54 PolarHBondContact O-N 3.34Å; S50-F54 VanDerWaalsContact O-N 3.11Å
51	I	88.7	Confident	86.6	Confident	67 Å²	67	77 Å²	77	34%	0.344	43%	0.425	S	S	.	.	H	α-helix	trans	-73.9	-39.6	178.2	-58.3	174.9	0	0	0	109.9	V44 V48 P49 F54 V55	V44-I51 HydrophobicContact CG1-CD1 3.73Å; V48-I51 HydrophobicContact CB-CB 4.17Å; V48-I51 HydrophobicContact CB-CD1 3.98Å; V48-I51 HydrophobicContact CB-CG1 4.08Å; V48-I51 HydrophobicContact CG1-CB 4.32Å; V48-I51 HydrophobicContact CG1-CD1 3.99Å; V48-I51 HydrophobicContact CG1-CG1 3.85Å; V48-I51 HydrophobicContact CG2-CD1 4.27Å; V48-I51 PolarHBondContact O-N 3.12Å; V48-I51 VanDerWaalsContact O-N 3.1Å; P49-I51 PolarHBondContact O-N 2.94Å; I51-F54 PolarHBondContact O-N 3.22Å; I51-V55 HydrophobicContact CG2-CG2 3.98Å; I51-V55 WeakPolarHBondContact O-CB 3.29Å; I51-V55 VanDerWaalsContact O-CG2 3.31Å; I51-V55 WeakPolarHBondContact O-CG2 3.3Å; I51-V55 PolarHBondContact O-N 2.87Å
52	C	89.2	Confident	86.3	Confident	1 Å²	1	76.8 Å²	76.8	1%	0.007	42%	0.421	C	S	.	.	H	α-helix	trans	-57.8	-52.1	176.7	171.1	0	0	0	0	111.8	S45 V48 P49 F54 V55 Y56 C62	S45-C52 WeakPolarHBondContact O-CA 3.24Å; S45-C52 WeakPolarHBondContact O-CB 3.27Å; S45-C52 PolarHBondContact O-N 3.35Å; V48-C52 WeakPolarHBondContact O-CB 3.44Å; V48-C52 PolarHBondContact O-N 2.88Å; P49-C52 PolarHBondContact O-N 3.29Å; C52-F54 VanDerWaalsContact C-N 3.29Å; C52-F54 PolarHBondContact O-N 3.03Å; C52-V55 PolarHBondContact O-N 3.36Å; C52-Y56 WeakPolarHBondContact O-CA 3.38Å; C52-Y56 WeakPolarHBondContact O-CB 3.4Å; C52-Y56 WeakPolarHBondContact O-CD2 3.29Å; C52-Y56 PolarHBondContact O-N 3.41Å; C52-C62 HydrophobicContact CB-CB 3.75Å; C52-C62 WeakPolarHBondContact CB-SG 3.45Å; C52-C62 WeakPolarHBondContact SG-CA 3.4Å; C52-C62 WeakPolarHBondContact SG-CB 3.46Å; C52-C62 CovalentContact SG-SG 2.04Å; C52-C62 PolarHBondContact SG-SG 3.36Å
53	H	88.9	Confident	86	Confident	72 Å²	72	81.7 Å²	81.7	33%	0.333	44%	0.442	S	S	.	.	H	α-helix	trans	-68.2	-30	178.2	-71.2	-52.3	0	0	0	112.7	P49 G57	P49-H53 WeakPolarHBondContact O-CB 3.49Å; P49-H53 PolarHBondContact O-CD2 3.24Å; P49-H53 PolarHBondContact O-N 3.15Å; H53-G57 WeakPolarHBondContact CA-O 3.41Å; H53-G57 PolarHBondContact ND1-O 3.21Å; H53-G57 VanDerWaalsContact ND1-O 3.09Å; H53-G57 CarbonylContact O-C 3.59Å; H53-G57 VanDerWaalsContact O-C 3.29Å; H53-G57 WeakPolarHBondContact O-CA 3.48Å; H53-G57 PolarHBondContact O-N 3.02Å
54	F	90.2	Very high	85.8	Confident	181 Å²	181	76.7 Å²	76.7	79%	0.794	42%	0.423	S	S	*	.	H	α-helix	trans	-67.5	-43.7	173.5	179	-101.4	0	0	0	112.6	S50 I51 C52	S50-F54 WeakPolarHBondContact O-CB 3.47Å; S50-F54 PolarHBondContact O-N 3.34Å; S50-F54 VanDerWaalsContact O-N 3.11Å; I51-F54 PolarHBondContact O-N 3.22Å; C52-F54 VanDerWaalsContact C-N 3.29Å; C52-F54 PolarHBondContact O-N 3.03Å
55	V	88.4	Confident	85.6	Confident	81 Å²	81	76.7 Å²	76.7	49%	0.491	43%	0.425	S	S	.	.	H	α-helix	trans	-84.8	-40.4	-175.3	175.6	0	0	0	0	112.5	I51 C52	I51-V55 HydrophobicContact CG2-CG2 3.98Å; I51-V55 WeakPolarHBondContact O-CB 3.29Å; I51-V55 VanDerWaalsContact O-CG2 3.31Å; I51-V55 WeakPolarHBondContact O-CG2 3.3Å; I51-V55 PolarHBondContact O-N 2.87Å; C52-V55 PolarHBondContact O-N 3.36Å
56	Y	88.6	Confident	85.3	Confident	90 Å²	90	83 Å²	83	35%	0.353	45%	0.454	S	S	.	.	H	α-helix	trans	-106	-9.7	-173.5	-58.4	-72.8	0	0	0	114	S45 K46 C52 T60	S45-Y56 PolarHBondContact OG-OH 3.45Å; K46-Y56 HydrophobicContact CD-CD2 4.49Å; K46-Y56 HydrophobicContact CD-CE2 3.92Å; K46-Y56 VanDerWaalsContact CE-CE2 3.5Å; K46-Y56 VanDerWaalsContact CE-CZ 3.46Å; K46-Y56 HydrophobicContact CG-CE2 4.23Å; C52-Y56 WeakPolarHBondContact O-CA 3.38Å; C52-Y56 WeakPolarHBondContact O-CB 3.4Å; C52-Y56 WeakPolarHBondContact O-CD2 3.29Å; C52-Y56 PolarHBondContact O-N 3.41Å; Y56-T60 VanDerWaalsContact O-CG2 3.25Å; Y56-T60 WeakPolarHBondContact O-CG2 3.44Å
57	G	86.8	Confident	85.4	Confident	31 Å²	31	88.4 Å²	88.4	32%	0.32	48%	0.479	S	S	.	.			trans	99.7	163.8	177.9	0	0	0	0	0	115.3	H53 G59 T60	H53-G57 WeakPolarHBondContact CA-O 3.41Å; H53-G57 PolarHBondContact ND1-O 3.21Å; H53-G57 VanDerWaalsContact ND1-O 3.09Å; H53-G57 CarbonylContact O-C 3.59Å; H53-G57 VanDerWaalsContact O-C 3.29Å; H53-G57 WeakPolarHBondContact O-CA 3.48Å; H53-G57 PolarHBondContact O-N 3.02Å; G57-G59 PolarHBondContact O-N 3.15Å; G57-T60 PolarHBondContact O-OG1 2.71Å
58	I	80.7	Confident	85.3	Confident	170 Å²	170	86.7 Å²	86.7	87%	0.872	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	114.7	179.2	-60	168.9	0	0	0	108.3
59	G	78.5	Confident	85.2	Confident	71 Å²	71	90.2 Å²	90.2	73%	0.732	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	119	-6.5	179.8	0	0	0	0	0	115.6	G57	G57-G59 PolarHBondContact O-N 3.15Å
60	T	80.6	Confident	85.3	Confident	53 Å²	53	91.5 Å²	91.5	33%	0.325	48%	0.475	S	S	.	.			trans	-78.1	143.9	175.7	55.8	0	0	0	0	112.5	Y56 G57 C62	Y56-T60 VanDerWaalsContact O-CG2 3.25Å; Y56-T60 WeakPolarHBondContact O-CG2 3.44Å; G57-T60 PolarHBondContact O-OG1 2.71Å; T60-C62 PolarHBondContact O-N 2.93Å; T60-C62 VanDerWaalsContact O-N 3.14Å
61	K	83	Confident	85.4	Confident	190 Å²	190	91.8 Å²	91.8	83%	0.826	47%	0.468	S	S	*	.			trans	-70.3	106.7	173.4	-66.7	-179.5	-177.6	176.3	0	109.8	K63	K61-K63 PolarHBondContact O-N 3.17Å
62	C	82.9	Confident	85.2	Confident	38 Å²	38	90.5 Å²	90.5	26%	0.257	46%	0.461	S	S	.	.			trans	-78.3	56.3	176.8	-58.8	0	0	0	0	112.2	K46 C52 T60	K46-C62 CarbonylContact O-C 3.59Å; C52-C62 HydrophobicContact CB-CB 3.75Å; C52-C62 WeakPolarHBondContact CB-SG 3.45Å; C52-C62 WeakPolarHBondContact SG-CA 3.4Å; C52-C62 WeakPolarHBondContact SG-CB 3.46Å; C52-C62 CovalentContact SG-SG 2.04Å; C52-C62 PolarHBondContact SG-SG 3.36Å; T60-C62 PolarHBondContact O-N 2.93Å; T60-C62 VanDerWaalsContact O-N 3.14Å
63	K	80.8	Confident	85	Confident	164 Å²	164	96.6 Å²	96.6	71%	0.713	49%	0.493	S	S	*	.	S	Bend	trans	-132.4	141.2	172.8	-172	176.5	-179.5	179.7	0	107.4	K61 S65	K61-K63 PolarHBondContact O-N 3.17Å; K63-S65 PolarHBondContact O-N 2.8Å
64	I	82.9	Confident	84.9	Confident	11 Å²	11	99.6 Å²	99.6	6%	0.056	51%	0.505	C	S	.	.			trans	-66.8	123.5	174.7	-60.4	171.9	0	0	0	108.2	Y43 K46 V47 E68 Y69	Y43-I64 HydrophobicContact CD2-CD1 3.42Å; Y43-I64 VanDerWaalsContact CD2-CD1 3.42Å; Y43-I64 HydrophobicContact CE2-CD1 3.6Å; Y43-I64 HydrophobicContact CG-CD1 4.46Å; K46-I64 HydrophobicContact CB-CG1 3.86Å; V47-I64 HydrophobicContact CG2-CD1 4.3Å; I64-E68 VanDerWaalsContact CA-OE2 3.29Å; I64-E68 WeakPolarHBondContact CA-OE2 3.47Å; I64-E68 HydrophobicContact CG2-CB 3.7Å; I64-Y69 HydrophobicContact CB-CD2 4.12Å; I64-Y69 HydrophobicContact CB-CE2 3.51Å; I64-Y69 HydrophobicContact CD1-CE1 4.47Å; I64-Y69 HydrophobicContact CG2-CD1 4.24Å; I64-Y69 HydrophobicContact CG2-CD2 3.47Å; I64-Y69 VanDerWaalsContact CG2-CD2 3.47Å; I64-Y69 HydrophobicContact CG2-CE1 4.15Å; I64-Y69 HydrophobicContact CG2-CE2 3.37Å; I64-Y69 HydrophobicContact CG2-CG 3.92Å
65	S	85	Confident	84.6	Confident	62 Å²	62	94.6 Å²	94.6	43%	0.434	49%	0.486	S	S	.	.			trans	-72.2	153.7	178.1	-65.8	0	0	0	0	110.8	K63 H67 E68 Y69	K63-S65 PolarHBondContact O-N 2.8Å; S65-H67 VanDerWaalsContact C-N 3.26Å; S65-H67 PolarHBondContact O-N 2.63Å; S65-E68 PolarHBondContact N-OE2 3.44Å; S65-E68 WeakPolarHBondContact O-CA 3.06Å; S65-E68 WeakPolarHBondContact O-CB 3.29Å; S65-E68 PolarHBondContact O-N 2.95Å; S65-Y69 WeakPolarHBondContact O-CD2 3.38Å; S65-Y69 PolarHBondContact O-N 3.42Å; S65-Y69 VanDerWaalsContact O-N 3.1Å
66	E	82.2	Confident	84.4	Confident	145 Å²	145	93.2 Å²	93.2	68%	0.678	48%	0.484	S	S	*	.	H	α-helix	trans	-56.5	-41.1	177.4	-169	-177.5	156.9	0	0	112.3	E68 Y69 Q70	E66-E68 VanDerWaalsContact C-N 3.28Å; E66-E68 PolarHBondContact O-N 3.2Å; E66-Y69 WeakPolarHBondContact O-CB 3.2Å; E66-Y69 PolarHBondContact O-N 3.34Å; E66-Q70 WeakPolarHBondContact O-CG 3.45Å; E66-Q70 PolarHBondContact O-N 3.1Å
67	H	87.7	Confident	84.3	Confident	137 Å²	137	95.1 Å²	95.1	63%	0.634	49%	0.494	S	S	*	.	H	α-helix	trans	-59.1	-35.9	173.2	-65.3	-66.2	0	0	0	113.3	S65 Q70 I71	S65-H67 VanDerWaalsContact C-N 3.26Å; S65-H67 PolarHBondContact O-N 2.63Å; H67-Q70 PolarHBondContact O-N 2.87Å; H67-I71 VanDerWaalsContact O-CG1 3.32Å; H67-I71 WeakPolarHBondContact O-CG1 3.1Å; H67-I71 PolarHBondContact O-N 2.8Å
68	E	85	Confident	84.2	Confident	32 Å²	32	95.9 Å²	95.9	15%	0.15	49%	0.492	C	S	.	.	H	α-helix	trans	-70.6	-39.9	178.3	-65.3	172.2	161.2	0	0	110.8	F42 K46 I64 S65 E66 Q70 I71 L72	F42-E68 HydrophobicContact CE1-CB 4.17Å; F42-E68 HydrophobicContact CE1-CG 4.4Å; F42-E68 HydrophobicContact CZ-CB 4.25Å; F42-E68 HydrophobicContact CZ-CG 3.96Å; K46-E68 WeakPolarHBondContact CE-OE1 3.4Å; K46-E68 IonicContact NZ-OE1 3.82Å; K46-E68 PolarHBondContact NZ-OE1 2.86Å; K46-E68 IonicContact NZ-OE2 3.72Å; I64-E68 VanDerWaalsContact CA-OE2 3.29Å; I64-E68 WeakPolarHBondContact CA-OE2 3.47Å; I64-E68 HydrophobicContact CG2-CB 3.7Å; S65-E68 PolarHBondContact N-OE2 3.44Å; S65-E68 WeakPolarHBondContact O-CA 3.06Å; S65-E68 WeakPolarHBondContact O-CB 3.29Å; S65-E68 PolarHBondContact O-N 2.95Å; E66-E68 VanDerWaalsContact C-N 3.28Å; E66-E68 PolarHBondContact O-N 3.2Å; E68-Q70 VanDerWaalsContact C-N 3.32Å; E68-Q70 PolarHBondContact O-N 3Å; E68-I71 PolarHBondContact O-N 3.45Å; E68-L72 WeakPolarHBondContact O-CG 3.26Å; E68-L72 PolarHBondContact O-N 3.24Å
69	Y	85.4	Confident	84.2	Confident	128 Å²	128	89.9 Å²	89.9	50%	0.502	46%	0.462	S	S	.	.	H	α-helix	trans	-60.2	-40.9	171.1	-80.2	-70.2	0	0	0	112.1	I64 S65 E66 L72 L73	I64-Y69 HydrophobicContact CB-CD2 4.12Å; I64-Y69 HydrophobicContact CB-CE2 3.51Å; I64-Y69 HydrophobicContact CD1-CE1 4.47Å; I64-Y69 HydrophobicContact CG2-CD1 4.24Å; I64-Y69 HydrophobicContact CG2-CD2 3.47Å; I64-Y69 VanDerWaalsContact CG2-CD2 3.47Å; I64-Y69 HydrophobicContact CG2-CE1 4.15Å; I64-Y69 HydrophobicContact CG2-CE2 3.37Å; I64-Y69 HydrophobicContact CG2-CG 3.92Å; S65-Y69 WeakPolarHBondContact O-CD2 3.38Å; S65-Y69 PolarHBondContact O-N 3.42Å; S65-Y69 VanDerWaalsContact O-N 3.1Å; E66-Y69 WeakPolarHBondContact O-CB 3.2Å; E66-Y69 PolarHBondContact O-N 3.34Å; Y69-L72 PolarHBondContact O-N 3.01Å; Y69-L73 WeakPolarHBondContact O-CB 3.16Å; Y69-L73 PolarHBondContact O-N 2.6Å
70	Q	88.7	Confident	84.4	Confident	102 Å²	102	93.1 Å²	93.1	48%	0.477	45%	0.453	S	S	.	.	H	α-helix	trans	-62.1	-42.8	176.2	-69.7	172.2	-0.4	0	0	111.8	E66 H67 E68 L73 F74	E66-Q70 WeakPolarHBondContact O-CG 3.45Å; E66-Q70 PolarHBondContact O-N 3.1Å; H67-Q70 PolarHBondContact O-N 2.87Å; E68-Q70 VanDerWaalsContact C-N 3.32Å; E68-Q70 PolarHBondContact O-N 3Å; Q70-L73 PolarHBondContact O-N 3.33Å; Q70-F74 WeakPolarHBondContact O-CB 3.19Å; Q70-F74 PolarHBondContact O-N 3.14Å
71	I	88.6	Confident	84.4	Confident	102 Å²	102	93 Å²	93	52%	0.523	45%	0.452	S	S	.	.	H	α-helix	trans	-65.2	-45.2	177	-66.2	163.7	0	0	0	111.1	H67 E68 L73 F74 L75	H67-I71 VanDerWaalsContact O-CG1 3.32Å; H67-I71 WeakPolarHBondContact O-CG1 3.1Å; H67-I71 PolarHBondContact O-N 2.8Å; E68-I71 PolarHBondContact O-N 3.45Å; I71-L73 VanDerWaalsContact C-N 3.33Å; I71-L73 PolarHBondContact O-N 2.93Å; I71-F74 PolarHBondContact O-N 3.45Å; I71-L75 HydrophobicContact CG2-CD1 4.25Å; I71-L75 WeakPolarHBondContact O-CG 3.47Å; I71-L75 PolarHBondContact O-N 3.04Å
72	L	84.1	Confident	84	Confident	39 Å²	39	90.8 Å²	90.8	20%	0.204	44%	0.442	C	S	.	.	H	α-helix	trans	-61.9	-41.6	177.3	-72.9	173.6	0	0	0	111.7	C39 F42 E68 Y69 L75 A76	C39-L72 HydrophobicContact CB-CD2 4.43Å; F42-L72 HydrophobicContact CD1-CD1 4.39Å; F42-L72 HydrophobicContact CD1-CD2 4.42Å; F42-L72 HydrophobicContact CE1-CD1 4.47Å; E68-L72 WeakPolarHBondContact O-CG 3.26Å; E68-L72 PolarHBondContact O-N 3.24Å; Y69-L72 PolarHBondContact O-N 3.01Å; L72-L75 PolarHBondContact O-N 2.96Å; L72-A76 WeakPolarHBondContact O-CB 3.4Å; L72-A76 PolarHBondContact O-N 2.59Å
73	L	85	Confident	83.6	Confident	129 Å²	129	90.6 Å²	90.6	68%	0.675	44%	0.439	S	S	*	.	H	α-helix	trans	-65.3	-40.7	176.2	-171.9	67.3	0	0	0	111.5	Y69 Q70 I71 A76 F77	Y69-L73 WeakPolarHBondContact O-CB 3.16Å; Y69-L73 PolarHBondContact O-N 2.6Å; Q70-L73 PolarHBondContact O-N 3.33Å; I71-L73 VanDerWaalsContact C-N 3.33Å; I71-L73 PolarHBondContact O-N 2.93Å; L73-A76 PolarHBondContact O-N 2.97Å; L73-F77 WeakPolarHBondContact O-CB 3.27Å; L73-F77 PolarHBondContact O-N 2.87Å
74	F	87.6	Confident	83.5	Confident	135 Å²	135	89.6 Å²	89.6	59%	0.592	43%	0.431	S	S	*	.	H	α-helix	trans	-61.5	-46.8	174.9	179.9	-100.7	0	0	0	111.7	Q70 I71 A76 F77 V78	Q70-F74 WeakPolarHBondContact O-CB 3.19Å; Q70-F74 PolarHBondContact O-N 3.14Å; I71-F74 PolarHBondContact O-N 3.45Å; F74-A76 PolarHBondContact O-N 3.14Å; F74-F77 PolarHBondContact O-N 2.83Å; F74-V78 HydrophobicContact CD1-CG2 4.35Å; F74-V78 HydrophobicContact CE1-CG2 3.96Å; F74-V78 HydrophobicContact CE2-CG2 4.31Å; F74-V78 HydrophobicContact CZ-CG2 3.94Å; F74-V78 WeakPolarHBondContact O-CG2 3.25Å; F74-V78 PolarHBondContact O-N 3.25Å
75	L	84.8	Confident	83.1	Confident	76 Å²	76	96.7 Å²	96.7	40%	0.398	46%	0.461	S	S	.	.	H	α-helix	trans	-62.4	-42.7	175.7	-71.5	175	0	0	0	111.8	I71 L72 F77 V78 I79	I71-L75 HydrophobicContact CG2-CD1 4.25Å; I71-L75 WeakPolarHBondContact O-CG 3.47Å; I71-L75 PolarHBondContact O-N 3.04Å; L72-L75 PolarHBondContact O-N 2.96Å; L75-F77 VanDerWaalsContact C-N 3.34Å; L75-F77 PolarHBondContact O-N 2.86Å; L75-V78 PolarHBondContact O-N 3.03Å; L75-I79 WeakPolarHBondContact O-CB 3.25Å; L75-I79 VanDerWaalsContact O-CG1 3.27Å; L75-I79 WeakPolarHBondContact O-CG1 3.47Å; L75-I79 PolarHBondContact O-N 2.83Å
76	A	83.5	Confident	82.5	Confident	53 Å²	53	95.2 Å²	95.2	44%	0.438	45%	0.453	S	S	.	.	H	α-helix	trans	-60.4	-43	175.8	0	0	0	0	0	111.7	L72 L73 F74 I79 Y80	L72-A76 WeakPolarHBondContact O-CB 3.4Å; L72-A76 PolarHBondContact O-N 2.59Å; L73-A76 PolarHBondContact O-N 2.97Å; F74-A76 PolarHBondContact O-N 3.14Å; A76-I79 PolarHBondContact O-N 3.42Å; A76-Y80 VanDerWaalsContact O-CB 3.24Å; A76-Y80 WeakPolarHBondContact O-CB 3.43Å; A76-Y80 PolarHBondContact O-N 3.5Å
77	F	86.4	Confident	82.1	Confident	129 Å²	129	92.8 Å²	92.8	57%	0.566	44%	0.443	S	S	*	.	H	α-helix	trans	-65.2	-42.1	176.1	-176.9	-98	0	0	0	112.5	L73 F74 L75 Y80 T81	L73-F77 WeakPolarHBondContact O-CB 3.27Å; L73-F77 PolarHBondContact O-N 2.87Å; F74-F77 PolarHBondContact O-N 2.83Å; L75-F77 VanDerWaalsContact C-N 3.34Å; L75-F77 PolarHBondContact O-N 2.86Å; F77-Y80 PolarHBondContact O-N 2.86Å; F77-T81 HydrophobicContact CD1-CG2 4.13Å; F77-T81 HydrophobicContact CE1-CG2 3.73Å; F77-T81 HydrophobicContact CE2-CG2 4.15Å; F77-T81 HydrophobicContact CZ-CG2 3.74Å; F77-T81 WeakPolarHBondContact O-CB 3.19Å; F77-T81 VanDerWaalsContact O-CG2 3.31Å; F77-T81 WeakPolarHBondContact O-CG2 3.46Å; F77-T81 PolarHBondContact O-N 3.12Å; F77-T81 PolarHBondContact O-OG1 2.76Å
78	V	83.7	Confident	81.4	Confident	48 Å²	48	90.3 Å²	90.3	29%	0.291	43%	0.434	S	S	.	.	H	α-helix	trans	-64.4	-43.2	176.1	172	0	0	0	0	111.4	F74 L75 T81 K82	F74-V78 HydrophobicContact CD1-CG2 4.35Å; F74-V78 HydrophobicContact CE1-CG2 3.96Å; F74-V78 HydrophobicContact CE2-CG2 4.31Å; F74-V78 HydrophobicContact CZ-CG2 3.94Å; F74-V78 WeakPolarHBondContact O-CG2 3.25Å; F74-V78 PolarHBondContact O-N 3.25Å; L75-V78 PolarHBondContact O-N 3.03Å; V78-T81 WeakPolarHBondContact CA-OG1 3.15Å; V78-T81 PolarHBondContact O-N 3.06Å; V78-T81 PolarHBondContact O-OG1 3.46Å; V78-K82 WeakPolarHBondContact O-CB 3.41Å; V78-K82 WeakPolarHBondContact O-CG 3.42Å; V78-K82 PolarHBondContact O-N 2.53Å
79	I	82	Confident	80.9	Confident	44 Å²	44	93 Å²	93	23%	0.226	45%	0.452	C	S	.	.	H	α-helix	trans	-63.5	-45.3	175.2	-69.1	167.4	0	0	0	110.1	N35 L75 A76 T81 K82 N83	N35-I79 HydrophobicContact CB-CD1 4.2Å; L75-I79 WeakPolarHBondContact O-CB 3.25Å; L75-I79 VanDerWaalsContact O-CG1 3.27Å; L75-I79 WeakPolarHBondContact O-CG1 3.47Å; L75-I79 PolarHBondContact O-N 2.83Å; A76-I79 PolarHBondContact O-N 3.42Å; I79-T81 PolarHBondContact O-N 2.87Å; I79-K82 PolarHBondContact O-N 3.38Å; I79-N83 WeakPolarHBondContact CG2-ND2 3.27Å; I79-N83 VanDerWaalsContact O-CB 3.29Å; I79-N83 WeakPolarHBondContact O-CB 3.14Å; I79-N83 PolarHBondContact O-N 2.86Å; I79-N83 PolarHBondContact O-ND2 3.43Å
80	Y	81.4	Confident	80.3	Confident	138 Å²	138	88.8 Å²	88.8	54%	0.541	44%	0.44	S	S	.	.	H	α-helix	trans	-59.5	-47.2	177.1	174.3	-103.3	0	0	0	111.8	A76 F77 N83 R84	A76-Y80 VanDerWaalsContact O-CB 3.24Å; A76-Y80 WeakPolarHBondContact O-CB 3.43Å; A76-Y80 PolarHBondContact O-N 3.5Å; F77-Y80 PolarHBondContact O-N 2.86Å; Y80-N83 PolarHBondContact O-N 3.16Å; Y80-R84 VanDerWaalsContact O-CB 3.22Å; Y80-R84 WeakPolarHBondContact O-CB 3.3Å; Y80-R84 PolarHBondContact O-N 2.92Å
81	T	80.6	Confident	79.4	Confident	50 Å²	50	87.8 Å²	87.8	31%	0.307	44%	0.443	S	S	.	.	H	α-helix	trans	-68	-38.7	-179.9	52.3	0	0	0	0	112.8	F77 V78 I79 K85	F77-T81 HydrophobicContact CD1-CG2 4.13Å; F77-T81 HydrophobicContact CE1-CG2 3.73Å; F77-T81 HydrophobicContact CE2-CG2 4.15Å; F77-T81 HydrophobicContact CZ-CG2 3.74Å; F77-T81 WeakPolarHBondContact O-CB 3.19Å; F77-T81 VanDerWaalsContact O-CG2 3.31Å; F77-T81 WeakPolarHBondContact O-CG2 3.46Å; F77-T81 PolarHBondContact O-N 3.12Å; F77-T81 PolarHBondContact O-OG1 2.76Å; V78-T81 WeakPolarHBondContact CA-OG1 3.15Å; V78-T81 PolarHBondContact O-N 3.06Å; V78-T81 PolarHBondContact O-OG1 3.46Å; I79-T81 PolarHBondContact O-N 2.87Å; T81-K85 PolarHBondContact O-N 3.31Å
82	K	75.6	Confident	78.5	Confident	145 Å²	145	87.5 Å²	87.5	63%	0.63	45%	0.449	S	S	*	.	H	α-helix	trans	-62.6	-44.9	172.4	-78.8	-102.1	169.9	74.1	0	111.3	V78 I79 A86	V78-K82 WeakPolarHBondContact O-CB 3.41Å; V78-K82 WeakPolarHBondContact O-CG 3.42Å; V78-K82 PolarHBondContact O-N 2.53Å; I79-K82 PolarHBondContact O-N 3.38Å; K82-A86 PolarHBondContact O-N 3.39Å
83	N	74.7	Confident	78.1	Confident	34 Å²	34	89.9 Å²	89.9	18%	0.182	47%	0.465	C	S	.	.	H	α-helix	trans	-74	-31.5	179.3	-75.5	-25	0	0	0	113.3	H32 I79 Y80 K85 A86 I87	H32-N83 PolarHBondContact CE1-OD1 3Å; H32-N83 PolarHBondContact NE2-ND2 3.4Å; H32-N83 PolarHBondContact NE2-OD1 2.91Å; H32-N83 VanDerWaalsContact NE2-OD1 3.14Å; I79-N83 WeakPolarHBondContact CG2-ND2 3.27Å; I79-N83 VanDerWaalsContact O-CB 3.29Å; I79-N83 WeakPolarHBondContact O-CB 3.14Å; I79-N83 PolarHBondContact O-N 2.86Å; I79-N83 PolarHBondContact O-ND2 3.43Å; Y80-N83 PolarHBondContact O-N 3.16Å; N83-K85 VanDerWaalsContact C-N 3.28Å; N83-K85 PolarHBondContact O-N 2.88Å; N83-A86 PolarHBondContact O-N 3.35Å; N83-A86 VanDerWaalsContact O-N 3.1Å; N83-I87 VanDerWaalsContact O-CG1 3.3Å; N83-I87 WeakPolarHBondContact O-CG1 3.03Å; N83-I87 PolarHBondContact O-N 3.38Å
84	R	78.9	Confident	77.3	Confident	143 Å²	143	88.7 Å²	88.7	54%	0.54	46%	0.455	S	S	.	.	H	α-helix	trans	-57.9	-42.3	174.7	-175.4	178.2	-179.2	-170.7	1.8	111	Y80 I87 I88	Y80-R84 VanDerWaalsContact O-CB 3.22Å; Y80-R84 WeakPolarHBondContact O-CB 3.3Å; Y80-R84 PolarHBondContact O-N 2.92Å; R84-I87 PolarHBondContact O-N 3.01Å; R84-I88 HydrophobicContact CG-CD1 3.89Å; R84-I88 WeakPolarHBondContact O-CB 3.42Å; R84-I88 WeakPolarHBondContact O-CD1 3.35Å; R84-I88 WeakPolarHBondContact O-CG1 3.44Å; R84-I88 PolarHBondContact O-N 2.93Å
85	K	73.6	Confident	76.4	Confident	159 Å²	159	86.8 Å²	86.8	69%	0.691	46%	0.456	S	S	*	.	H	α-helix	trans	-62.6	-44.7	174.5	-68.9	-175	179	-176	0	111.5	T81 N83 I88 V89	T81-K85 PolarHBondContact O-N 3.31Å; N83-K85 VanDerWaalsContact C-N 3.28Å; N83-K85 PolarHBondContact O-N 2.88Å; K85-I88 PolarHBondContact O-N 3Å; K85-V89 WeakPolarHBondContact O-CB 3.45Å; K85-V89 WeakPolarHBondContact O-CG2 3.41Å; K85-V89 PolarHBondContact O-N 3.5Å
86	A	71.9	Confident	75.6	Confident	32 Å²	32	91.6 Å²	91.6	26%	0.264	48%	0.476	S	S	.	.	H	α-helix	trans	-62.4	-44.9	178	0	0	0	0	0	112.2	K82 N83 V89 V90	K82-A86 PolarHBondContact O-N 3.39Å; N83-A86 PolarHBondContact O-N 3.35Å; N83-A86 VanDerWaalsContact O-N 3.1Å; A86-V89 PolarHBondContact O-N 3.02Å; A86-V90 WeakPolarHBondContact O-CB 3.31Å; A86-V90 WeakPolarHBondContact O-CG2 3.36Å; A86-V90 PolarHBondContact O-N 2.88Å
87	I	73.9	Confident	75.1	Confident	93 Å²	93	91.7 Å²	91.7	48%	0.477	47%	0.472	S	S	.	.	H	α-helix	trans	-61.4	-46.4	176.8	-66.7	164.1	0	0	0	110.6	N83 R84 V89 V90 C91	N83-I87 VanDerWaalsContact O-CG1 3.3Å; N83-I87 WeakPolarHBondContact O-CG1 3.03Å; N83-I87 PolarHBondContact O-N 3.38Å; R84-I87 PolarHBondContact O-N 3.01Å; I87-V89 PolarHBondContact O-N 2.66Å; I87-V90 PolarHBondContact O-N 2.83Å; I87-C91 WeakPolarHBondContact O-CB 3.4Å; I87-C91 PolarHBondContact O-N 2.83Å; I87-C91 PolarHBondContact O-SG 2.88Å
88	I	74.8	Confident	74.7	Confident	86 Å²	86	87.1 Å²	87.1	44%	0.441	46%	0.455	S	S	.	.	H	α-helix	trans	-60.2	-48.2	176.3	-70.3	166.9	0	0	0	110.4	R84 K85 V90 C91 C92	R84-I88 HydrophobicContact CG-CD1 3.89Å; R84-I88 WeakPolarHBondContact O-CB 3.42Å; R84-I88 WeakPolarHBondContact O-CD1 3.35Å; R84-I88 WeakPolarHBondContact O-CG1 3.44Å; R84-I88 PolarHBondContact O-N 2.93Å; K85-I88 PolarHBondContact O-N 3Å; I88-V90 VanDerWaalsContact C-N 3.3Å; I88-V90 PolarHBondContact O-N 2.83Å; I88-C91 PolarHBondContact O-N 3.41Å; I88-C92 VanDerWaalsContact O-CB 3.32Å; I88-C92 WeakPolarHBondContact O-CB 3.49Å; I88-C92 PolarHBondContact O-N 2.98Å; I88-C92 PolarHBondContact O-SG 3.06Å
89	V	72.9	Confident	74.7	Confident	87 Å²	87	87.3 Å²	87.3	53%	0.527	45%	0.452	S	S	.	.	H	α-helix	trans	-58.4	-43.8	178.4	169.6	0	0	0	0	110.7	K85 A86 I87 C92 V93	K85-V89 WeakPolarHBondContact O-CB 3.45Å; K85-V89 WeakPolarHBondContact O-CG2 3.41Å; K85-V89 PolarHBondContact O-N 3.5Å; A86-V89 PolarHBondContact O-N 3.02Å; I87-V89 PolarHBondContact O-N 2.66Å; V89-C92 PolarHBondContact O-N 3.47Å; V89-V93 HydrophobicContact CG1-CG2 4.04Å; V89-V93 VanDerWaalsContact O-CB 3.29Å; V89-V93 WeakPolarHBondContact O-CB 3.19Å; V89-V93 WeakPolarHBondContact O-CG2 3.24Å; V89-V93 PolarHBondContact O-N 2.79Å
90	V	72.9	Confident	74.7	Confident	40 Å²	40	91.3 Å²	91.3	24%	0.242	47%	0.474	C	S	.	.	H	α-helix	trans	-65	-46.2	179.3	172.2	0	0	0	0	111	I27 A86 I87 I88 C92 V93 F94	I27-V90 HydrophobicContact CD1-CB 4.34Å; I27-V90 HydrophobicContact CD1-CG1 4.39Å; I27-V90 HydrophobicContact CD1-CG2 3.58Å; I27-V90 HydrophobicContact CG1-CG2 4.19Å; A86-V90 WeakPolarHBondContact O-CB 3.31Å; A86-V90 WeakPolarHBondContact O-CG2 3.36Å; A86-V90 PolarHBondContact O-N 2.88Å; I87-V90 PolarHBondContact O-N 2.83Å; I88-V90 VanDerWaalsContact C-N 3.3Å; I88-V90 PolarHBondContact O-N 2.83Å; V90-C92 VanDerWaalsContact C-N 3.3Å; V90-C92 PolarHBondContact O-N 2.89Å; V90-V93 PolarHBondContact O-N 2.93Å; V90-F94 CarbonylContact O-C 3.29Å; V90-F94 WeakPolarHBondContact O-CA 3.41Å; V90-F94 PolarHBondContact O-N 3.49Å
91	C	69.6	Low	75	Confident	81 Å²	81	86.1 Å²	86.1	55%	0.547	46%	0.462	S	S	.	.	H	α-helix	trans	-64	-33.6	176.5	-67.7	0	0	0	0	113	I87 I88	I87-C91 WeakPolarHBondContact O-CB 3.4Å; I87-C91 PolarHBondContact O-N 2.83Å; I87-C91 PolarHBondContact O-SG 2.88Å; I88-C91 PolarHBondContact O-N 3.41Å
92	C	71.1	Confident	75.5	Confident	97 Å²	97	88.4 Å²	88.4	66%	0.655	48%	0.478	S	S	*	.	H	α-helix	trans	-77.4	-40	178.7	-70.3	0	0	0	0	112.7	I88 V89 V90	I88-C92 VanDerWaalsContact O-CB 3.32Å; I88-C92 WeakPolarHBondContact O-CB 3.49Å; I88-C92 PolarHBondContact O-N 2.98Å; I88-C92 PolarHBondContact O-SG 3.06Å; V89-C92 PolarHBondContact O-N 3.47Å; V90-C92 VanDerWaalsContact C-N 3.3Å; V90-C92 PolarHBondContact O-N 2.89Å
93	V	74.2	Confident	76.4	Confident	89 Å²	89	83.7 Å²	83.7	54%	0.539	46%	0.458	S	S	.	.	H	α-helix	trans	-82.2	-33.8	-177	176.8	0	0	0	0	111.4	V89 V90	V89-V93 HydrophobicContact CG1-CG2 4.04Å; V89-V93 VanDerWaalsContact O-CB 3.29Å; V89-V93 WeakPolarHBondContact O-CB 3.19Å; V89-V93 WeakPolarHBondContact O-CG2 3.24Å; V89-V93 PolarHBondContact O-N 2.79Å; V90-V93 PolarHBondContact O-N 2.93Å
94	F	68.9	Low	77.4	Confident	104 Å²	104	84.1 Å²	84.1	46%	0.456	47%	0.467	S	S	.	.	S	Bend	trans	-125.8	76.4	178.8	-57.9	-72.6	0	0	0	109.7	E23 V90 E96	E23-F94 HydrophobicContact CG-CE2 4.36Å; V90-F94 CarbonylContact O-C 3.29Å; V90-F94 WeakPolarHBondContact O-CA 3.41Å; V90-F94 PolarHBondContact O-N 3.49Å; F94-E96 PolarHBondContact O-N 2.92Å
95	P	68.1	Low	78.2	Confident	95 Å²	95	78.2 Å²	78.2	62%	0.617	45%	0.447	S	S	*	.	P	Polyproline II helix	trans	-58.6	131.1	170.3	25.9	-32.8	0	0	0	108.5
96	E	68.8	Low	79.3	Confident	176 Å²	176	74.6 Å²	74.6	82%	0.822	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-55.6	136.9	172.1	-68.1	-176.5	163.9	0	0	109	F94	F94-E96 PolarHBondContact O-N 2.92Å
97	P	73	Confident	80.3	Confident	55 Å²	55	76 Å²	76	36%	0.357	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-61.4	145.3	174.4	29.3	-35.2	0	0	0	109	L16 F99 N100	L16-P97 HydrophobicContact CD2-CG 4.21Å; P97-F99 PolarHBondContact O-N 3.05Å; P97-N100 VanDerWaalsContact CG-ND2 3.35Å; P97-N100 WeakPolarHBondContact CG-ND2 3.26Å; P97-N100 WeakPolarHBondContact CG-OD1 3.43Å
98	V	78.4	Confident	81.3	Confident	33 Å²	33	72.2 Å²	72.2	20%	0.2	41%	0.413	C	S	.	.	S	Bend	trans	-55	-31.4	-176.3	-177.5	0	0	0	0	111.9	Y130 N132 K138 A141	V98-Y130 HydrophobicContact CG2-CE2 4.27Å; V98-N132 HydrophobicContact CG2-CB 4.25Å; V98-N132 VanDerWaalsContact CG2-OD1 3.3Å; V98-N132 WeakPolarHBondContact CG2-OD1 3.32Å; V98-K138 HydrophobicContact CG1-CB 4.37Å; V98-K138 HydrophobicContact CG1-CG 3.98Å; V98-A141 HydrophobicContact CG1-CB 3.58Å
99	F	84.2	Confident	82	Confident	53 Å²	53	76 Å²	76	23%	0.232	42%	0.422	C	S	.	.			trans	-153.5	143.2	177.5	179.2	-112.8	0	0	0	111.4	P97 A141 P142 A145	P97-F99 PolarHBondContact O-N 3.05Å; F99-A141 HydrophobicContact CB-CB 3.78Å; F99-A141 HydrophobicContact CG-CB 4.47Å; F99-P142 HydrophobicContact CD2-CB 3.95Å; F99-P142 HydrophobicContact CE2-CB 3.59Å; F99-P142 HydrophobicContact CZ-CB 4.22Å; F99-A145 HydrophobicContact CD1-CB 3.84Å; F99-A145 HydrophobicContact CE1-CB 3.31Å; F99-A145 HydrophobicContact CZ-CB 4Å
100	N	82.1	Confident	82.7	Confident	127 Å²	127	73.5 Å²	73.5	68%	0.679	41%	0.414	S	S	*	.			trans	-126.5	65.1	179	-75	-53.1	0	0	0	110.2	P97	P97-N100 VanDerWaalsContact CG-ND2 3.35Å; P97-N100 WeakPolarHBondContact CG-ND2 3.26Å; P97-N100 WeakPolarHBondContact CG-OD1 3.43Å
101	G	87.7	Confident	83.4	Confident	29 Å²	29	76.6 Å²	76.6	30%	0.299	44%	0.437	S	S	.	.	S	Bend	trans	-135.7	175.4	175.8	0	0	0	0	0	111.9	E103	G101-E103 PolarHBondContact O-N 3.38Å
102	P	91.4	Very high	84.4	Confident	98 Å²	98	76.8 Å²	76.8	64%	0.636	43%	0.433	S	S	*	.			trans	-61	136.6	168.5	29.1	-33.4	0	0	0	109.1	L149	P102-L149 HydrophobicContact CB-CD1 4Å; P102-L149 HydrophobicContact CG-CD1 3.99Å; P102-L149 WeakPolarHBondContact O-CD1 3.45Å
103	E	94.5	Very high	85.4	Confident	46 Å²	46	72.1 Å²	72.1	22%	0.215	40%	0.402	C	S	.	.			trans	-152.9	147.3	174.5	70.6	-175.4	156.9	0	0	109.5	G101 V105 Y107 A145 K160	G101-E103 PolarHBondContact O-N 3.38Å; E103-V105 HydrophobicContact CB-CG2 4.09Å; E103-V105 HydrophobicContact CG-CB 4.18Å; E103-V105 HydrophobicContact CG-CG2 4.27Å; E103-Y107 VanDerWaalsContact CD-OH 3.24Å; E103-Y107 WeakPolarHBondContact OE1-CE2 3.48Å; E103-Y107 VanDerWaalsContact OE1-CZ 3.3Å; E103-Y107 PolarHBondContact OE1-OH 2.96Å; E103-Y107 PolarHBondContact OE2-OH 3.38Å; E103-A145 HydrophobicContact CB-CB 3.64Å; E103-K160 IonicContact OE2-NZ 2.9Å; E103-K160 PolarHBondContact OE2-NZ 2.97Å
104	A	95.3	Very high	86.3	Confident	44 Å²	44	69.4 Å²	69.4	36%	0.364	38%	0.383	S	S	.	.			trans	-104.9	49.1	173.3	0	0	0	0	0	110.2	S148 L149 A152	A104-S148 PolarHBondContact N-OG 3.36Å; A104-L149 HydrophobicContact CB-CD2 4.19Å; A104-A152 HydrophobicContact CB-CB 3.78Å
105	V	96.1	Very high	87.4	Confident	19 Å²	19	69.2 Å²	69.2	12%	0.115	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	134.4	-174.4	-177.7	0	0	0	0	111.5	E103 Y107 F144 S148 F158 K160	E103-V105 HydrophobicContact CB-CG2 4.09Å; E103-V105 HydrophobicContact CG-CB 4.18Å; E103-V105 HydrophobicContact CG-CG2 4.27Å; V105-Y107 HydrophobicContact CG1-CE2 4.46Å; V105-F144 HydrophobicContact CG1-CD1 4.45Å; V105-F144 HydrophobicContact CG1-CE1 3.92Å; V105-F144 HydrophobicContact CG2-CD1 3.87Å; V105-F144 HydrophobicContact CG2-CE1 3.87Å; V105-S148 WeakPolarHBondContact CG2-OG 3.33Å; V105-F158 HydrophobicContact CG2-CB 4.13Å; V105-K160 HydrophobicContact CG1-CB 3.9Å; V105-K160 HydrophobicContact CG1-CD 3.86Å; V105-K160 HydrophobicContact CG1-CG 3.74Å
106	L	95	Very high	88.6	Confident	82 Å²	82	68 Å²	68	43%	0.429	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	122.7	172.8	-172.7	139.5	0	0	0	110.9	F108 W125 F158 G159 K160	L106-F108 HydrophobicContact CD2-CD1 4.16Å; L106-F108 HydrophobicContact CD2-CD2 4.43Å; L106-F108 HydrophobicContact CD2-CE1 4.08Å; L106-F108 HydrophobicContact CD2-CE2 4.35Å; L106-F108 HydrophobicContact CD2-CG 4.34Å; L106-F108 HydrophobicContact CD2-CZ 4.17Å; L106-W125 HydrophobicContact CB-CH2 4.19Å; L106-W125 HydrophobicContact CB-CZ3 4.14Å; L106-W125 HydrophobicContact CD1-CH2 4.17Å; L106-W125 HydrophobicContact CD2-CH2 4.15Å; L106-W125 HydrophobicContact CD2-CZ3 4.46Å; L106-W125 HydrophobicContact CG-CH2 4.39Å; L106-F158 PolarHBondContact N-O 2.92Å; L106-G159 CarbonylContact O-C 3.57Å; L106-G159 VanDerWaalsContact O-CA 3.24Å; L106-G159 WeakPolarHBondContact O-CA 3.36Å; L106-K160 PolarHBondContact O-N 2.86Å
107	Y	94.5	Very high	89.8	Confident	63 Å²	63	59.7 Å²	59.7	25%	0.247	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	118.9	174.8	-69.7	-97.1	0	0	0	110.2	E103 V105 R109 K160	E103-Y107 VanDerWaalsContact CD-OH 3.24Å; E103-Y107 WeakPolarHBondContact OE1-CE2 3.48Å; E103-Y107 VanDerWaalsContact OE1-CZ 3.3Å; E103-Y107 PolarHBondContact OE1-OH 2.96Å; E103-Y107 PolarHBondContact OE2-OH 3.38Å; V105-Y107 HydrophobicContact CG1-CE2 4.46Å; Y107-R109 PolarHBondContact O-N 3.41Å; Y107-K160 HydrophobicContact CD1-CB 3.83Å; Y107-K160 HydrophobicContact CD1-CD 4.39Å; Y107-K160 HydrophobicContact CE1-CB 3.86Å; Y107-K160 HydrophobicContact CE1-CD 3.56Å; Y107-K160 HydrophobicContact CE1-CG 4.36Å; Y107-K160 HydrophobicContact CG-CB 4.44Å; Y107-K160 PolarHBondContact OH-NZ 3.4Å
108	F	94	Very high	90.7	Very high	13 Å²	13	59.8 Å²	59.8	6%	0.057	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-67.9	127.9	177.2	-71.3	-82.5	0	0	0	110.6	L106 P113 I117 W125 I127 K160 L161 Y166	L106-F108 HydrophobicContact CD2-CD1 4.16Å; L106-F108 HydrophobicContact CD2-CD2 4.43Å; L106-F108 HydrophobicContact CD2-CE1 4.08Å; L106-F108 HydrophobicContact CD2-CE2 4.35Å; L106-F108 HydrophobicContact CD2-CG 4.34Å; L106-F108 HydrophobicContact CD2-CZ 4.17Å; F108-P113 HydrophobicContact CB-CB 4Å; F108-P113 HydrophobicContact CD1-CB 3.73Å; F108-P113 HydrophobicContact CE1-CB 4.42Å; F108-P113 HydrophobicContact CG-CB 3.9Å; F108-I117 HydrophobicContact CE1-CD1 4.25Å; F108-I117 HydrophobicContact CE1-CG1 3.98Å; F108-I117 HydrophobicContact CE2-CD1 4.42Å; F108-I117 HydrophobicContact CZ-CD1 3.9Å; F108-I117 HydrophobicContact CZ-CG1 3.76Å; F108-W125 HydrophobicContact CZ-CE3 4.34Å; F108-W125 HydrophobicContact CZ-CH2 4.36Å; F108-W125 HydrophobicContact CZ-CZ3 4.13Å; F108-I127 HydrophobicContact CE2-CD1 3.85Å; F108-I127 HydrophobicContact CE2-CG1 4.34Å; F108-I127 HydrophobicContact CE2-CG2 4.25Å; F108-I127 HydrophobicContact CZ-CD1 3.96Å; F108-K160 PolarHBondContact N-O 3.39Å; F108-L161 HydrophobicContact CD2-CB 4.29Å; F108-Y166 HydrophobicContact CB-CE2 4.42Å
109	R	89.5	Confident	91.4	Very high	164 Å²	164	64.5 Å²	64.5	62%	0.619	35%	0.353	S	S	*	.			trans	-128.6	-12.3	-179.4	-65.6	-171.4	-176	91.3	6.4	115.4	Y107 R165 Y166	Y107-R109 PolarHBondContact O-N 3.41Å; R109-R165 PolarHBondContact O-NH1 2.97Å; R109-Y166 WeakPolarHBondContact CA-OH 3.47Å
110	G	88.3	Confident	91.7	Very high	35 Å²	35	65.2 Å²	65.2	36%	0.361	36%	0.357	S	S	.	.	S	Bend	trans	-73.4	-176.7	-179.3	0	0	0	0	0	113.1	Y166	G110-Y166 PolarHBondContact N-OH 3.22Å; G110-Y166 WeakPolarHBondContact O-CE1 3.41Å; G110-Y166 VanDerWaalsContact O-CZ 3.26Å; G110-Y166 PolarHBondContact O-OH 2.95Å
111	S	86.1	Confident	92	Very high	105 Å²	105	67.2 Å²	67.2	73%	0.734	36%	0.36	S	S	*	.	S	Bend	trans	-78	-38.2	-178.9	-53	0	0	0	0	112.9	P113	S111-P113 WeakPolarHBondContact O-CD 3.32Å
112	N	91.3	Very high	92.2	Very high	85 Å²	85	67.9 Å²	67.9	46%	0.455	37%	0.366	S	S	.	.			trans	-127.2	75	-170.1	-64.3	-21.3	0	0	0	112.2	M114 Q115 E116	N112-M114 VanDerWaalsContact C-N 3.31Å; N112-M114 PolarHBondContact O-N 2.69Å; N112-Q115 HydrophobicContact CB-CB 3.88Å; N112-Q115 PolarHBondContact ND2-OE1 3.29Å; N112-Q115 VanDerWaalsContact ND2-OE1 3.17Å; N112-Q115 PolarHBondContact O-N 3.43Å; N112-Q115 VanDerWaalsContact O-N 3.15Å; N112-E116 PolarHBondContact O-N 3.31Å
113	P	92.1	Very high	92.4	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-61.5	-38.3	-175.4	25.1	-34.4	0	0	0	112.7	F108 S111 Q115 E116 I117 L161 Y166	F108-P113 HydrophobicContact CB-CB 4Å; F108-P113 HydrophobicContact CD1-CB 3.73Å; F108-P113 HydrophobicContact CE1-CB 4.42Å; F108-P113 HydrophobicContact CG-CB 3.9Å; S111-P113 WeakPolarHBondContact O-CD 3.32Å; P113-Q115 VanDerWaalsContact C-N 3.28Å; P113-Q115 PolarHBondContact O-N 3.24Å; P113-E116 WeakPolarHBondContact O-CB 3.46Å; P113-E116 PolarHBondContact O-N 2.96Å; P113-I117 VanDerWaalsContact O-CD1 3.27Å; P113-I117 WeakPolarHBondContact O-CD1 3.42Å; P113-I117 VanDerWaalsContact O-CG1 3.27Å; P113-I117 WeakPolarHBondContact O-CG1 3.4Å; P113-I117 PolarHBondContact O-N 2.9Å; P113-L161 HydrophobicContact CB-CD1 3.73Å; P113-L161 HydrophobicContact CG-CD1 3.54Å; P113-L161 HydrophobicContact CG-CG 4.38Å; P113-Y166 HydrophobicContact CG-CD1 3.75Å; P113-Y166 HydrophobicContact CG-CD2 4.35Å; P113-Y166 HydrophobicContact CG-CE1 3.7Å; P113-Y166 HydrophobicContact CG-CE2 4.29Å; P113-Y166 HydrophobicContact CG-CG 4.1Å
114	M	92.8	Very high	92.5	Very high	31 Å²	31	62.5 Å²	62.5	15%	0.153	34%	0.335	C	S	.	.	H	α-helix	trans	-63.3	-33.8	178.7	-65.6	-56.1	-52.7	0	0	112.9	N112 I117 S118 F129 E169 F182	N112-M114 VanDerWaalsContact C-N 3.31Å; N112-M114 PolarHBondContact O-N 2.69Å; M114-I117 HydrophobicContact SD-CD1 4.22Å; M114-S118 WeakPolarHBondContact O-CB 3.5Å; M114-S118 PolarHBondContact O-N 3.26Å; M114-S118 PolarHBondContact O-OG 3.45Å; M114-F129 HydrophobicContact SD-CZ 4.11Å; M114-E169 HydrophobicContact CG-CG 3.73Å; M114-E169 HydrophobicContact SD-CG 4.43Å; M114-F182 HydrophobicContact CE-CE1 3.63Å; M114-F182 HydrophobicContact CE-CZ 3.71Å; M114-F182 HydrophobicContact SD-CZ 4.35Å
115	Q	93	Very high	92.6	Very high	101 Å²	101	60.6 Å²	60.6	47%	0.472	32%	0.318	S	S	.	.	H	α-helix	trans	-71.5	-42.2	176.5	-173	177.1	13.5	0	0	111	N112 P113 I117 S118 Q119	N112-Q115 HydrophobicContact CB-CB 3.88Å; N112-Q115 PolarHBondContact ND2-OE1 3.29Å; N112-Q115 VanDerWaalsContact ND2-OE1 3.17Å; N112-Q115 PolarHBondContact O-N 3.43Å; N112-Q115 VanDerWaalsContact O-N 3.15Å; P113-Q115 VanDerWaalsContact C-N 3.28Å; P113-Q115 PolarHBondContact O-N 3.24Å; Q115-I117 VanDerWaalsContact C-N 3.33Å; Q115-I117 PolarHBondContact O-N 3.05Å; Q115-S118 PolarHBondContact O-N 3.1Å; Q115-Q119 VanDerWaalsContact O-CG 3.29Å; Q115-Q119 WeakPolarHBondContact O-CG 3.37Å; Q115-Q119 PolarHBondContact O-N 3.33Å
116	E	92.1	Very high	92.7	Very high	70 Å²	70	59.7 Å²	59.7	33%	0.327	31%	0.313	S	S	.	.	H	α-helix	trans	-58.7	-45.1	175.4	-66.5	174.6	-149.4	0	0	111.2	N112 P113 Q119 Q120	N112-E116 PolarHBondContact O-N 3.31Å; P113-E116 WeakPolarHBondContact O-CB 3.46Å; P113-E116 PolarHBondContact O-N 2.96Å; E116-Q119 PolarHBondContact O-N 2.93Å; E116-Q120 WeakPolarHBondContact O-CG 3.33Å; E116-Q120 PolarHBondContact O-N 2.94Å
117	I	94	Very high	92.9	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.005	29%	0.292	C	S	.	.	H	α-helix	trans	-63.7	-43.1	176.9	-62.7	152.9	0	0	0	110.8	F108 P113 M114 Q115 Q119 Q120 I127 F182 G185	F108-I117 HydrophobicContact CE1-CD1 4.25Å; F108-I117 HydrophobicContact CE1-CG1 3.98Å; F108-I117 HydrophobicContact CE2-CD1 4.42Å; F108-I117 HydrophobicContact CZ-CD1 3.9Å; F108-I117 HydrophobicContact CZ-CG1 3.76Å; P113-I117 VanDerWaalsContact O-CD1 3.27Å; P113-I117 WeakPolarHBondContact O-CD1 3.42Å; P113-I117 VanDerWaalsContact O-CG1 3.27Å; P113-I117 WeakPolarHBondContact O-CG1 3.4Å; P113-I117 PolarHBondContact O-N 2.9Å; M114-I117 HydrophobicContact SD-CD1 4.22Å; Q115-I117 VanDerWaalsContact C-N 3.33Å; Q115-I117 PolarHBondContact O-N 3.05Å; I117-Q119 VanDerWaalsContact C-N 3.27Å; I117-Q119 PolarHBondContact O-N 3.37Å; I117-Q120 PolarHBondContact O-N 3.18Å; I117-I127 HydrophobicContact CD1-CD1 3.16Å; I117-I127 HydrophobicContact CG1-CD1 3.68Å; I117-I127 HydrophobicContact CG2-CD1 4.41Å; I117-F182 HydrophobicContact CG2-CB 3.85Å; I117-F182 HydrophobicContact CG2-CD1 3.93Å; I117-F182 HydrophobicContact CG2-CD2 4.15Å; I117-F182 HydrophobicContact CG2-CG 3.71Å; I117-G185 WeakPolarHBondContact O-CA 3.32Å
118	S	93.5	Very high	93	Very high	56 Å²	56	52.9 Å²	52.9	39%	0.392	28%	0.281	S	S	.	.	H	α-helix	trans	-65.1	-29.9	-179.2	-59.5	0	0	0	0	113.2	M114 Q115	M114-S118 WeakPolarHBondContact O-CB 3.5Å; M114-S118 PolarHBondContact O-N 3.26Å; M114-S118 PolarHBondContact O-OG 3.45Å; Q115-S118 PolarHBondContact O-N 3.1Å
119	Q	92.9	Very high	93.2	Very high	132 Å²	132	52.5 Å²	52.5	62%	0.617	28%	0.279	S	S	*	.	H	α-helix	trans	-80.2	-26.5	-180	-73.6	173.1	-11.1	0	0	113.1	Q115 E116 I117 K121	Q115-Q119 VanDerWaalsContact O-CG 3.29Å; Q115-Q119 WeakPolarHBondContact O-CG 3.37Å; Q115-Q119 PolarHBondContact O-N 3.33Å; E116-Q119 PolarHBondContact O-N 2.93Å; I117-Q119 VanDerWaalsContact C-N 3.27Å; I117-Q119 PolarHBondContact O-N 3.37Å; Q119-K121 VanDerWaalsContact C-N 3.32Å; Q119-K121 PolarHBondContact O-N 2.7Å
120	Q	90	Very high	93.5	Very high	68 Å²	68	45.7 Å²	45.7	32%	0.318	25%	0.254	S	S	.	.			trans	-80.7	75.6	-178.5	-70.1	-175.5	13.8	0	0	112.2	E116 I117 W125	E116-Q120 WeakPolarHBondContact O-CG 3.33Å; E116-Q120 PolarHBondContact O-N 2.94Å; I117-Q120 PolarHBondContact O-N 3.18Å; Q120-W125 VanDerWaalsContact OE1-CE2 3.28Å
121	K	88.6	Confident	93.7	Very high	170 Å²	170	44.1 Å²	44.1	74%	0.739	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.7	140.5	172.5	-61.9	-177.6	179.8	179.3	0	110.6	Q119 T123	Q119-K121 VanDerWaalsContact C-N 3.32Å; Q119-K121 PolarHBondContact O-N 2.7Å; K121-T123 VanDerWaalsContact C-N 3.32Å
122	G	91.2	Very high	93.9	Very high	42 Å²	42	42.6 Å²	42.6	43%	0.433	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	83	-0.6	-175.7	0	0	0	0	0	115.5	D184	G122-D184 WeakPolarHBondContact CA-OD1 3.38Å; G122-D184 PolarHBondContact N-OD1 3.44Å
123	T	95	Very high	93.7	Very high	19 Å²	19	47.7 Å²	47.7	12%	0.117	23%	0.234	C	C	.	.			trans	-110.6	130.9	171.5	-56.9	0	0	0	0	110.1	K121 W125 K157	K121-T123 VanDerWaalsContact C-N 3.32Å; T123-W125 HydrophobicContact CG2-CG 4.4Å; T123-K157 HydrophobicContact CG2-CB 4.39Å; T123-K157 HydrophobicContact CG2-CD 3.87Å; T123-K157 HydrophobicContact CG2-CG 3.99Å
124	V	97.6	Very high	93.7	Very high	13 Å²	13	48.2 Å²	48.2	8%	0.079	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	131.8	168.7	-179	0	0	0	0	108.5	N155 L156 K157 L181 F182 R183 V219	V124-N155 PolarHBondContact N-O 3.49Å; V124-L156 HydrophobicContact CB-CD1 3.82Å; V124-L156 HydrophobicContact CG1-CD1 3.61Å; V124-L156 CarbonylContact O-C 3.48Å; V124-L156 WeakPolarHBondContact O-CA 3.24Å; V124-K157 PolarHBondContact O-N 2.94Å; V124-L181 HydrophobicContact CG1-CD1 3.57Å; V124-L181 HydrophobicContact CG1-CG 4.42Å; V124-F182 CarbonylContact C-O 3.54Å; V124-F182 WeakPolarHBondContact CA-O 3.27Å; V124-R183 HydrophobicContact CG1-CG 4Å; V124-R183 HydrophobicContact CG2-CG 4Å; V124-V219 HydrophobicContact CG1-CG1 3.92Å
125	W	97.9	Very high	93.7	Very high	4 Å²	4	50.7 Å²	50.7	2%	0.015	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	126.4	-179.5	-79.3	97.8	0	0	0	110.4	L106 F108 Q120 T123 I127 K157 L181 F182	L106-W125 HydrophobicContact CB-CH2 4.19Å; L106-W125 HydrophobicContact CB-CZ3 4.14Å; L106-W125 HydrophobicContact CD1-CH2 4.17Å; L106-W125 HydrophobicContact CD2-CH2 4.15Å; L106-W125 HydrophobicContact CD2-CZ3 4.46Å; L106-W125 HydrophobicContact CG-CH2 4.39Å; F108-W125 HydrophobicContact CZ-CE3 4.34Å; F108-W125 HydrophobicContact CZ-CH2 4.36Å; F108-W125 HydrophobicContact CZ-CZ3 4.13Å; Q120-W125 VanDerWaalsContact OE1-CE2 3.28Å; T123-W125 HydrophobicContact CG2-CG 4.4Å; W125-I127 HydrophobicContact CB-CD1 4.03Å; W125-I127 HydrophobicContact CB-CG1 4.01Å; W125-I127 HydrophobicContact CE3-CG1 4.39Å; W125-K157 CarbonylContact C-O 3.56Å; W125-K157 WeakPolarHBondContact CA-O 3.12Å; W125-K157 HydrophobicContact CD2-CB 3.77Å; W125-K157 HydrophobicContact CE3-CB 3.46Å; W125-K157 VanDerWaalsContact CE3-CB 3.46Å; W125-K157 HydrophobicContact CH2-CB 3.65Å; W125-K157 HydrophobicContact CH2-CD 3.49Å; W125-K157 VanDerWaalsContact CH2-CD 3.49Å; W125-K157 HydrophobicContact CH2-CG 4.23Å; W125-K157 HydrophobicContact CZ2-CB 3.96Å; W125-K157 HydrophobicContact CZ2-CD 3.35Å; W125-K157 HydrophobicContact CZ2-CG 4.29Å; W125-K157 HydrophobicContact CZ3-CB 3.39Å; W125-K157 HydrophobicContact CZ3-CD 4.17Å; W125-K157 HydrophobicContact CZ3-CG 4.43Å; W125-L181 CarbonylContact O-C 3.58Å; W125-L181 WeakPolarHBondContact O-CA 3.35Å; W125-F182 HydrophobicContact CB-CB 4.15Å; W125-F182 PolarHBondContact N-O 2.81Å; W125-F182 PolarHBondContact O-N 3.47Å
126	L	98.3	Very high	93.7	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	117.1	164.6	-168.2	74	0	0	0	108.3	F144 K157 F158 G159 V179 L181 V210 F214 L216	L126-F144 HydrophobicContact CD2-CE2 3.96Å; L126-F144 HydrophobicContact CG-CE2 4.2Å; L126-K157 PolarHBondContact N-O 3.47Å; L126-F158 HydrophobicContact CB-CD1 4.14Å; L126-F158 HydrophobicContact CB-CE1 4.15Å; L126-F158 HydrophobicContact CD2-CD1 3.92Å; L126-F158 HydrophobicContact CD2-CE1 3.43Å; L126-F158 VanDerWaalsContact CD2-CE1 3.43Å; L126-F158 HydrophobicContact CD2-CZ 4.25Å; L126-F158 HydrophobicContact CG-CE1 4.39Å; L126-F158 CarbonylContact O-C 3.42Å; L126-F158 VanDerWaalsContact O-CA 3.32Å; L126-F158 WeakPolarHBondContact O-CA 3.35Å; L126-G159 PolarHBondContact O-N 3.27Å; L126-V179 HydrophobicContact CD1-CG1 3.69Å; L126-V179 HydrophobicContact CD2-CG1 4.26Å; L126-V179 HydrophobicContact CG-CG1 3.79Å; L126-L181 HydrophobicContact CB-CD1 4.43Å; L126-L181 HydrophobicContact CD1-CB 4.03Å; L126-L181 HydrophobicContact CD1-CD1 3.94Å; L126-V210 HydrophobicContact CD2-CG1 4.48Å; L126-F214 HydrophobicContact CD1-CB 4.46Å; L126-F214 HydrophobicContact CD1-CD1 3.72Å; L126-F214 HydrophobicContact CD1-CD2 4.08Å; L126-F214 HydrophobicContact CD1-CE1 3.84Å; L126-F214 HydrophobicContact CD1-CE2 4.18Å; L126-F214 HydrophobicContact CD1-CG 3.82Å; L126-F214 HydrophobicContact CD1-CZ 4.06Å; L126-L216 HydrophobicContact CD2-CD1 4.42Å; L126-L216 HydrophobicContact CD2-CD2 4.18Å
127	I	97.8	Very high	93.9	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	123.9	-169.9	-55.6	-177.1	0	0	0	110.5	F108 I117 W125 F129 G159 L161 V179 I180 F182	F108-I127 HydrophobicContact CE2-CD1 3.85Å; F108-I127 HydrophobicContact CE2-CG1 4.34Å; F108-I127 HydrophobicContact CE2-CG2 4.25Å; F108-I127 HydrophobicContact CZ-CD1 3.96Å; I117-I127 HydrophobicContact CD1-CD1 3.16Å; I117-I127 HydrophobicContact CG1-CD1 3.68Å; I117-I127 HydrophobicContact CG2-CD1 4.41Å; W125-I127 HydrophobicContact CB-CD1 4.03Å; W125-I127 HydrophobicContact CB-CG1 4.01Å; W125-I127 HydrophobicContact CE3-CG1 4.39Å; I127-F129 HydrophobicContact CB-CE2 4.32Å; I127-F129 HydrophobicContact CG2-CD2 4.23Å; I127-F129 HydrophobicContact CG2-CE2 3.89Å; I127-F129 HydrophobicContact CG2-CZ 4.4Å; I127-G159 CarbonylContact C-O 3.59Å; I127-G159 VanDerWaalsContact CA-O 3.29Å; I127-G159 WeakPolarHBondContact CA-O 3.44Å; I127-L161 HydrophobicContact CG2-CB 4.24Å; I127-V179 CarbonylContact O-C 3.47Å; I127-V179 VanDerWaalsContact O-CA 3.31Å; I127-V179 WeakPolarHBondContact O-CA 3.4Å; I127-I180 PolarHBondContact N-O 3.18Å; I127-I180 PolarHBondContact O-N 2.86Å; I127-F182 HydrophobicContact CB-CD2 4.5Å; I127-F182 HydrophobicContact CB-CE2 4.19Å; I127-F182 HydrophobicContact CD1-CD2 3.72Å; I127-F182 HydrophobicContact CD1-CE2 3.76Å; I127-F182 HydrophobicContact CG1-CD2 4.08Å; I127-F182 HydrophobicContact CG1-CE2 4.19Å
128	E	97.6	Very high	93.8	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.005	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	118.6	169.4	-173.9	-164.2	173.9	0	0	110	F140 F144 G159 K160 L161 P177 V179	E128-F140 HydrophobicContact CB-CE1 4.47Å; E128-F140 HydrophobicContact CG-CD1 4.03Å; E128-F140 HydrophobicContact CG-CE1 3.92Å; E128-F140 WeakPolarHBondContact OE1-CD1 3.09Å; E128-F144 HydrophobicContact CB-CD1 4.41Å; E128-F144 HydrophobicContact CB-CD2 4.26Å; E128-F144 HydrophobicContact CB-CE1 4.14Å; E128-F144 HydrophobicContact CB-CE2 4Å; E128-F144 HydrophobicContact CB-CG 4.44Å; E128-F144 HydrophobicContact CB-CZ 3.91Å; E128-G159 PolarHBondContact N-O 2.89Å; E128-K160 HydrophobicContact CB-CG 4.17Å; E128-K160 WeakPolarHBondContact O-CA 3.31Å; E128-K160 WeakPolarHBondContact OE2-CE 3.4Å; E128-L161 PolarHBondContact O-N 3.43Å; E128-P177 HydrophobicContact CG-CB 4.06Å; E128-V179 HydrophobicContact CB-CG2 4.43Å; E128-V179 HydrophobicContact CG-CG2 4.35Å
129	F	97.3	Very high	93.9	Very high	5 Å²	5	53.8 Å²	53.8	2%	0.022	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	117.2	165.1	-66.4	-103.5	0	0	0	108.1	M114 I127 L161 V163 E169 L173 L176 P177 T178 I180 F182	M114-F129 HydrophobicContact SD-CZ 4.11Å; I127-F129 HydrophobicContact CB-CE2 4.32Å; I127-F129 HydrophobicContact CG2-CD2 4.23Å; I127-F129 HydrophobicContact CG2-CE2 3.89Å; I127-F129 HydrophobicContact CG2-CZ 4.4Å; F129-L161 WeakPolarHBondContact CA-O 3.38Å; F129-L161 HydrophobicContact CD1-CB 4.25Å; F129-L161 HydrophobicContact CD1-CD1 4.21Å; F129-L161 HydrophobicContact CD1-CD2 3.67Å; F129-L161 HydrophobicContact CD1-CG 4.26Å; F129-L161 HydrophobicContact CE1-CB 4.4Å; F129-L161 HydrophobicContact CE1-CD1 3.64Å; F129-L161 HydrophobicContact CE1-CD2 3.89Å; F129-L161 HydrophobicContact CE1-CG 4.19Å; F129-L161 HydrophobicContact CZ-CD1 4.17Å; F129-V163 HydrophobicContact CB-CG1 3.99Å; F129-V163 HydrophobicContact CD1-CG1 4.31Å; F129-E169 HydrophobicContact CE1-CB 4.18Å; F129-L173 HydrophobicContact CB-CD1 3.5Å; F129-L173 VanDerWaalsContact CB-CD1 3.5Å; F129-L173 HydrophobicContact CD1-CD1 3.6Å; F129-L173 HydrophobicContact CD1-CD2 4.41Å; F129-L173 HydrophobicContact CD1-CG 4.5Å; F129-L173 HydrophobicContact CG-CD1 3.73Å; F129-L173 HydrophobicContact CG-CD2 4.27Å; F129-L176 WeakPolarHBondContact O-CD2 3.39Å; F129-P177 WeakPolarHBondContact O-CA 3.24Å; F129-T178 WeakPolarHBondContact CB-O 3.26Å; F129-T178 PolarHBondContact N-O 3.02Å; F129-T178 PolarHBondContact O-N 3.27Å; F129-T178 VanDerWaalsContact O-N 3.1Å; F129-I180 HydrophobicContact CD2-CD1 3.94Å; F129-I180 HydrophobicContact CD2-CG1 3.93Å; F129-I180 HydrophobicContact CE2-CB 4.13Å; F129-I180 HydrophobicContact CE2-CD1 3.45Å; F129-I180 VanDerWaalsContact CE2-CD1 3.45Å; F129-I180 HydrophobicContact CE2-CG1 3.68Å; F129-I180 HydrophobicContact CZ-CD1 4.09Å; F129-F182 HydrophobicContact CE2-CE2 4.46Å
130	Y	96	Very high	94.1	Very high	22 Å²	22	47.6 Å²	47.6	9%	0.086	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	164.6	-169.5	81.6	-76.3	0	0	0	111.8	V98 N132 K160 L161 D162 V163	V98-Y130 HydrophobicContact CG2-CE2 4.27Å; Y130-N132 WeakPolarHBondContact CE2-OD1 3.06Å; Y130-K160 HydrophobicContact CD1-CB 4.04Å; Y130-K160 HydrophobicContact CD1-CG 4.19Å; Y130-K160 HydrophobicContact CE1-CB 3.72Å; Y130-K160 HydrophobicContact CE1-CG 4.24Å; Y130-L161 VanDerWaalsContact CD1-O 3.26Å; Y130-L161 WeakPolarHBondContact CD1-O 3.28Å; Y130-L161 PolarHBondContact N-O 2.92Å; Y130-D162 HydrophobicContact CE1-CB 4.04Å; Y130-D162 WeakPolarHBondContact O-CA 3.3Å; Y130-V163 WeakPolarHBondContact O-CG2 3.32Å; Y130-V163 PolarHBondContact O-N 3.14Å
131	A	93.3	Very high	94.4	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.008	23%	0.227	C	C	.	.			trans	-134.4	141.1	168	0	0	0	0	0	110.4	W133 S134 V163 L176	A131-W133 HydrophobicContact CB-CD2 3.99Å; A131-W133 VanDerWaalsContact CB-CE2 3.47Å; A131-W133 HydrophobicContact CB-CG 4.31Å; A131-W133 HydrophobicContact CB-CH2 4.45Å; A131-W133 HydrophobicContact CB-CZ2 3.74Å; A131-W133 PolarHBondContact O-N 3.48Å; A131-W133 VanDerWaalsContact O-N 3.17Å; A131-S134 WeakPolarHBondContact O-CB 3.46Å; A131-S134 PolarHBondContact O-N 3.34Å; A131-V163 HydrophobicContact CB-CG2 3.92Å; A131-L176 HydrophobicContact CB-CD1 3.64Å
132	N	88.8	Confident	94.7	Very high	73 Å²	73	38.3 Å²	38.3	39%	0.39	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-24.2	-176.7	-59	-55.5	0	0	0	113.7	V98 Y130 K138 D162	V98-N132 HydrophobicContact CG2-CB 4.25Å; V98-N132 VanDerWaalsContact CG2-OD1 3.3Å; V98-N132 WeakPolarHBondContact CG2-OD1 3.32Å; Y130-N132 WeakPolarHBondContact CE2-OD1 3.06Å; N132-K138 WeakPolarHBondContact O-CE 3.4Å; N132-D162 PolarHBondContact ND2-OD2 3.08Å
133	W	88.4	Confident	95	Very high	193 Å²	193	38.2 Å²	38.2	73%	0.731	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-14.9	178.2	52.8	-104.5	0	0	0	113.4	A131 S135 L176	A131-W133 HydrophobicContact CB-CD2 3.99Å; A131-W133 VanDerWaalsContact CB-CE2 3.47Å; A131-W133 HydrophobicContact CB-CG 4.31Å; A131-W133 HydrophobicContact CB-CH2 4.45Å; A131-W133 HydrophobicContact CB-CZ2 3.74Å; A131-W133 PolarHBondContact O-N 3.48Å; A131-W133 VanDerWaalsContact O-N 3.17Å; W133-S135 PolarHBondContact O-N 3.48Å; W133-L176 HydrophobicContact CH2-CD1 3.88Å; W133-L176 HydrophobicContact CZ2-CD1 4.02Å
134	S	92.1	Very high	95.1	Very high	11 Å²	11	37.3 Å²	37.3	8%	0.077	19%	0.188	C	C	.	.			trans	-75.8	120.1	-177.6	174.3	0	0	0	0	110.8	A131 A136 C137 K138	A131-S134 WeakPolarHBondContact O-CB 3.46Å; A131-S134 PolarHBondContact O-N 3.34Å; S134-A136 VanDerWaalsContact C-N 3.3Å; S134-A136 PolarHBondContact O-N 3.23Å; S134-A136 PolarHBondContact OG-N 3.12Å; S134-C137 VanDerWaalsContact CB-SG 3.57Å; S134-C137 PolarHBondContact O-N 2.85Å; S134-C137 PolarHBondContact OG-N 3.26Å; S134-C137 PolarHBondContact OG-SG 3.06Å; S134-K138 WeakPolarHBondContact O-CG 3.46Å; S134-K138 PolarHBondContact O-N 3.17Å; S134-K138 VanDerWaalsContact O-N 3.12Å
135	S	92.1	Very high	95.1	Very high	83 Å²	83	36.7 Å²	36.7	58%	0.58	19%	0.185	S	C	*	.	H	α-helix	trans	-62.8	-37	175.2	56	0	0	0	0	112	W133 K138 H139	W133-S135 PolarHBondContact O-N 3.48Å; S135-K138 WeakPolarHBondContact O-CB 3.42Å; S135-K138 PolarHBondContact O-N 3.47Å; S135-H139 PolarHBondContact O-N 2.72Å; S135-H139 VanDerWaalsContact O-N 3.08Å; S135-H139 PolarHBondContact O-ND1 2.9Å; S135-H139 VanDerWaalsContact O-ND1 3.15Å
136	A	93.8	Very high	95.1	Very high	40 Å²	40	39.8 Å²	39.8	33%	0.331	20%	0.201	S	C	.	.	H	α-helix	trans	-63.1	-42.3	176.7	0	0	0	0	0	111.6	S134 K138 H139 F140	S134-A136 VanDerWaalsContact C-N 3.3Å; S134-A136 PolarHBondContact O-N 3.23Å; S134-A136 PolarHBondContact OG-N 3.12Å; A136-K138 VanDerWaalsContact C-N 3.34Å; A136-K138 PolarHBondContact O-N 3.1Å; A136-H139 PolarHBondContact O-N 3.47Å; A136-F140 WeakPolarHBondContact O-CB 3.46Å; A136-F140 PolarHBondContact O-N 2.93Å
137	C	95.6	Very high	95	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-62.7	-39.8	174	-65.3	0	0	0	0	112.1	S134 H139 F140 A141	S134-C137 VanDerWaalsContact CB-SG 3.57Å; S134-C137 PolarHBondContact O-N 2.85Å; S134-C137 PolarHBondContact OG-N 3.26Å; S134-C137 PolarHBondContact OG-SG 3.06Å; C137-H139 PolarHBondContact O-N 3.09Å; C137-F140 PolarHBondContact O-N 3.42Å; C137-A141 WeakPolarHBondContact O-CB 3.49Å; C137-A141 PolarHBondContact O-N 3.32Å
138	K	93.1	Very high	95	Very high	106 Å²	106	39.8 Å²	39.8	46%	0.461	20%	0.201	S	C	.	.	H	α-helix	trans	-61	-42.7	176.2	-69.6	176.8	-175.1	-172.9	0	112.6	V98 N132 S134 S135 A136 P142	V98-K138 HydrophobicContact CG1-CB 4.37Å; V98-K138 HydrophobicContact CG1-CG 3.98Å; N132-K138 WeakPolarHBondContact O-CE 3.4Å; S134-K138 WeakPolarHBondContact O-CG 3.46Å; S134-K138 PolarHBondContact O-N 3.17Å; S134-K138 VanDerWaalsContact O-N 3.12Å; S135-K138 WeakPolarHBondContact O-CB 3.42Å; S135-K138 PolarHBondContact O-N 3.47Å; A136-K138 VanDerWaalsContact C-N 3.34Å; A136-K138 PolarHBondContact O-N 3.1Å; K138-P142 WeakPolarHBondContact O-CD 3.21Å
139	H	94.4	Very high	95	Very high	146 Å²	146	43.8 Å²	43.8	68%	0.676	22%	0.223	S	C	*	.	H	α-helix	trans	-69.5	-33.6	176.6	-64.7	132.7	0	0	0	112.8	S135 A136 C137 P142	S135-H139 PolarHBondContact O-N 2.72Å; S135-H139 VanDerWaalsContact O-N 3.08Å; S135-H139 PolarHBondContact O-ND1 2.9Å; S135-H139 VanDerWaalsContact O-ND1 3.15Å; A136-H139 PolarHBondContact O-N 3.47Å; C137-H139 PolarHBondContact O-N 3.09Å; H139-P142 WeakPolarHBondContact O-CD 3.41Å; H139-P142 WeakPolarHBondContact O-CG 3.39Å
140	F	96.9	Very high	95	Very high	2 Å²	2	48.7 Å²	48.7	1%	0.009	24%	0.244	C	C	.	.	H	α-helix	trans	-79.2	-26.5	-179.5	-177.4	-125.9	0	0	0	113.8	E128 A136 C137 I143 F144 P177 V179 F205 V210	E128-F140 HydrophobicContact CB-CE1 4.47Å; E128-F140 HydrophobicContact CG-CD1 4.03Å; E128-F140 HydrophobicContact CG-CE1 3.92Å; E128-F140 WeakPolarHBondContact OE1-CD1 3.09Å; A136-F140 WeakPolarHBondContact O-CB 3.46Å; A136-F140 PolarHBondContact O-N 2.93Å; C137-F140 PolarHBondContact O-N 3.42Å; F140-I143 HydrophobicContact CD2-CB 3.93Å; F140-I143 HydrophobicContact CD2-CD1 4.42Å; F140-I143 HydrophobicContact CD2-CG2 4.16Å; F140-I143 HydrophobicContact CE2-CB 4.13Å; F140-I143 HydrophobicContact CE2-CG2 3.92Å; F140-I143 WeakPolarHBondContact O-CB 3.41Å; F140-I143 PolarHBondContact O-N 2.78Å; F140-F144 HydrophobicContact CD1-CB 4.26Å; F140-F144 HydrophobicContact CE1-CB 3.83Å; F140-F144 AromaticContact CE1-CD2 3.66Å; F140-F144 HydrophobicContact CE1-CD2 3.66Å; F140-F144 HydrophobicContact CE1-CG 4.05Å; F140-F144 HydrophobicContact CE2-CB 4.38Å; F140-F144 HydrophobicContact CZ-CB 3.91Å; F140-F144 AromaticContact CZ-CD2 3.66Å; F140-F144 HydrophobicContact CZ-CD2 3.66Å; F140-F144 HydrophobicContact CZ-CG 4.24Å; F140-F144 PolarHBondContact O-N 2.87Å; F140-P177 HydrophobicContact CB-CG 4.17Å; F140-P177 HydrophobicContact CD1-CB 4.16Å; F140-P177 HydrophobicContact CD1-CG 3.95Å; F140-P177 HydrophobicContact CG-CG 4.29Å; F140-V179 HydrophobicContact CE1-CG2 3.51Å; F140-V179 HydrophobicContact CZ-CG2 3.87Å; F140-F205 HydrophobicContact CB-CB 4.35Å; F140-F205 HydrophobicContact CD1-CD1 4.31Å; F140-F205 HydrophobicContact CD2-CB 3.59Å; F140-F205 HydrophobicContact CD2-CD1 4Å; F140-F205 HydrophobicContact CD2-CG 4.13Å; F140-F205 HydrophobicContact CE1-CD1 4.23Å; F140-F205 HydrophobicContact CE2-CB 4.1Å; F140-F205 AromaticContact CE2-CD1 3.91Å; F140-F205 HydrophobicContact CE2-CD1 3.91Å; F140-F205 HydrophobicContact CE2-CG 4.45Å; F140-F205 HydrophobicContact CG-CB 4.06Å; F140-F205 HydrophobicContact CG-CD1 4.19Å; F140-F205 HydrophobicContact CG-CG 4.28Å; F140-F205 HydrophobicContact CZ-CD1 4.02Å; F140-V210 HydrophobicContact CE2-CG2 3.92Å; F140-V210 HydrophobicContact CZ-CG2 4.15Å
141	A	95.8	Very high	95.1	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-51	-45.6	-177.4	0	0	0	0	0	116	V98 F99 C137 A145	V98-A141 HydrophobicContact CG1-CB 3.58Å; F99-A141 HydrophobicContact CB-CB 3.78Å; F99-A141 HydrophobicContact CG-CB 4.47Å; C137-A141 WeakPolarHBondContact O-CB 3.49Å; C137-A141 PolarHBondContact O-N 3.32Å; A141-A145 WeakPolarHBondContact O-CB 3.3Å; A141-A145 PolarHBondContact O-N 2.88Å
142	P	96.1	Very high	95.3	Very high	44 Å²	44	50.5 Å²	50.5	29%	0.286	26%	0.259	S	S	.	.	H	α-helix	trans	-63.1	-40	174.2	22.5	-33.5	0	0	0	112.8	F99 K138 H139 A145 D146	F99-P142 HydrophobicContact CD2-CB 3.95Å; F99-P142 HydrophobicContact CE2-CB 3.59Å; F99-P142 HydrophobicContact CZ-CB 4.22Å; K138-P142 WeakPolarHBondContact O-CD 3.21Å; H139-P142 WeakPolarHBondContact O-CD 3.41Å; H139-P142 WeakPolarHBondContact O-CG 3.39Å; P142-A145 WeakPolarHBondContact O-CB 3.49Å; P142-A145 PolarHBondContact O-N 3.19Å; P142-D146 PolarHBondContact O-N 2.85Å
143	I	97	Very high	95.7	Very high	39 Å²	39	48.5 Å²	48.5	20%	0.2	25%	0.248	C	C	.	.	H	α-helix	trans	-65	-45.4	-179.3	-59.5	170.5	0	0	0	110	F140 A145 D146 L147 F205 E207	F140-I143 HydrophobicContact CD2-CB 3.93Å; F140-I143 HydrophobicContact CD2-CD1 4.42Å; F140-I143 HydrophobicContact CD2-CG2 4.16Å; F140-I143 HydrophobicContact CE2-CB 4.13Å; F140-I143 HydrophobicContact CE2-CG2 3.92Å; F140-I143 WeakPolarHBondContact O-CB 3.41Å; F140-I143 PolarHBondContact O-N 2.78Å; I143-A145 VanDerWaalsContact C-N 3.31Å; I143-A145 PolarHBondContact O-N 2.85Å; I143-D146 PolarHBondContact O-N 3.46Å; I143-L147 HydrophobicContact CG2-CD1 4.27Å; I143-L147 VanDerWaalsContact O-CG 3.3Å; I143-L147 WeakPolarHBondContact O-CG 3.49Å; I143-L147 PolarHBondContact O-N 3.32Å; I143-F205 WeakPolarHBondContact CD1-O 3Å; I143-E207 HydrophobicContact CG2-CB 4.05Å
144	F	98	Very high	96	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-64.9	-36.4	176.9	-166.3	-100.8	0	0	0	112.3	V105 L126 E128 F140 S148 F158 G159 K160 V179	V105-F144 HydrophobicContact CG1-CD1 4.45Å; V105-F144 HydrophobicContact CG1-CE1 3.92Å; V105-F144 HydrophobicContact CG2-CD1 3.87Å; V105-F144 HydrophobicContact CG2-CE1 3.87Å; L126-F144 HydrophobicContact CD2-CE2 3.96Å; L126-F144 HydrophobicContact CG-CE2 4.2Å; E128-F144 HydrophobicContact CB-CD1 4.41Å; E128-F144 HydrophobicContact CB-CD2 4.26Å; E128-F144 HydrophobicContact CB-CE1 4.14Å; E128-F144 HydrophobicContact CB-CE2 4Å; E128-F144 HydrophobicContact CB-CG 4.44Å; E128-F144 HydrophobicContact CB-CZ 3.91Å; F140-F144 HydrophobicContact CD1-CB 4.26Å; F140-F144 HydrophobicContact CE1-CB 3.83Å; F140-F144 AromaticContact CE1-CD2 3.66Å; F140-F144 HydrophobicContact CE1-CD2 3.66Å; F140-F144 HydrophobicContact CE1-CG 4.05Å; F140-F144 HydrophobicContact CE2-CB 4.38Å; F140-F144 HydrophobicContact CZ-CB 3.91Å; F140-F144 AromaticContact CZ-CD2 3.66Å; F140-F144 HydrophobicContact CZ-CD2 3.66Å; F140-F144 HydrophobicContact CZ-CG 4.24Å; F140-F144 PolarHBondContact O-N 2.87Å; F144-S148 WeakPolarHBondContact O-CB 3.4Å; F144-S148 PolarHBondContact O-N 3.36Å; F144-F158 HydrophobicContact CE1-CB 4.1Å; F144-F158 HydrophobicContact CE1-CD1 4.24Å; F144-F158 AromaticContact CE2-CD1 3.99Å; F144-F158 HydrophobicContact CE2-CD1 3.99Å; F144-F158 HydrophobicContact CZ-CB 4.14Å; F144-F158 AromaticContact CZ-CD1 3.81Å; F144-F158 HydrophobicContact CZ-CD1 3.81Å; F144-F158 HydrophobicContact CZ-CG 4.48Å; F144-G159 WeakPolarHBondContact CZ-O 3.36Å; F144-K160 HydrophobicContact CD1-CG 4.33Å; F144-K160 HydrophobicContact CE1-CG 4.11Å; F144-V179 HydrophobicContact CE2-CG1 4.42Å
145	A	96.8	Very high	96.1	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-63	-47	173.9	0	0	0	0	0	111.8	F99 E103 A141 P142 I143 L147 S148 L149	F99-A145 HydrophobicContact CD1-CB 3.84Å; F99-A145 HydrophobicContact CE1-CB 3.31Å; F99-A145 HydrophobicContact CZ-CB 4Å; E103-A145 HydrophobicContact CB-CB 3.64Å; A141-A145 WeakPolarHBondContact O-CB 3.3Å; A141-A145 PolarHBondContact O-N 2.88Å; P142-A145 WeakPolarHBondContact O-CB 3.49Å; P142-A145 PolarHBondContact O-N 3.19Å; I143-A145 VanDerWaalsContact C-N 3.31Å; I143-A145 PolarHBondContact O-N 2.85Å; A145-L147 PolarHBondContact O-N 3.11Å; A145-S148 WeakPolarHBondContact O-CB 3.34Å; A145-S148 PolarHBondContact O-N 3.4Å; A145-S148 VanDerWaalsContact O-N 3.14Å; A145-S148 PolarHBondContact O-OG 3.37Å; A145-L149 WeakPolarHBondContact O-CG 3.12Å; A145-L149 PolarHBondContact O-N 2.84Å
146	D	97.1	Very high	96.4	Very high	69 Å²	69	40.2 Å²	40.2	37%	0.369	22%	0.216	S	C	.	.	H	α-helix	trans	-62.7	-42.4	178.2	-72.1	-19.8	0	0	0	111.9	P142 I143 S148 L149 K150	P142-D146 PolarHBondContact O-N 2.85Å; I143-D146 PolarHBondContact O-N 3.46Å; D146-S148 VanDerWaalsContact C-N 3.31Å; D146-S148 PolarHBondContact O-N 3.09Å; D146-L149 PolarHBondContact O-N 3.18Å; D146-K150 VanDerWaalsContact O-CG 3.3Å; D146-K150 WeakPolarHBondContact O-CG 3.45Å; D146-K150 PolarHBondContact O-N 3.32Å
147	L	98.1	Very high	96.5	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-60	-42.4	173.6	-71	173.3	0	0	0	111.7	I143 A145 L149 K150 Y151 F158 E207 V210 I211 L216	I143-L147 HydrophobicContact CG2-CD1 4.27Å; I143-L147 VanDerWaalsContact O-CG 3.3Å; I143-L147 WeakPolarHBondContact O-CG 3.49Å; I143-L147 PolarHBondContact O-N 3.32Å; A145-L147 PolarHBondContact O-N 3.11Å; L147-L149 VanDerWaalsContact C-N 3.32Å; L147-L149 PolarHBondContact O-N 2.88Å; L147-K150 PolarHBondContact O-N 3.25Å; L147-Y151 HydrophobicContact CD2-CD2 4.11Å; L147-Y151 HydrophobicContact CD2-CE2 3.83Å; L147-Y151 WeakPolarHBondContact O-CB 3.49Å; L147-Y151 WeakPolarHBondContact O-CD2 2.96Å; L147-Y151 PolarHBondContact O-N 2.91Å; L147-F158 HydrophobicContact CB-CE1 4.03Å; L147-E207 HydrophobicContact CD2-CG 3.58Å; L147-E207 HydrophobicContact CG-CG 4.12Å; L147-V210 HydrophobicContact CD1-CB 3.86Å; L147-V210 HydrophobicContact CD1-CG1 3.53Å; L147-I211 HydrophobicContact CD2-CD1 3.85Å; L147-I211 HydrophobicContact CD2-CG1 3.61Å; L147-L216 HydrophobicContact CD1-CD1 4.49Å; L147-L216 HydrophobicContact CD2-CD1 4.11Å
148	S	97.8	Very high	96.7	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-61.8	-40.7	177.6	77.6	0	0	0	0	111.9	A104 V105 F144 A145 D146 A152	A104-S148 PolarHBondContact N-OG 3.36Å; V105-S148 WeakPolarHBondContact CG2-OG 3.33Å; F144-S148 WeakPolarHBondContact O-CB 3.4Å; F144-S148 PolarHBondContact O-N 3.36Å; A145-S148 WeakPolarHBondContact O-CB 3.34Å; A145-S148 PolarHBondContact O-N 3.4Å; A145-S148 VanDerWaalsContact O-N 3.14Å; A145-S148 PolarHBondContact O-OG 3.37Å; D146-S148 VanDerWaalsContact C-N 3.31Å; D146-S148 PolarHBondContact O-N 3.09Å; S148-A152 WeakPolarHBondContact O-CA 3.29Å; S148-A152 WeakPolarHBondContact O-CB 3.44Å; S148-A152 PolarHBondContact O-N 3.37Å
149	L	97.4	Very high	96.9	Very high	86 Å²	86	36.6 Å²	36.6	45%	0.45	19%	0.192	S	C	.	.	H	α-helix	trans	-68.4	-37.6	178.3	-68.8	172.7	0	0	0	112.3	P102 A104 A145 D146 L147	P102-L149 HydrophobicContact CB-CD1 4Å; P102-L149 HydrophobicContact CG-CD1 3.99Å; P102-L149 WeakPolarHBondContact O-CD1 3.45Å; A104-L149 HydrophobicContact CB-CD2 4.19Å; A145-L149 WeakPolarHBondContact O-CG 3.12Å; A145-L149 PolarHBondContact O-N 2.84Å; D146-L149 PolarHBondContact O-N 3.18Å; L147-L149 VanDerWaalsContact C-N 3.32Å; L147-L149 PolarHBondContact O-N 2.88Å
150	K	96.9	Very high	97	Very high	107 Å²	107	29.9 Å²	29.9	47%	0.465	16%	0.161	S	C	.	.	H	α-helix	trans	-72.4	-37.9	-179.2	-71.5	169.6	-179.5	174.5	0	112.7	D146 L147 E207	D146-K150 VanDerWaalsContact O-CG 3.3Å; D146-K150 WeakPolarHBondContact O-CG 3.45Å; D146-K150 PolarHBondContact O-N 3.32Å; L147-K150 PolarHBondContact O-N 3.25Å; K150-E207 IonicContact NZ-OE1 3.81Å; K150-E207 PolarHBondContact NZ-OE1 3.44Å; K150-E207 IonicContact NZ-OE2 3.86Å; K150-E207 PolarHBondContact NZ-OE2 3.38Å
151	Y	98	Very high	96.9	Very high	23 Å²	23	29.8 Å²	29.8	9%	0.09	16%	0.161	C	C	.	.	H	α-helix	trans	-116.4	-8.5	-167.7	-66.4	-79.3	0	0	0	115.1	L147 L153 L156 I211 L216 N217 Y220	L147-Y151 HydrophobicContact CD2-CD2 4.11Å; L147-Y151 HydrophobicContact CD2-CE2 3.83Å; L147-Y151 WeakPolarHBondContact O-CB 3.49Å; L147-Y151 WeakPolarHBondContact O-CD2 2.96Å; L147-Y151 PolarHBondContact O-N 2.91Å; Y151-L153 PolarHBondContact O-N 3.15Å; Y151-L156 WeakPolarHBondContact O-CD2 3.49Å; Y151-I211 HydrophobicContact CE2-CD1 4.09Å; Y151-I211 HydrophobicContact CE2-CG1 4.03Å; Y151-I211 WeakPolarHBondContact OH-CD1 3.18Å; Y151-L216 HydrophobicContact CD1-CB 4.36Å; Y151-L216 HydrophobicContact CD2-CD1 4.29Å; Y151-L216 HydrophobicContact CE1-CB 4.12Å; Y151-L216 HydrophobicContact CE2-CB 4.4Å; Y151-L216 HydrophobicContact CE2-CD1 4.33Å; Y151-N217 PolarHBondContact OH-OD1 2.96Å; Y151-Y220 AromaticContact CD1-CD2 3.86Å; Y151-Y220 HydrophobicContact CD1-CD2 3.86Å; Y151-Y220 AromaticContact CD1-CG 3.84Å; Y151-Y220 HydrophobicContact CD1-CG 3.84Å; Y151-Y220 HydrophobicContact CG-CD2 4.49Å; Y151-Y220 VanDerWaalsContact O-CD2 3.32Å; Y151-Y220 WeakPolarHBondContact O-CD2 3.44Å
152	A	97.2	Very high	96.8	Very high	38 Å²	38	31.4 Å²	31.4	31%	0.314	17%	0.169	S	C	.	.			trans	-61.7	133.1	-178.3	0	0	0	0	0	112.2	A104 S148 L156 F158	A104-A152 HydrophobicContact CB-CB 3.78Å; S148-A152 WeakPolarHBondContact O-CA 3.29Å; S148-A152 WeakPolarHBondContact O-CB 3.44Å; S148-A152 PolarHBondContact O-N 3.37Å; A152-L156 WeakPolarHBondContact CA-O 3.42Å; A152-F158 HydrophobicContact CB-CD2 4.3Å
153	L	96.5	Very high	96.7	Very high	32 Å²	32	30 Å²	30	17%	0.168	16%	0.16	C	C	.	.	B	Isolated β-bridge	trans	-136.7	163.7	172.6	-61.4	171	0	0	0	109	Y151 N155 L156 Y220 C223 T224 M227	Y151-L153 PolarHBondContact O-N 3.15Å; L153-N155 PolarHBondContact O-N 3.33Å; L153-N155 VanDerWaalsContact O-N 3.08Å; L153-L156 HydrophobicContact CB-CB 4.02Å; L153-L156 HydrophobicContact CD1-CB 4.43Å; L153-L156 HydrophobicContact CG-CB 4.47Å; L153-L156 PolarHBondContact N-O 3.36Å; L153-L156 CarbonylContact O-C 3.34Å; L153-L156 PolarHBondContact O-N 3.46Å; L153-Y220 HydrophobicContact CD1-CD2 3.67Å; L153-Y220 HydrophobicContact CD1-CE2 3.63Å; L153-Y220 HydrophobicContact CD1-CG 4.41Å; L153-Y220 HydrophobicContact CD2-CE2 3.7Å; L153-Y220 HydrophobicContact CG-CD2 3.99Å; L153-Y220 HydrophobicContact CG-CE2 3.6Å; L153-C223 HydrophobicContact CD1-CB 3.83Å; L153-T224 WeakPolarHBondContact CD1-OG1 3.43Å; L153-M227 HydrophobicContact CB-SD 4.18Å
154	P	94.6	Very high	96.4	Very high	94 Å²	94	31 Å²	31	61%	0.61	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-31.9	173.3	-30.7	37	0	0	0	114.9	K157 M227	P154-K157 WeakPolarHBondContact O-CE 3.43Å; P154-M227 HydrophobicContact CB-CE 4.3Å; P154-M227 HydrophobicContact CB-SD 4.5Å; P154-M227 HydrophobicContact CG-CE 3.69Å; P154-M227 HydrophobicContact CG-SD 4.27Å
155	N	95.2	Very high	96.1	Very high	19 Å²	19	37.9 Å²	37.9	10%	0.102	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	5.1	177	66.1	-21.3	0	0	0	114.3	V124 L153 C223 M227	V124-N155 PolarHBondContact N-O 3.49Å; L153-N155 PolarHBondContact O-N 3.33Å; L153-N155 VanDerWaalsContact O-N 3.08Å; N155-C223 WeakPolarHBondContact ND2-CA 3.25Å; N155-C223 PolarHBondContact ND2-O 2.95Å; N155-M227 PolarHBondContact OD1-SD 2.8Å; N155-M227 VanDerWaalsContact OD1-SD 3.38Å
156	L	97.4	Very high	95.9	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	99.2	173	176	56.4	0	0	0	109	V124 Y151 A152 L153 F158 V219 Y220 C223	V124-L156 HydrophobicContact CB-CD1 3.82Å; V124-L156 HydrophobicContact CG1-CD1 3.61Å; V124-L156 CarbonylContact O-C 3.48Å; V124-L156 WeakPolarHBondContact O-CA 3.24Å; Y151-L156 WeakPolarHBondContact O-CD2 3.49Å; A152-L156 WeakPolarHBondContact CA-O 3.42Å; L153-L156 HydrophobicContact CB-CB 4.02Å; L153-L156 HydrophobicContact CD1-CB 4.43Å; L153-L156 HydrophobicContact CG-CB 4.47Å; L153-L156 PolarHBondContact N-O 3.36Å; L153-L156 CarbonylContact O-C 3.34Å; L153-L156 PolarHBondContact O-N 3.46Å; L156-F158 HydrophobicContact CG-CE2 4.34Å; L156-V219 HydrophobicContact CD1-CG1 3.91Å; L156-V219 HydrophobicContact CD2-CG1 4.05Å; L156-Y220 HydrophobicContact CD2-CD2 4.2Å; L156-C223 HydrophobicContact CB-CB 4.29Å
157	K	97.4	Very high	95.6	Very high	67 Å²	67	39.1 Å²	39.1	29%	0.291	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	147.6	-170.6	-63.8	-179.2	-173.4	169.5	0	111.7	T123 V124 W125 L126 P154	T123-K157 HydrophobicContact CG2-CB 4.39Å; T123-K157 HydrophobicContact CG2-CD 3.87Å; T123-K157 HydrophobicContact CG2-CG 3.99Å; V124-K157 PolarHBondContact O-N 2.94Å; W125-K157 CarbonylContact C-O 3.56Å; W125-K157 WeakPolarHBondContact CA-O 3.12Å; W125-K157 HydrophobicContact CD2-CB 3.77Å; W125-K157 HydrophobicContact CE3-CB 3.46Å; W125-K157 VanDerWaalsContact CE3-CB 3.46Å; W125-K157 HydrophobicContact CH2-CB 3.65Å; W125-K157 HydrophobicContact CH2-CD 3.49Å; W125-K157 VanDerWaalsContact CH2-CD 3.49Å; W125-K157 HydrophobicContact CH2-CG 4.23Å; W125-K157 HydrophobicContact CZ2-CB 3.96Å; W125-K157 HydrophobicContact CZ2-CD 3.35Å; W125-K157 HydrophobicContact CZ2-CG 4.29Å; W125-K157 HydrophobicContact CZ3-CB 3.39Å; W125-K157 HydrophobicContact CZ3-CD 4.17Å; W125-K157 HydrophobicContact CZ3-CG 4.43Å; L126-K157 PolarHBondContact N-O 3.47Å; P154-K157 WeakPolarHBondContact O-CE 3.43Å
158	F	98.3	Very high	95.3	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.009	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	132.7	175.9	-70.9	-106.9	0	0	0	108.8	V105 L106 L126 F144 L147 A152 L156	V105-F158 HydrophobicContact CG2-CB 4.13Å; L106-F158 PolarHBondContact N-O 2.92Å; L126-F158 HydrophobicContact CB-CD1 4.14Å; L126-F158 HydrophobicContact CB-CE1 4.15Å; L126-F158 HydrophobicContact CD2-CD1 3.92Å; L126-F158 HydrophobicContact CD2-CE1 3.43Å; L126-F158 VanDerWaalsContact CD2-CE1 3.43Å; L126-F158 HydrophobicContact CD2-CZ 4.25Å; L126-F158 HydrophobicContact CG-CE1 4.39Å; L126-F158 CarbonylContact O-C 3.42Å; L126-F158 VanDerWaalsContact O-CA 3.32Å; L126-F158 WeakPolarHBondContact O-CA 3.35Å; F144-F158 HydrophobicContact CE1-CB 4.1Å; F144-F158 HydrophobicContact CE1-CD1 4.24Å; F144-F158 AromaticContact CE2-CD1 3.99Å; F144-F158 HydrophobicContact CE2-CD1 3.99Å; F144-F158 HydrophobicContact CZ-CB 4.14Å; F144-F158 AromaticContact CZ-CD1 3.81Å; F144-F158 HydrophobicContact CZ-CD1 3.81Å; F144-F158 HydrophobicContact CZ-CG 4.48Å; L147-F158 HydrophobicContact CB-CE1 4.03Å; A152-F158 HydrophobicContact CB-CD2 4.3Å; L156-F158 HydrophobicContact CG-CE2 4.34Å
159	G	97.1	Very high	95	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	147.9	-175.7	0	0	0	0	0	112.5	L106 L126 I127 E128 F144	L106-G159 CarbonylContact O-C 3.57Å; L106-G159 VanDerWaalsContact O-CA 3.24Å; L106-G159 WeakPolarHBondContact O-CA 3.36Å; L126-G159 PolarHBondContact O-N 3.27Å; I127-G159 CarbonylContact C-O 3.59Å; I127-G159 VanDerWaalsContact CA-O 3.29Å; I127-G159 WeakPolarHBondContact CA-O 3.44Å; E128-G159 PolarHBondContact N-O 2.89Å; F144-G159 WeakPolarHBondContact CZ-O 3.36Å
160	K	96.6	Very high	94.7	Very high	6 Å²	6	44.6 Å²	44.6	3%	0.026	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	128.7	171	-91.5	175	-177.5	163	0	109.9	E103 V105 L106 Y107 F108 E128 Y130 F144	E103-K160 IonicContact OE2-NZ 2.9Å; E103-K160 PolarHBondContact OE2-NZ 2.97Å; V105-K160 HydrophobicContact CG1-CB 3.9Å; V105-K160 HydrophobicContact CG1-CD 3.86Å; V105-K160 HydrophobicContact CG1-CG 3.74Å; L106-K160 PolarHBondContact O-N 2.86Å; Y107-K160 HydrophobicContact CD1-CB 3.83Å; Y107-K160 HydrophobicContact CD1-CD 4.39Å; Y107-K160 HydrophobicContact CE1-CB 3.86Å; Y107-K160 HydrophobicContact CE1-CD 3.56Å; Y107-K160 HydrophobicContact CE1-CG 4.36Å; Y107-K160 HydrophobicContact CG-CB 4.44Å; Y107-K160 PolarHBondContact OH-NZ 3.4Å; F108-K160 PolarHBondContact N-O 3.39Å; E128-K160 HydrophobicContact CB-CG 4.17Å; E128-K160 WeakPolarHBondContact O-CA 3.31Å; E128-K160 WeakPolarHBondContact OE2-CE 3.4Å; Y130-K160 HydrophobicContact CD1-CB 4.04Å; Y130-K160 HydrophobicContact CD1-CG 4.19Å; Y130-K160 HydrophobicContact CE1-CB 3.72Å; Y130-K160 HydrophobicContact CE1-CG 4.24Å; F144-K160 HydrophobicContact CD1-CG 4.33Å; F144-K160 HydrophobicContact CE1-CG 4.11Å
161	L	95.5	Very high	94.4	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	117.6	-179.7	-171.8	160	0	0	0	109.9	F108 P113 I127 E128 F129 Y130 V163 Y166 E169	F108-L161 HydrophobicContact CD2-CB 4.29Å; P113-L161 HydrophobicContact CB-CD1 3.73Å; P113-L161 HydrophobicContact CG-CD1 3.54Å; P113-L161 HydrophobicContact CG-CG 4.38Å; I127-L161 HydrophobicContact CG2-CB 4.24Å; E128-L161 PolarHBondContact O-N 3.43Å; F129-L161 WeakPolarHBondContact CA-O 3.38Å; F129-L161 HydrophobicContact CD1-CB 4.25Å; F129-L161 HydrophobicContact CD1-CD1 4.21Å; F129-L161 HydrophobicContact CD1-CD2 3.67Å; F129-L161 HydrophobicContact CD1-CG 4.26Å; F129-L161 HydrophobicContact CE1-CB 4.4Å; F129-L161 HydrophobicContact CE1-CD1 3.64Å; F129-L161 HydrophobicContact CE1-CD2 3.89Å; F129-L161 HydrophobicContact CE1-CG 4.19Å; F129-L161 HydrophobicContact CZ-CD1 4.17Å; Y130-L161 VanDerWaalsContact CD1-O 3.26Å; Y130-L161 WeakPolarHBondContact CD1-O 3.28Å; Y130-L161 PolarHBondContact N-O 2.92Å; L161-V163 HydrophobicContact CD2-CG1 4.49Å; L161-V163 PolarHBondContact O-N 3.35Å; L161-Y166 HydrophobicContact CD1-CD2 4.42Å; L161-Y166 HydrophobicContact CD2-CD2 3.54Å; L161-Y166 HydrophobicContact CD2-CE2 4.47Å; L161-Y166 HydrophobicContact CD2-CG 4Å; L161-Y166 HydrophobicContact CG-CD2 3.67Å; L161-Y166 HydrophobicContact CG-CE2 4.15Å; L161-Y166 HydrophobicContact CG-CG 4.36Å; L161-E169 HydrophobicContact CD1-CG 4.48Å; L161-E169 HydrophobicContact CD2-CB 4.43Å
162	D	93.9	Very high	94	Very high	33 Å²	33	53.1 Å²	53.1	18%	0.176	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	110.1	179.3	-172.3	-23.2	0	0	0	110.2	Y130 N132 G164 R165 Y166	Y130-D162 HydrophobicContact CE1-CB 4.04Å; Y130-D162 WeakPolarHBondContact O-CA 3.3Å; N132-D162 PolarHBondContact ND2-OD2 3.08Å; D162-G164 PolarHBondContact O-N 2.85Å; D162-G164 WeakPolarHBondContact OD1-CA 3.42Å; D162-G164 PolarHBondContact OD1-N 3.48Å; D162-R165 HydrophobicContact CB-CB 4.27Å; D162-R165 WeakPolarHBondContact O-CB 3.48Å; D162-R165 PolarHBondContact O-N 3.39Å; D162-Y166 WeakPolarHBondContact O-CD2 3.19Å; D162-Y166 PolarHBondContact O-N 3.43Å
163	V	94.1	Very high	93.8	Very high	14 Å²	14	52.5 Å²	52.5	9%	0.085	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-20.7	-178	-57.3	0	0	0	0	112.9	F129 Y130 A131 L161 R165 Y166 A170 L173 L176	F129-V163 HydrophobicContact CB-CG1 3.99Å; F129-V163 HydrophobicContact CD1-CG1 4.31Å; Y130-V163 WeakPolarHBondContact O-CG2 3.32Å; Y130-V163 PolarHBondContact O-N 3.14Å; A131-V163 HydrophobicContact CB-CG2 3.92Å; L161-V163 HydrophobicContact CD2-CG1 4.49Å; L161-V163 PolarHBondContact O-N 3.35Å; V163-R165 PolarHBondContact O-N 2.9Å; V163-Y166 CarbonylContact O-C 3.58Å; V163-Y166 PolarHBondContact O-N 3.11Å; V163-A170 HydrophobicContact CB-CB 3.87Å; V163-L173 HydrophobicContact CG1-CD1 3.6Å; V163-L176 HydrophobicContact CG1-CD2 3.94Å; V163-L176 HydrophobicContact CG2-CD1 3.8Å; V163-L176 HydrophobicContact CG2-CD2 4.13Å
164	G	90.9	Very high	93.4	Very high	62 Å²	62	55.4 Å²	55.4	64%	0.639	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-24.2	171.9	0	0	0	0	0	112.7	D162	D162-G164 PolarHBondContact O-N 2.85Å; D162-G164 WeakPolarHBondContact OD1-CA 3.42Å; D162-G164 PolarHBondContact OD1-N 3.48Å
165	R	91	Very high	93.4	Very high	144 Å²	144	53.8 Å²	53.8	54%	0.543	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-25.3	177.2	-154.3	178.6	-147.5	-142.2	-2.2	112.9	R109 D162 V163 P167	R109-R165 PolarHBondContact O-NH1 2.97Å; D162-R165 HydrophobicContact CB-CB 4.27Å; D162-R165 WeakPolarHBondContact O-CB 3.48Å; D162-R165 PolarHBondContact O-N 3.39Å; V163-R165 PolarHBondContact O-N 2.9Å; R165-P167 WeakPolarHBondContact O-CD 3.34Å
166	Y	93.1	Very high	93.4	Very high	12 Å²	12	54.3 Å²	54.3	5%	0.047	28%	0.283	C	S	.	.			trans	-124.3	73.4	-173.4	-64.6	-68.9	0	0	0	110.2	F108 R109 G110 P113 L161 D162 V163 Q168 E169 A170	F108-Y166 HydrophobicContact CB-CE2 4.42Å; R109-Y166 WeakPolarHBondContact CA-OH 3.47Å; G110-Y166 PolarHBondContact N-OH 3.22Å; G110-Y166 WeakPolarHBondContact O-CE1 3.41Å; G110-Y166 VanDerWaalsContact O-CZ 3.26Å; G110-Y166 PolarHBondContact O-OH 2.95Å; P113-Y166 HydrophobicContact CG-CD1 3.75Å; P113-Y166 HydrophobicContact CG-CD2 4.35Å; P113-Y166 HydrophobicContact CG-CE1 3.7Å; P113-Y166 HydrophobicContact CG-CE2 4.29Å; P113-Y166 HydrophobicContact CG-CG 4.1Å; L161-Y166 HydrophobicContact CD1-CD2 4.42Å; L161-Y166 HydrophobicContact CD2-CD2 3.54Å; L161-Y166 HydrophobicContact CD2-CE2 4.47Å; L161-Y166 HydrophobicContact CD2-CG 4Å; L161-Y166 HydrophobicContact CG-CD2 3.67Å; L161-Y166 HydrophobicContact CG-CE2 4.15Å; L161-Y166 HydrophobicContact CG-CG 4.36Å; D162-Y166 WeakPolarHBondContact O-CD2 3.19Å; D162-Y166 PolarHBondContact O-N 3.43Å; V163-Y166 CarbonylContact O-C 3.58Å; V163-Y166 PolarHBondContact O-N 3.11Å; Y166-Q168 VanDerWaalsContact C-N 3.26Å; Y166-Q168 PolarHBondContact O-N 3.39Å; Y166-E169 WeakPolarHBondContact CB-OE2 3.24Å; Y166-E169 PolarHBondContact O-N 3.48Å; Y166-A170 PolarHBondContact O-N 2.93Å
167	P	89.8	Confident	93.3	Very high	83 Å²	83	54.3 Å²	54.3	54%	0.539	28%	0.284	S	S	.	.	H	α-helix	trans	-67.2	-24.9	-174	26.3	-34.9	0	0	0	113.3	R165 A170 Q171	R165-P167 WeakPolarHBondContact O-CD 3.34Å; P167-A170 WeakPolarHBondContact O-CB 3.45Å; P167-A170 PolarHBondContact O-N 2.92Å; P167-Q171 WeakPolarHBondContact O-CG 3.35Å; P167-Q171 PolarHBondContact O-N 3.3Å
168	Q	92	Very high	93.3	Very high	146 Å²	146	51.3 Å²	51.3	68%	0.682	27%	0.271	S	S	*	.	H	α-helix	trans	-68.7	-41.7	176.7	-62.9	-176.6	7.8	0	0	111	Y166 A170 Q171	Y166-Q168 VanDerWaalsContact C-N 3.26Å; Y166-Q168 PolarHBondContact O-N 3.39Å; Q168-A170 VanDerWaalsContact C-N 3.33Å; Q168-Q171 PolarHBondContact O-N 3.31Å
169	E	91.7	Very high	93.3	Very high	23 Å²	23	51.2 Å²	51.2	11%	0.107	27%	0.271	C	S	.	.	H	α-helix	trans	-66.5	-38.1	173.4	-71.3	74.2	-176.4	0	0	111	M114 F129 L161 Y166 Q171 R172	M114-E169 HydrophobicContact CG-CG 3.73Å; M114-E169 HydrophobicContact SD-CG 4.43Å; F129-E169 HydrophobicContact CE1-CB 4.18Å; L161-E169 HydrophobicContact CD1-CG 4.48Å; L161-E169 HydrophobicContact CD2-CB 4.43Å; Y166-E169 WeakPolarHBondContact CB-OE2 3.24Å; Y166-E169 PolarHBondContact O-N 3.48Å; E169-Q171 VanDerWaalsContact C-N 3.28Å; E169-Q171 PolarHBondContact O-N 2.84Å; E169-R172 WeakPolarHBondContact O-CB 3.41Å; E169-R172 PolarHBondContact O-N 3.29Å; E169-R172 VanDerWaalsContact O-N 3.11Å
170	A	91.3	Very high	93.3	Very high	32 Å²	32	51.4 Å²	51.4	26%	0.264	27%	0.271	S	S	.	.	H	α-helix	trans	-58.2	-37	177.1	0	0	0	0	0	112.9	V163 Y166 P167 Q168 R172 L173	V163-A170 HydrophobicContact CB-CB 3.87Å; Y166-A170 PolarHBondContact O-N 2.93Å; P167-A170 WeakPolarHBondContact O-CB 3.45Å; P167-A170 PolarHBondContact O-N 2.92Å; Q168-A170 VanDerWaalsContact C-N 3.33Å; A170-R172 PolarHBondContact O-N 3.29Å; A170-L173 PolarHBondContact O-N 3.5Å; A170-L173 VanDerWaalsContact O-N 3.09Å
171	Q	91.6	Very high	93.4	Very high	169 Å²	169	51.2 Å²	51.2	79%	0.79	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-21.7	178.7	-70.4	173.5	12	0	0	113.5	P167 Q168 E169 L173	P167-Q171 WeakPolarHBondContact O-CG 3.35Å; P167-Q171 PolarHBondContact O-N 3.3Å; Q168-Q171 PolarHBondContact O-N 3.31Å; E169-Q171 VanDerWaalsContact C-N 3.28Å; E169-Q171 PolarHBondContact O-N 2.84Å; Q171-L173 VanDerWaalsContact C-N 3.3Å
172	R	89.3	Confident	93.5	Very high	139 Å²	139	51.5 Å²	51.5	53%	0.525	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	0	179.5	-58.5	176.3	60.5	-156.5	-7	112.9	E169 A170 E187 R190	E169-R172 WeakPolarHBondContact O-CB 3.41Å; E169-R172 PolarHBondContact O-N 3.29Å; E169-R172 VanDerWaalsContact O-N 3.11Å; A170-R172 PolarHBondContact O-N 3.29Å; R172-E187 IonicContact NH2-OE2 2.69Å; R172-R190 PolarHBondContact O-NH1 3.47Å; R172-R190 VanDerWaalsContact O-NH1 3.09Å; R172-R190 PolarHBondContact O-NH2 2.92Å
173	L	92	Very high	93.6	Very high	25 Å²	25	54.3 Å²	54.3	13%	0.131	28%	0.28	C	S	.	.			trans	-115	134.6	-175.5	-53.6	174	0	0	0	109.5	F129 V163 A170 Q171 L176 T178 I180	F129-L173 HydrophobicContact CB-CD1 3.5Å; F129-L173 VanDerWaalsContact CB-CD1 3.5Å; F129-L173 HydrophobicContact CD1-CD1 3.6Å; F129-L173 HydrophobicContact CD1-CD2 4.41Å; F129-L173 HydrophobicContact CD1-CG 4.5Å; F129-L173 HydrophobicContact CG-CD1 3.73Å; F129-L173 HydrophobicContact CG-CD2 4.27Å; V163-L173 HydrophobicContact CG1-CD1 3.6Å; A170-L173 PolarHBondContact O-N 3.5Å; A170-L173 VanDerWaalsContact O-N 3.09Å; Q171-L173 VanDerWaalsContact C-N 3.3Å; L173-L176 HydrophobicContact CD1-CD2 4.3Å; L173-T178 HydrophobicContact CD2-CG2 3.77Å; L173-I180 HydrophobicContact CD2-CD1 4.4Å
174	T	89	Confident	93.6	Very high	94 Å²	94	58.3 Å²	58.3	58%	0.577	30%	0.301	S	S	*	.	S	Bend	trans	-93.8	-25.9	179.5	-41.2	0	0	0	0	112	V200	T174-V200 VanDerWaalsContact CB-CG2 3.42Å; T174-V200 HydrophobicContact CG2-CG2 3.32Å
175	T	93.7	Very high	93.7	Very high	59 Å²	59	55.9 Å²	55.9	36%	0.362	28%	0.276	S	S	.	.	S	Bend	trans	-152.4	169.8	179.9	-170.3	0	0	0	0	112.1	T178 P192 V200	T175-T178 PolarHBondContact O-OG1 3.48Å; T175-P192 HydrophobicContact CG2-CG 3.23Å; T175-V200 HydrophobicContact CG2-CB 4.47Å; T175-V200 HydrophobicContact CG2-CG1 3.73Å; T175-V200 HydrophobicContact CG2-CG2 4.3Å
176	L	95.1	Very high	93.9	Very high	30 Å²	30	56.5 Å²	56.5	16%	0.157	28%	0.283	C	S	.	.	S	Bend	trans	-127.9	147	178.6	-62.4	173.3	0	0	0	111.8	F129 A131 W133 V163 L173	F129-L176 WeakPolarHBondContact O-CD2 3.39Å; A131-L176 HydrophobicContact CB-CD1 3.64Å; W133-L176 HydrophobicContact CH2-CD1 3.88Å; W133-L176 HydrophobicContact CZ2-CD1 4.02Å; V163-L176 HydrophobicContact CG1-CD2 3.94Å; V163-L176 HydrophobicContact CG2-CD1 3.8Å; V163-L176 HydrophobicContact CG2-CD2 4.13Å; L173-L176 HydrophobicContact CD1-CD2 4.3Å
177	P	96.9	Very high	94	Very high	1 Å²	1	59.4 Å²	59.4	1%	0.006	30%	0.297	C	S	.	.	S	Bend	cis	-66.4	154.1	-11.7	26	-28.8	0	0	0	110.8	E128 F129 F140 F205	E128-P177 HydrophobicContact CG-CB 4.06Å; F129-P177 WeakPolarHBondContact O-CA 3.24Å; F140-P177 HydrophobicContact CB-CG 4.17Å; F140-P177 HydrophobicContact CD1-CB 4.16Å; F140-P177 HydrophobicContact CD1-CG 3.95Å; F140-P177 HydrophobicContact CG-CG 4.29Å; P177-F205 HydrophobicContact CB-CZ 4.41Å; P177-F205 HydrophobicContact CG-CD1 4.28Å; P177-F205 HydrophobicContact CG-CD2 3.89Å; P177-F205 HydrophobicContact CG-CE1 4.07Å; P177-F205 HydrophobicContact CG-CE2 3.64Å; P177-F205 HydrophobicContact CG-CG 4.21Å; P177-F205 HydrophobicContact CG-CZ 3.74Å; P177-F205 WeakPolarHBondContact O-CZ 3.42Å
178	T	97.2	Very high	94.3	Very high	4 Å²	4	59.2 Å²	59.2	3%	0.025	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	126	165	-70.2	0	0	0	0	107.7	F129 L173 T175 I180 V191	F129-T178 WeakPolarHBondContact CB-O 3.26Å; F129-T178 PolarHBondContact N-O 3.02Å; F129-T178 PolarHBondContact O-N 3.27Å; F129-T178 VanDerWaalsContact O-N 3.1Å; L173-T178 HydrophobicContact CD2-CG2 3.77Å; T175-T178 PolarHBondContact O-OG1 3.48Å; T178-I180 HydrophobicContact CG2-CD1 4.1Å; T178-I180 HydrophobicContact CG2-CG1 3.8Å; T178-V191 CarbonylContact C-O 3.54Å; T178-V191 WeakPolarHBondContact CA-O 3.42Å
179	V	97.9	Very high	94.5	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	131	177.3	-176.2	0	0	0	0	108.6	L126 I127 E128 F140 F144 R190 V191 F205 F214	L126-V179 HydrophobicContact CD1-CG1 3.69Å; L126-V179 HydrophobicContact CD2-CG1 4.26Å; L126-V179 HydrophobicContact CG-CG1 3.79Å; I127-V179 CarbonylContact O-C 3.47Å; I127-V179 VanDerWaalsContact O-CA 3.31Å; I127-V179 WeakPolarHBondContact O-CA 3.4Å; E128-V179 HydrophobicContact CB-CG2 4.43Å; E128-V179 HydrophobicContact CG-CG2 4.35Å; F140-V179 HydrophobicContact CE1-CG2 3.51Å; F140-V179 HydrophobicContact CZ-CG2 3.87Å; F144-V179 HydrophobicContact CE2-CG1 4.42Å; V179-R190 CarbonylContact O-C 3.51Å; V179-R190 WeakPolarHBondContact O-CA 3.22Å; V179-V191 HydrophobicContact CB-CG2 4.06Å; V179-V191 PolarHBondContact N-O 2.94Å; V179-V191 PolarHBondContact O-N 2.87Å; V179-F205 HydrophobicContact CG2-CD1 4.48Å; V179-F205 HydrophobicContact CG2-CE1 3.84Å; V179-F214 HydrophobicContact CB-CE2 4.01Å; V179-F214 HydrophobicContact CB-CZ 3.9Å; V179-F214 HydrophobicContact CG1-CE2 3.68Å; V179-F214 HydrophobicContact CG1-CZ 3.62Å; V179-F214 WeakPolarHBondContact O-CZ 3.24Å
180	I	97.5	Very high	94.7	Very high	3 Å²	3	58.3 Å²	58.3	2%	0.015	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	129.9	-177.6	-46.7	-170.2	0	0	0	109.5	I127 F129 L173 T178 F182 E187 K189 R190	I127-I180 PolarHBondContact N-O 3.18Å; I127-I180 PolarHBondContact O-N 2.86Å; F129-I180 HydrophobicContact CD2-CD1 3.94Å; F129-I180 HydrophobicContact CD2-CG1 3.93Å; F129-I180 HydrophobicContact CE2-CB 4.13Å; F129-I180 HydrophobicContact CE2-CD1 3.45Å; F129-I180 VanDerWaalsContact CE2-CD1 3.45Å; F129-I180 HydrophobicContact CE2-CG1 3.68Å; F129-I180 HydrophobicContact CZ-CD1 4.09Å; L173-I180 HydrophobicContact CD2-CD1 4.4Å; T178-I180 HydrophobicContact CG2-CD1 4.1Å; T178-I180 HydrophobicContact CG2-CG1 3.8Å; I180-F182 HydrophobicContact CB-CD2 4.37Å; I180-F182 HydrophobicContact CB-CE2 3.64Å; I180-F182 HydrophobicContact CB-CZ 4.02Å; I180-F182 HydrophobicContact CD1-CZ 4.45Å; I180-F182 HydrophobicContact CG2-CD2 4.11Å; I180-F182 HydrophobicContact CG2-CE1 4.18Å; I180-F182 HydrophobicContact CG2-CE2 3.53Å; I180-F182 HydrophobicContact CG2-CZ 3.57Å; I180-E187 HydrophobicContact CG2-CB 4.31Å; I180-E187 HydrophobicContact CG2-CG 3.51Å; I180-K189 CarbonylContact C-O 3.49Å; I180-K189 WeakPolarHBondContact CA-O 3.45Å; I180-K189 WeakPolarHBondContact CG2-O 3.29Å; I180-R190 VanDerWaalsContact CD1-NH2 3.31Å; I180-R190 HydrophobicContact CG1-CB 4.13Å; I180-R190 HydrophobicContact CG2-CB 4.37Å
181	L	98	Very high	95	Very high	2 Å²	2	57 Å²	57	1%	0.01	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	122.4	171.3	-177.4	73.8	0	0	0	109.3	V124 W125 L126 V188 K189 F214	V124-L181 HydrophobicContact CG1-CD1 3.57Å; V124-L181 HydrophobicContact CG1-CG 4.42Å; W125-L181 CarbonylContact O-C 3.58Å; W125-L181 WeakPolarHBondContact O-CA 3.35Å; L126-L181 HydrophobicContact CB-CD1 4.43Å; L126-L181 HydrophobicContact CD1-CB 4.03Å; L126-L181 HydrophobicContact CD1-CD1 3.94Å; L181-V188 HydrophobicContact CD2-CB 4.48Å; L181-V188 HydrophobicContact CD2-CG1 4.46Å; L181-V188 PolarHBondContact O-N 2.85Å; L181-K189 HydrophobicContact CB-CB 4.5Å; L181-K189 PolarHBondContact N-O 3.47Å; L181-K189 PolarHBondContact O-N 3.26Å; L181-F214 HydrophobicContact CB-CD1 3.57Å; L181-F214 HydrophobicContact CB-CE1 3.71Å; L181-F214 HydrophobicContact CD2-CD1 4.28Å; L181-F214 HydrophobicContact CG-CD1 4.42Å
182	F	97.6	Very high	95.2	Very high	6 Å²	6	49.5 Å²	49.5	3%	0.026	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	136.5	171.4	-58.9	-95.2	0	0	0	110.3	M114 I117 V124 W125 I127 F129 I180 K186 E187	M114-F182 HydrophobicContact CE-CE1 3.63Å; M114-F182 HydrophobicContact CE-CZ 3.71Å; M114-F182 HydrophobicContact SD-CZ 4.35Å; I117-F182 HydrophobicContact CG2-CB 3.85Å; I117-F182 HydrophobicContact CG2-CD1 3.93Å; I117-F182 HydrophobicContact CG2-CD2 4.15Å; I117-F182 HydrophobicContact CG2-CG 3.71Å; V124-F182 CarbonylContact C-O 3.54Å; V124-F182 WeakPolarHBondContact CA-O 3.27Å; W125-F182 HydrophobicContact CB-CB 4.15Å; W125-F182 PolarHBondContact N-O 2.81Å; W125-F182 PolarHBondContact O-N 3.47Å; I127-F182 HydrophobicContact CB-CD2 4.5Å; I127-F182 HydrophobicContact CB-CE2 4.19Å; I127-F182 HydrophobicContact CD1-CD2 3.72Å; I127-F182 HydrophobicContact CD1-CE2 3.76Å; I127-F182 HydrophobicContact CG1-CD2 4.08Å; I127-F182 HydrophobicContact CG1-CE2 4.19Å; F129-F182 HydrophobicContact CE2-CE2 4.46Å; I180-F182 HydrophobicContact CB-CD2 4.37Å; I180-F182 HydrophobicContact CB-CE2 3.64Å; I180-F182 HydrophobicContact CB-CZ 4.02Å; I180-F182 HydrophobicContact CD1-CZ 4.45Å; I180-F182 HydrophobicContact CG2-CD2 4.11Å; I180-F182 HydrophobicContact CG2-CE1 4.18Å; I180-F182 HydrophobicContact CG2-CE2 3.53Å; I180-F182 HydrophobicContact CG2-CZ 3.57Å; F182-K186 CarbonylContact C-O 3.58Å; F182-K186 WeakPolarHBondContact CA-O 3.44Å; F182-E187 HydrophobicContact CD1-CB 4.12Å; F182-E187 HydrophobicContact CE1-CB 3.89Å
183	R	95.9	Very high	95.4	Very high	93 Å²	93	46.4 Å²	46.4	35%	0.351	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	133.9	168.9	-60.5	-172	-172.2	175.2	8	108.7	V124 G185 K186 V188	V124-R183 HydrophobicContact CG1-CG 4Å; V124-R183 HydrophobicContact CG2-CG 4Å; R183-G185 PolarHBondContact O-N 2.87Å; R183-G185 VanDerWaalsContact O-N 3.12Å; R183-K186 PolarHBondContact N-O 2.72Å; R183-K186 PolarHBondContact O-N 2.86Å; R183-V188 HydrophobicContact CB-CG2 3.71Å; R183-V188 HydrophobicContact CG-CG2 3.71Å
184	D	93.3	Very high	95.4	Very high	97 Å²	97	47.2 Å²	47.2	52%	0.519	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	39.4	-179.7	-60.7	-50	0	0	0	113.4	G122 K186	G122-D184 WeakPolarHBondContact CA-OD1 3.38Å; G122-D184 PolarHBondContact N-OD1 3.44Å; D184-K186 VanDerWaalsContact C-N 3.27Å; D184-K186 PolarHBondContact O-N 2.77Å
185	G	93.3	Very high	95.4	Very high	12 Å²	12	45 Å²	45	12%	0.124	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.9	6.4	-179.4	0	0	0	0	0	115.8	I117 R183	I117-G185 WeakPolarHBondContact O-CA 3.32Å; R183-G185 PolarHBondContact O-N 2.87Å; R183-G185 VanDerWaalsContact O-N 3.12Å
186	K	95.3	Very high	95.3	Very high	157 Å²	157	47.7 Å²	47.7	68%	0.683	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.7	142.5	179.2	-64.9	-179.3	-179.9	179.5	0	111.8	F182 R183 D184 V188	F182-K186 CarbonylContact C-O 3.58Å; F182-K186 WeakPolarHBondContact CA-O 3.44Å; R183-K186 PolarHBondContact N-O 2.72Å; R183-K186 PolarHBondContact O-N 2.86Å; D184-K186 VanDerWaalsContact C-N 3.27Å; D184-K186 PolarHBondContact O-N 2.77Å; K186-V188 PolarHBondContact O-N 2.92Å
187	E	95.4	Very high	95.1	Very high	72 Å²	72	54.9 Å²	54.9	34%	0.336	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	123.4	171.9	176.6	165.4	-178.5	0	0	109.8	R172 I180 F182 R190	R172-E187 IonicContact NH2-OE2 2.69Å; I180-E187 HydrophobicContact CG2-CB 4.31Å; I180-E187 HydrophobicContact CG2-CG 3.51Å; F182-E187 HydrophobicContact CD1-CB 4.12Å; F182-E187 HydrophobicContact CE1-CB 3.89Å; E187-R190 WeakPolarHBondContact OE1-CB 3.47Å; E187-R190 IonicContact OE1-CZ 3.97Å; E187-R190 IonicContact OE1-NE 3.58Å; E187-R190 PolarHBondContact OE1-NE 3.25Å; E187-R190 IonicContact OE1-NH2 3.72Å
188	V	95.9	Very high	94.6	Very high	80 Å²	80	57 Å²	57	49%	0.485	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	-42.8	-179.6	175.4	0	0	0	0	111.1	L181 R183 K186	L181-V188 HydrophobicContact CD2-CB 4.48Å; L181-V188 HydrophobicContact CD2-CG1 4.46Å; L181-V188 PolarHBondContact O-N 2.85Å; R183-V188 HydrophobicContact CB-CG2 3.71Å; R183-V188 HydrophobicContact CG-CG2 3.71Å; K186-V188 PolarHBondContact O-N 2.92Å
189	K	96.6	Very high	94.3	Very high	85 Å²	85	64.4 Å²	64.4	37%	0.37	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	145.3	-177.3	-170.2	163.2	-175.8	169.7	0	110.5	I180 L181 D213 F214	I180-K189 CarbonylContact C-O 3.49Å; I180-K189 WeakPolarHBondContact CA-O 3.45Å; I180-K189 WeakPolarHBondContact CG2-O 3.29Å; L181-K189 HydrophobicContact CB-CB 4.5Å; L181-K189 PolarHBondContact N-O 3.47Å; L181-K189 PolarHBondContact O-N 3.26Å; K189-D213 VanDerWaalsContact CD-O 3.27Å; K189-D213 WeakPolarHBondContact CD-O 3.47Å; K189-D213 WeakPolarHBondContact CE-O 3.43Å; K189-D213 PolarHBondContact NZ-O 2.84Å; K189-F214 HydrophobicContact CB-CD1 4.29Å; K189-F214 HydrophobicContact CB-CE1 4.15Å; K189-F214 HydrophobicContact CG-CD1 4.41Å; K189-F214 HydrophobicContact CG-CE1 4.21Å
190	R	96.3	Very high	93.9	Very high	65 Å²	65	66.7 Å²	66.7	25%	0.245	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	142.5	176.3	105.7	-168.8	-41.5	-134.7	-3.6	110.3	R172 V179 I180 E187	R172-R190 PolarHBondContact O-NH1 3.47Å; R172-R190 VanDerWaalsContact O-NH1 3.09Å; R172-R190 PolarHBondContact O-NH2 2.92Å; V179-R190 CarbonylContact O-C 3.51Å; V179-R190 WeakPolarHBondContact O-CA 3.22Å; I180-R190 VanDerWaalsContact CD1-NH2 3.31Å; I180-R190 HydrophobicContact CG1-CB 4.13Å; I180-R190 HydrophobicContact CG2-CB 4.37Å; E187-R190 WeakPolarHBondContact OE1-CB 3.47Å; E187-R190 IonicContact OE1-CZ 3.97Å; E187-R190 IonicContact OE1-NE 3.58Å; E187-R190 PolarHBondContact OE1-NE 3.25Å; E187-R190 IonicContact OE1-NH2 3.72Å
191	V	96.4	Very high	93.7	Very high	4 Å²	4	71.1 Å²	71.1	2%	0.024	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	142	168.7	-55.6	0	0	0	0	109.7	T178 V179 Y203 F205 F214	T178-V191 CarbonylContact C-O 3.54Å; T178-V191 WeakPolarHBondContact CA-O 3.42Å; V179-V191 HydrophobicContact CB-CG2 4.06Å; V179-V191 PolarHBondContact N-O 2.94Å; V179-V191 PolarHBondContact O-N 2.87Å; V191-Y203 HydrophobicContact CB-CD2 4.26Å; V191-Y203 HydrophobicContact CB-CE1 4.36Å; V191-Y203 HydrophobicContact CB-CE2 4.08Å; V191-Y203 HydrophobicContact CB-CG 4.47Å; V191-Y203 HydrophobicContact CG1-CE2 4.12Å; V191-Y203 HydrophobicContact CG2-CD1 4.31Å; V191-Y203 HydrophobicContact CG2-CE1 3.89Å; V191-Y203 HydrophobicContact CG2-CE2 4.41Å; V191-F205 HydrophobicContact CG2-CE1 4.12Å; V191-F214 HydrophobicContact CB-CE2 4.49Å; V191-F214 HydrophobicContact CB-CZ 4.36Å; V191-F214 HydrophobicContact CG1-CE2 4.22Å; V191-F214 HydrophobicContact CG1-CZ 4.08Å; V191-F214 HydrophobicContact CG2-CE2 3.51Å; V191-F214 HydrophobicContact CG2-CZ 3.63Å
192	P	96	Very high	93.4	Very high	11 Å²	11	77.3 Å²	77.3	7%	0.071	41%	0.406	C	S	.	.	S	Bend	cis	-69.2	157.9	-4.1	29.7	-33.9	0	0	0	112.6	T175 V200 L201	T175-P192 HydrophobicContact CG2-CG 3.23Å; P192-V200 HydrophobicContact CB-CG1 3.48Å; P192-V200 VanDerWaalsContact CB-CG1 3.48Å; P192-V200 HydrophobicContact CG-CG1 3.37Å; P192-L201 WeakPolarHBondContact CB-O 3.31Å
193	V	93.6	Very high	93.3	Very high	75 Å²	75	79.5 Å²	79.5	46%	0.455	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-86.3	137.7	177.6	179.3	0	0	0	0	109.1	L201	V193-L201 PolarHBondContact O-N 3.32Å
194	A	91.4	Very high	93.2	Very high	42 Å²	42	81.4 Å²	81.4	35%	0.347	43%	0.427	S	S	.	.	B	Isolated β-bridge	trans	-92.4	137.3	168.4	0	0	0	0	0	109.6	R199	A194-R199 CarbonylContact C-O 3.5Å; A194-R199 WeakPolarHBondContact CA-O 3.2Å
195	D	89.8	Confident	93.4	Very high	48 Å²	48	78.4 Å²	78.4	26%	0.257	41%	0.409	S	S	.	.			trans	-69.5	175.2	172.6	74.4	8.8	0	0	0	111.6	Y197 G198 R199	D195-Y197 PolarHBondContact O-N 2.83Å; D195-Y197 VanDerWaalsContact OD1-CA 3.24Å; D195-Y197 WeakPolarHBondContact OD1-CA 3.33Å; D195-Y197 WeakPolarHBondContact OD1-CB 3.33Å; D195-Y197 PolarHBondContact OD1-N 2.9Å; D195-G198 PolarHBondContact O-N 3.17Å; D195-G198 PolarHBondContact OD1-N 3.49Å; D195-R199 PolarHBondContact N-O 2.99Å; D195-R199 PolarHBondContact OD1-N 3.01Å; D195-R199 WeakPolarHBondContact OD2-CB 3.22Å; D195-R199 WeakPolarHBondContact OD2-CD 3.48Å; D195-R199 WeakPolarHBondContact OD2-CG 3.36Å; D195-R199 IonicContact OD2-NE 2.65Å
196	S	90.9	Very high	93.6	Very high	115 Å²	115	79.4 Å²	79.4	80%	0.804	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-18.7	177.3	53.9	0	0	0	0	113.8
197	Y	91.7	Very high	93.7	Very high	180 Å²	180	74.1 Å²	74.1	71%	0.706	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	4	176.4	-57.3	-75.9	0	0	0	112.5	D195 R199	D195-Y197 PolarHBondContact O-N 2.83Å; D195-Y197 VanDerWaalsContact OD1-CA 3.24Å; D195-Y197 WeakPolarHBondContact OD1-CA 3.33Å; D195-Y197 WeakPolarHBondContact OD1-CB 3.33Å; D195-Y197 PolarHBondContact OD1-N 2.9Å; Y197-R199 VanDerWaalsContact C-N 3.32Å; Y197-R199 PolarHBondContact O-N 2.94Å
198	G	86.6	Confident	93.8	Very high	45 Å²	45	76.7 Å²	76.7	46%	0.464	40%	0.403	S	S	.	.	S	Bend	trans	78	8.5	-178.5	0	0	0	0	0	115.1	D195	D195-G198 PolarHBondContact O-N 3.17Å; D195-G198 PolarHBondContact OD1-N 3.49Å
199	R	91	Very high	93.9	Very high	161 Å²	161	74.7 Å²	74.7	61%	0.608	39%	0.389	S	S	*	.	P	Polyproline II helix	trans	-81.6	132.8	175.5	-43.1	176	-151.9	-169	6.5	109.3	A194 D195 Y197	A194-R199 CarbonylContact C-O 3.5Å; A194-R199 WeakPolarHBondContact CA-O 3.2Å; D195-R199 PolarHBondContact N-O 2.99Å; D195-R199 PolarHBondContact OD1-N 3.01Å; D195-R199 WeakPolarHBondContact OD2-CB 3.22Å; D195-R199 WeakPolarHBondContact OD2-CD 3.48Å; D195-R199 WeakPolarHBondContact OD2-CG 3.36Å; D195-R199 IonicContact OD2-NE 2.65Å; Y197-R199 VanDerWaalsContact C-N 3.32Å; Y197-R199 PolarHBondContact O-N 2.94Å
200	V	89.9	Confident	94	Very high	47 Å²	47	70.6 Å²	70.6	29%	0.285	37%	0.372	S	S	.	.	B	Isolated β-bridge	trans	-82.6	126.4	179.3	-174.9	0	0	0	0	109.9	T174 T175 P192	T174-V200 VanDerWaalsContact CB-CG2 3.42Å; T174-V200 HydrophobicContact CG2-CG2 3.32Å; T175-V200 HydrophobicContact CG2-CB 4.47Å; T175-V200 HydrophobicContact CG2-CG1 3.73Å; T175-V200 HydrophobicContact CG2-CG2 4.3Å; P192-V200 HydrophobicContact CB-CG1 3.48Å; P192-V200 VanDerWaalsContact CB-CG1 3.48Å; P192-V200 HydrophobicContact CG-CG1 3.37Å
201	L	91.8	Very high	94	Very high	97 Å²	97	68.7 Å²	68.7	51%	0.508	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-70.4	133.2	171.8	-63.3	178	0	0	0	109.5	P192 V193 Y203	P192-L201 WeakPolarHBondContact CB-O 3.31Å; V193-L201 PolarHBondContact O-N 3.32Å; L201-Y203 PolarHBondContact O-N 3.42Å
202	P	91.8	Very high	94.1	Very high	131 Å²	131	75.8 Å²	75.8	85%	0.851	39%	0.392	S	S	*	.	P	Polyproline II helix	trans	-59.5	135.1	178.5	25.6	-33.6	0	0	0	110
203	Y	95.4	Very high	94.2	Very high	53 Å²	53	76.6 Å²	76.6	21%	0.208	40%	0.396	C	S	.	.			trans	-130	128.9	-178.6	-170.4	-94.7	0	0	0	110.5	V191 L201 F205 N209 V210 D213	V191-Y203 HydrophobicContact CB-CD2 4.26Å; V191-Y203 HydrophobicContact CB-CE1 4.36Å; V191-Y203 HydrophobicContact CB-CE2 4.08Å; V191-Y203 HydrophobicContact CB-CG 4.47Å; V191-Y203 HydrophobicContact CG1-CE2 4.12Å; V191-Y203 HydrophobicContact CG2-CD1 4.31Å; V191-Y203 HydrophobicContact CG2-CE1 3.89Å; V191-Y203 HydrophobicContact CG2-CE2 4.41Å; L201-Y203 PolarHBondContact O-N 3.42Å; Y203-F205 AromaticContact CD1-CD1 3.75Å; Y203-F205 HydrophobicContact CD1-CD1 3.75Å; Y203-F205 AromaticContact CD1-CD2 3.86Å; Y203-F205 HydrophobicContact CD1-CD2 3.86Å; Y203-F205 AromaticContact CD1-CE1 3.67Å; Y203-F205 HydrophobicContact CD1-CE1 3.67Å; Y203-F205 AromaticContact CD1-CE2 3.79Å; Y203-F205 HydrophobicContact CD1-CE2 3.79Å; Y203-F205 AromaticContact CD1-CG 3.84Å; Y203-F205 HydrophobicContact CD1-CG 3.84Å; Y203-F205 AromaticContact CD1-CZ 3.69Å; Y203-F205 HydrophobicContact CD1-CZ 3.69Å; Y203-F205 AromaticContact CE1-CD1 3.71Å; Y203-F205 HydrophobicContact CE1-CD1 3.71Å; Y203-F205 AromaticContact CE1-CE1 3.82Å; Y203-F205 HydrophobicContact CE1-CE1 3.82Å; Y203-F205 HydrophobicContact CE1-CG 4.11Å; Y203-F205 HydrophobicContact CE1-CZ 4.32Å; Y203-N209 VanDerWaalsContact OH-C 3.26Å; Y203-N209 PolarHBondContact OH-O 3.21Å; Y203-V210 HydrophobicContact CE1-CG2 4.49Å; Y203-D213 WeakPolarHBondContact CE2-OD2 3.43Å; Y203-D213 VanDerWaalsContact CZ-OD2 3.3Å; Y203-D213 PolarHBondContact OH-OD2 3.19Å
204	H	95.7	Very high	94.4	Very high	132 Å²	132	73.2 Å²	73.2	61%	0.611	38%	0.375	S	S	*	.			trans	-97	108.7	178.2	-166.4	-90.9	0	0	0	109.9	T206 N209	H204-T206 VanDerWaalsContact C-N 3.3Å; H204-T206 WeakPolarHBondContact CE1-CG2 3.31Å; H204-T206 WeakPolarHBondContact ND1-CG2 2.99Å; H204-T206 PolarHBondContact O-N 2.75Å; H204-N209 PolarHBondContact O-ND2 2.84Å
205	F	96.9	Very high	94.7	Very high	34 Å²	34	74.7 Å²	74.7	15%	0.149	38%	0.377	C	S	.	.			trans	-77.2	71.3	-176.4	-74.4	-81.7	0	0	0	112.5	F140 I143 P177 V179 V191 Y203 V210	F140-F205 HydrophobicContact CB-CB 4.35Å; F140-F205 HydrophobicContact CD1-CD1 4.31Å; F140-F205 HydrophobicContact CD2-CB 3.59Å; F140-F205 HydrophobicContact CD2-CD1 4Å; F140-F205 HydrophobicContact CD2-CG 4.13Å; F140-F205 HydrophobicContact CE1-CD1 4.23Å; F140-F205 HydrophobicContact CE2-CB 4.1Å; F140-F205 AromaticContact CE2-CD1 3.91Å; F140-F205 HydrophobicContact CE2-CD1 3.91Å; F140-F205 HydrophobicContact CE2-CG 4.45Å; F140-F205 HydrophobicContact CG-CB 4.06Å; F140-F205 HydrophobicContact CG-CD1 4.19Å; F140-F205 HydrophobicContact CG-CG 4.28Å; F140-F205 HydrophobicContact CZ-CD1 4.02Å; I143-F205 WeakPolarHBondContact CD1-O 3Å; P177-F205 HydrophobicContact CB-CZ 4.41Å; P177-F205 HydrophobicContact CG-CD1 4.28Å; P177-F205 HydrophobicContact CG-CD2 3.89Å; P177-F205 HydrophobicContact CG-CE1 4.07Å; P177-F205 HydrophobicContact CG-CE2 3.64Å; P177-F205 HydrophobicContact CG-CG 4.21Å; P177-F205 HydrophobicContact CG-CZ 3.74Å; P177-F205 WeakPolarHBondContact O-CZ 3.42Å; V179-F205 HydrophobicContact CG2-CD1 4.48Å; V179-F205 HydrophobicContact CG2-CE1 3.84Å; V191-F205 HydrophobicContact CG2-CE1 4.12Å; Y203-F205 AromaticContact CD1-CD1 3.75Å; Y203-F205 HydrophobicContact CD1-CD1 3.75Å; Y203-F205 AromaticContact CD1-CD2 3.86Å; Y203-F205 HydrophobicContact CD1-CD2 3.86Å; Y203-F205 AromaticContact CD1-CE1 3.67Å; Y203-F205 HydrophobicContact CD1-CE1 3.67Å; Y203-F205 AromaticContact CD1-CE2 3.79Å; Y203-F205 HydrophobicContact CD1-CE2 3.79Å; Y203-F205 AromaticContact CD1-CG 3.84Å; Y203-F205 HydrophobicContact CD1-CG 3.84Å; Y203-F205 AromaticContact CD1-CZ 3.69Å; Y203-F205 HydrophobicContact CD1-CZ 3.69Å; Y203-F205 AromaticContact CE1-CD1 3.71Å; Y203-F205 HydrophobicContact CE1-CD1 3.71Å; Y203-F205 AromaticContact CE1-CE1 3.82Å; Y203-F205 HydrophobicContact CE1-CE1 3.82Å; Y203-F205 HydrophobicContact CE1-CG 4.11Å; Y203-F205 HydrophobicContact CE1-CZ 4.32Å; F205-V210 HydrophobicContact CD1-CG2 4.45Å
206	T	97.3	Very high	95	Very high	34 Å²	34	72.4 Å²	72.4	21%	0.209	37%	0.365	C	S	.	.			trans	-98.2	161.6	167.1	52.1	0	0	0	0	111.8	H204 E208 N209 V210	H204-T206 VanDerWaalsContact C-N 3.3Å; H204-T206 WeakPolarHBondContact CE1-CG2 3.31Å; H204-T206 WeakPolarHBondContact ND1-CG2 2.99Å; H204-T206 PolarHBondContact O-N 2.75Å; T206-E208 VanDerWaalsContact C-N 3.29Å; T206-E208 WeakPolarHBondContact CB-OE2 3.33Å; T206-E208 PolarHBondContact O-N 2.96Å; T206-N209 PolarHBondContact O-N 3.35Å; T206-N209 PolarHBondContact OG1-ND2 3.36Å; T206-V210 WeakPolarHBondContact O-CG2 3.14Å; T206-V210 PolarHBondContact O-N 3.1Å; T206-V210 VanDerWaalsContact O-N 3.1Å
207	E	97.3	Very high	95.4	Very high	46 Å²	46	70.9 Å²	70.9	22%	0.215	35%	0.348	C	S	.	.	H	α-helix	trans	-54.6	-47.4	176.6	-164.9	-172.3	147.6	0	0	111.1	I143 L147 K150 N209 V210 I211	I143-E207 HydrophobicContact CG2-CB 4.05Å; L147-E207 HydrophobicContact CD2-CG 3.58Å; L147-E207 HydrophobicContact CG-CG 4.12Å; K150-E207 IonicContact NZ-OE1 3.81Å; K150-E207 PolarHBondContact NZ-OE1 3.44Å; K150-E207 IonicContact NZ-OE2 3.86Å; K150-E207 PolarHBondContact NZ-OE2 3.38Å; E207-N209 PolarHBondContact O-N 3.48Å; E207-V210 PolarHBondContact O-N 2.87Å; E207-I211 HydrophobicContact CG-CD1 3.76Å; E207-I211 HydrophobicContact CG-CG1 4.49Å; E207-I211 WeakPolarHBondContact O-CB 3.43Å; E207-I211 VanDerWaalsContact O-CG1 3.25Å; E207-I211 WeakPolarHBondContact O-CG1 3.42Å; E207-I211 PolarHBondContact O-N 3.42Å
208	E	97.6	Very high	95.7	Very high	125 Å²	125	66.6 Å²	66.6	58%	0.584	34%	0.337	S	S	*	.	H	α-helix	trans	-65.2	-40.4	-176.2	-57.4	73.1	-156.7	0	0	111.8	T206 R212	T206-E208 VanDerWaalsContact C-N 3.29Å; T206-E208 WeakPolarHBondContact CB-OE2 3.33Å; T206-E208 PolarHBondContact O-N 2.96Å; E208-R212 WeakPolarHBondContact O-CB 3.45Å; E208-R212 PolarHBondContact O-N 3.44Å
209	N	97.9	Very high	96.2	Very high	38 Å²	38	64.7 Å²	64.7	20%	0.203	32%	0.316	C	S	.	.	H	α-helix	trans	-67.2	-43.4	179	-79.2	-19.8	0	0	0	111.3	Y203 H204 T206 E207 R212 D213	Y203-N209 VanDerWaalsContact OH-C 3.26Å; Y203-N209 PolarHBondContact OH-O 3.21Å; H204-N209 PolarHBondContact O-ND2 2.84Å; T206-N209 PolarHBondContact O-N 3.35Å; T206-N209 PolarHBondContact OG1-ND2 3.36Å; E207-N209 PolarHBondContact O-N 3.48Å; N209-R212 PolarHBondContact O-N 3.25Å; N209-R212 PolarHBondContact OD1-NH2 3.1Å; N209-D213 VanDerWaalsContact O-CB 3.28Å; N209-D213 WeakPolarHBondContact O-CB 3.45Å; N209-D213 VanDerWaalsContact O-CG 3.25Å; N209-D213 PolarHBondContact O-N 3.43Å; N209-D213 VanDerWaalsContact O-OD2 3.1Å
210	V	98.1	Very high	96.5	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-65.9	-43.5	177.8	178.3	0	0	0	0	110.5	L126 F140 L147 Y203 F205 T206 E207 R212 F214 L216	L126-V210 HydrophobicContact CD2-CG1 4.48Å; F140-V210 HydrophobicContact CE2-CG2 3.92Å; F140-V210 HydrophobicContact CZ-CG2 4.15Å; L147-V210 HydrophobicContact CD1-CB 3.86Å; L147-V210 HydrophobicContact CD1-CG1 3.53Å; Y203-V210 HydrophobicContact CE1-CG2 4.49Å; F205-V210 HydrophobicContact CD1-CG2 4.45Å; T206-V210 WeakPolarHBondContact O-CG2 3.14Å; T206-V210 PolarHBondContact O-N 3.1Å; T206-V210 VanDerWaalsContact O-N 3.1Å; E207-V210 PolarHBondContact O-N 2.87Å; V210-R212 PolarHBondContact O-N 3.11Å; V210-F214 HydrophobicContact CG1-CD2 3.76Å; V210-F214 HydrophobicContact CG1-CE2 4.19Å; V210-F214 WeakPolarHBondContact O-CB 3.24Å; V210-F214 WeakPolarHBondContact O-CD2 3.31Å; V210-F214 PolarHBondContact O-N 3.04Å; V210-L216 HydrophobicContact CG1-CD1 4.23Å
211	I	98.1	Very high	96.8	Very high	25 Å²	25	62.3 Å²	62.3	13%	0.128	31%	0.309	C	S	.	.	H	α-helix	trans	-59.3	-48.9	175.4	-69.9	168	0	0	0	111	L147 Y151 E207 D215 L216	L147-I211 HydrophobicContact CD2-CD1 3.85Å; L147-I211 HydrophobicContact CD2-CG1 3.61Å; Y151-I211 HydrophobicContact CE2-CD1 4.09Å; Y151-I211 HydrophobicContact CE2-CG1 4.03Å; Y151-I211 WeakPolarHBondContact OH-CD1 3.18Å; E207-I211 HydrophobicContact CG-CD1 3.76Å; E207-I211 HydrophobicContact CG-CG1 4.49Å; E207-I211 WeakPolarHBondContact O-CB 3.43Å; E207-I211 VanDerWaalsContact O-CG1 3.25Å; E207-I211 WeakPolarHBondContact O-CG1 3.42Å; E207-I211 PolarHBondContact O-N 3.42Å; I211-D215 VanDerWaalsContact O-CA 3.29Å; I211-D215 WeakPolarHBondContact O-CA 3.38Å; I211-D215 PolarHBondContact O-N 3.24Å; I211-L216 HydrophobicContact CG1-CD1 4.1Å; I211-L216 HydrophobicContact CG2-CB 4.49Å; I211-L216 PolarHBondContact O-N 3.48Å
212	R	97.7	Very high	97	Very high	152 Å²	152	62.4 Å²	62.4	57%	0.574	31%	0.306	S	S	*	.	H	α-helix	trans	-64.6	-48.5	-178.2	-179.7	176.4	58.4	67.4	10.6	111.7	E208 N209 V210 D215	E208-R212 WeakPolarHBondContact O-CB 3.45Å; E208-R212 PolarHBondContact O-N 3.44Å; N209-R212 PolarHBondContact O-N 3.25Å; N209-R212 PolarHBondContact OD1-NH2 3.1Å; V210-R212 PolarHBondContact O-N 3.11Å; R212-D215 PolarHBondContact O-N 3.23Å
213	D	97.2	Very high	97.2	Very high	28 Å²	28	56.2 Å²	56.2	15%	0.15	27%	0.266	C	S	.	.	H	α-helix	trans	-76.6	-34.5	-172.4	-65.8	-37.6	0	0	0	112.3	K189 Y203 N209 D215	K189-D213 VanDerWaalsContact CD-O 3.27Å; K189-D213 WeakPolarHBondContact CD-O 3.47Å; K189-D213 WeakPolarHBondContact CE-O 3.43Å; K189-D213 PolarHBondContact NZ-O 2.84Å; Y203-D213 WeakPolarHBondContact CE2-OD2 3.43Å; Y203-D213 VanDerWaalsContact CZ-OD2 3.3Å; Y203-D213 PolarHBondContact OH-OD2 3.19Å; N209-D213 VanDerWaalsContact O-CB 3.28Å; N209-D213 WeakPolarHBondContact O-CB 3.45Å; N209-D213 VanDerWaalsContact O-CG 3.25Å; N209-D213 PolarHBondContact O-N 3.43Å; N209-D213 VanDerWaalsContact O-OD2 3.1Å; D213-D215 VanDerWaalsContact C-N 3.3Å
214	F	97.9	Very high	97.2	Very high	4 Å²	4	55 Å²	55	2%	0.018	27%	0.265	C	S	.	.	H	α-helix	trans	-87.5	-1.7	173.4	-70.4	-75.2	0	0	0	114	L126 V179 L181 K189 V191 V210 L216	L126-F214 HydrophobicContact CD1-CB 4.46Å; L126-F214 HydrophobicContact CD1-CD1 3.72Å; L126-F214 HydrophobicContact CD1-CD2 4.08Å; L126-F214 HydrophobicContact CD1-CE1 3.84Å; L126-F214 HydrophobicContact CD1-CE2 4.18Å; L126-F214 HydrophobicContact CD1-CG 3.82Å; L126-F214 HydrophobicContact CD1-CZ 4.06Å; V179-F214 HydrophobicContact CB-CE2 4.01Å; V179-F214 HydrophobicContact CB-CZ 3.9Å; V179-F214 HydrophobicContact CG1-CE2 3.68Å; V179-F214 HydrophobicContact CG1-CZ 3.62Å; V179-F214 WeakPolarHBondContact O-CZ 3.24Å; L181-F214 HydrophobicContact CB-CD1 3.57Å; L181-F214 HydrophobicContact CB-CE1 3.71Å; L181-F214 HydrophobicContact CD2-CD1 4.28Å; L181-F214 HydrophobicContact CG-CD1 4.42Å; K189-F214 HydrophobicContact CB-CD1 4.29Å; K189-F214 HydrophobicContact CB-CE1 4.15Å; K189-F214 HydrophobicContact CG-CD1 4.41Å; K189-F214 HydrophobicContact CG-CE1 4.21Å; V191-F214 HydrophobicContact CB-CE2 4.49Å; V191-F214 HydrophobicContact CB-CZ 4.36Å; V191-F214 HydrophobicContact CG1-CE2 4.22Å; V191-F214 HydrophobicContact CG1-CZ 4.08Å; V191-F214 HydrophobicContact CG2-CE2 3.51Å; V191-F214 HydrophobicContact CG2-CZ 3.63Å; V210-F214 HydrophobicContact CG1-CD2 3.76Å; V210-F214 HydrophobicContact CG1-CE2 4.19Å; V210-F214 WeakPolarHBondContact O-CB 3.24Å; V210-F214 WeakPolarHBondContact O-CD2 3.31Å; V210-F214 PolarHBondContact O-N 3.04Å; F214-L216 HydrophobicContact CB-CD2 3.74Å; F214-L216 HydrophobicContact CB-CG 3.93Å; F214-L216 PolarHBondContact O-N 2.88Å
215	D	97.4	Very high	97.2	Very high	74 Å²	74	57.2 Å²	57.2	40%	0.396	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.8	45.7	-176.1	-167.1	18.6	0	0	0	111.9	I211 R212 D213 N217 N218 V219	I211-D215 VanDerWaalsContact O-CA 3.29Å; I211-D215 WeakPolarHBondContact O-CA 3.38Å; I211-D215 PolarHBondContact O-N 3.24Å; R212-D215 PolarHBondContact O-N 3.23Å; D213-D215 VanDerWaalsContact C-N 3.3Å; D215-N217 PolarHBondContact O-N 2.91Å; D215-N218 PolarHBondContact O-N 3.5Å; D215-N218 VanDerWaalsContact O-N 3.1Å; D215-N218 WeakPolarHBondContact OD1-CB 3.14Å; D215-N218 PolarHBondContact OD1-ND2 3.24Å; D215-N218 VanDerWaalsContact OD2-CB 3.29Å; D215-N218 WeakPolarHBondContact OD2-CB 3.5Å; D215-N218 PolarHBondContact OD2-ND2 2.95Å; D215-V219 WeakPolarHBondContact O-CG2 3.36Å; D215-V219 PolarHBondContact O-N 3.45Å
216	L	97.6	Very high	97	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-60	-34.1	-168.1	-71.1	-176.5	0	0	0	112.7	L126 L147 Y151 V210 I211 F214 V219 Y220	L126-L216 HydrophobicContact CD2-CD1 4.42Å; L126-L216 HydrophobicContact CD2-CD2 4.18Å; L147-L216 HydrophobicContact CD1-CD1 4.49Å; L147-L216 HydrophobicContact CD2-CD1 4.11Å; Y151-L216 HydrophobicContact CD1-CB 4.36Å; Y151-L216 HydrophobicContact CD2-CD1 4.29Å; Y151-L216 HydrophobicContact CE1-CB 4.12Å; Y151-L216 HydrophobicContact CE2-CB 4.4Å; Y151-L216 HydrophobicContact CE2-CD1 4.33Å; V210-L216 HydrophobicContact CG1-CD1 4.23Å; I211-L216 HydrophobicContact CG1-CD1 4.1Å; I211-L216 HydrophobicContact CG2-CB 4.49Å; I211-L216 PolarHBondContact O-N 3.48Å; F214-L216 HydrophobicContact CB-CD2 3.74Å; F214-L216 HydrophobicContact CB-CG 3.93Å; F214-L216 PolarHBondContact O-N 2.88Å; L216-V219 PolarHBondContact O-N 3.41Å; L216-Y220 WeakPolarHBondContact O-CB 3.5Å; L216-Y220 PolarHBondContact O-N 3.45Å
217	N	97.9	Very high	96.7	Very high	83 Å²	83	60.9 Å²	60.9	44%	0.444	28%	0.283	S	S	.	.	H	α-helix	trans	-59.1	-49.1	176	-73.9	-41.4	0	0	0	111.8	Y151 D215 Y220 L221	Y151-N217 PolarHBondContact OH-OD1 2.96Å; D215-N217 PolarHBondContact O-N 2.91Å; N217-Y220 PolarHBondContact O-N 3.3Å; N217-L221 WeakPolarHBondContact O-CB 2.97Å; N217-L221 VanDerWaalsContact O-CG 3.26Å; N217-L221 WeakPolarHBondContact O-CG 3.02Å; N217-L221 PolarHBondContact O-N 3.37Å
218	N	97.9	Very high	96.4	Very high	90 Å²	90	65.5 Å²	65.5	48%	0.481	30%	0.303	S	S	.	.	H	α-helix	trans	-70.7	-37.9	180	-70.7	-26.8	0	0	0	111.7	D215 Y220 L221 H222	D215-N218 PolarHBondContact O-N 3.5Å; D215-N218 VanDerWaalsContact O-N 3.1Å; D215-N218 WeakPolarHBondContact OD1-CB 3.14Å; D215-N218 PolarHBondContact OD1-ND2 3.24Å; D215-N218 VanDerWaalsContact OD2-CB 3.29Å; D215-N218 WeakPolarHBondContact OD2-CB 3.5Å; D215-N218 PolarHBondContact OD2-ND2 2.95Å; N218-Y220 VanDerWaalsContact C-N 3.34Å; N218-Y220 PolarHBondContact O-N 2.84Å; N218-L221 PolarHBondContact O-N 3.46Å; N218-H222 VanDerWaalsContact O-CB 3.31Å; N218-H222 WeakPolarHBondContact O-CB 3.42Å; N218-H222 PolarHBondContact O-N 3.29Å
219	V	97.3	Very high	95.9	Very high	4 Å²	4	61.3 Å²	61.3	2%	0.024	29%	0.293	C	S	.	.	H	α-helix	trans	-57.8	-48.9	173.4	175.9	0	0	0	0	110.7	V124 L156 D215 L216 H222 C223	V124-V219 HydrophobicContact CG1-CG1 3.92Å; L156-V219 HydrophobicContact CD1-CG1 3.91Å; L156-V219 HydrophobicContact CD2-CG1 4.05Å; D215-V219 WeakPolarHBondContact O-CG2 3.36Å; D215-V219 PolarHBondContact O-N 3.45Å; L216-V219 PolarHBondContact O-N 3.41Å; V219-H222 PolarHBondContact O-N 2.9Å; V219-C223 WeakPolarHBondContact O-CB 3.42Å; V219-C223 PolarHBondContact O-N 2.85Å; V219-C223 PolarHBondContact O-SG 3.32Å; V219-C223 VanDerWaalsContact O-SG 3.36Å
220	Y	97.5	Very high	95.2	Very high	75 Å²	75	64.8 Å²	64.8	29%	0.294	31%	0.312	S	S	.	.	H	α-helix	trans	-61.9	-45.5	179.4	179.4	-94.6	0	0	0	112.5	Y151 L153 L156 L216 N217 N218 H222 C223 T224	Y151-Y220 AromaticContact CD1-CD2 3.86Å; Y151-Y220 HydrophobicContact CD1-CD2 3.86Å; Y151-Y220 AromaticContact CD1-CG 3.84Å; Y151-Y220 HydrophobicContact CD1-CG 3.84Å; Y151-Y220 HydrophobicContact CG-CD2 4.49Å; Y151-Y220 VanDerWaalsContact O-CD2 3.32Å; Y151-Y220 WeakPolarHBondContact O-CD2 3.44Å; L153-Y220 HydrophobicContact CD1-CD2 3.67Å; L153-Y220 HydrophobicContact CD1-CE2 3.63Å; L153-Y220 HydrophobicContact CD1-CG 4.41Å; L153-Y220 HydrophobicContact CD2-CE2 3.7Å; L153-Y220 HydrophobicContact CG-CD2 3.99Å; L153-Y220 HydrophobicContact CG-CE2 3.6Å; L156-Y220 HydrophobicContact CD2-CD2 4.2Å; L216-Y220 WeakPolarHBondContact O-CB 3.5Å; L216-Y220 PolarHBondContact O-N 3.45Å; N217-Y220 PolarHBondContact O-N 3.3Å; N218-Y220 VanDerWaalsContact C-N 3.34Å; N218-Y220 PolarHBondContact O-N 2.84Å; Y220-H222 VanDerWaalsContact C-N 3.33Å; Y220-H222 PolarHBondContact O-N 3.49Å; Y220-C223 PolarHBondContact O-N 3.46Å; Y220-T224 VanDerWaalsContact O-CB 3.32Å; Y220-T224 WeakPolarHBondContact O-CB 3.32Å; Y220-T224 PolarHBondContact O-N 2.98Å; Y220-T224 PolarHBondContact O-OG1 2.86Å
221	L	97.1	Very high	94.4	Very high	83 Å²	83	68.6 Å²	68.6	44%	0.435	34%	0.335	S	S	.	.	H	α-helix	trans	-62.3	-41.5	176.5	-71.5	173.6	0	0	0	111.6	N217 N218 T224 R225	N217-L221 WeakPolarHBondContact O-CB 2.97Å; N217-L221 VanDerWaalsContact O-CG 3.26Å; N217-L221 WeakPolarHBondContact O-CG 3.02Å; N217-L221 PolarHBondContact O-N 3.37Å; N218-L221 PolarHBondContact O-N 3.46Å; L221-T224 PolarHBondContact O-N 2.89Å; L221-R225 VanDerWaalsContact O-CG 3.29Å; L221-R225 WeakPolarHBondContact O-CG 3.36Å; L221-R225 PolarHBondContact O-N 3.46Å
222	H	95.9	Very high	93.8	Very high	100 Å²	100	70.6 Å²	70.6	46%	0.463	35%	0.349	S	S	.	.	H	α-helix	trans	-61.9	-51.4	176	-178.2	-83.6	0	0	0	111.4	N218 V219 Y220 T224 R225 Q226	N218-H222 VanDerWaalsContact O-CB 3.31Å; N218-H222 WeakPolarHBondContact O-CB 3.42Å; N218-H222 PolarHBondContact O-N 3.29Å; V219-H222 PolarHBondContact O-N 2.9Å; Y220-H222 VanDerWaalsContact C-N 3.33Å; Y220-H222 PolarHBondContact O-N 3.49Å; H222-T224 VanDerWaalsContact C-N 3.3Å; H222-T224 PolarHBondContact O-N 3.13Å; H222-R225 PolarHBondContact O-N 3.49Å; H222-R225 VanDerWaalsContact O-N 3.16Å; H222-Q226 PolarHBondContact CE1-NE2 2.89Å; H222-Q226 PolarHBondContact CE1-OE1 3.3Å; H222-Q226 PolarHBondContact ND1-OE1 3.37Å; H222-Q226 WeakPolarHBondContact O-CG 3.29Å; H222-Q226 PolarHBondContact O-N 3.37Å
223	C	95.9	Very high	93	Very high	1 Å²	1	68.7 Å²	68.7	1%	0.007	35%	0.35	C	S	.	.	H	α-helix	trans	-59.2	-40.7	177.7	-73.4	0	0	0	0	112.1	L153 N155 L156 V219 Y220 Q226 M227	L153-C223 HydrophobicContact CD1-CB 3.83Å; N155-C223 WeakPolarHBondContact ND2-CA 3.25Å; N155-C223 PolarHBondContact ND2-O 2.95Å; L156-C223 HydrophobicContact CB-CB 4.29Å; V219-C223 WeakPolarHBondContact O-CB 3.42Å; V219-C223 PolarHBondContact O-N 2.85Å; V219-C223 PolarHBondContact O-SG 3.32Å; V219-C223 VanDerWaalsContact O-SG 3.36Å; Y220-C223 PolarHBondContact O-N 3.46Å; C223-Q226 PolarHBondContact O-N 3.02Å; C223-M227 WeakPolarHBondContact O-CG 3.41Å; C223-M227 PolarHBondContact O-N 3.09Å; C223-M227 VanDerWaalsContact O-N 3.15Å
224	T	95.8	Very high	92.3	Very high	28 Å²	28	72.8 Å²	72.8	17%	0.172	37%	0.368	C	S	.	.	H	α-helix	trans	-63.6	-41.4	176.2	-60.8	0	0	0	0	112.1	L153 Y220 L221 H222 M227 K228	L153-T224 WeakPolarHBondContact CD1-OG1 3.43Å; Y220-T224 VanDerWaalsContact O-CB 3.32Å; Y220-T224 WeakPolarHBondContact O-CB 3.32Å; Y220-T224 PolarHBondContact O-N 2.98Å; Y220-T224 PolarHBondContact O-OG1 2.86Å; L221-T224 PolarHBondContact O-N 2.89Å; H222-T224 VanDerWaalsContact C-N 3.3Å; H222-T224 PolarHBondContact O-N 3.13Å; T224-M227 PolarHBondContact O-N 3.18Å; T224-K228 WeakPolarHBondContact O-CG 3.48Å; T224-K228 PolarHBondContact O-N 3.35Å; T224-K228 VanDerWaalsContact O-N 3.1Å
225	R	95	Very high	91.5	Very high	177 Å²	177	80.9 Å²	80.9	67%	0.668	40%	0.403	S	S	*	.	H	α-helix	trans	-65.2	-42.4	177.4	-74.8	171.9	-175	159.9	2.7	111.7	L221 H222 M227 K228 G229	L221-R225 VanDerWaalsContact O-CG 3.29Å; L221-R225 WeakPolarHBondContact O-CG 3.36Å; L221-R225 PolarHBondContact O-N 3.46Å; H222-R225 PolarHBondContact O-N 3.49Å; H222-R225 VanDerWaalsContact O-N 3.16Å; R225-M227 VanDerWaalsContact C-N 3.34Å; R225-M227 PolarHBondContact O-N 3.35Å; R225-K228 PolarHBondContact O-N 2.04Å; R225-G229 PolarHBondContact O-N 3.29Å
226	Q	91.9	Very high	90.8	Very high	84 Å²	84	86.7 Å²	86.7	39%	0.393	42%	0.42	S	S	.	.	H	α-helix	trans	-57.7	-47.8	176.1	-70.7	-177.6	-60.3	0	0	111	H222 C223 K228 G229 D230	H222-Q226 PolarHBondContact CE1-NE2 2.89Å; H222-Q226 PolarHBondContact CE1-OE1 3.3Å; H222-Q226 PolarHBondContact ND1-OE1 3.37Å; H222-Q226 WeakPolarHBondContact O-CG 3.29Å; H222-Q226 PolarHBondContact O-N 3.37Å; C223-Q226 PolarHBondContact O-N 3.02Å; Q226-K228 PolarHBondContact O-N 2.65Å; Q226-G229 PolarHBondContact O-N 3.46Å; Q226-G229 VanDerWaalsContact O-N 3.16Å; Q226-D230 PolarHBondContact O-N 3.42Å
227	M	91.2	Very high	89.7	Confident	61 Å²	61	94.9 Å²	94.9	30%	0.3	45%	0.45	S	S	.	.	H	α-helix	trans	-60.6	-41.8	177.3	-70.1	-179.9	61	0	0	113.3	L153 P154 N155 C223 T224 R225 G229 D230 V231	L153-M227 HydrophobicContact CB-SD 4.18Å; P154-M227 HydrophobicContact CB-CE 4.3Å; P154-M227 HydrophobicContact CB-SD 4.5Å; P154-M227 HydrophobicContact CG-CE 3.69Å; P154-M227 HydrophobicContact CG-SD 4.27Å; N155-M227 PolarHBondContact OD1-SD 2.8Å; N155-M227 VanDerWaalsContact OD1-SD 3.38Å; C223-M227 WeakPolarHBondContact O-CG 3.41Å; C223-M227 PolarHBondContact O-N 3.09Å; C223-M227 VanDerWaalsContact O-N 3.15Å; T224-M227 PolarHBondContact O-N 3.18Å; R225-M227 VanDerWaalsContact C-N 3.34Å; R225-M227 PolarHBondContact O-N 3.35Å; M227-G229 VanDerWaalsContact C-N 3.32Å; M227-G229 PolarHBondContact O-N 2.95Å; M227-D230 PolarHBondContact O-N 2.91Å; M227-V231 VanDerWaalsContact O-CG2 3.3Å; M227-V231 WeakPolarHBondContact O-CG2 3.38Å; M227-V231 PolarHBondContact O-N 3.26Å
228	K	91.6	Very high	88.5	Confident	143 Å²	143	96.2 Å²	96.2	62%	0.622	46%	0.464	S	S	*	.	H	α-helix	trans	-65.1	-37.3	177.1	-72.7	-179.7	-178.6	-178.2	0	111.9	T224 R225 Q226 T232	T224-K228 WeakPolarHBondContact O-CG 3.48Å; T224-K228 PolarHBondContact O-N 3.35Å; T224-K228 VanDerWaalsContact O-N 3.1Å; R225-K228 PolarHBondContact O-N 2.04Å; Q226-K228 PolarHBondContact O-N 2.65Å; K228-T232 WeakPolarHBondContact O-CB 3.39Å; K228-T232 PolarHBondContact O-N 3.46Å; K228-T232 PolarHBondContact O-OG1 3.14Å
229	G	86.3	Confident	87.5	Confident	38 Å²	38	100.9 Å²	100.9	39%	0.392	48%	0.48	S	S	.	.	H	α-helix	trans	-60.2	-49.2	174.3	0	0	0	0	0	111.8	R225 Q226 M227 V231 T232 N233	R225-G229 PolarHBondContact O-N 3.29Å; Q226-G229 PolarHBondContact O-N 3.46Å; Q226-G229 VanDerWaalsContact O-N 3.16Å; M227-G229 VanDerWaalsContact C-N 3.32Å; M227-G229 PolarHBondContact O-N 2.95Å; G229-V231 PolarHBondContact O-N 2.92Å; G229-T232 PolarHBondContact O-N 3.44Å; G229-N233 WeakPolarHBondContact O-CB 3.48Å; G229-N233 PolarHBondContact O-N 2.9Å
230	D	83.6	Confident	86.4	Confident	111 Å²	111	107.5 Å²	107.5	59%	0.594	52%	0.52	S	S	*	.	H	α-helix	trans	-62.8	-44.3	180	-66	-22.8	0	0	0	112.1	Q226 M227 T232 N233 E234	Q226-D230 PolarHBondContact O-N 3.42Å; M227-D230 PolarHBondContact O-N 2.91Å; D230-T232 VanDerWaalsContact C-N 3.33Å; D230-T232 PolarHBondContact O-N 2.94Å; D230-N233 PolarHBondContact O-N 3.3Å; D230-E234 WeakPolarHBondContact O-CB 3.49Å; D230-E234 PolarHBondContact O-N 3.22Å
231	V	82.7	Confident	85	Confident	79 Å²	79	114.1 Å²	114.1	48%	0.479	56%	0.56	S	S	.	*	H	α-helix	trans	-63.9	-38.5	176.8	173.8	0	0	0	0	111.8	M227 G229 K235	M227-V231 VanDerWaalsContact O-CG2 3.3Å; M227-V231 WeakPolarHBondContact O-CG2 3.38Å; M227-V231 PolarHBondContact O-N 3.26Å; G229-V231 PolarHBondContact O-N 2.92Å; V231-K235 WeakPolarHBondContact O-CG 3.33Å; V231-K235 PolarHBondContact O-N 3.33Å; V231-K235 VanDerWaalsContact O-N 3.16Å
232	T	84.4	Confident	84.4	Confident	68 Å²	68	115.7 Å²	115.7	42%	0.417	57%	0.566	S	S	.	*	H	α-helix	trans	-69	-38.1	178.5	-55.4	0	0	0	0	111.1	K228 G229 D230 R236	K228-T232 WeakPolarHBondContact O-CB 3.39Å; K228-T232 PolarHBondContact O-N 3.46Å; K228-T232 PolarHBondContact O-OG1 3.14Å; G229-T232 PolarHBondContact O-N 3.44Å; D230-T232 VanDerWaalsContact C-N 3.33Å; D230-T232 PolarHBondContact O-N 2.94Å; T232-R236 WeakPolarHBondContact O-CG 3.4Å; T232-R236 PolarHBondContact O-N 2.94Å
233	N	80.3	Confident	83.8	Confident	112 Å²	112	116.5 Å²	116.5	60%	0.599	57%	0.572	S	S	*	*	H	α-helix	trans	-71.2	-39.9	178.3	-155.4	7.9	0	0	0	111.7	G229 D230 K235 R236 R237	G229-N233 WeakPolarHBondContact O-CB 3.48Å; G229-N233 PolarHBondContact O-N 2.9Å; D230-N233 PolarHBondContact O-N 3.3Å; N233-K235 PolarHBondContact O-N 2.99Å; N233-R236 PolarHBondContact O-N 3.28Å; N233-R236 VanDerWaalsContact O-N 3.07Å; N233-R237 PolarHBondContact O-N 2.87Å
234	E	82.6	Confident	83.1	Confident	113 Å²	113	122.9 Å²	122.9	53%	0.528	60%	0.603	S	S	.	*	H	α-helix	trans	-63.2	-41.1	176.6	-171	60.4	-161.4	0	0	112	D230 R236 R237	D230-E234 WeakPolarHBondContact O-CB 3.49Å; D230-E234 PolarHBondContact O-N 3.22Å; E234-R236 PolarHBondContact O-N 2.92Å; E234-R237 PolarHBondContact O-N 3.1Å; E234-R237 VanDerWaalsContact O-N 3.17Å; E234-R237 IonicContact OE2-CZ 3.71Å; E234-R237 IonicContact OE2-NE 3.57Å; E234-R237 IonicContact OE2-NH1 2.92Å
235	K	81.3	Confident	82.4	Confident	174 Å²	174	128.5 Å²	128.5	76%	0.757	63%	0.629	S	S	*	*	H	α-helix	trans	-64.1	-21.8	174.1	-74	179.7	-179.9	-176.7	0	113.9	V231 N233	V231-K235 WeakPolarHBondContact O-CG 3.33Å; V231-K235 PolarHBondContact O-N 3.33Å; V231-K235 VanDerWaalsContact O-N 3.16Å; N233-K235 PolarHBondContact O-N 2.99Å
236	R	83.7	Confident	81.6	Confident	197 Å²	197	125.4 Å²	125.4	74%	0.743	63%	0.626	S	S	*	*	H	α-helix	trans	-89.9	-9.6	178.2	-71.5	176.8	-176.8	-170.4	0.9	113	T232 N233 E234	T232-R236 WeakPolarHBondContact O-CG 3.4Å; T232-R236 PolarHBondContact O-N 2.94Å; N233-R236 PolarHBondContact O-N 3.28Å; N233-R236 VanDerWaalsContact O-N 3.07Å; E234-R236 PolarHBondContact O-N 2.92Å
237	R	74.1	Confident	80.9	Confident	171 Å²	171	128.2 Å²	128.2	65%	0.645	64%	0.642	S	S	*	*	S	Bend	trans	-62.3	126	174.6	-94	180	-169.5	-173.5	4.7	109.2	N233 E234 K239	N233-R237 PolarHBondContact O-N 2.87Å; E234-R237 PolarHBondContact O-N 3.1Å; E234-R237 VanDerWaalsContact O-N 3.17Å; E234-R237 IonicContact OE2-CZ 3.71Å; E234-R237 IonicContact OE2-NE 3.57Å; E234-R237 IonicContact OE2-NH1 2.92Å; R237-K239 PolarHBondContact O-N 3.05Å
238	P	71.6	Confident	80.2	Confident	112 Å²	112	133 Å²	133	73%	0.727	67%	0.666	S	S	*	*			trans	-59.3	133.2	172.5	23.5	-30.4	0	0	0	108.8	V240	P238-V240 PolarHBondContact O-N 3.41Å; P238-V240 VanDerWaalsContact O-N 3.15Å
239	K	76.8	Confident	79.3	Confident	188 Å²	188	132.2 Å²	132.2	82%	0.817	67%	0.669	S	S	*	*			trans	-63.3	115.5	170.1	-72.6	-176.7	177.7	-179.8	0	107.1	R237 D241	R237-K239 PolarHBondContact O-N 3.05Å; K239-D241 PolarHBondContact O-N 3.35Å
240	V	74.6	Confident	78.7	Confident	142 Å²	142	140.1 Å²	140.1	86%	0.861	69%	0.693	S	S	*	*			trans	-81.1	100.4	166.6	-176.7	0	0	0	0	104.7	P238	P238-V240 PolarHBondContact O-N 3.41Å; P238-V240 VanDerWaalsContact O-N 3.15Å
241	D	68.8	Low	78.3	Confident	214 Å²	214	142.7 Å²	142.7	100%	1.144	70%	0.702	S	S	*	*			trans	-73.1	0	169.9	-67.3	-30.8	0	0	0	110.6	K239	K239-D241 PolarHBondContact O-N 3.35Å

Retrieved 241 of 241 residues in 65 ms (Link to these results)

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