A0A5K4EBZ6_SCHMA Loading...

Thioredoxin domain-containing protein 9

AlphaFold DB , UniProt , Accession A0A5K4EBZ6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 243 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	43.7	Very low	48.4	Very low	239 Å²	239	157.4 Å²	157.4	100%	1.177	83%	0.828	S	S	*	*				0	95.8	0	-61.3	-173.1	108.1	0	0	105.6
2	S	41.8	Very low	49.1	Very low	105 Å²	105	152.8 Å²	152.8	73%	0.734	81%	0.811	S	S	*	*				108.1	86.2	94	49.8	0	0	0	0	108.2
3	E	42.3	Very low	50.2	Low	191 Å²	191	146.5 Å²	146.5	89%	0.893	78%	0.782	S	S	*	*				91.5	95.5	93.6	-86.9	-177.5	171.6	0	0	112.7
4	T	44.2	Very low	51.8	Low	141 Å²	141	142.6 Å²	142.6	87%	0.865	77%	0.766	S	S	*	*			trans	-75.1	112.3	167.7	33.2	0	0	0	0	111.2
5	S	50.4	Low	53.2	Low	115 Å²	115	141.4 Å²	141.4	80%	0.804	75%	0.754	S	S	*	*			trans	-85.1	109.2	162.4	-72.4	0	0	0	0	109.9
6	K	50.4	Low	55	Low	204 Å²	204	140.3 Å²	140.3	89%	0.887	74%	0.743	S	S	*	*			trans	-101.5	110.7	162.7	-77.9	-173.3	177.7	-176.3	0	108.3
7	Q	52.3	Low	56.6	Low	180 Å²	180	139.9 Å²	139.9	84%	0.841	73%	0.733	S	S	*	*			trans	-66.3	132.3	176.5	-84.8	140.9	-30.2	0	0	111.8	Q9	Q7-Q9 PolarHBondContact O-N 3.47Å
8	N	47.4	Very low	58.1	Low	149 Å²	149	137.2 Å²	137.2	80%	0.797	72%	0.719	S	S	*	*			trans	-56.6	114.3	172.3	-105.7	-16.7	0	0	0	111.8	I10	N8-I10 HydrophobicContact CB-CG1 4.3Å
9	Q	54.2	Low	59.7	Low	192 Å²	192	134.2 Å²	134.2	90%	0.897	70%	0.703	S	S	*	*			trans	-91.6	101.3	157.5	-69.5	-179.6	21.5	0	0	107.4	Q7	Q7-Q9 PolarHBondContact O-N 3.47Å
10	I	56.1	Low	61	Low	137 Å²	137	133.4 Å²	133.4	70%	0.703	70%	0.695	S	S	*	*			trans	-83.7	137.4	174.1	-58.1	156.2	0	0	0	106.6	N8 T12	N8-I10 HydrophobicContact CB-CG1 4.3Å; I10-T12 PolarHBondContact O-N 2.97Å
11	P	49.6	Very low	62.4	Low	78 Å²	78	129 Å²	129	51%	0.506	68%	0.676	S	S	.	*			trans	-82	115.1	-154.2	9.2	5.9	0	0	0	112.1	T13 T14	P11-T13 PolarHBondContact O-N 3.19Å; P11-T14 PolarHBondContact O-N 3.29Å; P11-T14 PolarHBondContact O-OG1 3.02Å
12	T	56.7	Low	64.5	Low	103 Å²	103	122.7 Å²	122.7	63%	0.632	64%	0.644	S	S	*	*	H	α-helix	trans	-57.6	-31.1	171.4	47.3	0	0	0	0	112.4	I10 T14 H15 E16	I10-T12 PolarHBondContact O-N 2.97Å; T12-T14 PolarHBondContact O-N 2.99Å; T12-H15 PolarHBondContact O-N 3.3Å; T12-E16 PolarHBondContact O-N 3.24Å
13	T	63	Low	66.9	Low	71 Å²	71	123 Å²	123	44%	0.436	64%	0.637	S	S	.	*	H	α-helix	trans	-59.4	-30.1	179.2	-48.7	0	0	0	0	113.7	P11 K17	P11-T13 PolarHBondContact O-N 3.19Å; T13-K17 HydrophobicContact CG2-CD 4.37Å; T13-K17 VanDerWaalsContact O-CG 3.31Å; T13-K17 WeakPolarHBondContact O-CG 3.47Å; T13-K17 PolarHBondContact O-N 3.49Å
14	T	73	Confident	69.2	Low	91 Å²	91	117.9 Å²	117.9	56%	0.558	62%	0.615	S	S	*	*	H	α-helix	trans	-73.8	-35.5	-179.4	-31.3	0	0	0	0	111.6	P11 T12 L18	P11-T14 PolarHBondContact O-N 3.29Å; P11-T14 PolarHBondContact O-OG1 3.02Å; T12-T14 PolarHBondContact O-N 2.99Å; T14-L18 PolarHBondContact O-N 2.98Å; T14-L18 VanDerWaalsContact O-N 3.17Å
15	H	73.6	Confident	71.5	Confident	125 Å²	125	117.1 Å²	117.1	58%	0.579	60%	0.599	S	S	*	*	H	α-helix	trans	-73.9	-39.9	179.1	-164.3	-82.2	0	0	0	111.3	T12 L18 I19	T12-H15 PolarHBondContact O-N 3.3Å; H15-L18 PolarHBondContact O-N 2.89Å; H15-I19 WeakPolarHBondContact ND1-CD1 3.47Å; H15-I19 WeakPolarHBondContact O-CG1 3.36Å; H15-I19 PolarHBondContact O-N 3.33Å
16	E	80.9	Confident	73.4	Confident	123 Å²	123	115.3 Å²	115.3	58%	0.575	58%	0.583	S	S	*	*	H	α-helix	trans	-60	-47.1	174.5	-71.1	171.3	171.2	0	0	111.9	T12 L18 I19 E20	T12-E16 PolarHBondContact O-N 3.24Å; E16-L18 VanDerWaalsContact C-N 3.3Å; E16-L18 PolarHBondContact O-N 2.9Å; E16-I19 PolarHBondContact O-N 3.37Å; E16-E20 PolarHBondContact O-N 3.09Å
17	K	81.8	Confident	75.5	Confident	134 Å²	134	107.9 Å²	107.9	58%	0.583	56%	0.56	S	S	*	*	H	α-helix	trans	-62.9	-35.2	176.4	-73.1	178.2	178	-176.2	0	113	T13 S21	T13-K17 HydrophobicContact CG2-CD 4.37Å; T13-K17 VanDerWaalsContact O-CG 3.31Å; T13-K17 WeakPolarHBondContact O-CG 3.47Å; T13-K17 PolarHBondContact O-N 3.49Å; K17-S21 WeakPolarHBondContact O-CB 3.32Å; K17-S21 PolarHBondContact O-N 3.39Å; K17-S21 PolarHBondContact O-OG 3.41Å
18	L	84.9	Confident	77.4	Confident	91 Å²	91	104.2 Å²	104.2	48%	0.476	54%	0.543	S	S	.	.	H	α-helix	trans	-65.2	-46.5	175.7	-176.5	66.8	0	0	0	110.5	T14 H15 E16 S21 Q22	T14-L18 PolarHBondContact O-N 2.98Å; T14-L18 VanDerWaalsContact O-N 3.17Å; H15-L18 PolarHBondContact O-N 2.89Å; E16-L18 VanDerWaalsContact C-N 3.3Å; E16-L18 PolarHBondContact O-N 2.9Å; L18-S21 PolarHBondContact O-N 3.28Å; L18-S21 PolarHBondContact O-OG 3.44Å; L18-Q22 WeakPolarHBondContact O-CG 3.44Å; L18-Q22 PolarHBondContact O-N 3.2Å
19	I	88.6	Confident	79.6	Confident	80 Å²	80	102.1 Å²	102.1	41%	0.41	53%	0.531	S	S	.	.	H	α-helix	trans	-59.4	-48.1	175.3	-65.8	164.4	0	0	0	110.4	H15 E16 S21 Q22 L23	H15-I19 WeakPolarHBondContact ND1-CD1 3.47Å; H15-I19 WeakPolarHBondContact O-CG1 3.36Å; H15-I19 PolarHBondContact O-N 3.33Å; E16-I19 PolarHBondContact O-N 3.37Å; I19-S21 VanDerWaalsContact C-N 3.33Å; I19-S21 PolarHBondContact O-N 3.49Å; I19-Q22 WeakPolarHBondContact O-CB 3.41Å; I19-Q22 PolarHBondContact O-N 2.95Å; I19-Q22 VanDerWaalsContact O-N 3.15Å; I19-L23 WeakPolarHBondContact O-CB 3.38Å; I19-L23 PolarHBondContact O-N 2.99Å
20	E	85.9	Confident	81.5	Confident	118 Å²	118	98 Å²	98	55%	0.551	51%	0.514	S	S	*	.	H	α-helix	trans	-57.5	-45.9	178	-174.3	-178.6	-172.2	0	0	111.3	E16 Q22 L23 I24	E16-E20 PolarHBondContact O-N 3.09Å; E20-Q22 VanDerWaalsContact C-N 3.32Å; E20-Q22 PolarHBondContact O-N 2.93Å; E20-L23 WeakPolarHBondContact O-CB 3.29Å; E20-L23 PolarHBondContact O-N 3.29Å; E20-L23 VanDerWaalsContact O-N 3.14Å; E20-I24 HydrophobicContact CG-CD1 4.01Å; E20-I24 VanDerWaalsContact O-CG1 3.31Å; E20-I24 WeakPolarHBondContact O-CG1 3.27Å; E20-I24 PolarHBondContact O-N 2.88Å
21	S	89.1	Confident	83.2	Confident	42 Å²	42	97.1 Å²	97.1	29%	0.294	51%	0.507	S	S	.	.	H	α-helix	trans	-64.3	-35.3	177.7	77	0	0	0	0	113.1	K17 L18 I19 K25	K17-S21 WeakPolarHBondContact O-CB 3.32Å; K17-S21 PolarHBondContact O-N 3.39Å; K17-S21 PolarHBondContact O-OG 3.41Å; L18-S21 PolarHBondContact O-N 3.28Å; L18-S21 PolarHBondContact O-OG 3.44Å; I19-S21 VanDerWaalsContact C-N 3.33Å; I19-S21 PolarHBondContact O-N 3.49Å; S21-K25 WeakPolarHBondContact O-CB 3.49Å; S21-K25 VanDerWaalsContact O-CG 3.22Å; S21-K25 WeakPolarHBondContact O-CG 3.43Å; S21-K25 PolarHBondContact O-N 2.9Å
22	Q	88.7	Confident	85.3	Confident	107 Å²	107	98 Å²	98	50%	0.5	51%	0.507	S	S	.	.	H	α-helix	trans	-69.6	-38.3	174	-73.4	175	-6.4	0	0	110.9	L18 I19 E20 K25 T26	L18-Q22 WeakPolarHBondContact O-CG 3.44Å; L18-Q22 PolarHBondContact O-N 3.2Å; I19-Q22 WeakPolarHBondContact O-CB 3.41Å; I19-Q22 PolarHBondContact O-N 2.95Å; I19-Q22 VanDerWaalsContact O-N 3.15Å; E20-Q22 VanDerWaalsContact C-N 3.32Å; E20-Q22 PolarHBondContact O-N 2.93Å; Q22-K25 PolarHBondContact O-N 3.32Å; Q22-T26 WeakPolarHBondContact O-CB 3.3Å; Q22-T26 VanDerWaalsContact O-CG2 3.31Å; Q22-T26 WeakPolarHBondContact O-CG2 3.36Å; Q22-T26 PolarHBondContact O-N 3Å; Q22-T26 PolarHBondContact O-OG1 3.32Å
23	L	90.9	Very high	87.1	Confident	112 Å²	112	95.6 Å²	95.6	59%	0.586	49%	0.493	S	S	*	.	H	α-helix	trans	-67	-40.5	177.4	-154.3	148.6	0	0	0	111.3	I19 E20 T26 A27	I19-L23 WeakPolarHBondContact O-CB 3.38Å; I19-L23 PolarHBondContact O-N 2.99Å; E20-L23 WeakPolarHBondContact O-CB 3.29Å; E20-L23 PolarHBondContact O-N 3.29Å; E20-L23 VanDerWaalsContact O-N 3.14Å; L23-T26 VanDerWaalsContact CA-OG1 3.29Å; L23-T26 WeakPolarHBondContact CA-OG1 3.29Å; L23-T26 PolarHBondContact O-N 2.84Å; L23-T26 PolarHBondContact O-OG1 3.11Å; L23-A27 VanDerWaalsContact O-CB 3.31Å; L23-A27 WeakPolarHBondContact O-CB 3.47Å; L23-A27 PolarHBondContact O-N 3.44Å
24	I	92.1	Very high	88.5	Confident	83 Å²	83	96.8 Å²	96.8	43%	0.426	50%	0.496	S	S	.	.	H	α-helix	trans	-64.7	-46.5	173.6	-67.2	164.7	0	0	0	110.8	E20 T26 A27 Q28	E20-I24 HydrophobicContact CG-CD1 4.01Å; E20-I24 VanDerWaalsContact O-CG1 3.31Å; E20-I24 WeakPolarHBondContact O-CG1 3.27Å; E20-I24 PolarHBondContact O-N 2.88Å; I24-T26 VanDerWaalsContact C-N 3.34Å; I24-T26 PolarHBondContact O-N 3.28Å; I24-A27 WeakPolarHBondContact O-CB 3.39Å; I24-A27 PolarHBondContact O-N 3.45Å; I24-Q28 WeakPolarHBondContact O-CG 3.5Å; I24-Q28 PolarHBondContact O-N 2.98Å
25	K	91.6	Very high	89.3	Confident	125 Å²	125	96.7 Å²	96.7	54%	0.543	49%	0.492	S	S	.	.	H	α-helix	trans	-62.3	-41.8	177.9	-75.4	173.2	-178.3	-178.3	0	112.2	S21 Q22 Q28 I29	S21-K25 WeakPolarHBondContact O-CB 3.49Å; S21-K25 VanDerWaalsContact O-CG 3.22Å; S21-K25 WeakPolarHBondContact O-CG 3.43Å; S21-K25 PolarHBondContact O-N 2.9Å; Q22-K25 PolarHBondContact O-N 3.32Å; K25-Q28 PolarHBondContact O-N 3.26Å; K25-I29 WeakPolarHBondContact O-CD1 3.23Å; K25-I29 VanDerWaalsContact O-CG1 3.23Å; K25-I29 WeakPolarHBondContact O-CG1 3.45Å; K25-I29 PolarHBondContact O-N 3.05Å
26	T	91.2	Very high	90.2	Very high	76 Å²	76	97.3 Å²	97.3	47%	0.466	50%	0.495	S	S	.	.	H	α-helix	trans	-66.6	-38.2	175.9	48.3	0	0	0	0	111.5	Q22 L23 I24 I29 L30	Q22-T26 WeakPolarHBondContact O-CB 3.3Å; Q22-T26 VanDerWaalsContact O-CG2 3.31Å; Q22-T26 WeakPolarHBondContact O-CG2 3.36Å; Q22-T26 PolarHBondContact O-N 3Å; Q22-T26 PolarHBondContact O-OG1 3.32Å; L23-T26 VanDerWaalsContact CA-OG1 3.29Å; L23-T26 WeakPolarHBondContact CA-OG1 3.29Å; L23-T26 PolarHBondContact O-N 2.84Å; L23-T26 PolarHBondContact O-OG1 3.11Å; I24-T26 VanDerWaalsContact C-N 3.34Å; I24-T26 PolarHBondContact O-N 3.28Å; T26-I29 PolarHBondContact O-N 3.34Å; T26-L30 WeakPolarHBondContact O-CB 3.48Å; T26-L30 VanDerWaalsContact O-CG 3.26Å; T26-L30 WeakPolarHBondContact O-CG 3.31Å; T26-L30 PolarHBondContact O-N 3.31Å
27	A	93.3	Very high	90.6	Very high	49 Å²	49	96.9 Å²	96.9	41%	0.405	49%	0.493	S	S	.	.	H	α-helix	trans	-62.2	-43.3	173.1	0	0	0	0	0	112.4	L23 I24 L30 E31	L23-A27 VanDerWaalsContact O-CB 3.31Å; L23-A27 WeakPolarHBondContact O-CB 3.47Å; L23-A27 PolarHBondContact O-N 3.44Å; I24-A27 WeakPolarHBondContact O-CB 3.39Å; I24-A27 PolarHBondContact O-N 3.45Å; A27-L30 PolarHBondContact O-N 3.4Å; A27-E31 WeakPolarHBondContact O-CB 3.46Å; A27-E31 PolarHBondContact O-N 2.88Å
28	Q	93.1	Very high	90.9	Very high	103 Å²	103	94.7 Å²	94.7	48%	0.481	49%	0.487	S	S	.	.	H	α-helix	trans	-63.1	-46.5	176.1	-73.7	173.6	-25.9	0	0	112	I24 K25 L30 E31 D32	I24-Q28 WeakPolarHBondContact O-CG 3.5Å; I24-Q28 PolarHBondContact O-N 2.98Å; K25-Q28 PolarHBondContact O-N 3.26Å; Q28-L30 VanDerWaalsContact C-N 3.26Å; Q28-L30 PolarHBondContact O-N 2.76Å; Q28-E31 WeakPolarHBondContact O-CB 3.19Å; Q28-E31 PolarHBondContact O-N 3.48Å; Q28-E31 VanDerWaalsContact O-N 3.17Å; Q28-D32 VanDerWaalsContact O-CG 3.3Å; Q28-D32 PolarHBondContact O-N 2.98Å
29	I	93.4	Very high	91.2	Very high	104 Å²	104	95.1 Å²	95.1	53%	0.533	49%	0.49	S	S	.	.	H	α-helix	trans	-59.5	-41	175.7	-67.1	162.9	0	0	0	110.4	K25 T26 T33	K25-I29 WeakPolarHBondContact O-CD1 3.23Å; K25-I29 VanDerWaalsContact O-CG1 3.23Å; K25-I29 WeakPolarHBondContact O-CG1 3.45Å; K25-I29 PolarHBondContact O-N 3.05Å; T26-I29 PolarHBondContact O-N 3.34Å; I29-T33 WeakPolarHBondContact O-CG2 3.42Å; I29-T33 PolarHBondContact O-N 3.45Å; I29-T33 PolarHBondContact O-OG1 3.26Å
30	L	93.7	Very high	91.1	Very high	107 Å²	107	99.6 Å²	99.6	56%	0.56	50%	0.501	S	S	*	.	H	α-helix	trans	-64.9	-44	176.1	-73.1	172.8	0	0	0	111.8	T26 A27 Q28 T33 L34	T26-L30 WeakPolarHBondContact O-CB 3.48Å; T26-L30 VanDerWaalsContact O-CG 3.26Å; T26-L30 WeakPolarHBondContact O-CG 3.31Å; T26-L30 PolarHBondContact O-N 3.31Å; A27-L30 PolarHBondContact O-N 3.4Å; Q28-L30 VanDerWaalsContact C-N 3.26Å; Q28-L30 PolarHBondContact O-N 2.76Å; L30-T33 WeakPolarHBondContact CA-OG1 3.36Å; L30-T33 PolarHBondContact O-N 2.75Å; L30-T33 PolarHBondContact O-OG1 2.89Å; L30-L34 VanDerWaalsContact O-CG 3.27Å; L30-L34 WeakPolarHBondContact O-CG 3.22Å; L30-L34 PolarHBondContact O-N 3.02Å
31	E	92.5	Very high	91.1	Very high	117 Å²	117	99 Å²	99	55%	0.547	50%	0.502	S	S	.	.	H	α-helix	trans	-57.7	-51.7	175.6	-174.5	174.8	-162.1	0	0	111.2	A27 Q28 T33 L34 D35	A27-E31 WeakPolarHBondContact O-CB 3.46Å; A27-E31 PolarHBondContact O-N 2.88Å; Q28-E31 WeakPolarHBondContact O-CB 3.19Å; Q28-E31 PolarHBondContact O-N 3.48Å; Q28-E31 VanDerWaalsContact O-N 3.17Å; E31-T33 VanDerWaalsContact C-N 3.31Å; E31-T33 PolarHBondContact O-N 3.27Å; E31-L34 WeakPolarHBondContact O-CB 3.49Å; E31-L34 PolarHBondContact O-N 3.35Å; E31-D35 PolarHBondContact O-N 2.92Å
32	D	93.8	Very high	91	Very high	96 Å²	96	102.9 Å²	102.9	51%	0.513	52%	0.519	S	S	.	.	H	α-helix	trans	-57.4	-44	178.1	-66	-23.9	0	0	0	111.4	Q28 L34 D35 E36	Q28-D32 VanDerWaalsContact O-CG 3.3Å; Q28-D32 PolarHBondContact O-N 2.98Å; D32-L34 VanDerWaalsContact C-N 3.3Å; D32-L34 PolarHBondContact O-N 3.34Å; D32-D35 PolarHBondContact O-N 3.43Å; D32-E36 WeakPolarHBondContact O-CG 3.31Å; D32-E36 PolarHBondContact O-N 3.31Å
33	T	93.6	Very high	90.9	Very high	53 Å²	53	102.7 Å²	102.7	33%	0.325	52%	0.522	S	S	.	.	H	α-helix	trans	-67.8	-28.4	177.9	61.7	0	0	0	0	113.6	I29 L30 E31 Q37	I29-T33 WeakPolarHBondContact O-CG2 3.42Å; I29-T33 PolarHBondContact O-N 3.45Å; I29-T33 PolarHBondContact O-OG1 3.26Å; L30-T33 WeakPolarHBondContact CA-OG1 3.36Å; L30-T33 PolarHBondContact O-N 2.75Å; L30-T33 PolarHBondContact O-OG1 2.89Å; E31-T33 VanDerWaalsContact C-N 3.31Å; E31-T33 PolarHBondContact O-N 3.27Å; T33-Q37 VanDerWaalsContact O-CG 3.29Å; T33-Q37 WeakPolarHBondContact O-CG 3.29Å; T33-Q37 PolarHBondContact O-N 2.89Å; T33-Q37 PolarHBondContact O-NE2 3.38Å
34	L	91.8	Very high	90.7	Very high	96 Å²	96	99.5 Å²	99.5	50%	0.503	51%	0.505	S	S	.	.	H	α-helix	trans	-75.4	-43.2	175	-73.4	171.8	0	0	0	110.2	L30 E31 D32 E36 Q37 I38	L30-L34 VanDerWaalsContact O-CG 3.27Å; L30-L34 WeakPolarHBondContact O-CG 3.22Å; L30-L34 PolarHBondContact O-N 3.02Å; E31-L34 WeakPolarHBondContact O-CB 3.49Å; E31-L34 PolarHBondContact O-N 3.35Å; D32-L34 VanDerWaalsContact C-N 3.3Å; D32-L34 PolarHBondContact O-N 3.34Å; L34-E36 VanDerWaalsContact C-N 3.33Å; L34-E36 PolarHBondContact O-N 3.41Å; L34-Q37 WeakPolarHBondContact O-CB 3.49Å; L34-Q37 PolarHBondContact O-N 3.34Å; L34-Q37 VanDerWaalsContact O-N 3.11Å; L34-I38 VanDerWaalsContact O-CG1 3.31Å; L34-I38 WeakPolarHBondContact O-CG1 3.49Å; L34-I38 PolarHBondContact O-N 3.23Å
35	D	91.6	Very high	90.5	Very high	89 Å²	89	100.9 Å²	100.9	48%	0.476	51%	0.513	S	S	.	.	H	α-helix	trans	-60.6	-42.4	176.6	-76.5	-11.6	0	0	0	111.6	E31 D32 Q37 I38 N39	E31-D35 PolarHBondContact O-N 2.92Å; D32-D35 PolarHBondContact O-N 3.43Å; D35-Q37 VanDerWaalsContact C-N 3.33Å; D35-Q37 PolarHBondContact O-N 2.93Å; D35-I38 PolarHBondContact O-N 3.48Å; D35-N39 WeakPolarHBondContact O-CB 3.49Å; D35-N39 PolarHBondContact O-N 2.89Å
36	E	92	Very high	90.2	Very high	139 Å²	139	101.5 Å²	101.5	65%	0.65	52%	0.522	S	S	*	.	H	α-helix	trans	-59.9	-41.7	172.9	-75.5	-179.9	179	0	0	112.3	D32 L34 R40	D32-E36 WeakPolarHBondContact O-CG 3.31Å; D32-E36 PolarHBondContact O-N 3.31Å; L34-E36 VanDerWaalsContact C-N 3.33Å; L34-E36 PolarHBondContact O-N 3.41Å; E36-R40 WeakPolarHBondContact O-CB 3.44Å; E36-R40 PolarHBondContact O-N 2.85Å
37	Q	88.5	Confident	90.1	Very high	114 Å²	114	104.4 Å²	104.4	53%	0.533	54%	0.535	S	S	.	.	H	α-helix	trans	-68.2	-40.5	177.1	-74.9	173.3	47	0	0	112.3	T33 L34 D35 R40 L41	T33-Q37 VanDerWaalsContact O-CG 3.29Å; T33-Q37 WeakPolarHBondContact O-CG 3.29Å; T33-Q37 PolarHBondContact O-N 2.89Å; T33-Q37 PolarHBondContact O-NE2 3.38Å; L34-Q37 WeakPolarHBondContact O-CB 3.49Å; L34-Q37 PolarHBondContact O-N 3.34Å; L34-Q37 VanDerWaalsContact O-N 3.11Å; D35-Q37 VanDerWaalsContact C-N 3.33Å; D35-Q37 PolarHBondContact O-N 2.93Å; Q37-R40 WeakPolarHBondContact O-CB 3.31Å; Q37-R40 PolarHBondContact O-N 3.47Å; Q37-L41 VanDerWaalsContact O-CG 3.3Å; Q37-L41 WeakPolarHBondContact O-CG 3.37Å; Q37-L41 PolarHBondContact O-N 3.47Å
38	I	89.3	Confident	89.8	Confident	88 Å²	88	104.7 Å²	104.7	45%	0.451	53%	0.53	S	S	.	.	H	α-helix	trans	-61.7	-49.4	175.6	-69	164.9	0	0	0	109.5	L34 D35 R40 L41 D42	L34-I38 VanDerWaalsContact O-CG1 3.31Å; L34-I38 WeakPolarHBondContact O-CG1 3.49Å; L34-I38 PolarHBondContact O-N 3.23Å; D35-I38 PolarHBondContact O-N 3.48Å; I38-R40 VanDerWaalsContact C-N 3.26Å; I38-R40 PolarHBondContact O-N 3.33Å; I38-L41 WeakPolarHBondContact O-CA 3.27Å; I38-L41 WeakPolarHBondContact O-CB 3.26Å; I38-L41 PolarHBondContact O-N 2.86Å; I38-D42 PolarHBondContact O-N 3.36Å
39	N	90.3	Very high	89.5	Confident	99 Å²	99	104 Å²	104	53%	0.529	53%	0.529	S	S	.	.	H	α-helix	trans	-60.6	-36.1	178	-170.8	23.5	0	0	0	112.3	D35 N43	D35-N39 WeakPolarHBondContact O-CB 3.49Å; D35-N39 PolarHBondContact O-N 2.89Å; N39-N43 PolarHBondContact O-N 2.98Å; N39-N43 PolarHBondContact O-ND2 2.86Å; N39-N43 PolarHBondContact OD1-ND2 3.17Å
40	R	87.5	Confident	89.4	Confident	174 Å²	174	102.6 Å²	102.6	66%	0.657	52%	0.52	S	S	*	.	H	α-helix	trans	-64.7	-42.3	171.9	-179.2	-177.3	175.4	-173.4	-0.5	112.1	E36 Q37 I38 N43 L44	E36-R40 WeakPolarHBondContact O-CB 3.44Å; E36-R40 PolarHBondContact O-N 2.85Å; Q37-R40 WeakPolarHBondContact O-CB 3.31Å; Q37-R40 PolarHBondContact O-N 3.47Å; I38-R40 VanDerWaalsContact C-N 3.26Å; I38-R40 PolarHBondContact O-N 3.33Å; R40-N43 CarbonylContact O-C 3.56Å; R40-N43 PolarHBondContact O-N 3.01Å; R40-L44 PolarHBondContact O-N 3.28Å
41	L	85.1	Confident	89.2	Confident	106 Å²	106	100.1 Å²	100.1	56%	0.555	52%	0.515	S	S	*	.	H	α-helix	trans	-68.3	-37.1	179.2	-72	171.8	0	0	0	112.1	Q37 I38 N43 L44	Q37-L41 VanDerWaalsContact O-CG 3.3Å; Q37-L41 WeakPolarHBondContact O-CG 3.37Å; Q37-L41 PolarHBondContact O-N 3.47Å; I38-L41 WeakPolarHBondContact O-CA 3.27Å; I38-L41 WeakPolarHBondContact O-CB 3.26Å; I38-L41 PolarHBondContact O-N 2.86Å; L41-N43 VanDerWaalsContact C-N 3.26Å; L41-N43 PolarHBondContact O-N 2.86Å; L41-L44 HydrophobicContact CD2-CD1 4.01Å; L41-L44 VanDerWaalsContact O-CD1 3.29Å; L41-L44 WeakPolarHBondContact O-CD1 3.47Å; L41-L44 VanDerWaalsContact O-CG 3.27Å; L41-L44 WeakPolarHBondContact O-CG 3.45Å
42	D	86.3	Confident	89.1	Confident	123 Å²	123	98.5 Å²	98.5	66%	0.658	51%	0.509	S	S	*	.	H	α-helix	trans	-69.5	-25.7	177.1	-71.9	-18.6	0	0	0	112.3	I38	I38-D42 PolarHBondContact O-N 3.36Å
43	N	87.3	Confident	89.1	Confident	104 Å²	104	101.4 Å²	101.4	56%	0.556	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.5	37.2	178.7	-60.5	-66.6	0	0	0	112.8	N39 R40 L41 N45	N39-N43 PolarHBondContact O-N 2.98Å; N39-N43 PolarHBondContact O-ND2 2.86Å; N39-N43 PolarHBondContact OD1-ND2 3.17Å; R40-N43 CarbonylContact O-C 3.56Å; R40-N43 PolarHBondContact O-N 3.01Å; L41-N43 VanDerWaalsContact C-N 3.26Å; L41-N43 PolarHBondContact O-N 2.86Å; N43-N45 PolarHBondContact O-N 2.96Å
44	L	86.6	Confident	89.1	Confident	44 Å²	44	104.3 Å²	104.3	23%	0.23	52%	0.523	C	S	.	.			trans	-65	127.1	172.3	-71.8	163.4	0	0	0	110	R40 L41 D48 L49 I52	R40-L44 PolarHBondContact O-N 3.28Å; L41-L44 HydrophobicContact CD2-CD1 4.01Å; L41-L44 VanDerWaalsContact O-CD1 3.29Å; L41-L44 WeakPolarHBondContact O-CD1 3.47Å; L41-L44 VanDerWaalsContact O-CG 3.27Å; L41-L44 WeakPolarHBondContact O-CG 3.45Å; L44-D48 HydrophobicContact CB-CB 4.18Å; L44-D48 HydrophobicContact CD2-CB 3.48Å; L44-D48 VanDerWaalsContact CD2-CB 3.48Å; L44-D48 HydrophobicContact CG-CB 4.42Å; L44-L49 HydrophobicContact CB-CD2 4.19Å; L44-L49 HydrophobicContact CB-CG 4.25Å; L44-L49 HydrophobicContact CD1-CD2 4.15Å; L44-I52 HydrophobicContact CD1-CD1 3.84Å; L44-I52 HydrophobicContact CD2-CD1 4.25Å
45	N	87.2	Confident	89.2	Confident	113 Å²	113	105.3 Å²	105.3	60%	0.604	53%	0.528	S	S	*	.			trans	-78.9	167.9	172.4	-68.4	-25.1	0	0	0	110.6	N43 D47 D48 L49	N43-N45 PolarHBondContact O-N 2.96Å; N45-D47 PolarHBondContact O-N 2.85Å; N45-D48 PolarHBondContact N-OD2 3.23Å; N45-D48 WeakPolarHBondContact O-CB 3.43Å; N45-D48 PolarHBondContact O-N 3.42Å; N45-L49 PolarHBondContact O-N 2.89Å; N45-L49 VanDerWaalsContact O-N 3.09Å
46	D	87.1	Confident	89.4	Confident	137 Å²	137	107.4 Å²	107.4	73%	0.733	53%	0.529	S	S	*	.	H	α-helix	trans	-54.2	-38.3	178.4	-68.6	-27.3	0	0	0	112.9	D48 L49 E50	D46-D48 PolarHBondContact O-N 2.89Å; D46-L49 PolarHBondContact O-N 3.41Å; D46-E50 PolarHBondContact O-N 3.02Å
47	D	87.3	Confident	89.5	Confident	138 Å²	138	103.8 Å²	103.8	74%	0.738	51%	0.514	S	S	*	.	H	α-helix	trans	-64.2	-38.6	176.8	-71.9	-23.9	0	0	0	112.5	N45 E50 A51	N45-D47 PolarHBondContact O-N 2.85Å; D47-E50 PolarHBondContact O-N 2.9Å; D47-A51 WeakPolarHBondContact O-CB 3.29Å; D47-A51 PolarHBondContact O-N 2.86Å
48	D	87.8	Confident	89.9	Confident	54 Å²	54	105.6 Å²	105.6	29%	0.289	52%	0.52	S	S	.	.	H	α-helix	trans	-69.6	-40.1	178.3	-65.8	-55.4	0	0	0	110.8	L44 N45 D46 A51 I52	L44-D48 HydrophobicContact CB-CB 4.18Å; L44-D48 HydrophobicContact CD2-CB 3.48Å; L44-D48 VanDerWaalsContact CD2-CB 3.48Å; L44-D48 HydrophobicContact CG-CB 4.42Å; N45-D48 PolarHBondContact N-OD2 3.23Å; N45-D48 WeakPolarHBondContact O-CB 3.43Å; N45-D48 PolarHBondContact O-N 3.42Å; D46-D48 PolarHBondContact O-N 2.89Å; D48-A51 PolarHBondContact O-N 3.4Å; D48-I52 VanDerWaalsContact O-CG1 3.29Å; D48-I52 WeakPolarHBondContact O-CG1 3.49Å; D48-I52 PolarHBondContact O-N 3.39Å
49	L	87.1	Confident	90.2	Very high	89 Å²	89	105.1 Å²	105.1	47%	0.466	52%	0.516	S	S	.	.	H	α-helix	trans	-62.4	-42.8	175.4	-68.9	174.6	0	0	0	111.4	L44 N45 D46 I52 R53	L44-L49 HydrophobicContact CB-CD2 4.19Å; L44-L49 HydrophobicContact CB-CG 4.25Å; L44-L49 HydrophobicContact CD1-CD2 4.15Å; N45-L49 PolarHBondContact O-N 2.89Å; N45-L49 VanDerWaalsContact O-N 3.09Å; D46-L49 PolarHBondContact O-N 3.41Å; L49-I52 PolarHBondContact O-N 3.45Å; L49-R53 WeakPolarHBondContact O-CB 3.31Å; L49-R53 PolarHBondContact O-N 3.48Å
50	E	90.3	Very high	90.4	Very high	74 Å²	74	105 Å²	105	35%	0.346	51%	0.513	S	S	.	.	H	α-helix	trans	-66.3	-38.3	176.2	-176.8	54.4	-148.8	0	0	111.5	D46 D47 I52 R53 Q54	D46-E50 PolarHBondContact O-N 3.02Å; D47-E50 PolarHBondContact O-N 2.9Å; E50-I52 PolarHBondContact O-N 2.84Å; E50-R53 WeakPolarHBondContact O-CB 3.38Å; E50-R53 PolarHBondContact O-N 2.83Å; E50-R53 WeakPolarHBondContact OE2-CD 3.49Å; E50-R53 IonicContact OE2-NH1 2.69Å; E50-Q54 VanDerWaalsContact O-CG 3.32Å; E50-Q54 WeakPolarHBondContact O-CG 3.35Å; E50-Q54 PolarHBondContact O-N 3.14Å; E50-Q54 WeakPolarHBondContact OE1-CG 3.39Å; E50-Q54 PolarHBondContact OE1-NE2 3.15Å
51	A	91.3	Very high	90.8	Very high	55 Å²	55	103.7 Å²	103.7	46%	0.455	51%	0.512	S	S	.	.	H	α-helix	trans	-61.8	-43.5	173.1	0	0	0	0	0	112.3	D47 D48 R53 Q54 L55	D47-A51 WeakPolarHBondContact O-CB 3.29Å; D47-A51 PolarHBondContact O-N 2.86Å; D48-A51 PolarHBondContact O-N 3.4Å; A51-R53 VanDerWaalsContact C-N 3.32Å; A51-R53 PolarHBondContact O-N 2.98Å; A51-Q54 PolarHBondContact O-N 3.32Å; A51-L55 WeakPolarHBondContact O-CB 3.31Å; A51-L55 PolarHBondContact O-N 3.02Å
52	I	90.1	Very high	91.3	Very high	84 Å²	84	102.8 Å²	102.8	43%	0.431	51%	0.505	S	S	.	.	H	α-helix	trans	-61.5	-43	174.8	-68.8	164.9	0	0	0	110.3	L44 D48 L49 E50 L55 R56	L44-I52 HydrophobicContact CD1-CD1 3.84Å; L44-I52 HydrophobicContact CD2-CD1 4.25Å; D48-I52 VanDerWaalsContact O-CG1 3.29Å; D48-I52 WeakPolarHBondContact O-CG1 3.49Å; D48-I52 PolarHBondContact O-N 3.39Å; L49-I52 PolarHBondContact O-N 3.45Å; E50-I52 PolarHBondContact O-N 2.84Å; I52-L55 PolarHBondContact O-N 3.23Å; I52-R56 WeakPolarHBondContact O-CB 3.35Å; I52-R56 PolarHBondContact O-N 3.38Å
53	R	93.1	Very high	91.6	Very high	156 Å²	156	101.4 Å²	101.4	59%	0.589	50%	0.495	S	S	*	.	H	α-helix	trans	-60.1	-48.6	177.1	-173.5	-171.6	-174.7	177.9	3.3	111.4	L49 E50 A51 L55 R56 I57	L49-R53 WeakPolarHBondContact O-CB 3.31Å; L49-R53 PolarHBondContact O-N 3.48Å; E50-R53 WeakPolarHBondContact O-CB 3.38Å; E50-R53 PolarHBondContact O-N 2.83Å; E50-R53 WeakPolarHBondContact OE2-CD 3.49Å; E50-R53 IonicContact OE2-NH1 2.69Å; A51-R53 VanDerWaalsContact C-N 3.32Å; A51-R53 PolarHBondContact O-N 2.98Å; R53-L55 VanDerWaalsContact C-N 3.34Å; R53-L55 PolarHBondContact O-N 3.28Å; R53-R56 PolarHBondContact O-N 2.93Å; R53-I57 HydrophobicContact CG-CD1 3.99Å; R53-I57 VanDerWaalsContact O-CG1 3.31Å; R53-I57 WeakPolarHBondContact O-CG1 3.39Å; R53-I57 PolarHBondContact O-N 3.17Å
54	Q	94.2	Very high	91.9	Very high	114 Å²	114	100.2 Å²	100.2	53%	0.533	50%	0.495	S	S	.	.	H	α-helix	trans	-62.4	-42	178.3	-71.3	176.9	13	0	0	111.7	E50 A51 R56 I57 K58	E50-Q54 VanDerWaalsContact O-CG 3.32Å; E50-Q54 WeakPolarHBondContact O-CG 3.35Å; E50-Q54 PolarHBondContact O-N 3.14Å; E50-Q54 WeakPolarHBondContact OE1-CG 3.39Å; E50-Q54 PolarHBondContact OE1-NE2 3.15Å; A51-Q54 PolarHBondContact O-N 3.32Å; Q54-R56 VanDerWaalsContact C-N 3.33Å; Q54-R56 PolarHBondContact O-N 2.88Å; Q54-I57 PolarHBondContact O-N 3.23Å; Q54-K58 WeakPolarHBondContact O-CB 3.31Å; Q54-K58 PolarHBondContact O-N 3.22Å
55	L	94.3	Very high	92.3	Very high	117 Å²	117	103.6 Å²	103.6	61%	0.613	51%	0.508	S	S	*	.	H	α-helix	trans	-60.4	-44.1	175.1	-177.5	63.8	0	0	0	111.2	A51 I52 R53 K58 Q59	A51-L55 WeakPolarHBondContact O-CB 3.31Å; A51-L55 PolarHBondContact O-N 3.02Å; I52-L55 PolarHBondContact O-N 3.23Å; R53-L55 VanDerWaalsContact C-N 3.34Å; R53-L55 PolarHBondContact O-N 3.28Å; L55-K58 WeakPolarHBondContact O-CB 3.3Å; L55-K58 PolarHBondContact O-N 3.18Å; L55-Q59 PolarHBondContact O-N 3.31Å
56	R	94	Very high	92.6	Very high	133 Å²	133	101.2 Å²	101.2	50%	0.502	49%	0.493	S	S	.	.	H	α-helix	trans	-66.6	-43.4	179	-170.9	60.7	174.5	176.3	-0.8	112.1	I52 R53 Q54 K58 Q59 M60	I52-R56 WeakPolarHBondContact O-CB 3.35Å; I52-R56 PolarHBondContact O-N 3.38Å; R53-R56 PolarHBondContact O-N 2.93Å; Q54-R56 VanDerWaalsContact C-N 3.33Å; Q54-R56 PolarHBondContact O-N 2.88Å; R56-K58 VanDerWaalsContact C-N 3.29Å; R56-K58 PolarHBondContact O-N 3.21Å; R56-Q59 PolarHBondContact O-N 3.27Å; R56-M60 WeakPolarHBondContact O-CG 3.38Å; R56-M60 PolarHBondContact O-N 2.9Å
57	I	95.2	Very high	92.9	Very high	63 Å²	63	101 Å²	101	32%	0.323	48%	0.482	S	S	.	.	H	α-helix	trans	-59.5	-43.7	174.6	-69.1	167.3	0	0	0	110.3	R53 Q54 M60 K61	R53-I57 HydrophobicContact CG-CD1 3.99Å; R53-I57 VanDerWaalsContact O-CG1 3.31Å; R53-I57 WeakPolarHBondContact O-CG1 3.39Å; R53-I57 PolarHBondContact O-N 3.17Å; Q54-I57 PolarHBondContact O-N 3.23Å; I57-M60 HydrophobicContact CG1-CE 4.14Å; I57-M60 PolarHBondContact O-N 2.9Å; I57-K61 HydrophobicContact CG2-CD 4.13Å; I57-K61 HydrophobicContact CG2-CG 4.49Å; I57-K61 WeakPolarHBondContact O-CB 3.38Å; I57-K61 VanDerWaalsContact O-CG 3.3Å; I57-K61 WeakPolarHBondContact O-CG 3.46Å; I57-K61 PolarHBondContact O-N 3.43Å
58	K	96.3	Very high	93.2	Very high	152 Å²	152	98.1 Å²	98.1	66%	0.661	47%	0.472	S	S	*	.	H	α-helix	trans	-61.9	-45.3	176.6	-174.7	-179.5	178.3	-178.5	0	111.7	Q54 L55 R56 K61 E62	Q54-K58 WeakPolarHBondContact O-CB 3.31Å; Q54-K58 PolarHBondContact O-N 3.22Å; L55-K58 WeakPolarHBondContact O-CB 3.3Å; L55-K58 PolarHBondContact O-N 3.18Å; R56-K58 VanDerWaalsContact C-N 3.29Å; R56-K58 PolarHBondContact O-N 3.21Å; K58-K61 PolarHBondContact O-N 3.28Å; K58-E62 PolarHBondContact O-N 3.34Å
59	Q	95.8	Very high	93.5	Very high	79 Å²	79	99.9 Å²	99.9	37%	0.369	48%	0.479	S	S	.	.	H	α-helix	trans	-59.8	-48.2	176	-178.3	-178.7	6.4	0	0	111.5	L55 R56 K61 E62 E63	L55-Q59 PolarHBondContact O-N 3.31Å; R56-Q59 PolarHBondContact O-N 3.27Å; Q59-K61 VanDerWaalsContact C-N 3.32Å; Q59-K61 PolarHBondContact O-N 2.94Å; Q59-E62 PolarHBondContact O-N 3.4Å; Q59-E63 HydrophobicContact CG-CG 4.41Å; Q59-E63 WeakPolarHBondContact CG-OE1 3.5Å; Q59-E63 PolarHBondContact NE2-OE1 3.37Å; Q59-E63 WeakPolarHBondContact O-CG 3.09Å; Q59-E63 PolarHBondContact O-N 2.88Å
60	M	93.7	Very high	93.8	Very high	95 Å²	95	97.2 Å²	97.2	47%	0.468	46%	0.463	S	S	.	.	H	α-helix	trans	-61.5	-39.8	178.7	-71.2	-172.6	-55.6	0	0	112.3	R56 I57 S64	R56-M60 WeakPolarHBondContact O-CG 3.38Å; R56-M60 PolarHBondContact O-N 2.9Å; I57-M60 HydrophobicContact CG1-CE 4.14Å; I57-M60 PolarHBondContact O-N 2.9Å; M60-S64 WeakPolarHBondContact O-CB 3.42Å; M60-S64 PolarHBondContact O-N 3.24Å
61	K	96.4	Very high	94	Very high	147 Å²	147	97.9 Å²	97.9	64%	0.639	47%	0.468	S	S	*	.	H	α-helix	trans	-62.5	-43.7	175.5	-76.6	177.6	178.6	-178.8	0	111.5	I57 K58 Q59 S64 K65	I57-K61 HydrophobicContact CG2-CD 4.13Å; I57-K61 HydrophobicContact CG2-CG 4.49Å; I57-K61 WeakPolarHBondContact O-CB 3.38Å; I57-K61 VanDerWaalsContact O-CG 3.3Å; I57-K61 WeakPolarHBondContact O-CG 3.46Å; I57-K61 PolarHBondContact O-N 3.43Å; K58-K61 PolarHBondContact O-N 3.28Å; Q59-K61 VanDerWaalsContact C-N 3.32Å; Q59-K61 PolarHBondContact O-N 2.94Å; K61-S64 PolarHBondContact O-N 3.48Å; K61-K65 WeakPolarHBondContact O-CB 3.34Å; K61-K65 PolarHBondContact O-N 3.2Å
62	E	96	Very high	94	Very high	87 Å²	87	99.5 Å²	99.5	41%	0.407	48%	0.481	S	S	.	.	H	α-helix	trans	-67	-45.3	178.9	-177.7	56.3	-150.2	0	0	112	K58 Q59 S64 K65 Q66	K58-E62 PolarHBondContact O-N 3.34Å; Q59-E62 PolarHBondContact O-N 3.4Å; E62-S64 VanDerWaalsContact C-N 3.32Å; E62-S64 PolarHBondContact O-N 2.96Å; E62-K65 WeakPolarHBondContact O-CB 3.41Å; E62-K65 PolarHBondContact O-N 2.92Å; E62-Q66 WeakPolarHBondContact O-CG 3.41Å; E62-Q66 PolarHBondContact O-N 3.41Å; E62-Q66 PolarHBondContact OE1-NE2 3.39Å
63	E	92.6	Very high	94.1	Very high	95 Å²	95	98.9 Å²	98.9	44%	0.444	48%	0.478	S	S	.	.	H	α-helix	trans	-62.7	-39.7	176	-71.8	174.9	-173.6	0	0	111.9	Q59 R67	Q59-E63 HydrophobicContact CG-CG 4.41Å; Q59-E63 WeakPolarHBondContact CG-OE1 3.5Å; Q59-E63 PolarHBondContact NE2-OE1 3.37Å; Q59-E63 WeakPolarHBondContact O-CG 3.09Å; Q59-E63 PolarHBondContact O-N 2.88Å; E63-R67 WeakPolarHBondContact O-CB 3.34Å; E63-R67 PolarHBondContact O-N 2.93Å
64	S	94	Very high	93.9	Very high	79 Å²	79	92.9 Å²	92.9	55%	0.552	47%	0.465	S	S	*	.	H	α-helix	trans	-63.6	-43.8	174.8	-176.5	0	0	0	0	111.8	M60 K61 E62 R67 S68	M60-S64 WeakPolarHBondContact O-CB 3.42Å; M60-S64 PolarHBondContact O-N 3.24Å; K61-S64 PolarHBondContact O-N 3.48Å; E62-S64 VanDerWaalsContact C-N 3.32Å; E62-S64 PolarHBondContact O-N 2.96Å; S64-R67 PolarHBondContact O-N 3.07Å; S64-S68 PolarHBondContact O-N 2.95Å
65	K	95.6	Very high	93.9	Very high	115 Å²	115	87.6 Å²	87.6	50%	0.5	44%	0.44	S	S	.	.	H	α-helix	trans	-61.2	-50	176	-173.2	-170	177.4	-137.8	0	111.4	K61 E62 R67 S68 E69	K61-K65 WeakPolarHBondContact O-CB 3.34Å; K61-K65 PolarHBondContact O-N 3.2Å; E62-K65 WeakPolarHBondContact O-CB 3.41Å; E62-K65 PolarHBondContact O-N 2.92Å; K65-R67 VanDerWaalsContact C-N 3.31Å; K65-R67 PolarHBondContact O-N 2.89Å; K65-S68 WeakPolarHBondContact O-CB 3.44Å; K65-S68 PolarHBondContact O-N 3.44Å; K65-S68 VanDerWaalsContact O-N 3.09Å; K65-E69 WeakPolarHBondContact CE-OE1 3.34Å; K65-E69 IonicContact NZ-OE1 3.56Å; K65-E69 PolarHBondContact NZ-OE1 2.83Å; K65-E69 WeakPolarHBondContact O-CG 3.42Å; K65-E69 PolarHBondContact O-N 3.09Å
66	Q	93.3	Very high	93.8	Very high	62 Å²	62	82.7 Å²	82.7	29%	0.29	42%	0.418	S	S	.	.	H	α-helix	trans	-58.5	-43.2	177.3	-72.2	177.8	25.4	0	0	111.8	E62 S68 E69 W70	E62-Q66 WeakPolarHBondContact O-CG 3.41Å; E62-Q66 PolarHBondContact O-N 3.41Å; E62-Q66 PolarHBondContact OE1-NE2 3.39Å; Q66-S68 VanDerWaalsContact C-N 3.33Å; Q66-S68 PolarHBondContact O-N 3.28Å; Q66-E69 PolarHBondContact O-N 2.93Å; Q66-W70 HydrophobicContact CB-CH2 4.33Å; Q66-W70 HydrophobicContact CB-CZ2 4.46Å; Q66-W70 HydrophobicContact CB-CZ3 4.48Å; Q66-W70 PolarHBondContact O-N 3.37Å
67	R	92.8	Very high	93.8	Very high	134 Å²	134	81 Å²	81	51%	0.506	42%	0.422	S	S	.	.	H	α-helix	trans	-60.9	-42.6	175.5	-173.3	-177.1	179.4	96.1	-1.8	111.7	E63 S64 K65 W70 L71 I125	E63-R67 WeakPolarHBondContact O-CB 3.34Å; E63-R67 PolarHBondContact O-N 2.93Å; S64-R67 PolarHBondContact O-N 3.07Å; K65-R67 VanDerWaalsContact C-N 3.31Å; K65-R67 PolarHBondContact O-N 2.89Å; R67-W70 PolarHBondContact O-N 2.95Å; R67-L71 HydrophobicContact CG-CD1 4.2Å; R67-L71 VanDerWaalsContact O-CG 3.27Å; R67-L71 WeakPolarHBondContact O-CG 3.19Å; R67-L71 PolarHBondContact O-N 3.28Å; R67-I125 HydrophobicContact CG-CG2 4.45Å; R67-I125 VanDerWaalsContact NH1-CD1 3.34Å
68	S	93.8	Very high	93.9	Very high	77 Å²	77	79.5 Å²	79.5	54%	0.538	41%	0.413	S	S	.	.	H	α-helix	trans	-64.5	-41	176.7	-175.6	0	0	0	0	112	S64 K65 Q66 L71 A72	S64-S68 PolarHBondContact O-N 2.95Å; K65-S68 WeakPolarHBondContact O-CB 3.44Å; K65-S68 PolarHBondContact O-N 3.44Å; K65-S68 VanDerWaalsContact O-N 3.09Å; Q66-S68 VanDerWaalsContact C-N 3.33Å; Q66-S68 PolarHBondContact O-N 3.28Å; S68-L71 PolarHBondContact O-N 2.9Å; S68-A72 WeakPolarHBondContact O-CB 3.2Å; S68-A72 PolarHBondContact O-N 3.45Å
69	E	94.4	Very high	93.8	Very high	90 Å²	90	74.1 Å²	74.1	42%	0.421	39%	0.394	S	S	.	.	H	α-helix	trans	-61.8	-45.5	175.3	-71	173.3	-171.9	0	0	111.4	K65 Q66 A72 L73	K65-E69 WeakPolarHBondContact CE-OE1 3.34Å; K65-E69 IonicContact NZ-OE1 3.56Å; K65-E69 PolarHBondContact NZ-OE1 2.83Å; K65-E69 WeakPolarHBondContact O-CG 3.42Å; K65-E69 PolarHBondContact O-N 3.09Å; Q66-E69 PolarHBondContact O-N 2.93Å; E69-A72 PolarHBondContact O-N 3.38Å; E69-L73 WeakPolarHBondContact O-CG 3.36Å; E69-L73 PolarHBondContact O-N 3.37Å; E69-L73 VanDerWaalsContact O-N 3.07Å
70	W	93.6	Very high	93.8	Very high	34 Å²	34	74.2 Å²	74.2	13%	0.129	40%	0.395	C	S	.	.	H	α-helix	trans	-61.7	-44.8	175.6	-68.9	-31.2	0	0	0	112.5	Q66 R67 A72 L73 G74 H75 I125 E126	Q66-W70 HydrophobicContact CB-CH2 4.33Å; Q66-W70 HydrophobicContact CB-CZ2 4.46Å; Q66-W70 HydrophobicContact CB-CZ3 4.48Å; Q66-W70 PolarHBondContact O-N 3.37Å; R67-W70 PolarHBondContact O-N 2.95Å; W70-A72 VanDerWaalsContact C-N 3.32Å; W70-A72 PolarHBondContact O-N 3.44Å; W70-L73 PolarHBondContact O-N 3.01Å; W70-L73 VanDerWaalsContact O-N 3.17Å; W70-G74 PolarHBondContact O-N 3.28Å; W70-H75 HydrophobicContact CB-CB 3.91Å; W70-H75 AromaticContact CD1-CE1 3.97Å; W70-H75 WeakPolarHBondContact O-CB 3.35Å; W70-H75 PolarHBondContact O-CD2 2.95Å; W70-H75 VanDerWaalsContact O-CD2 3.3Å; W70-H75 PolarHBondContact O-N 3.26Å; W70-I125 HydrophobicContact CB-CG2 3.71Å; W70-I125 HydrophobicContact CE3-CG2 4.14Å; W70-E126 HydrophobicContact CE3-CB 4.23Å; W70-E126 HydrophobicContact CH2-CB 3.76Å; W70-E126 HydrophobicContact CZ2-CB 4.05Å; W70-E126 HydrophobicContact CZ3-CB 3.84Å
71	L	92.7	Very high	93.9	Very high	88 Å²	88	70.3 Å²	70.3	46%	0.461	38%	0.376	S	S	.	.	H	α-helix	trans	-61.5	-40.5	176.5	-71.6	168.8	0	0	0	111.6	R67 S68 L73 G74 I125	R67-L71 HydrophobicContact CG-CD1 4.2Å; R67-L71 VanDerWaalsContact O-CG 3.27Å; R67-L71 WeakPolarHBondContact O-CG 3.19Å; R67-L71 PolarHBondContact O-N 3.28Å; S68-L71 PolarHBondContact O-N 2.9Å; L71-L73 VanDerWaalsContact C-N 3.27Å; L71-L73 PolarHBondContact O-N 3.3Å; L71-G74 PolarHBondContact O-N 3.01Å; L71-I125 HydrophobicContact CD2-CD1 4.43Å; L71-I125 HydrophobicContact CD2-CG2 4.22Å; L71-I125 HydrophobicContact CG-CG2 4.22Å
72	A	92.5	Very high	93.6	Very high	88 Å²	88	67.7 Å²	67.7	73%	0.727	38%	0.376	S	S	*	.	H	α-helix	trans	-63.6	-32.2	176.2	0	0	0	0	0	112.7	S68 E69 W70 G74	S68-A72 WeakPolarHBondContact O-CB 3.2Å; S68-A72 PolarHBondContact O-N 3.45Å; E69-A72 PolarHBondContact O-N 3.38Å; W70-A72 VanDerWaalsContact C-N 3.32Å; W70-A72 PolarHBondContact O-N 3.44Å; A72-G74 PolarHBondContact O-N 3.29Å
73	L	91.3	Very high	93.4	Very high	71 Å²	71	65.9 Å²	65.9	37%	0.372	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-2	174.3	-66.9	172.4	0	0	0	113.6	E69 W70 L71 T93 R128	E69-L73 WeakPolarHBondContact O-CG 3.36Å; E69-L73 PolarHBondContact O-N 3.37Å; E69-L73 VanDerWaalsContact O-N 3.07Å; W70-L73 PolarHBondContact O-N 3.01Å; W70-L73 VanDerWaalsContact O-N 3.17Å; L71-L73 VanDerWaalsContact C-N 3.27Å; L71-L73 PolarHBondContact O-N 3.3Å; L73-T93 HydrophobicContact CD2-CG2 4.15Å; L73-R128 VanDerWaalsContact O-CZ 3.23Å; L73-R128 PolarHBondContact O-NH1 3.38Å; L73-R128 PolarHBondContact O-NH2 3.32Å
74	G	90.2	Very high	93.4	Very high	30 Å²	30	63.3 Å²	63.3	31%	0.309	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.3	19.6	-179.5	0	0	0	0	0	114.2	W70 L71 A72	W70-G74 PolarHBondContact O-N 3.28Å; L71-G74 PolarHBondContact O-N 3.01Å; A72-G74 PolarHBondContact O-N 3.29Å
75	H	92.7	Very high	93.3	Very high	3 Å²	3	67.2 Å²	67.2	1%	0.014	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	164.6	167.7	-64.1	-136.9	0	0	0	110.3	W70 V77 S94 I125	W70-H75 HydrophobicContact CB-CB 3.91Å; W70-H75 AromaticContact CD1-CE1 3.97Å; W70-H75 WeakPolarHBondContact O-CB 3.35Å; W70-H75 PolarHBondContact O-CD2 2.95Å; W70-H75 VanDerWaalsContact O-CD2 3.3Å; W70-H75 PolarHBondContact O-N 3.26Å; H75-V77 PolarHBondContact O-N 2.99Å; H75-S94 PolarHBondContact NE2-OG 3.39Å; H75-I125 HydrophobicContact CB-CG2 4.14Å; H75-I125 WeakPolarHBondContact CB-O 3.31Å; H75-I125 PolarHBondContact ND1-O 3.38Å
76	G	92.6	Very high	93.2	Very high	14 Å²	14	64.9 Å²	64.9	14%	0.144	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.9	-17.3	-178.2	0	0	0	0	0	114.6	A121 S122	G76-A121 CarbonylContact C-O 3.57Å; G76-A121 WeakPolarHBondContact CA-O 3.27Å; G76-A121 CarbonylContact O-C 3.57Å; G76-S122 WeakPolarHBondContact O-CA 3.47Å; G76-S122 PolarHBondContact O-N 3.17Å
77	V	94.5	Very high	93.2	Very high	98 Å²	98	62.4 Å²	62.4	59%	0.594	35%	0.349	S	S	*	.	S	Bend	trans	-124.2	133.4	-178.7	-177.1	0	0	0	0	110.1	H75 S79	H75-V77 PolarHBondContact O-N 2.99Å; V77-S79 PolarHBondContact O-N 2.94Å
78	Y	96.3	Very high	93.2	Very high	32 Å²	32	59.6 Å²	59.6	13%	0.125	34%	0.341	C	S	.	.			trans	-78.6	110.6	173.3	-177.4	-120.7	0	0	0	110.2	H101 D114 L117 M129 K131	Y78-H101 PolarHBondContact OH-ND1 3.29Å; Y78-D114 HydrophobicContact CE1-CB 3.96Å; Y78-D114 WeakPolarHBondContact CE1-OD1 3.4Å; Y78-D114 PolarHBondContact OH-OD1 2.93Å; Y78-L117 HydrophobicContact CD2-CB 3.95Å; Y78-L117 HydrophobicContact CE2-CB 3.77Å; Y78-L117 HydrophobicContact CE2-CD1 3.75Å; Y78-L117 HydrophobicContact CE2-CG 4.4Å; Y78-L117 HydrophobicContact CG-CB 4.4Å; Y78-M129 HydrophobicContact CD2-CB 4.09Å; Y78-K131 HydrophobicContact CE1-CB 4.49Å; Y78-K131 HydrophobicContact CE1-CD 3.79Å; Y78-K131 HydrophobicContact CE1-CG 4.24Å; Y78-K131 HydrophobicContact CE2-CB 4.05Å; Y78-K131 HydrophobicContact CE2-CG 4.43Å; Y78-K131 WeakPolarHBondContact OH-CB 3.38Å
79	S	94.9	Very high	93.2	Very high	39 Å²	39	59.9 Å²	59.9	27%	0.273	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	150.9	-172.7	51.2	0	0	0	0	112.8	V77 V130 K131	V77-S79 PolarHBondContact O-N 2.94Å; S79-V130 CarbonylContact O-C 3.55Å; S79-V130 VanDerWaalsContact O-CA 3.31Å; S79-V130 WeakPolarHBondContact O-CA 3.34Å; S79-K131 PolarHBondContact O-N 3.06Å
80	E	95.6	Very high	93.2	Very high	80 Å²	80	55.7 Å²	55.7	37%	0.374	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	129.9	173.5	-175.5	179.6	155.7	0	0	110.6	Y103 K131 K136	E80-Y103 HydrophobicContact CG-CE1 4.43Å; E80-Y103 PolarHBondContact OE1-OH 3.3Å; E80-Y103 PolarHBondContact OE2-OH 3Å; E80-Y103 VanDerWaalsContact OE2-OH 3.13Å; E80-K131 CarbonylContact C-O 3.56Å; E80-K131 WeakPolarHBondContact CA-O 3.23Å; E80-K131 HydrophobicContact CB-CG 3.95Å; E80-K131 HydrophobicContact CG-CG 4.22Å; E80-K136 IonicContact OE1-NZ 2.78Å; E80-K136 PolarHBondContact OE1-NZ 2.86Å
81	L	95.1	Very high	93.1	Very high	13 Å²	13	54.7 Å²	54.7	7%	0.068	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	126.1	171.3	-60.5	178.2	0	0	0	109.4	D86 F87 V130 K131	L81-D86 HydrophobicContact CB-CB 4.33Å; L81-D86 HydrophobicContact CD2-CB 3.89Å; L81-F87 HydrophobicContact CD1-CB 3.99Å; L81-F87 HydrophobicContact CD1-CD2 4.43Å; L81-V130 HydrophobicContact CD1-CB 3.95Å; L81-V130 HydrophobicContact CD1-CG1 4.31Å; L81-V130 HydrophobicContact CD1-CG2 3.77Å; L81-V130 HydrophobicContact CD2-CG1 4.22Å; L81-V130 HydrophobicContact CG-CB 3.98Å; L81-V130 HydrophobicContact CG-CG1 4.21Å; L81-V130 HydrophobicContact CG-CG2 4.37Å; L81-K131 PolarHBondContact N-O 3.07Å
82	S	90.8	Very high	93.1	Very high	92 Å²	92	57.5 Å²	57.5	64%	0.643	33%	0.327	S	S	*	.			trans	-81.7	-34.5	-178.4	-65.8	0	0	0	0	112.2
83	S	91.7	Very high	93.1	Very high	49 Å²	49	55.4 Å²	55.4	34%	0.343	31%	0.305	S	S	.	.	S	Bend	trans	-122.4	153	-177.2	-171.5	0	0	0	0	112.5	K85 D86	S83-K85 PolarHBondContact O-N 3.35Å; S83-K85 PolarHBondContact OG-N 3.03Å; S83-D86 WeakPolarHBondContact CB-OD2 3.49Å; S83-D86 PolarHBondContact N-OD2 3.27Å; S83-D86 VanDerWaalsContact N-OD2 3.09Å; S83-D86 WeakPolarHBondContact O-CB 3.29Å; S83-D86 PolarHBondContact O-N 3Å; S83-D86 VanDerWaalsContact O-N 3.13Å
84	E	92.2	Very high	93.1	Very high	41 Å²	41	52.3 Å²	52.3	19%	0.192	29%	0.289	C	S	.	.	H	α-helix	trans	-60.9	-28.1	169.3	-58.3	-178.7	142.9	0	0	112.5	D86 F87 F88 A137 F139 L140	E84-D86 VanDerWaalsContact C-N 3.29Å; E84-D86 PolarHBondContact O-N 3.11Å; E84-F87 WeakPolarHBondContact O-CB 3.07Å; E84-F87 PolarHBondContact O-N 3.06Å; E84-F88 WeakPolarHBondContact O-CD2 3.46Å; E84-F88 PolarHBondContact O-N 2.8Å; E84-A137 HydrophobicContact CG-CB 3.72Å; E84-A137 WeakPolarHBondContact OE1-CA 3.11Å; E84-F139 WeakPolarHBondContact OE1-CA 3.17Å; E84-F139 VanDerWaalsContact OE1-CB 3.3Å; E84-F139 WeakPolarHBondContact OE1-CB 3.34Å; E84-F139 PolarHBondContact OE1-N 3.41Å; E84-F139 WeakPolarHBondContact OE2-CB 3.42Å; E84-L140 HydrophobicContact CB-CD1 3.9Å; E84-L140 HydrophobicContact CB-CG 4.09Å; E84-L140 HydrophobicContact CG-CD1 3.94Å; E84-L140 HydrophobicContact CG-CG 4.03Å; E84-L140 PolarHBondContact OE1-N 3.23Å; E84-L140 VanDerWaalsContact OE1-N 3.11Å
85	K	93.1	Very high	92.9	Very high	161 Å²	161	54.7 Å²	54.7	70%	0.7	30%	0.301	S	S	*	.	H	α-helix	trans	-62.9	-39.7	175	-67.1	-177.1	-179.2	-179.9	0	111.2	S83 F87 F88 T89	S83-K85 PolarHBondContact O-N 3.35Å; S83-K85 PolarHBondContact OG-N 3.03Å; K85-F87 PolarHBondContact O-N 3.04Å; K85-F88 PolarHBondContact O-N 2.98Å; K85-F88 VanDerWaalsContact O-N 3.14Å; K85-T89 PolarHBondContact O-N 3.28Å; K85-T89 PolarHBondContact O-OG1 3.12Å
86	D	93.7	Very high	92.8	Very high	66 Å²	66	57.1 Å²	57.1	35%	0.353	31%	0.311	S	S	.	.	H	α-helix	trans	-66.3	-32	-179.1	-51.9	-30.1	0	0	0	111	L81 S83 E84 T89 A90	L81-D86 HydrophobicContact CB-CB 4.33Å; L81-D86 HydrophobicContact CD2-CB 3.89Å; S83-D86 WeakPolarHBondContact CB-OD2 3.49Å; S83-D86 PolarHBondContact N-OD2 3.27Å; S83-D86 VanDerWaalsContact N-OD2 3.09Å; S83-D86 WeakPolarHBondContact O-CB 3.29Å; S83-D86 PolarHBondContact O-N 3Å; S83-D86 VanDerWaalsContact O-N 3.13Å; E84-D86 VanDerWaalsContact C-N 3.29Å; E84-D86 PolarHBondContact O-N 3.11Å; D86-T89 PolarHBondContact O-N 2.92Å; D86-A90 VanDerWaalsContact O-CB 3.26Å; D86-A90 WeakPolarHBondContact O-CB 3.42Å; D86-A90 PolarHBondContact O-N 3.43Å
87	F	93.5	Very high	92.9	Very high	10 Å²	10	56.5 Å²	56.5	4%	0.044	31%	0.305	C	S	.	.	H	α-helix	trans	-61.7	-44.2	172.8	172.3	-94.7	0	0	0	111.9	L81 E84 K85 A90 C91 L98 C100 L140 V155	L81-F87 HydrophobicContact CD1-CB 3.99Å; L81-F87 HydrophobicContact CD1-CD2 4.43Å; E84-F87 WeakPolarHBondContact O-CB 3.07Å; E84-F87 PolarHBondContact O-N 3.06Å; K85-F87 PolarHBondContact O-N 3.04Å; F87-A90 PolarHBondContact O-N 2.94Å; F87-C91 VanDerWaalsContact CZ-SG 3.59Å; F87-C91 PolarHBondContact O-N 2.97Å; F87-C91 PolarHBondContact O-SG 3.16Å; F87-L98 HydrophobicContact CD2-CD2 4.46Å; F87-L98 HydrophobicContact CE2-CD2 3.92Å; F87-C100 HydrophobicContact CD2-CB 4.16Å; F87-C100 HydrophobicContact CE2-CB 3.66Å; F87-L140 HydrophobicContact CB-CD1 3.75Å; F87-L140 HydrophobicContact CD1-CD1 3.75Å; F87-L140 HydrophobicContact CD1-CD2 3.63Å; F87-L140 HydrophobicContact CD1-CG 4.38Å; F87-L140 HydrophobicContact CD2-CD1 4.47Å; F87-L140 HydrophobicContact CE1-CD2 3.87Å; F87-L140 HydrophobicContact CG-CD1 3.73Å; F87-L140 HydrophobicContact CG-CD2 4.44Å; F87-V155 HydrophobicContact CZ-CG2 4.33Å
88	F	93.1	Very high	92.9	Very high	76 Å²	76	51.9 Å²	51.9	33%	0.333	28%	0.277	S	S	.	.	H	α-helix	trans	-67.8	-38.8	176.6	-66.3	-67.7	0	0	0	112	E84 K85 C91 K92 F139 L140	E84-F88 WeakPolarHBondContact O-CD2 3.46Å; E84-F88 PolarHBondContact O-N 2.8Å; K85-F88 PolarHBondContact O-N 2.98Å; K85-F88 VanDerWaalsContact O-N 3.14Å; F88-C91 PolarHBondContact O-N 3.44Å; F88-K92 WeakPolarHBondContact O-CG 3.37Å; F88-K92 PolarHBondContact O-N 3.3Å; F88-K92 VanDerWaalsContact O-N 3.12Å; F88-F139 HydrophobicContact CE2-CE1 4.23Å; F88-F139 AromaticContact CZ-CE1 3.98Å; F88-F139 HydrophobicContact CZ-CE1 3.98Å; F88-L140 HydrophobicContact CE1-CD2 4.32Å; F88-L140 HydrophobicContact CE2-CD2 3.98Å; F88-L140 HydrophobicContact CZ-CD2 3.6Å
89	T	93.5	Very high	92.9	Very high	82 Å²	82	50.4 Å²	50.4	50%	0.503	27%	0.271	S	S	.	.	H	α-helix	trans	-61.6	-46.8	173.8	-57.3	0	0	0	0	110.9	K85 D86 C91 K92 T93	K85-T89 PolarHBondContact O-N 3.28Å; K85-T89 PolarHBondContact O-OG1 3.12Å; D86-T89 PolarHBondContact O-N 2.92Å; T89-C91 PolarHBondContact O-N 3.27Å; T89-K92 PolarHBondContact O-N 3.27Å; T89-K92 VanDerWaalsContact O-N 3.16Å; T89-T93 HydrophobicContact CG2-CG2 4.34Å; T89-T93 WeakPolarHBondContact O-CG2 3.36Å; T89-T93 PolarHBondContact O-N 3.15Å; T89-T93 PolarHBondContact O-OG1 2.85Å; T89-T93 VanDerWaalsContact O-OG1 3.11Å
90	A	93.3	Very high	93	Very high	2 Å²	2	48.5 Å²	48.5	2%	0.017	26%	0.258	C	S	.	.	H	α-helix	trans	-58.8	-47.4	177.3	0	0	0	0	0	111	D86 F87 K92 T93 S94 L98	D86-A90 VanDerWaalsContact O-CB 3.26Å; D86-A90 WeakPolarHBondContact O-CB 3.42Å; D86-A90 PolarHBondContact O-N 3.43Å; F87-A90 PolarHBondContact O-N 2.94Å; A90-K92 VanDerWaalsContact C-N 3.27Å; A90-K92 PolarHBondContact O-N 3.03Å; A90-T93 WeakPolarHBondContact CA-OG1 3.48Å; A90-T93 PolarHBondContact O-N 3.02Å; A90-T93 PolarHBondContact O-OG1 3.26Å; A90-S94 WeakPolarHBondContact O-CB 3.45Å; A90-S94 PolarHBondContact O-N 3.09Å; A90-S94 PolarHBondContact O-OG 2.86Å; A90-S94 VanDerWaalsContact O-OG 3.06Å; A90-L98 HydrophobicContact CB-CD1 3.51Å
91	C	92.7	Very high	93.1	Very high	13 Å²	13	44.7 Å²	44.7	9%	0.088	24%	0.241	C	C	.	.	H	α-helix	trans	-56	-38.4	176	-68.6	0	0	0	0	113.5	F87 F88 T89 V155	F87-C91 VanDerWaalsContact CZ-SG 3.59Å; F87-C91 PolarHBondContact O-N 2.97Å; F87-C91 PolarHBondContact O-SG 3.16Å; F88-C91 PolarHBondContact O-N 3.44Å; T89-C91 PolarHBondContact O-N 3.27Å; C91-V155 HydrophobicContact CB-CG1 4.5Å
92	K	92.3	Very high	93.1	Very high	148 Å²	148	44.1 Å²	44.1	64%	0.643	24%	0.237	S	C	*	.	H	α-helix	trans	-75.1	-40.2	179.7	-71.9	177.2	177	-174.1	0	112.7	F88 T89 A90 S94	F88-K92 WeakPolarHBondContact O-CG 3.37Å; F88-K92 PolarHBondContact O-N 3.3Å; F88-K92 VanDerWaalsContact O-N 3.12Å; T89-K92 PolarHBondContact O-N 3.27Å; T89-K92 VanDerWaalsContact O-N 3.16Å; A90-K92 VanDerWaalsContact C-N 3.27Å; A90-K92 PolarHBondContact O-N 3.03Å; K92-S94 VanDerWaalsContact C-N 3.35Å
93	T	92.3	Very high	93.4	Very high	44 Å²	44	40.1 Å²	40.1	27%	0.27	21%	0.208	S	C	.	.	H	α-helix	trans	-74.3	-26.7	-179.1	55.5	0	0	0	0	113	L73 T89 A90 S95 R128	L73-T93 HydrophobicContact CD2-CG2 4.15Å; T89-T93 HydrophobicContact CG2-CG2 4.34Å; T89-T93 WeakPolarHBondContact O-CG2 3.36Å; T89-T93 PolarHBondContact O-N 3.15Å; T89-T93 PolarHBondContact O-OG1 2.85Å; T89-T93 VanDerWaalsContact O-OG1 3.11Å; A90-T93 WeakPolarHBondContact CA-OG1 3.48Å; A90-T93 PolarHBondContact O-N 3.02Å; A90-T93 PolarHBondContact O-OG1 3.26Å; T93-S95 PolarHBondContact O-N 2.87Å; T93-R128 PolarHBondContact OG1-NH1 2.82Å
94	S	90.4	Very high	93.6	Very high	6 Å²	6	42.4 Å²	42.4	4%	0.042	21%	0.209	C	C	.	.			trans	-87.4	97.5	-177	-63	0	0	0	0	111.3	H75 A90 K92 R128	H75-S94 PolarHBondContact NE2-OG 3.39Å; A90-S94 WeakPolarHBondContact O-CB 3.45Å; A90-S94 PolarHBondContact O-N 3.09Å; A90-S94 PolarHBondContact O-OG 2.86Å; A90-S94 VanDerWaalsContact O-OG 3.06Å; K92-S94 VanDerWaalsContact C-N 3.35Å; S94-R128 WeakPolarHBondContact OG-CB 3.22Å; S94-R128 WeakPolarHBondContact OG-CD 3.26Å
95	S	86.6	Confident	93.6	Very high	80 Å²	80	45.7 Å²	45.7	56%	0.559	23%	0.228	S	C	*	.	S	Bend	trans	-69.7	-36.6	-176.6	52	0	0	0	0	114.2	T93	T93-S95 PolarHBondContact O-N 2.87Å
96	F	91.5	Very high	93.5	Very high	53 Å²	53	42.6 Å²	42.6	23%	0.232	23%	0.227	C	C	.	.	S	Bend	trans	-87.9	-48.6	-175.1	-170.3	-92	0	0	0	113	E126 V190 K192	F96-E126 HydrophobicContact CB-CB 4.36Å; F96-E126 WeakPolarHBondContact CB-O 3.29Å; F96-E126 HydrophobicContact CD1-CB 4.15Å; F96-E126 HydrophobicContact CD1-CG 3.64Å; F96-E126 HydrophobicContact CE1-CG 3.84Å; F96-E126 HydrophobicContact CG-CB 4.16Å; F96-E126 HydrophobicContact CG-CG 4.13Å; F96-E126 HydrophobicContact CZ-CG 4.47Å; F96-V190 VanDerWaalsContact CD1-O 3.29Å; F96-V190 WeakPolarHBondContact CD1-O 3.45Å; F96-V190 WeakPolarHBondContact CE1-O 3.3Å; F96-K192 HydrophobicContact CE1-CG 4.12Å; F96-K192 HydrophobicContact CE2-CG 4.02Å; F96-K192 HydrophobicContact CZ-CD 4.49Å; F96-K192 HydrophobicContact CZ-CG 3.53Å
97	G	93.7	Very high	93.4	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.01	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.1	157.2	-179.4	0	0	0	0	0	112.5	R128 V155	G97-R128 PolarHBondContact O-N 3.14Å; G97-V155 CarbonylContact C-O 3.59Å; G97-V155 WeakPolarHBondContact CA-O 3.11Å
98	L	95.5	Very high	93.4	Very high	2 Å²	2	47.3 Å²	47.3	1%	0.01	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	132.3	175.5	176	130.8	0	0	0	110.3	F87 A90 C100 R128 V130 V155	F87-L98 HydrophobicContact CD2-CD2 4.46Å; F87-L98 HydrophobicContact CE2-CD2 3.92Å; A90-L98 HydrophobicContact CB-CD1 3.51Å; L98-C100 HydrophobicContact CD2-CB 4.02Å; L98-R128 CarbonylContact C-O 3.39Å; L98-R128 VanDerWaalsContact CA-O 3.3Å; L98-R128 WeakPolarHBondContact CA-O 3.3Å; L98-R128 HydrophobicContact CD1-CB 4.08Å; L98-R128 HydrophobicContact CD1-CG 4.01Å; L98-V130 HydrophobicContact CD1-CG2 4.13Å; L98-V130 HydrophobicContact CD2-CG2 4.36Å; L98-V130 HydrophobicContact CG-CG2 4.29Å; L98-V155 HydrophobicContact CB-CB 4.28Å; L98-V155 HydrophobicContact CD2-CB 4.23Å; L98-V155 HydrophobicContact CD2-CG2 4.11Å; L98-V155 PolarHBondContact N-O 3.37Å; L98-V155 PolarHBondContact O-N 3.48Å
99	V	96.7	Very high	93.4	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	117.8	173.1	-178.2	0	0	0	0	108	L117 R128 M129 V130 L154 L185 V190	V99-L117 HydrophobicContact CG1-CD2 4.12Å; V99-R128 PolarHBondContact N-O 3.11Å; V99-M129 HydrophobicContact CB-CG 4.34Å; V99-V130 PolarHBondContact O-N 2.95Å; V99-L154 HydrophobicContact CB-CD2 4.36Å; V99-L154 HydrophobicContact CG1-CD2 3.93Å; V99-L154 HydrophobicContact CG2-CD2 3.94Å; V99-L185 HydrophobicContact CG1-CD2 4.03Å; V99-L185 HydrophobicContact CG2-CD1 4.35Å; V99-L185 HydrophobicContact CG2-CD2 3.83Å; V99-V190 HydrophobicContact CG2-CG2 4.01Å
100	C	96.3	Very high	93.5	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	116.6	178.3	-174.2	0	0	0	0	110.9	F87 L98 F102 V130 I132 L152 I153	F87-C100 HydrophobicContact CD2-CB 4.16Å; F87-C100 HydrophobicContact CE2-CB 3.66Å; L98-C100 HydrophobicContact CD2-CB 4.02Å; C100-F102 HydrophobicContact CB-CE2 4.19Å; C100-V130 WeakPolarHBondContact CA-O 3.4Å; C100-V130 HydrophobicContact CB-CG2 4.05Å; C100-I132 VanDerWaalsContact SG-CG2 3.6Å; C100-L152 WeakPolarHBondContact O-CA 3.42Å; C100-I153 PolarHBondContact N-O 3.35Å; C100-I153 PolarHBondContact O-N 2.98Å
101	H	96.9	Very high	93.6	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	113	173.9	178.2	-153.3	0	0	0	110.9	Y78 C110 D114 L117 V130 K131 I132 P150 L152	Y78-H101 PolarHBondContact OH-ND1 3.29Å; H101-C110 PolarHBondContact CE1-O 2.85Å; H101-D114 IonicContact CE1-OD1 3.33Å; H101-D114 PolarHBondContact CE1-OD1 3.34Å; H101-D114 IonicContact ND1-OD1 3.03Å; H101-D114 PolarHBondContact ND1-OD1 3.25Å; H101-L117 HydrophobicContact CB-CD1 3.8Å; H101-V130 PolarHBondContact N-O 3.38Å; H101-K131 HydrophobicContact CB-CB 4.09Å; H101-K131 CarbonylContact O-C 3.56Å; H101-K131 VanDerWaalsContact O-CA 3.27Å; H101-K131 WeakPolarHBondContact O-CA 3.39Å; H101-I132 PolarHBondContact O-N 3.03Å; H101-P150 WeakPolarHBondContact NE2-CB 3.3Å; H101-L152 HydrophobicContact CB-CD2 3.49Å; H101-L152 VanDerWaalsContact CB-CD2 3.49Å
102	F	96.6	Very high	93.7	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	110.7	170	-72.2	-97.1	0	0	0	109	C100 I132 L140 T141 L144 I146 T151 I153	C100-F102 HydrophobicContact CB-CE2 4.19Å; F102-I132 WeakPolarHBondContact CA-O 3.25Å; F102-I132 HydrophobicContact CD1-CG2 3.42Å; F102-I132 VanDerWaalsContact CD1-CG2 3.42Å; F102-I132 HydrophobicContact CD2-CG2 4.29Å; F102-I132 HydrophobicContact CE1-CG2 3.41Å; F102-I132 VanDerWaalsContact CE1-CG2 3.41Å; F102-I132 HydrophobicContact CE2-CG2 4.27Å; F102-I132 HydrophobicContact CG-CG2 3.89Å; F102-I132 HydrophobicContact CZ-CG2 3.85Å; F102-L140 HydrophobicContact CE1-CB 3.96Å; F102-L140 HydrophobicContact CZ-CB 4.24Å; F102-T141 HydrophobicContact CD1-CG2 4.05Å; F102-T141 HydrophobicContact CE1-CG2 4.36Å; F102-L144 HydrophobicContact CE2-CD1 4.1Å; F102-L144 HydrophobicContact CZ-CD1 3.74Å; F102-I146 HydrophobicContact CB-CD1 4.01Å; F102-I146 HydrophobicContact CB-CG2 4.37Å; F102-I146 HydrophobicContact CD1-CD1 3.36Å; F102-I146 HydrophobicContact CD2-CD1 3.37Å; F102-I146 HydrophobicContact CE1-CD1 3.53Å; F102-I146 HydrophobicContact CE2-CD1 3.55Å; F102-I146 HydrophobicContact CG-CD1 3.28Å; F102-I146 HydrophobicContact CZ-CD1 3.62Å; F102-T151 PolarHBondContact N-O 3.32Å; F102-T151 PolarHBondContact O-N 2.7Å; F102-I153 HydrophobicContact CD2-CG1 3.83Å; F102-I153 HydrophobicContact CE2-CB 4.05Å; F102-I153 HydrophobicContact CE2-CG1 3.57Å
103	Y	96	Very high	93.8	Very high	8 Å²	8	45.7 Å²	45.7	3%	0.031	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	165.8	-173	82.6	-82.4	0	0	0	112.2	E80 D105 K131 I132 N133 A134	E80-Y103 HydrophobicContact CG-CE1 4.43Å; E80-Y103 PolarHBondContact OE1-OH 3.3Å; E80-Y103 PolarHBondContact OE2-OH 3Å; E80-Y103 VanDerWaalsContact OE2-OH 3.13Å; Y103-D105 WeakPolarHBondContact CE2-OD1 3.39Å; Y103-K131 HydrophobicContact CD1-CB 3.85Å; Y103-K131 HydrophobicContact CD1-CD 3.96Å; Y103-K131 HydrophobicContact CD1-CG 4.16Å; Y103-K131 HydrophobicContact CE1-CB 4.06Å; Y103-K131 HydrophobicContact CE1-CD 3.74Å; Y103-K131 HydrophobicContact CE1-CG 3.89Å; Y103-I132 VanDerWaalsContact CD1-C 3.41Å; Y103-I132 WeakPolarHBondContact CD1-O 3.39Å; Y103-I132 PolarHBondContact N-O 2.85Å; Y103-N133 HydrophobicContact CE1-CB 3.95Å; Y103-N133 VanDerWaalsContact CE1-N 3.3Å; Y103-N133 HydrophobicContact CE2-CB 4.47Å; Y103-N133 WeakPolarHBondContact O-CA 3.14Å; Y103-A134 PolarHBondContact O-N 2.86Å
104	R	95	Very high	94	Very high	97 Å²	97	45.1 Å²	45.1	37%	0.366	23%	0.225	S	C	.	.			trans	-139.3	137.1	168.2	-173	-176.7	-70	179	-2.5	108.9	S106 T107 E135 I149	R104-S106 WeakPolarHBondContact CD-OG 3.32Å; R104-S106 WeakPolarHBondContact CG-OG 3.31Å; R104-S106 PolarHBondContact O-N 3.13Å; R104-T107 PolarHBondContact O-N 3.47Å; R104-T107 VanDerWaalsContact O-N 3.1Å; R104-E135 WeakPolarHBondContact CD-OE1 3.47Å; R104-E135 HydrophobicContact CG-CG 4.41Å; R104-E135 WeakPolarHBondContact CG-OE1 3.4Å; R104-E135 IonicContact CZ-OE1 3.53Å; R104-E135 IonicContact NE-OE1 3.01Å; R104-E135 PolarHBondContact NE-OE1 3.18Å; R104-I149 HydrophobicContact CB-CD1 4.16Å; R104-I149 HydrophobicContact CB-CG2 4.19Å
105	D	92.2	Very high	94.2	Very high	111 Å²	111	51.7 Å²	51.7	59%	0.594	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-28.6	-175.8	-66.6	-56.4	0	0	0	113.5	Y103 T107 N133	Y103-D105 WeakPolarHBondContact CE2-OD1 3.39Å; D105-T107 PolarHBondContact O-N 3.48Å; D105-N133 PolarHBondContact OD2-ND2 3.41Å
106	S	92.1	Very high	94.6	Very high	95 Å²	95	48.9 Å²	48.9	66%	0.664	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-17.9	178.1	65.2	0	0	0	0	114	R104	R104-S106 WeakPolarHBondContact CD-OG 3.32Å; R104-S106 WeakPolarHBondContact CG-OG 3.31Å; R104-S106 PolarHBondContact O-N 3.13Å
107	T	91.6	Very high	94.9	Very high	37 Å²	37	46.4 Å²	46.4	23%	0.227	22%	0.22	C	C	.	.			trans	-103.3	107.2	-169.3	-58.4	0	0	0	0	110.5	R104 D105 R109 C110	R104-T107 PolarHBondContact O-N 3.47Å; R104-T107 VanDerWaalsContact O-N 3.1Å; D105-T107 PolarHBondContact O-N 3.48Å; T107-R109 HydrophobicContact CG2-CB 4.19Å; T107-R109 PolarHBondContact O-N 3.05Å; T107-R109 VanDerWaalsContact O-N 3.17Å; T107-C110 WeakPolarHBondContact O-CB 3.48Å; T107-C110 PolarHBondContact O-N 3.48Å
108	F	93.2	Very high	95	Very high	138 Å²	138	49.4 Å²	49.4	61%	0.605	24%	0.24	S	C	*	.	H	α-helix	trans	-53.9	-38.2	-178.8	176.8	-103.6	0	0	0	113.6	C110 K111 I112	F108-C110 PolarHBondContact O-N 2.85Å; F108-C110 VanDerWaalsContact O-N 3.11Å; F108-K111 HydrophobicContact CD2-CD 4.31Å; F108-K111 WeakPolarHBondContact O-CB 3.33Å; F108-K111 PolarHBondContact O-N 3.36Å; F108-I112 HydrophobicContact CD1-CD1 4.26Å; F108-I112 HydrophobicContact CE1-CD1 3.88Å; F108-I112 HydrophobicContact CE1-CG1 4.19Å
109	R	93.5	Very high	95	Very high	124 Å²	124	53.2 Å²	53.2	47%	0.468	26%	0.261	S	S	.	.	H	α-helix	trans	-57.1	-27	178.5	-70.1	-171	175.2	103.7	8.1	113.8	T107 K111 I112 L113 P150 F167 D174	T107-R109 HydrophobicContact CG2-CB 4.19Å; T107-R109 PolarHBondContact O-N 3.05Å; T107-R109 VanDerWaalsContact O-N 3.17Å; R109-K111 VanDerWaalsContact C-N 3.28Å; R109-K111 PolarHBondContact O-N 2.91Å; R109-I112 WeakPolarHBondContact O-CB 3.48Å; R109-I112 PolarHBondContact O-N 3.43Å; R109-L113 PolarHBondContact O-N 3.11Å; R109-P150 HydrophobicContact CB-CG 4.16Å; R109-F167 HydrophobicContact CB-CE1 4.39Å; R109-F167 HydrophobicContact CB-CE2 3.81Å; R109-F167 HydrophobicContact CB-CZ 3.59Å; R109-F167 HydrophobicContact CG-CD2 4.42Å; R109-F167 HydrophobicContact CG-CE2 3.67Å; R109-F167 HydrophobicContact CG-CZ 4.01Å; R109-F167 WeakPolarHBondContact O-CZ 3.23Å; R109-D174 IonicContact CZ-OD1 3.7Å; R109-D174 IonicContact NE-OD1 2.86Å; R109-D174 PolarHBondContact NE-OD1 3.37Å; R109-D174 IonicContact NE-OD2 3.89Å; R109-D174 IonicContact NH2-OD1 3.64Å; R109-D174 IonicContact NH2-OD2 3.74Å
110	C	95.2	Very high	95	Very high	3 Å²	3	53.2 Å²	53.2	2%	0.02	26%	0.261	C	S	.	.	H	α-helix	trans	-63.6	-36	174.5	-59.6	0	0	0	0	112	H101 T107 F108 I112 L113 D114 I149	H101-C110 PolarHBondContact CE1-O 2.85Å; T107-C110 WeakPolarHBondContact O-CB 3.48Å; T107-C110 PolarHBondContact O-N 3.48Å; F108-C110 PolarHBondContact O-N 2.85Å; F108-C110 VanDerWaalsContact O-N 3.11Å; C110-I112 PolarHBondContact O-N 3.15Å; C110-L113 PolarHBondContact O-N 3.16Å; C110-D114 PolarHBondContact O-N 3.18Å; C110-I149 VanDerWaalsContact SG-CG2 3.56Å
111	K	94.9	Very high	94.9	Very high	134 Å²	134	53.3 Å²	53.3	58%	0.583	26%	0.261	S	S	*	.	H	α-helix	trans	-65.5	-30.9	-179.8	-60.4	-175.8	178.1	-179.1	0	112.1	F108 R109 K115	F108-K111 HydrophobicContact CD2-CD 4.31Å; F108-K111 WeakPolarHBondContact O-CB 3.33Å; F108-K111 PolarHBondContact O-N 3.36Å; R109-K111 VanDerWaalsContact C-N 3.28Å; R109-K111 PolarHBondContact O-N 2.91Å; K111-K115 PolarHBondContact O-N 3.17Å
112	I	94.8	Very high	94.8	Very high	25 Å²	25	56.7 Å²	56.7	13%	0.128	29%	0.285	C	S	.	.	H	α-helix	trans	-65.3	-50.3	176.3	-59.3	172.2	0	0	0	109.3	F108 R109 C110 D114 K115 H116 F167 D174 F176	F108-I112 HydrophobicContact CD1-CD1 4.26Å; F108-I112 HydrophobicContact CE1-CD1 3.88Å; F108-I112 HydrophobicContact CE1-CG1 4.19Å; R109-I112 WeakPolarHBondContact O-CB 3.48Å; R109-I112 PolarHBondContact O-N 3.43Å; C110-I112 PolarHBondContact O-N 3.15Å; I112-D114 VanDerWaalsContact C-N 3.35Å; I112-D114 PolarHBondContact O-N 2.83Å; I112-K115 WeakPolarHBondContact O-CB 3.37Å; I112-K115 PolarHBondContact O-N 2.91Å; I112-H116 PolarHBondContact O-CD2 3.23Å; I112-H116 PolarHBondContact O-N 3.49Å; I112-F167 HydrophobicContact CB-CZ 4.1Å; I112-F167 HydrophobicContact CD1-CE2 3.93Å; I112-F167 HydrophobicContact CD1-CZ 4.22Å; I112-F167 HydrophobicContact CG2-CZ 4.28Å; I112-D174 HydrophobicContact CD1-CB 3.75Å; I112-F176 HydrophobicContact CG2-CE1 4.02Å; I112-F176 HydrophobicContact CG2-CZ 4.12Å
113	L	95.4	Very high	94.7	Very high	2 Å²	2	62.9 Å²	62.9	1%	0.01	31%	0.312	C	S	.	.	H	α-helix	trans	-62.3	-40.1	176.3	-80.3	171.7	0	0	0	112.8	R109 C110 K115 H116 L117 P150 L152 F167 L170 F176 L181	R109-L113 PolarHBondContact O-N 3.11Å; C110-L113 PolarHBondContact O-N 3.16Å; L113-K115 PolarHBondContact O-N 3.1Å; L113-H116 PolarHBondContact O-N 3.26Å; L113-H116 VanDerWaalsContact O-N 3.17Å; L113-L117 WeakPolarHBondContact O-CB 3.4Å; L113-L117 WeakPolarHBondContact O-CG 3.41Å; L113-L117 PolarHBondContact O-N 3.46Å; L113-P150 HydrophobicContact CD1-CB 3.56Å; L113-P150 HydrophobicContact CD1-CG 3.71Å; L113-L152 HydrophobicContact CD1-CD2 4.16Å; L113-L152 HydrophobicContact CD1-CG 4.29Å; L113-L152 HydrophobicContact CD2-CD1 4.1Å; L113-F167 HydrophobicContact CD1-CE1 3.92Å; L113-F167 HydrophobicContact CD2-CE1 4.49Å; L113-F167 HydrophobicContact CG-CE1 3.85Å; L113-L170 HydrophobicContact CD2-CD1 4.27Å; L113-F176 HydrophobicContact CD2-CZ 3.9Å; L113-L181 HydrophobicContact CD2-CD1 4.2Å; L113-L181 HydrophobicContact CD2-CD2 3.93Å
114	D	95.7	Very high	94.6	Very high	31 Å²	31	63.1 Å²	63.1	17%	0.166	31%	0.313	C	S	.	.	H	α-helix	trans	-55.1	-42	176	-82.4	8.3	0	0	0	111.6	Y78 H101 C110 I112 S118 K131	Y78-D114 HydrophobicContact CE1-CB 3.96Å; Y78-D114 WeakPolarHBondContact CE1-OD1 3.4Å; Y78-D114 PolarHBondContact OH-OD1 2.93Å; H101-D114 IonicContact CE1-OD1 3.33Å; H101-D114 PolarHBondContact CE1-OD1 3.34Å; H101-D114 IonicContact ND1-OD1 3.03Å; H101-D114 PolarHBondContact ND1-OD1 3.25Å; C110-D114 PolarHBondContact O-N 3.18Å; I112-D114 VanDerWaalsContact C-N 3.35Å; I112-D114 PolarHBondContact O-N 2.83Å; D114-S118 VanDerWaalsContact O-CB 3.27Å; D114-S118 WeakPolarHBondContact O-CB 3.38Å; D114-S118 PolarHBondContact O-N 3.49Å; D114-K131 IonicContact OD2-NZ 3.17Å; D114-K131 PolarHBondContact OD2-NZ 3.44Å
115	K	95.3	Very high	94.6	Very high	145 Å²	145	58.9 Å²	58.9	63%	0.63	30%	0.298	S	S	*	.	H	α-helix	trans	-62.9	-48.9	176.5	-176.7	-176.2	176.5	-175.7	0	111.9	K111 I112 L113 L119	K111-K115 PolarHBondContact O-N 3.17Å; I112-K115 WeakPolarHBondContact O-CB 3.37Å; I112-K115 PolarHBondContact O-N 2.91Å; L113-K115 PolarHBondContact O-N 3.1Å; K115-L119 WeakPolarHBondContact O-CG 3.45Å; K115-L119 PolarHBondContact O-N 2.85Å
116	H	95.6	Very high	94.6	Very high	20 Å²	20	54.4 Å²	54.4	9%	0.093	27%	0.273	C	S	.	.	H	α-helix	trans	-69.5	-42	-178	-65.4	-73.2	0	0	0	112.2	I112 L113 S118 L119 L120 F176 T178 L181	I112-H116 PolarHBondContact O-CD2 3.23Å; I112-H116 PolarHBondContact O-N 3.49Å; L113-H116 PolarHBondContact O-N 3.26Å; L113-H116 VanDerWaalsContact O-N 3.17Å; H116-S118 VanDerWaalsContact C-N 3.34Å; H116-S118 PolarHBondContact O-N 3.5Å; H116-L119 PolarHBondContact O-N 2.84Å; H116-L120 WeakPolarHBondContact O-CG 3.28Å; H116-L120 PolarHBondContact O-N 2.92Å; H116-F176 AromaticContact CD2-CE2 3.54Å; H116-F176 AromaticContact CD2-CZ 3.74Å; H116-F176 PolarHBondContact CE1-O 2.86Å; H116-F176 VanDerWaalsContact CE1-O 3.28Å; H116-F176 AromaticContact NE2-CE2 3.85Å; H116-T178 PolarHBondContact ND1-OG1 2.84Å; H116-L181 HydrophobicContact CB-CD2 3.59Å
117	L	96.6	Very high	94.7	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-65.3	-36.9	177.5	-71	173.6	0	0	0	111.9	Y78 V99 H101 L113 L119 L120 A121 M129 L152 L181 L185	Y78-L117 HydrophobicContact CD2-CB 3.95Å; Y78-L117 HydrophobicContact CE2-CB 3.77Å; Y78-L117 HydrophobicContact CE2-CD1 3.75Å; Y78-L117 HydrophobicContact CE2-CG 4.4Å; Y78-L117 HydrophobicContact CG-CB 4.4Å; V99-L117 HydrophobicContact CG1-CD2 4.12Å; H101-L117 HydrophobicContact CB-CD1 3.8Å; L113-L117 WeakPolarHBondContact O-CB 3.4Å; L113-L117 WeakPolarHBondContact O-CG 3.41Å; L113-L117 PolarHBondContact O-N 3.46Å; L117-L119 VanDerWaalsContact C-N 3.27Å; L117-L119 PolarHBondContact O-N 3.34Å; L117-L120 PolarHBondContact O-N 2.97Å; L117-A121 VanDerWaalsContact O-CB 3.29Å; L117-A121 WeakPolarHBondContact O-CB 3.47Å; L117-A121 PolarHBondContact O-N 2.8Å; L117-M129 HydrophobicContact CD2-SD 3.94Å; L117-L152 HydrophobicContact CD1-CD2 3.94Å; L117-L181 HydrophobicContact CD2-CD2 4.12Å; L117-L181 HydrophobicContact CG-CD2 4.32Å; L117-L185 HydrophobicContact CD2-CD1 4.49Å
118	S	96	Very high	94.9	Very high	64 Å²	64	49.9 Å²	49.9	45%	0.448	24%	0.237	S	C	.	.	H	α-helix	trans	-62	-35.5	173.5	-173.6	0	0	0	0	112.7	D114 H116	D114-S118 VanDerWaalsContact O-CB 3.27Å; D114-S118 WeakPolarHBondContact O-CB 3.38Å; D114-S118 PolarHBondContact O-N 3.49Å; H116-S118 VanDerWaalsContact C-N 3.34Å; H116-S118 PolarHBondContact O-N 3.5Å
119	L	95.8	Very high	95.1	Very high	83 Å²	83	43.4 Å²	43.4	44%	0.435	21%	0.209	S	C	.	.	H	α-helix	trans	-75	-33.7	176	-68.5	171.5	0	0	0	112.4	K115 H116 L117 S122 T178	K115-L119 WeakPolarHBondContact O-CG 3.45Å; K115-L119 PolarHBondContact O-N 2.85Å; H116-L119 PolarHBondContact O-N 2.84Å; L117-L119 VanDerWaalsContact C-N 3.27Å; L117-L119 PolarHBondContact O-N 3.34Å; L119-S122 PolarHBondContact O-OG 2.8Å; L119-S122 VanDerWaalsContact O-OG 3.11Å; L119-T178 HydrophobicContact CB-CG2 4.41Å
120	L	95.8	Very high	95.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-79.2	-31.6	179.7	-70	175.4	0	0	0	112.6	H116 L117 S122 K123 H124 M129 T178 L181 E182 L185	H116-L120 WeakPolarHBondContact O-CG 3.28Å; H116-L120 PolarHBondContact O-N 2.92Å; L117-L120 PolarHBondContact O-N 2.97Å; L120-S122 VanDerWaalsContact C-N 3.28Å; L120-S122 PolarHBondContact O-N 3.11Å; L120-K123 PolarHBondContact O-N 2.9Å; L120-K123 VanDerWaalsContact O-N 3.12Å; L120-H124 PolarHBondContact O-N 2.91Å; L120-M129 HydrophobicContact CB-CE 3.74Å; L120-M129 HydrophobicContact CB-SD 3.77Å; L120-T178 HydrophobicContact CD1-CG2 4.26Å; L120-T178 HydrophobicContact CD2-CG2 3.71Å; L120-T178 HydrophobicContact CG-CG2 3.74Å; L120-L181 HydrophobicContact CD1-CB 4.29Å; L120-L181 HydrophobicContact CD1-CD2 3.88Å; L120-L181 HydrophobicContact CD1-CG 3.92Å; L120-E182 HydrophobicContact CD1-CB 4.4Å; L120-E182 HydrophobicContact CD2-CB 3.83Å; L120-E182 HydrophobicContact CD2-CG 3.86Å; L120-L185 HydrophobicContact CD1-CD1 4.03Å
121	A	95.6	Very high	95.3	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.008	19%	0.194	C	C	.	.	H	α-helix	trans	-57.9	-42.6	178.6	0	0	0	0	0	111.4	G76 L117 K123 M129	G76-A121 CarbonylContact C-O 3.57Å; G76-A121 WeakPolarHBondContact CA-O 3.27Å; G76-A121 CarbonylContact O-C 3.57Å; L117-A121 VanDerWaalsContact O-CB 3.29Å; L117-A121 WeakPolarHBondContact O-CB 3.47Å; L117-A121 PolarHBondContact O-N 2.8Å; A121-K123 VanDerWaalsContact C-N 3.33Å; A121-K123 PolarHBondContact O-N 3.4Å; A121-M129 HydrophobicContact CB-CB 4.14Å; A121-M129 HydrophobicContact CB-CG 4.34Å; A121-M129 HydrophobicContact CB-SD 4.09Å; A121-M129 PolarHBondContact N-SD 3.35Å
122	S	93.8	Very high	95.3	Very high	72 Å²	72	32.9 Å²	32.9	50%	0.503	17%	0.167	S	C	.	.	H	α-helix	trans	-71.6	-27	179.2	61.3	0	0	0	0	113.5	G76 L119 L120	G76-S122 WeakPolarHBondContact O-CA 3.47Å; G76-S122 PolarHBondContact O-N 3.17Å; L119-S122 PolarHBondContact O-OG 2.8Å; L119-S122 VanDerWaalsContact O-OG 3.11Å; L120-S122 VanDerWaalsContact C-N 3.28Å; L120-S122 PolarHBondContact O-N 3.11Å
123	K	94.5	Very high	95.3	Very high	129 Å²	129	32 Å²	32	56%	0.561	16%	0.162	S	C	*	.	H	α-helix	trans	-79	-42.2	176.9	-68.7	-178.2	177.9	-172.3	0	112.5	L120 A121	L120-K123 PolarHBondContact O-N 2.9Å; L120-K123 VanDerWaalsContact O-N 3.12Å; A121-K123 VanDerWaalsContact C-N 3.33Å; A121-K123 PolarHBondContact O-N 3.4Å
124	H	94.4	Very high	95.3	Very high	13 Å²	13	32.3 Å²	32.3	6%	0.06	17%	0.165	C	C	.	.			trans	-110.3	74.2	-173.2	-64.3	-72.3	0	0	0	111.6	L120 E126 C127 M129 E182 I191 K192	L120-H124 PolarHBondContact O-N 2.91Å; H124-E126 VanDerWaalsContact C-OE2 3.28Å; H124-E126 VanDerWaalsContact CA-OE2 3.3Å; H124-E126 WeakPolarHBondContact CA-OE2 3.4Å; H124-E126 WeakPolarHBondContact CB-OE1 3.38Å; H124-E126 IonicContact CG-OE1 2.7Å; H124-E126 IonicContact ND1-OE1 3.1Å; H124-E126 PolarHBondContact ND1-OE1 3.34Å; H124-E126 PolarHBondContact O-N 3.12Å; H124-C127 HydrophobicContact CB-CB 4.3Å; H124-C127 PolarHBondContact O-N 2.83Å; H124-M129 HydrophobicContact CB-CE 4.22Å; H124-E182 IonicContact CE1-OE1 2.97Å; H124-E182 IonicContact NE2-OE1 3.27Å; H124-E182 PolarHBondContact NE2-OE1 3.46Å; H124-I191 HydrophobicContact CB-CG2 4.23Å; H124-K192 PolarHBondContact CE1-O 3.13Å; H124-K192 PolarHBondContact ND1-O 3.38Å
125	I	94	Very high	95.1	Very high	9 Å²	9	36.6 Å²	36.6	5%	0.046	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-23	-179.6	-67.1	157.4	0	0	0	111.6	R67 W70 L71 H75 C127	R67-I125 HydrophobicContact CG-CG2 4.45Å; R67-I125 VanDerWaalsContact NH1-CD1 3.34Å; W70-I125 HydrophobicContact CB-CG2 3.71Å; W70-I125 HydrophobicContact CE3-CG2 4.14Å; L71-I125 HydrophobicContact CD2-CD1 4.43Å; L71-I125 HydrophobicContact CD2-CG2 4.22Å; L71-I125 HydrophobicContact CG-CG2 4.22Å; H75-I125 HydrophobicContact CB-CG2 4.14Å; H75-I125 WeakPolarHBondContact CB-O 3.31Å; H75-I125 PolarHBondContact ND1-O 3.38Å; I125-C127 PolarHBondContact O-N 3.24Å
126	E	92.9	Very high	95	Very high	16 Å²	16	35.5 Å²	35.5	8%	0.075	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-28.3	172.4	72	-78.6	-173.7	0	0	112.5	W70 F96 H124 K192	W70-E126 HydrophobicContact CE3-CB 4.23Å; W70-E126 HydrophobicContact CH2-CB 3.76Å; W70-E126 HydrophobicContact CZ2-CB 4.05Å; W70-E126 HydrophobicContact CZ3-CB 3.84Å; F96-E126 HydrophobicContact CB-CB 4.36Å; F96-E126 WeakPolarHBondContact CB-O 3.29Å; F96-E126 HydrophobicContact CD1-CB 4.15Å; F96-E126 HydrophobicContact CD1-CG 3.64Å; F96-E126 HydrophobicContact CE1-CG 3.84Å; F96-E126 HydrophobicContact CG-CB 4.16Å; F96-E126 HydrophobicContact CG-CG 4.13Å; F96-E126 HydrophobicContact CZ-CG 4.47Å; H124-E126 VanDerWaalsContact C-OE2 3.28Å; H124-E126 VanDerWaalsContact CA-OE2 3.3Å; H124-E126 WeakPolarHBondContact CA-OE2 3.4Å; H124-E126 WeakPolarHBondContact CB-OE1 3.38Å; H124-E126 IonicContact CG-OE1 2.7Å; H124-E126 IonicContact ND1-OE1 3.1Å; H124-E126 PolarHBondContact ND1-OE1 3.34Å; H124-E126 PolarHBondContact O-N 3.12Å; E126-K192 HydrophobicContact CG-CB 4.46Å; E126-K192 HydrophobicContact CG-CD 4.15Å; E126-K192 HydrophobicContact CG-CG 4.02Å; E126-K192 WeakPolarHBondContact OE1-CB 3.14Å; E126-K192 PolarHBondContact OE1-N 3.33Å
127	C	95.1	Very high	94.8	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	127.4	-175.8	-167.8	0	0	0	0	111.1	H124 I125 M129 V190 I191	H124-C127 HydrophobicContact CB-CB 4.3Å; H124-C127 PolarHBondContact O-N 2.83Å; I125-C127 PolarHBondContact O-N 3.24Å; C127-M129 HydrophobicContact CB-CE 4.43Å; C127-M129 PolarHBondContact O-N 2.86Å; C127-V190 WeakPolarHBondContact CB-O 3.1Å; C127-V190 PolarHBondContact SG-O 2.96Å; C127-I191 HydrophobicContact CB-CG2 3.76Å
128	R	95	Very high	94.6	Very high	37 Å²	37	38.5 Å²	38.5	14%	0.14	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	118.5	176.9	-173.8	168.2	-175.7	152.9	10.5	110.2	L73 T93 S94 G97 L98 V99 V130	L73-R128 VanDerWaalsContact O-CZ 3.23Å; L73-R128 PolarHBondContact O-NH1 3.38Å; L73-R128 PolarHBondContact O-NH2 3.32Å; T93-R128 PolarHBondContact OG1-NH1 2.82Å; S94-R128 WeakPolarHBondContact OG-CB 3.22Å; S94-R128 WeakPolarHBondContact OG-CD 3.26Å; G97-R128 PolarHBondContact O-N 3.14Å; L98-R128 CarbonylContact C-O 3.39Å; L98-R128 VanDerWaalsContact CA-O 3.3Å; L98-R128 WeakPolarHBondContact CA-O 3.3Å; L98-R128 HydrophobicContact CD1-CB 4.08Å; L98-R128 HydrophobicContact CD1-CG 4.01Å; V99-R128 PolarHBondContact N-O 3.11Å; R128-V130 HydrophobicContact CG-CG1 4.02Å
129	M	96.6	Very high	94.5	Very high	3 Å²	3	40.4 Å²	40.4	2%	0.015	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	121.1	178.1	-57.2	-167.4	-176.8	0	0	110.2	Y78 V99 L117 L120 A121 H124 C127 L185 I191	Y78-M129 HydrophobicContact CD2-CB 4.09Å; V99-M129 HydrophobicContact CB-CG 4.34Å; L117-M129 HydrophobicContact CD2-SD 3.94Å; L120-M129 HydrophobicContact CB-CE 3.74Å; L120-M129 HydrophobicContact CB-SD 3.77Å; A121-M129 HydrophobicContact CB-CB 4.14Å; A121-M129 HydrophobicContact CB-CG 4.34Å; A121-M129 HydrophobicContact CB-SD 4.09Å; A121-M129 PolarHBondContact N-SD 3.35Å; H124-M129 HydrophobicContact CB-CE 4.22Å; C127-M129 HydrophobicContact CB-CE 4.43Å; C127-M129 PolarHBondContact O-N 2.86Å; M129-L185 HydrophobicContact CE-CD1 4.25Å; M129-I191 HydrophobicContact CE-CG2 4.21Å
130	V	96.3	Very high	94.3	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	159.3	-176	-67.9	0	0	0	0	110.8	S79 L81 L98 V99 C100 H101 R128	S79-V130 CarbonylContact O-C 3.55Å; S79-V130 VanDerWaalsContact O-CA 3.31Å; S79-V130 WeakPolarHBondContact O-CA 3.34Å; L81-V130 HydrophobicContact CD1-CB 3.95Å; L81-V130 HydrophobicContact CD1-CG1 4.31Å; L81-V130 HydrophobicContact CD1-CG2 3.77Å; L81-V130 HydrophobicContact CD2-CG1 4.22Å; L81-V130 HydrophobicContact CG-CB 3.98Å; L81-V130 HydrophobicContact CG-CG1 4.21Å; L81-V130 HydrophobicContact CG-CG2 4.37Å; L98-V130 HydrophobicContact CD1-CG2 4.13Å; L98-V130 HydrophobicContact CD2-CG2 4.36Å; L98-V130 HydrophobicContact CG-CG2 4.29Å; V99-V130 PolarHBondContact O-N 2.95Å; C100-V130 WeakPolarHBondContact CA-O 3.4Å; C100-V130 HydrophobicContact CB-CG2 4.05Å; H101-V130 PolarHBondContact N-O 3.38Å; R128-V130 HydrophobicContact CG-CG1 4.02Å
131	K	96.5	Very high	94.2	Very high	38 Å²	38	37.7 Å²	37.7	17%	0.165	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	151.8	169.2	64.6	173.9	176.4	175.1	0	112.4	Y78 S79 E80 L81 H101 Y103 D114	Y78-K131 HydrophobicContact CE1-CB 4.49Å; Y78-K131 HydrophobicContact CE1-CD 3.79Å; Y78-K131 HydrophobicContact CE1-CG 4.24Å; Y78-K131 HydrophobicContact CE2-CB 4.05Å; Y78-K131 HydrophobicContact CE2-CG 4.43Å; Y78-K131 WeakPolarHBondContact OH-CB 3.38Å; S79-K131 PolarHBondContact O-N 3.06Å; E80-K131 CarbonylContact C-O 3.56Å; E80-K131 WeakPolarHBondContact CA-O 3.23Å; E80-K131 HydrophobicContact CB-CG 3.95Å; E80-K131 HydrophobicContact CG-CG 4.22Å; L81-K131 PolarHBondContact N-O 3.07Å; H101-K131 HydrophobicContact CB-CB 4.09Å; H101-K131 CarbonylContact O-C 3.56Å; H101-K131 VanDerWaalsContact O-CA 3.27Å; H101-K131 WeakPolarHBondContact O-CA 3.39Å; Y103-K131 HydrophobicContact CD1-CB 3.85Å; Y103-K131 HydrophobicContact CD1-CD 3.96Å; Y103-K131 HydrophobicContact CD1-CG 4.16Å; Y103-K131 HydrophobicContact CE1-CB 4.06Å; Y103-K131 HydrophobicContact CE1-CD 3.74Å; Y103-K131 HydrophobicContact CE1-CG 3.89Å; D114-K131 IonicContact OD2-NZ 3.17Å; D114-K131 PolarHBondContact OD2-NZ 3.44Å
132	I	96	Very high	94.2	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.01	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	134	176.7	-167.1	166.9	0	0	0	109.6	C100 H101 F102 Y103 A134 A137 L140	C100-I132 VanDerWaalsContact SG-CG2 3.6Å; H101-I132 PolarHBondContact O-N 3.03Å; F102-I132 WeakPolarHBondContact CA-O 3.25Å; F102-I132 HydrophobicContact CD1-CG2 3.42Å; F102-I132 VanDerWaalsContact CD1-CG2 3.42Å; F102-I132 HydrophobicContact CD2-CG2 4.29Å; F102-I132 HydrophobicContact CE1-CG2 3.41Å; F102-I132 VanDerWaalsContact CE1-CG2 3.41Å; F102-I132 HydrophobicContact CE2-CG2 4.27Å; F102-I132 HydrophobicContact CG-CG2 3.89Å; F102-I132 HydrophobicContact CZ-CG2 3.85Å; Y103-I132 VanDerWaalsContact CD1-C 3.41Å; Y103-I132 WeakPolarHBondContact CD1-O 3.39Å; Y103-I132 PolarHBondContact N-O 2.85Å; I132-A134 PolarHBondContact O-N 2.92Å; I132-A137 HydrophobicContact CD1-CB 3.61Å; I132-A137 HydrophobicContact CG1-CB 3.92Å; I132-L140 HydrophobicContact CD1-CD1 3.75Å
133	N	95.5	Very high	94.2	Very high	6 Å²	6	50.1 Å²	50.1	3%	0.032	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	120	176.3	-174.4	-34.5	0	0	0	108.6	Y103 D105 E135 K136 A137	Y103-N133 HydrophobicContact CE1-CB 3.95Å; Y103-N133 VanDerWaalsContact CE1-N 3.3Å; Y103-N133 HydrophobicContact CE2-CB 4.47Å; Y103-N133 WeakPolarHBondContact O-CA 3.14Å; D105-N133 PolarHBondContact OD2-ND2 3.41Å; N133-E135 PolarHBondContact O-N 3.32Å; N133-E135 WeakPolarHBondContact OD1-CB 3.33Å; N133-E135 PolarHBondContact OD1-N 3.42Å; N133-K136 HydrophobicContact CB-CB 4.27Å; N133-K136 HydrophobicContact CB-CD 4.03Å; N133-K136 HydrophobicContact CB-CG 4.01Å; N133-K136 PolarHBondContact O-N 2.94Å; N133-K136 VanDerWaalsContact O-N 3.07Å; N133-A137 PolarHBondContact O-N 3.34Å
134	A	94.1	Very high	94.1	Very high	9 Å²	9	45.3 Å²	45.3	7%	0.074	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-29.3	-177.9	0	0	0	0	0	113	Y103 I132 A137 T141 I149	Y103-A134 PolarHBondContact O-N 2.86Å; I132-A134 PolarHBondContact O-N 2.92Å; A134-A137 PolarHBondContact O-N 2.93Å; A134-T141 HydrophobicContact CB-CG2 3.79Å; A134-T141 WeakPolarHBondContact O-CG2 3.44Å; A134-I149 HydrophobicContact CB-CD1 3.42Å; A134-I149 VanDerWaalsContact CB-CD1 3.42Å
135	E	92.1	Very high	94.1	Very high	120 Å²	120	50.6 Å²	50.6	56%	0.561	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74	-31.5	177.9	-60.6	-178.1	169.4	0	0	112.4	R104 N133 A137	R104-E135 WeakPolarHBondContact CD-OE1 3.47Å; R104-E135 HydrophobicContact CG-CG 4.41Å; R104-E135 WeakPolarHBondContact CG-OE1 3.4Å; R104-E135 IonicContact CZ-OE1 3.53Å; R104-E135 IonicContact NE-OE1 3.01Å; R104-E135 PolarHBondContact NE-OE1 3.18Å; N133-E135 PolarHBondContact O-N 3.32Å; N133-E135 WeakPolarHBondContact OD1-CB 3.33Å; N133-E135 PolarHBondContact OD1-N 3.42Å; E135-A137 VanDerWaalsContact C-N 3.3Å
136	K	92	Very high	94	Very high	122 Å²	122	51 Å²	51	53%	0.53	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-13.7	176.1	-62	-177.7	-171.7	167.1	0	112.8	E80 N133 P138	E80-K136 IonicContact OE1-NZ 2.78Å; E80-K136 PolarHBondContact OE1-NZ 2.86Å; N133-K136 HydrophobicContact CB-CB 4.27Å; N133-K136 HydrophobicContact CB-CD 4.03Å; N133-K136 HydrophobicContact CB-CG 4.01Å; N133-K136 PolarHBondContact O-N 2.94Å; N133-K136 VanDerWaalsContact O-N 3.07Å; K136-P138 WeakPolarHBondContact O-CD 3.44Å
137	A	92.3	Very high	94	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	28%	0.277	C	S	.	.			trans	-124.7	60.6	-173.3	0	0	0	0	0	113.4	E84 I132 N133 A134 E135 F139 L140 T141	E84-A137 HydrophobicContact CG-CB 3.72Å; E84-A137 WeakPolarHBondContact OE1-CA 3.11Å; I132-A137 HydrophobicContact CD1-CB 3.61Å; I132-A137 HydrophobicContact CG1-CB 3.92Å; N133-A137 PolarHBondContact O-N 3.34Å; A134-A137 PolarHBondContact O-N 2.93Å; E135-A137 VanDerWaalsContact C-N 3.3Å; A137-F139 VanDerWaalsContact C-N 3.32Å; A137-F139 PolarHBondContact O-N 3.46Å; A137-L140 HydrophobicContact CB-CB 4.29Å; A137-L140 HydrophobicContact CB-CD1 4.33Å; A137-L140 PolarHBondContact O-N 3.3Å; A137-T141 WeakPolarHBondContact O-CG2 3.27Å; A137-T141 PolarHBondContact O-N 3.3Å; A137-T141 PolarHBondContact O-OG1 2.78Å
138	P	93.1	Very high	93.9	Very high	84 Å²	84	61.9 Å²	61.9	55%	0.545	30%	0.3	S	S	.	.	H	α-helix	trans	-65.6	-30.1	-176.5	27.8	-35.6	0	0	0	113.7	K136 T141 K142	K136-P138 WeakPolarHBondContact O-CD 3.44Å; P138-T141 VanDerWaalsContact CA-OG1 3.25Å; P138-T141 WeakPolarHBondContact CA-OG1 3.35Å; P138-T141 PolarHBondContact O-OG1 3.43Å; P138-T141 VanDerWaalsContact O-OG1 3.06Å; P138-K142 VanDerWaalsContact O-CB 3.23Å; P138-K142 WeakPolarHBondContact O-CB 3.41Å; P138-K142 PolarHBondContact O-N 3.22Å
139	F	93.4	Very high	93.8	Very high	104 Å²	104	61.9 Å²	61.9	46%	0.456	30%	0.302	S	S	.	.	H	α-helix	trans	-73.9	-41.5	178.7	168.3	-96	0	0	0	110.7	E84 F88 A137 R143	E84-F139 WeakPolarHBondContact OE1-CA 3.17Å; E84-F139 VanDerWaalsContact OE1-CB 3.3Å; E84-F139 WeakPolarHBondContact OE1-CB 3.34Å; E84-F139 PolarHBondContact OE1-N 3.41Å; E84-F139 WeakPolarHBondContact OE2-CB 3.42Å; F88-F139 HydrophobicContact CE2-CE1 4.23Å; F88-F139 AromaticContact CZ-CE1 3.98Å; F88-F139 HydrophobicContact CZ-CE1 3.98Å; A137-F139 VanDerWaalsContact C-N 3.32Å; A137-F139 PolarHBondContact O-N 3.46Å; F139-R143 WeakPolarHBondContact O-CB 3.34Å; F139-R143 PolarHBondContact O-N 3.01Å
140	L	92.4	Very high	93.7	Very high	2 Å²	2	61.9 Å²	61.9	1%	0.01	30%	0.302	C	S	.	.	H	α-helix	trans	-66.1	-45.6	175.6	-71.9	176.3	0	0	0	112	E84 F87 F88 F102 I132 A137 K142 R143 L144	E84-L140 HydrophobicContact CB-CD1 3.9Å; E84-L140 HydrophobicContact CB-CG 4.09Å; E84-L140 HydrophobicContact CG-CD1 3.94Å; E84-L140 HydrophobicContact CG-CG 4.03Å; E84-L140 PolarHBondContact OE1-N 3.23Å; E84-L140 VanDerWaalsContact OE1-N 3.11Å; F87-L140 HydrophobicContact CB-CD1 3.75Å; F87-L140 HydrophobicContact CD1-CD1 3.75Å; F87-L140 HydrophobicContact CD1-CD2 3.63Å; F87-L140 HydrophobicContact CD1-CG 4.38Å; F87-L140 HydrophobicContact CD2-CD1 4.47Å; F87-L140 HydrophobicContact CE1-CD2 3.87Å; F87-L140 HydrophobicContact CG-CD1 3.73Å; F87-L140 HydrophobicContact CG-CD2 4.44Å; F88-L140 HydrophobicContact CE1-CD2 4.32Å; F88-L140 HydrophobicContact CE2-CD2 3.98Å; F88-L140 HydrophobicContact CZ-CD2 3.6Å; F102-L140 HydrophobicContact CE1-CB 3.96Å; F102-L140 HydrophobicContact CZ-CB 4.24Å; I132-L140 HydrophobicContact CD1-CD1 3.75Å; A137-L140 HydrophobicContact CB-CB 4.29Å; A137-L140 HydrophobicContact CB-CD1 4.33Å; A137-L140 PolarHBondContact O-N 3.3Å; L140-K142 VanDerWaalsContact C-N 3.33Å; L140-K142 PolarHBondContact O-N 2.69Å; L140-R143 PolarHBondContact O-N 2.72Å; L140-L144 VanDerWaalsContact O-CB 3.25Å; L140-L144 WeakPolarHBondContact O-CB 3.27Å; L140-L144 WeakPolarHBondContact O-CG 3.41Å; L140-L144 PolarHBondContact O-N 3.08Å
141	T	93.7	Very high	93.7	Very high	24 Å²	24	62 Å²	62	15%	0.147	30%	0.303	C	S	.	.	H	α-helix	trans	-61.8	-41.2	178.7	50.3	0	0	0	0	111.8	F102 A134 A137 P138 N145 I146	F102-T141 HydrophobicContact CD1-CG2 4.05Å; F102-T141 HydrophobicContact CE1-CG2 4.36Å; A134-T141 HydrophobicContact CB-CG2 3.79Å; A134-T141 WeakPolarHBondContact O-CG2 3.44Å; A137-T141 WeakPolarHBondContact O-CG2 3.27Å; A137-T141 PolarHBondContact O-N 3.3Å; A137-T141 PolarHBondContact O-OG1 2.78Å; P138-T141 VanDerWaalsContact CA-OG1 3.25Å; P138-T141 WeakPolarHBondContact CA-OG1 3.35Å; P138-T141 PolarHBondContact O-OG1 3.43Å; P138-T141 VanDerWaalsContact O-OG1 3.06Å; T141-N145 WeakPolarHBondContact O-CA 3.44Å; T141-N145 PolarHBondContact O-N 3.48Å; T141-N145 VanDerWaalsContact O-N 3.08Å; T141-I146 HydrophobicContact CG2-CB 4.36Å; T141-I146 HydrophobicContact CG2-CD1 4.45Å; T141-I146 PolarHBondContact O-N 2.92Å
142	K	94.6	Very high	93.7	Very high	170 Å²	170	60.2 Å²	60.2	74%	0.739	30%	0.295	S	S	*	.	H	α-helix	trans	-68.1	-45.4	174.2	-172.6	175.2	-178.5	177.4	0	112.4	P138 L140 L144 N145	P138-K142 VanDerWaalsContact O-CB 3.23Å; P138-K142 WeakPolarHBondContact O-CB 3.41Å; P138-K142 PolarHBondContact O-N 3.22Å; L140-K142 VanDerWaalsContact C-N 3.33Å; L140-K142 PolarHBondContact O-N 2.69Å; K142-L144 VanDerWaalsContact C-N 3.34Å; K142-L144 PolarHBondContact O-N 3.47Å; K142-N145 PolarHBondContact O-N 2.7Å; K142-N145 PolarHBondContact O-OD1 2.98Å
143	R	93.3	Very high	93.7	Very high	164 Å²	164	60.1 Å²	60.1	62%	0.619	30%	0.295	S	S	*	.	H	α-helix	trans	-67.1	-35	-178.2	-178.2	172.7	178.6	163.4	0.2	112.6	F139 L140	F139-R143 WeakPolarHBondContact O-CB 3.34Å; F139-R143 PolarHBondContact O-N 3.01Å; L140-R143 PolarHBondContact O-N 2.72Å
144	L	92.9	Very high	93.7	Very high	29 Å²	29	59.8 Å²	59.8	15%	0.152	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	7.8	179.1	-61.4	173.6	0	0	0	112.5	F102 L140 K142 I146 I153 V160 R163	F102-L144 HydrophobicContact CE2-CD1 4.1Å; F102-L144 HydrophobicContact CZ-CD1 3.74Å; L140-L144 VanDerWaalsContact O-CB 3.25Å; L140-L144 WeakPolarHBondContact O-CB 3.27Å; L140-L144 WeakPolarHBondContact O-CG 3.41Å; L140-L144 PolarHBondContact O-N 3.08Å; K142-L144 VanDerWaalsContact C-N 3.34Å; K142-L144 PolarHBondContact O-N 3.47Å; L144-I146 VanDerWaalsContact C-N 3.33Å; L144-I146 HydrophobicContact CB-CD1 4.03Å; L144-I146 HydrophobicContact CB-CG1 3.9Å; L144-I146 HydrophobicContact CD1-CD1 4.4Å; L144-I146 PolarHBondContact O-N 3.39Å; L144-I153 HydrophobicContact CD1-CG1 4.33Å; L144-I153 HydrophobicContact CD1-CG2 4.47Å; L144-V160 HydrophobicContact CD2-CG2 3.86Å; L144-R163 PolarHBondContact O-NH2 2.9Å
145	N	93.6	Very high	93.8	Very high	124 Å²	124	59.6 Å²	59.6	66%	0.663	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	47	50.5	-179.1	-68.8	-17.7	0	0	0	113.4	T141 K142 L147	T141-N145 WeakPolarHBondContact O-CA 3.44Å; T141-N145 PolarHBondContact O-N 3.48Å; T141-N145 VanDerWaalsContact O-N 3.08Å; K142-N145 PolarHBondContact O-N 2.7Å; K142-N145 PolarHBondContact O-OD1 2.98Å; N145-L147 PolarHBondContact O-N 3.19Å
146	I	93.7	Very high	93.9	Very high	18 Å²	18	56.7 Å²	56.7	9%	0.092	28%	0.277	C	S	.	.			trans	-86.1	103.5	179.8	-56.1	179.1	0	0	0	108.5	F102 T141 L144 T151 I153	F102-I146 HydrophobicContact CB-CD1 4.01Å; F102-I146 HydrophobicContact CB-CG2 4.37Å; F102-I146 HydrophobicContact CD1-CD1 3.36Å; F102-I146 HydrophobicContact CD2-CD1 3.37Å; F102-I146 HydrophobicContact CE1-CD1 3.53Å; F102-I146 HydrophobicContact CE2-CD1 3.55Å; F102-I146 HydrophobicContact CG-CD1 3.28Å; F102-I146 HydrophobicContact CZ-CD1 3.62Å; T141-I146 HydrophobicContact CG2-CB 4.36Å; T141-I146 HydrophobicContact CG2-CD1 4.45Å; T141-I146 PolarHBondContact O-N 2.92Å; L144-I146 VanDerWaalsContact C-N 3.33Å; L144-I146 HydrophobicContact CB-CD1 4.03Å; L144-I146 HydrophobicContact CB-CG1 3.9Å; L144-I146 HydrophobicContact CD1-CD1 4.4Å; L144-I146 PolarHBondContact O-N 3.39Å; I146-T151 HydrophobicContact CG2-CG2 4.49Å; I146-I153 HydrophobicContact CD1-CG1 4.29Å
147	L	91.4	Very high	93.8	Very high	164 Å²	164	56.2 Å²	56.2	86%	0.859	28%	0.28	S	S	*	.			trans	-102.2	-34.2	180	-62.5	174.5	0	0	0	112.7	N145	N145-L147 PolarHBondContact O-N 3.19Å
148	V	92.8	Very high	93.6	Very high	80 Å²	80	62.6 Å²	62.6	49%	0.485	31%	0.31	S	S	.	.	S	Bend	trans	-111.3	139.7	-175.5	178.9	0	0	0	0	109.3	T151 V165	V148-T151 PolarHBondContact O-OG1 3.35Å; V148-V165 HydrophobicContact CB-CG1 3.69Å; V148-V165 HydrophobicContact CG1-CG1 3.96Å; V148-V165 HydrophobicContact CG2-CG1 4.3Å
149	I	92.9	Very high	93.6	Very high	36 Å²	36	66 Å²	66	19%	0.185	32%	0.316	C	S	.	.	S	Bend	trans	-125.2	135	178.1	-66.1	177.7	0	0	0	108.2	R104 C110 A134	R104-I149 HydrophobicContact CB-CD1 4.16Å; R104-I149 HydrophobicContact CB-CG2 4.19Å; C110-I149 VanDerWaalsContact SG-CG2 3.56Å; A134-I149 HydrophobicContact CB-CD1 3.42Å; A134-I149 VanDerWaalsContact CB-CD1 3.42Å
150	P	95	Very high	93.6	Very high	3 Å²	3	64.3 Å²	64.3	2%	0.019	31%	0.314	C	S	.	.	S	Bend	cis	-77.3	147.8	4.6	31.2	-34.8	0	0	0	113.6	H101 R109 L113 G166 F167	H101-P150 WeakPolarHBondContact NE2-CB 3.3Å; R109-P150 HydrophobicContact CB-CG 4.16Å; L113-P150 HydrophobicContact CD1-CB 3.56Å; L113-P150 HydrophobicContact CD1-CG 3.71Å; P150-G166 WeakPolarHBondContact O-CA 3.39Å; P150-G166 PolarHBondContact O-N 3.31Å; P150-F167 HydrophobicContact CG-CD1 4.48Å; P150-F167 HydrophobicContact CG-CE1 3.82Å; P150-F167 HydrophobicContact CG-CZ 4.41Å
151	T	95.9	Very high	93.7	Very high	2 Å²	2	67.6 Å²	67.6	1%	0.012	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	132.8	169.3	-72.4	0	0	0	0	109.4	F102 I146 V148 I153 I164 V165	F102-T151 PolarHBondContact N-O 3.32Å; F102-T151 PolarHBondContact O-N 2.7Å; I146-T151 HydrophobicContact CG2-CG2 4.49Å; V148-T151 PolarHBondContact O-OG1 3.35Å; T151-I153 HydrophobicContact CG2-CD1 3.88Å; T151-I153 HydrophobicContact CG2-CG1 4.28Å; T151-I164 CarbonylContact C-O 3.53Å; T151-I164 WeakPolarHBondContact CA-O 3.49Å; T151-V165 HydrophobicContact CG2-CG2 4.4Å
152	L	96.5	Very high	93.7	Very high	1 Å²	1	68.5 Å²	68.5	1%	0.005	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	133	168.5	-55.2	179.9	0	0	0	109.6	C100 H101 L113 L117 L154 R163 I164 L181	C100-L152 WeakPolarHBondContact O-CA 3.42Å; H101-L152 HydrophobicContact CB-CD2 3.49Å; H101-L152 VanDerWaalsContact CB-CD2 3.49Å; L113-L152 HydrophobicContact CD1-CD2 4.16Å; L113-L152 HydrophobicContact CD1-CG 4.29Å; L113-L152 HydrophobicContact CD2-CD1 4.1Å; L117-L152 HydrophobicContact CD1-CD2 3.94Å; L152-L154 HydrophobicContact CB-CD2 4.5Å; L152-R163 WeakPolarHBondContact O-CA 3.35Å; L152-I164 HydrophobicContact CB-CB 4.15Å; L152-I164 HydrophobicContact CB-CD1 4.37Å; L152-I164 HydrophobicContact CD1-CD1 4.02Å; L152-I164 PolarHBondContact N-O 3.13Å; L152-I164 PolarHBondContact O-N 2.96Å; L152-L181 HydrophobicContact CD1-CD1 3.85Å
153	I	96.1	Very high	93.7	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	124.7	172.5	-61.5	-62.7	0	0	0	108.2	C100 F102 L144 I146 T151 V155 V160 R163	C100-I153 PolarHBondContact N-O 3.35Å; C100-I153 PolarHBondContact O-N 2.98Å; F102-I153 HydrophobicContact CD2-CG1 3.83Å; F102-I153 HydrophobicContact CE2-CB 4.05Å; F102-I153 HydrophobicContact CE2-CG1 3.57Å; L144-I153 HydrophobicContact CD1-CG1 4.33Å; L144-I153 HydrophobicContact CD1-CG2 4.47Å; I146-I153 HydrophobicContact CD1-CG1 4.29Å; T151-I153 HydrophobicContact CG2-CD1 3.88Å; T151-I153 HydrophobicContact CG2-CG1 4.28Å; I153-V155 HydrophobicContact CG2-CG2 3.99Å; I153-V160 HydrophobicContact CG2-CB 4.49Å; I153-V160 HydrophobicContact CG2-CG1 3.86Å; I153-V160 HydrophobicContact CG2-CG2 3.88Å; I153-R163 HydrophobicContact CD1-CB 3.96Å; I153-R163 VanDerWaalsContact CD1-NH2 3.34Å
154	L	96.5	Very high	93.8	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	119.9	179.1	-48.7	-166.7	0	0	0	108.6	V99 L152 V160 C161 D162 I164 L185 V190	V99-L154 HydrophobicContact CB-CD2 4.36Å; V99-L154 HydrophobicContact CG1-CD2 3.93Å; V99-L154 HydrophobicContact CG2-CD2 3.94Å; L152-L154 HydrophobicContact CB-CD2 4.5Å; L154-V160 CarbonylContact O-C 3.4Å; L154-V160 WeakPolarHBondContact O-CA 3.36Å; L154-C161 PolarHBondContact O-N 3.29Å; L154-D162 HydrophobicContact CB-CB 4.24Å; L154-D162 HydrophobicContact CD1-CB 4.07Å; L154-D162 HydrophobicContact CG-CB 4.32Å; L154-D162 PolarHBondContact N-O 2.98Å; L154-D162 PolarHBondContact O-N 2.9Å; L154-I164 HydrophobicContact CD1-CD1 4.35Å; L154-I164 HydrophobicContact CD2-CD1 4.49Å; L154-L185 HydrophobicContact CD1-CD2 4.04Å; L154-L185 HydrophobicContact CD2-CD2 3.38Å; L154-L185 HydrophobicContact CG-CD2 4.41Å; L154-V190 HydrophobicContact CB-CG1 3.96Å; L154-V190 HydrophobicContact CB-CG2 4.44Å; L154-V190 HydrophobicContact CD1-CG2 4.09Å; L154-V190 HydrophobicContact CD2-CG2 4.36Å
155	V	95.3	Very high	93.9	Very high	5 Å²	5	57.2 Å²	57.2	3%	0.03	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	134.4	-178.6	-177	0	0	0	0	109.4	F87 C91 G97 L98 I153 K159 V160	F87-V155 HydrophobicContact CZ-CG2 4.33Å; C91-V155 HydrophobicContact CB-CG1 4.5Å; G97-V155 CarbonylContact C-O 3.59Å; G97-V155 WeakPolarHBondContact CA-O 3.11Å; L98-V155 HydrophobicContact CB-CB 4.28Å; L98-V155 HydrophobicContact CD2-CB 4.23Å; L98-V155 HydrophobicContact CD2-CG2 4.11Å; L98-V155 PolarHBondContact N-O 3.37Å; L98-V155 PolarHBondContact O-N 3.48Å; I153-V155 HydrophobicContact CG2-CG2 3.99Å; V155-K159 CarbonylContact C-O 3.58Å; V155-K159 VanDerWaalsContact CA-O 3.31Å; V155-K159 WeakPolarHBondContact CA-O 3.48Å; V155-K159 WeakPolarHBondContact CG1-O 3.18Å; V155-V160 HydrophobicContact CG2-CG2 4.31Å
156	K	93.7	Very high	93.9	Very high	59 Å²	59	51.9 Å²	51.9	26%	0.257	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	135.3	172.2	-172.9	172.4	-173.1	163.2	0	108.9	E158 K159 C161 K189 V190	K156-E158 VanDerWaalsContact C-N 3.27Å; K156-E158 PolarHBondContact O-N 3.46Å; K156-K159 PolarHBondContact N-O 3.32Å; K156-K159 PolarHBondContact O-N 3.27Å; K156-K159 VanDerWaalsContact O-O 3.07Å; K156-C161 WeakPolarHBondContact CB-SG 3.47Å; K156-K189 PolarHBondContact NZ-O 3.29Å; K156-V190 HydrophobicContact CB-CG1 4.5Å
157	N	90.5	Very high	93.9	Very high	112 Å²	112	51.4 Å²	51.4	60%	0.599	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	47.4	-178.2	-56.2	-21.2	0	0	0	112.3	K159	N157-K159 PolarHBondContact O-N 3.17Å
158	E	89	Confident	93.9	Very high	134 Å²	134	50 Å²	50	63%	0.626	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.9	6.6	-178.5	-50.7	-178.3	168.8	0	0	116	K156	K156-E158 VanDerWaalsContact C-N 3.27Å; K156-E158 PolarHBondContact O-N 3.46Å
159	K	92.2	Very high	93.6	Very high	155 Å²	155	50 Å²	50	67%	0.674	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.4	142.4	178.9	-66.1	-179.6	-177.9	178.8	0	110.6	V155 K156 N157 C161	V155-K159 CarbonylContact C-O 3.58Å; V155-K159 VanDerWaalsContact CA-O 3.31Å; V155-K159 WeakPolarHBondContact CA-O 3.48Å; V155-K159 WeakPolarHBondContact CG1-O 3.18Å; K156-K159 PolarHBondContact N-O 3.32Å; K156-K159 PolarHBondContact O-N 3.27Å; K156-K159 VanDerWaalsContact O-O 3.07Å; N157-K159 PolarHBondContact O-N 3.17Å; K159-C161 PolarHBondContact O-N 3.07Å
160	V	94.1	Very high	93.5	Very high	68 Å²	68	48.2 Å²	48.2	41%	0.412	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	115.8	171.6	178.6	0	0	0	0	107.9	L144 I153 L154 V155	L144-V160 HydrophobicContact CD2-CG2 3.86Å; I153-V160 HydrophobicContact CG2-CB 4.49Å; I153-V160 HydrophobicContact CG2-CG1 3.86Å; I153-V160 HydrophobicContact CG2-CG2 3.88Å; L154-V160 CarbonylContact O-C 3.4Å; L154-V160 WeakPolarHBondContact O-CA 3.36Å; V155-V160 HydrophobicContact CG2-CG2 4.31Å
161	C	93.7	Very high	93.1	Very high	71 Å²	71	49.5 Å²	49.5	48%	0.48	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	-39.6	177.9	-73.6	0	0	0	0	111.8	L154 K156 K159	L154-C161 PolarHBondContact O-N 3.29Å; K156-C161 WeakPolarHBondContact CB-SG 3.47Å; K159-C161 PolarHBondContact O-N 3.07Å
162	D	94.5	Very high	92.8	Very high	44 Å²	44	52 Å²	52	24%	0.235	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	164.9	-170.1	-162	4.9	0	0	0	110.9	L154 R184	L154-D162 HydrophobicContact CB-CB 4.24Å; L154-D162 HydrophobicContact CD1-CB 4.07Å; L154-D162 HydrophobicContact CG-CB 4.32Å; L154-D162 PolarHBondContact N-O 2.98Å; L154-D162 PolarHBondContact O-N 2.9Å; D162-R184 VanDerWaalsContact CG-NH2 3.34Å; D162-R184 IonicContact OD1-NH2 2.84Å; D162-R184 PolarHBondContact OD1-NH2 3.2Å; D162-R184 IonicContact OD2-CZ 2.7Å; D162-R184 IonicContact OD2-NH1 3.35Å; D162-R184 PolarHBondContact OD2-NH1 3.06Å; D162-R184 IonicContact OD2-NH2 3.31Å; D162-R184 PolarHBondContact OD2-NH2 2.86Å
163	R	94.9	Very high	92.5	Very high	78 Å²	78	55.8 Å²	55.8	29%	0.294	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	142.5	178.4	55.1	172.4	46.7	-106.9	-4.4	110.4	L144 L152 I153	L144-R163 PolarHBondContact O-NH2 2.9Å; L152-R163 WeakPolarHBondContact O-CA 3.35Å; I153-R163 HydrophobicContact CD1-CB 3.96Å; I153-R163 VanDerWaalsContact CD1-NH2 3.34Å
164	I	95.2	Very high	92.3	Very high	2 Å²	2	58.7 Å²	58.7	1%	0.01	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	115.8	173.2	-56.1	160.7	0	0	0	106.1	T151 L152 L154 E169 L170 R184 L185	T151-I164 CarbonylContact C-O 3.53Å; T151-I164 WeakPolarHBondContact CA-O 3.49Å; L152-I164 HydrophobicContact CB-CB 4.15Å; L152-I164 HydrophobicContact CB-CD1 4.37Å; L152-I164 HydrophobicContact CD1-CD1 4.02Å; L152-I164 PolarHBondContact N-O 3.13Å; L152-I164 PolarHBondContact O-N 2.96Å; L154-I164 HydrophobicContact CD1-CD1 4.35Å; L154-I164 HydrophobicContact CD2-CD1 4.49Å; I164-E169 HydrophobicContact CG2-CB 4.42Å; I164-L170 HydrophobicContact CG2-CD1 4.48Å; I164-L170 HydrophobicContact CG2-CG 4.38Å; I164-R184 HydrophobicContact CD1-CG 3.54Å; I164-R184 HydrophobicContact CG1-CG 3.97Å; I164-L185 HydrophobicContact CD1-CD2 4.19Å
165	V	95.1	Very high	92	Very high	45 Å²	45	67.1 Å²	67.1	27%	0.273	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	121.1	-176.9	-176.8	0	0	0	0	108.7	V148 T151	V148-V165 HydrophobicContact CB-CG1 3.69Å; V148-V165 HydrophobicContact CG1-CG1 3.96Å; V148-V165 HydrophobicContact CG2-CG1 4.3Å; T151-V165 HydrophobicContact CG2-CG2 4.4Å
166	G	92.5	Very high	91.8	Very high	12 Å²	12	67.2 Å²	67.2	12%	0.124	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.6	-145.1	-176.8	0	0	0	0	0	112.3	P150	P150-G166 WeakPolarHBondContact O-CA 3.39Å; P150-G166 PolarHBondContact O-N 3.31Å
167	F	93.2	Very high	91.8	Very high	8 Å²	8	66.3 Å²	66.3	4%	0.035	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.1	5.3	179.4	-62.4	-16.7	0	0	0	113.1	R109 I112 L113 P150 E169 L170 G171 G172 D174 F176	R109-F167 HydrophobicContact CB-CE1 4.39Å; R109-F167 HydrophobicContact CB-CE2 3.81Å; R109-F167 HydrophobicContact CB-CZ 3.59Å; R109-F167 HydrophobicContact CG-CD2 4.42Å; R109-F167 HydrophobicContact CG-CE2 3.67Å; R109-F167 HydrophobicContact CG-CZ 4.01Å; R109-F167 WeakPolarHBondContact O-CZ 3.23Å; I112-F167 HydrophobicContact CB-CZ 4.1Å; I112-F167 HydrophobicContact CD1-CE2 3.93Å; I112-F167 HydrophobicContact CD1-CZ 4.22Å; I112-F167 HydrophobicContact CG2-CZ 4.28Å; L113-F167 HydrophobicContact CD1-CE1 3.92Å; L113-F167 HydrophobicContact CD2-CE1 4.49Å; L113-F167 HydrophobicContact CG-CE1 3.85Å; P150-F167 HydrophobicContact CG-CD1 4.48Å; P150-F167 HydrophobicContact CG-CE1 3.82Å; P150-F167 HydrophobicContact CG-CZ 4.41Å; F167-E169 PolarHBondContact O-N 2.82Å; F167-L170 HydrophobicContact CD1-CD1 4.28Å; F167-L170 CarbonylContact O-C 3.57Å; F167-L170 WeakPolarHBondContact O-CA 3.35Å; F167-L170 PolarHBondContact O-N 2.95Å; F167-G171 PolarHBondContact O-N 3.17Å; F167-G172 WeakPolarHBondContact O-CA 3.25Å; F167-G172 PolarHBondContact O-N 2.87Å; F167-D174 WeakPolarHBondContact CD2-OD1 3.34Å; F167-D174 HydrophobicContact CE2-CB 4.46Å; F167-D174 WeakPolarHBondContact CE2-OD1 3.41Å; F167-F176 AromaticContact CD1-CE1 3.89Å; F167-F176 HydrophobicContact CD1-CE1 3.89Å; F167-F176 HydrophobicContact CD2-CE1 4.18Å; F167-F176 AromaticContact CE1-CE1 3.89Å; F167-F176 HydrophobicContact CE1-CE1 3.89Å; F167-F176 HydrophobicContact CE1-CZ 4.38Å; F167-F176 HydrophobicContact CE2-CE1 4.13Å; F167-F176 HydrophobicContact CG-CE1 4.06Å; F167-F176 AromaticContact CZ-CE1 3.99Å; F167-F176 HydrophobicContact CZ-CE1 3.99Å
168	D	91.4	Very high	91.9	Very high	134 Å²	134	62.4 Å²	62.4	72%	0.717	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-57.7	-40.7	-173.4	-62.2	-13.8	0	0	0	111.1	L170	D168-L170 VanDerWaalsContact C-N 3.33Å
169	E	88.3	Confident	92.1	Very high	80 Å²	80	57.9 Å²	57.9	37%	0.374	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-81.1	-10.4	177.8	-61	177.3	-163.3	0	0	114.1	I164 F167 M180 R184	I164-E169 HydrophobicContact CG2-CB 4.42Å; F167-E169 PolarHBondContact O-N 2.82Å; E169-M180 WeakPolarHBondContact O-CE 3.35Å; E169-R184 IonicContact OE2-CZ 3.58Å; E169-R184 IonicContact OE2-NE 3.26Å; E169-R184 PolarHBondContact OE2-NE 3.34Å; E169-R184 IonicContact OE2-NH2 3.71Å; E169-R184 PolarHBondContact OE2-NH2 3.27Å
170	L	90.7	Very high	92.2	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-101.5	9.1	179.6	-59.4	176.2	0	0	0	112.4	L113 I164 F167 D168 F176 L181 R184	L113-L170 HydrophobicContact CD2-CD1 4.27Å; I164-L170 HydrophobicContact CG2-CD1 4.48Å; I164-L170 HydrophobicContact CG2-CG 4.38Å; F167-L170 HydrophobicContact CD1-CD1 4.28Å; F167-L170 CarbonylContact O-C 3.57Å; F167-L170 WeakPolarHBondContact O-CA 3.35Å; F167-L170 PolarHBondContact O-N 2.95Å; D168-L170 VanDerWaalsContact C-N 3.33Å; L170-F176 HydrophobicContact CB-CB 4.46Å; L170-F176 HydrophobicContact CB-CD1 4.05Å; L170-F176 HydrophobicContact CB-CD2 4.35Å; L170-F176 HydrophobicContact CB-CE1 4.41Å; L170-F176 HydrophobicContact CB-CG 4.02Å; L170-F176 HydrophobicContact CD1-CD1 4.39Å; L170-F176 HydrophobicContact CD1-CD2 4.35Å; L170-F176 HydrophobicContact CD1-CE1 3.95Å; L170-F176 HydrophobicContact CD1-CE2 3.92Å; L170-F176 HydrophobicContact CD1-CZ 3.7Å; L170-F176 VanDerWaalsContact O-CB 3.28Å; L170-F176 WeakPolarHBondContact O-CB 3.28Å; L170-L181 HydrophobicContact CD1-CD1 3.95Å; L170-L181 HydrophobicContact CD2-CB 4.46Å; L170-L181 HydrophobicContact CD2-CD1 3.93Å; L170-R184 HydrophobicContact CD2-CB 3.81Å; L170-R184 HydrophobicContact CD2-CG 3.96Å
171	G	85.7	Confident	92.2	Very high	30 Å²	30	47.6 Å²	47.6	31%	0.309	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	113.9	-3.7	-179.8	0	0	0	0	0	114.6	F167 H173	F167-G171 PolarHBondContact O-N 3.17Å; G171-H173 PolarHBondContact O-CD2 2.86Å; G171-H173 VanDerWaalsContact O-CD2 3.24Å; G171-H173 PolarHBondContact O-N 3.4Å
172	G	89.3	Confident	92.2	Very high	54 Å²	54	45.8 Å²	45.8	56%	0.557	26%	0.26	S	S	*	.	S	Bend	trans	71.3	13.4	176.1	0	0	0	0	0	114.7	F167	F167-G172 WeakPolarHBondContact O-CA 3.25Å; F167-G172 PolarHBondContact O-N 2.87Å
173	H	90.4	Very high	92.2	Very high	80 Å²	80	45.3 Å²	45.3	37%	0.37	26%	0.255	S	S	.	.	S	Bend	trans	-131.5	161.6	178.5	59.8	73.8	0	0	0	111.4	G171 E175 F176	G171-H173 PolarHBondContact O-CD2 2.86Å; G171-H173 VanDerWaalsContact O-CD2 3.24Å; G171-H173 PolarHBondContact O-N 3.4Å; H173-E175 VanDerWaalsContact C-N 3.31Å; H173-E175 PolarHBondContact CE1-O 3.18Å; H173-E175 PolarHBondContact ND1-N 3.49Å; H173-E175 PolarHBondContact ND1-O 3.01Å; H173-E175 PolarHBondContact O-N 3.4Å; H173-F176 PolarHBondContact ND1-N 3.18Å
174	D	91.2	Very high	92.2	Very high	61 Å²	61	42.6 Å²	42.6	33%	0.326	25%	0.245	S	C	.	.	S	Bend	trans	-76.2	-18.6	-175.4	-66.9	-15.8	0	0	0	112.6	R109 I112 F167	R109-D174 IonicContact CZ-OD1 3.7Å; R109-D174 IonicContact NE-OD1 2.86Å; R109-D174 PolarHBondContact NE-OD1 3.37Å; R109-D174 IonicContact NE-OD2 3.89Å; R109-D174 IonicContact NH2-OD1 3.64Å; R109-D174 IonicContact NH2-OD2 3.74Å; I112-D174 HydrophobicContact CD1-CB 3.75Å; F167-D174 WeakPolarHBondContact CD2-OD1 3.34Å; F167-D174 HydrophobicContact CE2-CB 4.46Å; F167-D174 WeakPolarHBondContact CE2-OD1 3.41Å
175	E	90.2	Very high	92.2	Very high	178 Å²	178	42.5 Å²	42.5	83%	0.832	24%	0.244	S	C	*	.			trans	-103.5	51.5	-175.7	-59.7	-169.4	153.7	0	0	114.4	H173	H173-E175 VanDerWaalsContact C-N 3.31Å; H173-E175 PolarHBondContact CE1-O 3.18Å; H173-E175 PolarHBondContact ND1-N 3.49Å; H173-E175 PolarHBondContact ND1-O 3.01Å; H173-E175 PolarHBondContact O-N 3.4Å
176	F	91.6	Very high	92.2	Very high	7 Å²	7	40.6 Å²	40.6	3%	0.031	23%	0.233	C	C	.	.			trans	-82.1	152.9	174.8	62.1	-92.5	0	0	0	112.2	I112 L113 H116 F167 L170 H173 L181	I112-F176 HydrophobicContact CG2-CE1 4.02Å; I112-F176 HydrophobicContact CG2-CZ 4.12Å; L113-F176 HydrophobicContact CD2-CZ 3.9Å; H116-F176 AromaticContact CD2-CE2 3.54Å; H116-F176 AromaticContact CD2-CZ 3.74Å; H116-F176 PolarHBondContact CE1-O 2.86Å; H116-F176 VanDerWaalsContact CE1-O 3.28Å; H116-F176 AromaticContact NE2-CE2 3.85Å; F167-F176 AromaticContact CD1-CE1 3.89Å; F167-F176 HydrophobicContact CD1-CE1 3.89Å; F167-F176 HydrophobicContact CD2-CE1 4.18Å; F167-F176 AromaticContact CE1-CE1 3.89Å; F167-F176 HydrophobicContact CE1-CE1 3.89Å; F167-F176 HydrophobicContact CE1-CZ 4.38Å; F167-F176 HydrophobicContact CE2-CE1 4.13Å; F167-F176 HydrophobicContact CG-CE1 4.06Å; F167-F176 AromaticContact CZ-CE1 3.99Å; F167-F176 HydrophobicContact CZ-CE1 3.99Å; L170-F176 HydrophobicContact CB-CB 4.46Å; L170-F176 HydrophobicContact CB-CD1 4.05Å; L170-F176 HydrophobicContact CB-CD2 4.35Å; L170-F176 HydrophobicContact CB-CE1 4.41Å; L170-F176 HydrophobicContact CB-CG 4.02Å; L170-F176 HydrophobicContact CD1-CD1 4.39Å; L170-F176 HydrophobicContact CD1-CD2 4.35Å; L170-F176 HydrophobicContact CD1-CE1 3.95Å; L170-F176 HydrophobicContact CD1-CE2 3.92Å; L170-F176 HydrophobicContact CD1-CZ 3.7Å; L170-F176 VanDerWaalsContact O-CB 3.28Å; L170-F176 WeakPolarHBondContact O-CB 3.28Å; H173-F176 PolarHBondContact ND1-N 3.18Å; F176-L181 HydrophobicContact CD2-CB 4.4Å; F176-L181 HydrophobicContact CE2-CB 3.99Å; F176-L181 HydrophobicContact CE2-CD2 4.44Å
177	S	93.2	Very high	92.2	Very high	39 Å²	39	42.9 Å²	42.9	27%	0.273	24%	0.244	S	C	.	.			trans	-76.3	152.5	178.7	74.4	0	0	0	0	111.8	A179 M180 L181 D202	S177-A179 PolarHBondContact O-N 3.35Å; S177-M180 WeakPolarHBondContact O-CB 3.4Å; S177-M180 PolarHBondContact O-N 2.63Å; S177-M180 PolarHBondContact OG-N 3.33Å; S177-L181 PolarHBondContact O-N 3.03Å; S177-D202 WeakPolarHBondContact CB-OD1 3.35Å; S177-D202 WeakPolarHBondContact CB-OD2 3.33Å; S177-D202 PolarHBondContact N-OD2 2.86Å; S177-D202 PolarHBondContact OG-OD1 3.29Å; S177-D202 PolarHBondContact OG-OD2 3.43Å
178	T	94.1	Very high	92.1	Very high	31 Å²	31	42.9 Å²	42.9	19%	0.19	25%	0.247	C	C	.	.	H	α-helix	trans	-57.2	-32	172.3	-52.6	0	0	0	0	111.6	H116 L119 L120 M180 L181 E182	H116-T178 PolarHBondContact ND1-OG1 2.84Å; L119-T178 HydrophobicContact CB-CG2 4.41Å; L120-T178 HydrophobicContact CD1-CG2 4.26Å; L120-T178 HydrophobicContact CD2-CG2 3.71Å; L120-T178 HydrophobicContact CG-CG2 3.74Å; T178-M180 VanDerWaalsContact C-N 3.33Å; T178-M180 PolarHBondContact O-N 3.29Å; T178-L181 PolarHBondContact O-N 2.54Å; T178-E182 WeakPolarHBondContact O-CB 3.37Å; T178-E182 PolarHBondContact O-N 3.21Å
179	A	93.3	Very high	92.1	Very high	38 Å²	38	43.2 Å²	43.2	31%	0.314	24%	0.242	S	C	.	.	H	α-helix	trans	-65.7	-34.4	176.8	0	0	0	0	0	112.3	S177 E182 W183 P201	S177-A179 PolarHBondContact O-N 3.35Å; A179-E182 PolarHBondContact O-N 3.29Å; A179-W183 VanDerWaalsContact O-CB 3.28Å; A179-W183 WeakPolarHBondContact O-CB 3.44Å; A179-W183 PolarHBondContact O-N 2.96Å; A179-P201 HydrophobicContact CB-CB 4.22Å; A179-P201 HydrophobicContact CB-CG 3.95Å
180	M	92.9	Very high	92.4	Very high	7 Å²	7	39.4 Å²	39.4	3%	0.034	22%	0.224	C	C	.	.	H	α-helix	trans	-65.4	-43.5	175.7	-175.3	63.4	-168.6	0	0	111.6	E169 S177 T178 W183 R184 P200 P201 D202	E169-M180 WeakPolarHBondContact O-CE 3.35Å; S177-M180 WeakPolarHBondContact O-CB 3.4Å; S177-M180 PolarHBondContact O-N 2.63Å; S177-M180 PolarHBondContact OG-N 3.33Å; T178-M180 VanDerWaalsContact C-N 3.33Å; T178-M180 PolarHBondContact O-N 3.29Å; M180-W183 HydrophobicContact CE-CE3 4.17Å; M180-W183 HydrophobicContact CE-CZ3 4.14Å; M180-W183 HydrophobicContact SD-CE3 4.32Å; M180-R184 WeakPolarHBondContact O-CB 3.36Å; M180-R184 PolarHBondContact O-N 3.39Å; M180-P200 HydrophobicContact CE-CB 4.03Å; M180-P200 HydrophobicContact SD-CB 3.82Å; M180-P201 HydrophobicContact CB-CG 4.3Å; M180-P201 HydrophobicContact SD-CG 4.38Å; M180-D202 HydrophobicContact CB-CB 4.36Å; M180-D202 WeakPolarHBondContact CB-OD2 3.37Å; M180-D202 HydrophobicContact CG-CB 4.42Å; M180-D202 HydrophobicContact SD-CB 4.26Å
181	L	94.6	Very high	92.6	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-65.4	-43.5	174.5	-178.3	62.2	0	0	0	111.5	L113 H116 L117 L120 L152 L170 F176 S177 T178 R184 L185	L113-L181 HydrophobicContact CD2-CD1 4.2Å; L113-L181 HydrophobicContact CD2-CD2 3.93Å; H116-L181 HydrophobicContact CB-CD2 3.59Å; L117-L181 HydrophobicContact CD2-CD2 4.12Å; L117-L181 HydrophobicContact CG-CD2 4.32Å; L120-L181 HydrophobicContact CD1-CB 4.29Å; L120-L181 HydrophobicContact CD1-CD2 3.88Å; L120-L181 HydrophobicContact CD1-CG 3.92Å; L152-L181 HydrophobicContact CD1-CD1 3.85Å; L170-L181 HydrophobicContact CD1-CD1 3.95Å; L170-L181 HydrophobicContact CD2-CB 4.46Å; L170-L181 HydrophobicContact CD2-CD1 3.93Å; F176-L181 HydrophobicContact CD2-CB 4.4Å; F176-L181 HydrophobicContact CE2-CB 3.99Å; F176-L181 HydrophobicContact CE2-CD2 4.44Å; S177-L181 PolarHBondContact O-N 3.03Å; T178-L181 PolarHBondContact O-N 2.54Å; L181-R184 PolarHBondContact O-N 3.21Å; L181-L185 HydrophobicContact CD1-CG 4.44Å; L181-L185 HydrophobicContact CG-CD1 4.38Å; L181-L185 WeakPolarHBondContact O-CG 3.28Å; L181-L185 PolarHBondContact O-N 3.29Å
182	E	94.8	Very high	92.9	Very high	33 Å²	33	43.8 Å²	43.8	15%	0.154	24%	0.235	C	C	.	.	H	α-helix	trans	-56.2	-52	175.5	-166.8	179.6	161.2	0	0	111.3	L120 H124 T178 A179 R184 L185 A186 I191 Y193	L120-E182 HydrophobicContact CD1-CB 4.4Å; L120-E182 HydrophobicContact CD2-CB 3.83Å; L120-E182 HydrophobicContact CD2-CG 3.86Å; H124-E182 IonicContact CE1-OE1 2.97Å; H124-E182 IonicContact NE2-OE1 3.27Å; H124-E182 PolarHBondContact NE2-OE1 3.46Å; T178-E182 WeakPolarHBondContact O-CB 3.37Å; T178-E182 PolarHBondContact O-N 3.21Å; A179-E182 PolarHBondContact O-N 3.29Å; E182-R184 VanDerWaalsContact C-N 3.3Å; E182-R184 PolarHBondContact O-N 2.9Å; E182-L185 PolarHBondContact O-N 3.39Å; E182-A186 WeakPolarHBondContact O-CB 3.36Å; E182-A186 PolarHBondContact O-N 3.28Å; E182-I191 HydrophobicContact CG-CD1 3.69Å; E182-I191 VanDerWaalsContact O-CD1 3.23Å; E182-I191 WeakPolarHBondContact O-CD1 3.32Å; E182-Y193 HydrophobicContact CG-CD2 4.01Å; E182-Y193 HydrophobicContact CG-CE2 4.11Å
183	W	94.4	Very high	93	Very high	35 Å²	35	44.5 Å²	44.5	13%	0.133	22%	0.221	C	C	.	.	H	α-helix	trans	-55.7	-45.4	175.9	176	89.5	0	0	0	111.5	A179 M180 L185 A186 V187 D196 L197 V199 P200 P201	A179-W183 VanDerWaalsContact O-CB 3.28Å; A179-W183 WeakPolarHBondContact O-CB 3.44Å; A179-W183 PolarHBondContact O-N 2.96Å; M180-W183 HydrophobicContact CE-CE3 4.17Å; M180-W183 HydrophobicContact CE-CZ3 4.14Å; M180-W183 HydrophobicContact SD-CE3 4.32Å; W183-L185 PolarHBondContact O-N 3.48Å; W183-A186 WeakPolarHBondContact O-CB 3.35Å; W183-A186 PolarHBondContact O-N 2.85Å; W183-A186 VanDerWaalsContact O-N 3.1Å; W183-V187 HydrophobicContact CD2-CG2 4.21Å; W183-V187 HydrophobicContact CE3-CG2 4.33Å; W183-V187 HydrophobicContact CH2-CG2 4.03Å; W183-V187 HydrophobicContact CZ2-CG2 3.91Å; W183-V187 HydrophobicContact CZ3-CG2 4.24Å; W183-V187 WeakPolarHBondContact O-CG2 3.43Å; W183-V187 PolarHBondContact O-N 2.94Å; W183-D196 PolarHBondContact NE1-O 3.22Å; W183-L197 VanDerWaalsContact CZ2-O 3.28Å; W183-L197 WeakPolarHBondContact CZ2-O 3.42Å; W183-L197 PolarHBondContact NE1-O 3.44Å; W183-V199 PolarHBondContact NE1-O 3.32Å; W183-P200 HydrophobicContact CD2-CB 3.99Å; W183-P200 HydrophobicContact CE3-CB 3.93Å; W183-P200 HydrophobicContact CH2-CB 3.89Å; W183-P200 HydrophobicContact CH2-CG 4.21Å; W183-P200 HydrophobicContact CZ2-CB 3.91Å; W183-P200 HydrophobicContact CZ2-CG 4.23Å; W183-P200 HydrophobicContact CZ3-CB 3.88Å; W183-P201 HydrophobicContact CB-CG 4.26Å
184	R	94.1	Very high	92.8	Very high	21 Å²	21	47 Å²	47	8%	0.079	25%	0.248	C	C	.	.	H	α-helix	trans	-64.6	-38.1	-180	-178.5	62.2	-169.7	87.7	-3.6	112.7	D162 I164 E169 L170 M180 L181 E182 A186 V187 G188	D162-R184 VanDerWaalsContact CG-NH2 3.34Å; D162-R184 IonicContact OD1-NH2 2.84Å; D162-R184 PolarHBondContact OD1-NH2 3.2Å; D162-R184 IonicContact OD2-CZ 2.7Å; D162-R184 IonicContact OD2-NH1 3.35Å; D162-R184 PolarHBondContact OD2-NH1 3.06Å; D162-R184 IonicContact OD2-NH2 3.31Å; D162-R184 PolarHBondContact OD2-NH2 2.86Å; I164-R184 HydrophobicContact CD1-CG 3.54Å; I164-R184 HydrophobicContact CG1-CG 3.97Å; E169-R184 IonicContact OE2-CZ 3.58Å; E169-R184 IonicContact OE2-NE 3.26Å; E169-R184 PolarHBondContact OE2-NE 3.34Å; E169-R184 IonicContact OE2-NH2 3.71Å; E169-R184 PolarHBondContact OE2-NH2 3.27Å; L170-R184 HydrophobicContact CD2-CB 3.81Å; L170-R184 HydrophobicContact CD2-CG 3.96Å; M180-R184 WeakPolarHBondContact O-CB 3.36Å; M180-R184 PolarHBondContact O-N 3.39Å; L181-R184 PolarHBondContact O-N 3.21Å; E182-R184 VanDerWaalsContact C-N 3.3Å; E182-R184 PolarHBondContact O-N 2.9Å; R184-A186 VanDerWaalsContact C-N 3.33Å; R184-V187 PolarHBondContact O-N 2.74Å; R184-G188 PolarHBondContact O-N 2.86Å
185	L	95.1	Very high	92.5	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-67	-35.8	173	-68.1	177.8	0	0	0	111.6	V99 L117 L120 M129 L154 I164 L181 E182 W183 G188 K189 V190 I191	V99-L185 HydrophobicContact CG1-CD2 4.03Å; V99-L185 HydrophobicContact CG2-CD1 4.35Å; V99-L185 HydrophobicContact CG2-CD2 3.83Å; L117-L185 HydrophobicContact CD2-CD1 4.49Å; L120-L185 HydrophobicContact CD1-CD1 4.03Å; M129-L185 HydrophobicContact CE-CD1 4.25Å; L154-L185 HydrophobicContact CD1-CD2 4.04Å; L154-L185 HydrophobicContact CD2-CD2 3.38Å; L154-L185 HydrophobicContact CG-CD2 4.41Å; I164-L185 HydrophobicContact CD1-CD2 4.19Å; L181-L185 HydrophobicContact CD1-CG 4.44Å; L181-L185 HydrophobicContact CG-CD1 4.38Å; L181-L185 WeakPolarHBondContact O-CG 3.28Å; L181-L185 PolarHBondContact O-N 3.29Å; E182-L185 PolarHBondContact O-N 3.39Å; W183-L185 PolarHBondContact O-N 3.48Å; L185-G188 CarbonylContact O-C 3.56Å; L185-G188 WeakPolarHBondContact O-CA 3.49Å; L185-G188 PolarHBondContact O-N 3.1Å; L185-G188 VanDerWaalsContact O-N 3.17Å; L185-K189 PolarHBondContact O-N 3.26Å; L185-V190 HydrophobicContact CB-CG2 4.22Å; L185-V190 HydrophobicContact CD2-CG2 4.39Å; L185-V190 VanDerWaalsContact O-CG2 3.32Å; L185-V190 WeakPolarHBondContact O-CG2 3.38Å; L185-I191 HydrophobicContact CB-CD1 3.94Å; L185-I191 HydrophobicContact CB-CG1 4.13Å; L185-I191 HydrophobicContact CB-CG2 4.31Å
186	A	94.5	Very high	92.3	Very high	4 Å²	4	41.6 Å²	41.6	3%	0.033	23%	0.233	C	C	.	.	H	α-helix	trans	-66.6	-37.2	177.1	0	0	0	0	0	112.4	E182 W183 R184 G188 K189 I191 Y193 L197	E182-A186 WeakPolarHBondContact O-CB 3.36Å; E182-A186 PolarHBondContact O-N 3.28Å; W183-A186 WeakPolarHBondContact O-CB 3.35Å; W183-A186 PolarHBondContact O-N 2.85Å; W183-A186 VanDerWaalsContact O-N 3.1Å; R184-A186 VanDerWaalsContact C-N 3.33Å; A186-G188 PolarHBondContact O-N 2.89Å; A186-K189 WeakPolarHBondContact O-CA 3.46Å; A186-K189 PolarHBondContact O-N 2.81Å; A186-I191 HydrophobicContact CB-CD1 4.08Å; A186-I191 HydrophobicContact CB-CG1 3.92Å; A186-Y193 HydrophobicContact CB-CD1 3.87Å; A186-Y193 HydrophobicContact CB-CD2 4.27Å; A186-Y193 HydrophobicContact CB-CG 3.59Å; A186-L197 HydrophobicContact CB-CD2 3.5Å
187	V	93.1	Very high	92.1	Very high	60 Å²	60	45.1 Å²	45.1	36%	0.364	25%	0.251	S	S	.	.	H	α-helix	trans	-57.2	-39.2	171.1	173.9	0	0	0	0	110.9	W183 R184 K189	W183-V187 HydrophobicContact CD2-CG2 4.21Å; W183-V187 HydrophobicContact CE3-CG2 4.33Å; W183-V187 HydrophobicContact CH2-CG2 4.03Å; W183-V187 HydrophobicContact CZ2-CG2 3.91Å; W183-V187 HydrophobicContact CZ3-CG2 4.24Å; W183-V187 WeakPolarHBondContact O-CG2 3.43Å; W183-V187 PolarHBondContact O-N 2.94Å; R184-V187 PolarHBondContact O-N 2.74Å; V187-K189 PolarHBondContact O-N 3.22Å
188	G	91.5	Very high	91.6	Very high	9 Å²	9	48.5 Å²	48.5	9%	0.093	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-3.9	172.9	0	0	0	0	0	114.9	R184 L185 A186 V190	R184-G188 PolarHBondContact O-N 2.86Å; L185-G188 CarbonylContact O-C 3.56Å; L185-G188 WeakPolarHBondContact O-CA 3.49Å; L185-G188 PolarHBondContact O-N 3.1Å; L185-G188 VanDerWaalsContact O-N 3.17Å; A186-G188 PolarHBondContact O-N 2.89Å; G188-V190 PolarHBondContact O-N 3.38Å
189	K	92.2	Very high	91.1	Very high	141 Å²	141	50 Å²	50	61%	0.613	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	30.1	179.7	-54.8	-179.9	-179.2	177.5	0	114.4	K156 L185 A186 V187	K156-K189 PolarHBondContact NZ-O 3.29Å; L185-K189 PolarHBondContact O-N 3.26Å; A186-K189 WeakPolarHBondContact O-CA 3.46Å; A186-K189 PolarHBondContact O-N 2.81Å; V187-K189 PolarHBondContact O-N 3.22Å
190	V	93.8	Very high	90.6	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.273	C	S	.	.			trans	-98.8	-11.3	178.5	-68.4	0	0	0	0	114	F96 V99 C127 L154 K156 L185 G188	F96-V190 VanDerWaalsContact CD1-O 3.29Å; F96-V190 WeakPolarHBondContact CD1-O 3.45Å; F96-V190 WeakPolarHBondContact CE1-O 3.3Å; V99-V190 HydrophobicContact CG2-CG2 4.01Å; C127-V190 WeakPolarHBondContact CB-O 3.1Å; C127-V190 PolarHBondContact SG-O 2.96Å; L154-V190 HydrophobicContact CB-CG1 3.96Å; L154-V190 HydrophobicContact CB-CG2 4.44Å; L154-V190 HydrophobicContact CD1-CG2 4.09Å; L154-V190 HydrophobicContact CD2-CG2 4.36Å; K156-V190 HydrophobicContact CB-CG1 4.5Å; L185-V190 HydrophobicContact CB-CG2 4.22Å; L185-V190 HydrophobicContact CD2-CG2 4.39Å; L185-V190 VanDerWaalsContact O-CG2 3.32Å; L185-V190 WeakPolarHBondContact O-CG2 3.38Å; G188-V190 PolarHBondContact O-N 3.38Å
191	I	94.7	Very high	90	Very high	9 Å²	9	51.3 Å²	51.3	5%	0.046	29%	0.286	C	S	.	.	S	Bend	trans	-124.8	156.9	174.1	63.8	167.6	0	0	0	110.6	H124 C127 M129 E182 L185 A186	H124-I191 HydrophobicContact CB-CG2 4.23Å; C127-I191 HydrophobicContact CB-CG2 3.76Å; M129-I191 HydrophobicContact CE-CG2 4.21Å; E182-I191 HydrophobicContact CG-CD1 3.69Å; E182-I191 VanDerWaalsContact O-CD1 3.23Å; E182-I191 WeakPolarHBondContact O-CD1 3.32Å; L185-I191 HydrophobicContact CB-CD1 3.94Å; L185-I191 HydrophobicContact CB-CG1 4.13Å; L185-I191 HydrophobicContact CB-CG2 4.31Å; A186-I191 HydrophobicContact CB-CD1 4.08Å; A186-I191 HydrophobicContact CB-CG1 3.92Å
192	K	92.1	Very high	89.1	Confident	113 Å²	113	52.7 Å²	52.7	49%	0.491	29%	0.293	S	S	.	.			trans	-83.7	115.3	167.7	-69.2	174.6	-177.9	-179.8	0	108.4	F96 H124 E126	F96-K192 HydrophobicContact CE1-CG 4.12Å; F96-K192 HydrophobicContact CE2-CG 4.02Å; F96-K192 HydrophobicContact CZ-CD 4.49Å; F96-K192 HydrophobicContact CZ-CG 3.53Å; H124-K192 PolarHBondContact CE1-O 3.13Å; H124-K192 PolarHBondContact ND1-O 3.38Å; E126-K192 HydrophobicContact CG-CB 4.46Å; E126-K192 HydrophobicContact CG-CD 4.15Å; E126-K192 HydrophobicContact CG-CG 4.02Å; E126-K192 WeakPolarHBondContact OE1-CB 3.14Å; E126-K192 PolarHBondContact OE1-N 3.33Å
193	Y	91.3	Very high	87.7	Confident	69 Å²	69	56.3 Å²	56.3	27%	0.271	31%	0.311	S	S	.	.			trans	-119.8	132.4	-178.7	-175.5	-112.5	0	0	0	110	E182 A186 G195 L197	E182-Y193 HydrophobicContact CG-CD2 4.01Å; E182-Y193 HydrophobicContact CG-CE2 4.11Å; A186-Y193 HydrophobicContact CB-CD1 3.87Å; A186-Y193 HydrophobicContact CB-CD2 4.27Å; A186-Y193 HydrophobicContact CB-CG 3.59Å; Y193-G195 WeakPolarHBondContact CD1-O 3.5Å; Y193-G195 WeakPolarHBondContact CE1-O 3.1Å; Y193-L197 HydrophobicContact CD1-CD2 3.63Å; Y193-L197 HydrophobicContact CD1-CG 4.45Å; Y193-L197 HydrophobicContact CE1-CD2 4.16Å
194	S	86	Confident	85.8	Confident	132 Å²	132	60.2 Å²	60.2	92%	0.923	34%	0.335	S	S	*	.			trans	-99.1	7.3	-178	59.4	0	0	0	0	113.7
195	G	85.5	Confident	83.9	Confident	35 Å²	35	67.2 Å²	67.2	36%	0.361	37%	0.366	S	S	.	.	S	Bend	trans	-103.2	177.8	179.2	0	0	0	0	0	113.7	Y193 L197	Y193-G195 WeakPolarHBondContact CD1-O 3.5Å; Y193-G195 WeakPolarHBondContact CE1-O 3.1Å; G195-L197 PolarHBondContact O-N 3.01Å
196	D	86.1	Confident	81.6	Confident	91 Å²	91	77 Å²	77	49%	0.487	41%	0.408	S	S	.	.			trans	-75.8	122.3	176.9	-173	-3.3	0	0	0	111.1	W183 T198	W183-D196 PolarHBondContact NE1-O 3.22Å; D196-T198 VanDerWaalsContact C-N 3.27Å; D196-T198 PolarHBondContact O-N 3.17Å; D196-T198 WeakPolarHBondContact OD1-CB 3.38Å; D196-T198 WeakPolarHBondContact OD1-CG2 3.4Å; D196-T198 PolarHBondContact OD1-N 3.21Å; D196-T198 PolarHBondContact OD1-OG1 3.17Å; D196-T198 PolarHBondContact OD2-OG1 3.03Å
197	L	86	Confident	78.9	Confident	80 Å²	80	85.9 Å²	85.9	42%	0.419	45%	0.446	S	S	.	.	S	Bend	trans	-78	-11.2	178.1	-64	176.6	0	0	0	112.9	W183 A186 Y193 G195	W183-L197 VanDerWaalsContact CZ2-O 3.28Å; W183-L197 WeakPolarHBondContact CZ2-O 3.42Å; W183-L197 PolarHBondContact NE1-O 3.44Å; A186-L197 HydrophobicContact CB-CD2 3.5Å; Y193-L197 HydrophobicContact CD1-CD2 3.63Å; Y193-L197 HydrophobicContact CD1-CG 4.45Å; Y193-L197 HydrophobicContact CE1-CD2 4.16Å; G195-L197 PolarHBondContact O-N 3.01Å
198	T	83.5	Confident	76.4	Confident	110 Å²	110	88.4 Å²	88.4	68%	0.675	47%	0.466	S	S	*	.	S	Bend	trans	-84	-24.4	-177.5	70.6	0	0	0	0	113	D196	D196-T198 VanDerWaalsContact C-N 3.27Å; D196-T198 PolarHBondContact O-N 3.17Å; D196-T198 WeakPolarHBondContact OD1-CB 3.38Å; D196-T198 WeakPolarHBondContact OD1-CG2 3.4Å; D196-T198 PolarHBondContact OD1-N 3.21Å; D196-T198 PolarHBondContact OD1-OG1 3.17Å; D196-T198 PolarHBondContact OD2-OG1 3.03Å
199	V	82.8	Confident	73.8	Confident	63 Å²	63	94.2 Å²	94.2	38%	0.382	50%	0.5	S	S	.	.	S	Bend	trans	-117.3	108.4	-176	-175.4	0	0	0	0	110.7	W183	W183-V199 PolarHBondContact NE1-O 3.32Å
200	P	83.8	Confident	71.3	Confident	28 Å²	28	92.5 Å²	92.5	18%	0.182	51%	0.505	C	S	.	.			trans	-67.4	135.6	173.4	22.3	-27.9	0	0	0	110.9	M180 W183 D202 M203	M180-P200 HydrophobicContact CE-CB 4.03Å; M180-P200 HydrophobicContact SD-CB 3.82Å; W183-P200 HydrophobicContact CD2-CB 3.99Å; W183-P200 HydrophobicContact CE3-CB 3.93Å; W183-P200 HydrophobicContact CH2-CB 3.89Å; W183-P200 HydrophobicContact CH2-CG 4.21Å; W183-P200 HydrophobicContact CZ2-CB 3.91Å; W183-P200 HydrophobicContact CZ2-CG 4.23Å; W183-P200 HydrophobicContact CZ3-CB 3.88Å; P200-D202 VanDerWaalsContact C-N 3.35Å; P200-D202 PolarHBondContact O-N 2.92Å; P200-M203 HydrophobicContact CB-CG 4.2Å; P200-M203 HydrophobicContact CG-CB 3.95Å; P200-M203 HydrophobicContact CG-CG 3.71Å; P200-M203 PolarHBondContact O-N 3.1Å
201	P	81.1	Confident	68.7	Low	45 Å²	45	97.6 Å²	97.6	29%	0.292	54%	0.54	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-33.8	-169.6	22.5	-32.9	0	0	0	114	A179 M180 W183	A179-P201 HydrophobicContact CB-CB 4.22Å; A179-P201 HydrophobicContact CB-CG 3.95Å; M180-P201 HydrophobicContact CB-CG 4.3Å; M180-P201 HydrophobicContact SD-CG 4.38Å; W183-P201 HydrophobicContact CB-CG 4.26Å
202	D	74.4	Confident	66.4	Low	29 Å²	29	104.1 Å²	104.1	16%	0.155	58%	0.575	C	S	.	*	T	Hydrogen-bonded Turn	trans	-87.2	-17.6	-174.1	-75.7	-8	0	0	0	113.9	S177 M180 P200 N204	S177-D202 WeakPolarHBondContact CB-OD1 3.35Å; S177-D202 WeakPolarHBondContact CB-OD2 3.33Å; S177-D202 PolarHBondContact N-OD2 2.86Å; S177-D202 PolarHBondContact OG-OD1 3.29Å; S177-D202 PolarHBondContact OG-OD2 3.43Å; M180-D202 HydrophobicContact CB-CB 4.36Å; M180-D202 WeakPolarHBondContact CB-OD2 3.37Å; M180-D202 HydrophobicContact CG-CB 4.42Å; M180-D202 HydrophobicContact SD-CB 4.26Å; P200-D202 VanDerWaalsContact C-N 3.35Å; P200-D202 PolarHBondContact O-N 2.92Å; D202-N204 VanDerWaalsContact C-N 3.27Å; D202-N204 PolarHBondContact O-N 3.11Å
203	M	65.8	Low	64.2	Low	108 Å²	108	104.8 Å²	104.8	53%	0.532	58%	0.583	S	S	.	*	G	3₁₀ helix	trans	-77	-14.1	-179.2	-65.6	-66.2	103.6	0	0	113.2	P200 K205	P200-M203 HydrophobicContact CB-CG 4.2Å; P200-M203 HydrophobicContact CG-CB 3.95Å; P200-M203 HydrophobicContact CG-CG 3.71Å; P200-M203 PolarHBondContact O-N 3.1Å; M203-K205 VanDerWaalsContact C-N 3.28Å; M203-K205 PolarHBondContact O-N 3.47Å
204	N	55.4	Low	62.1	Low	118 Å²	118	105.5 Å²	105.5	63%	0.631	60%	0.599	S	S	*	*	G	3₁₀ helix	trans	-80	-1.6	-177.1	-114.6	2	0	0	0	114.8	D202 K206	D202-N204 VanDerWaalsContact C-N 3.27Å; D202-N204 PolarHBondContact O-N 3.11Å; N204-K206 PolarHBondContact O-N 2.86Å
205	K	53.5	Low	60.3	Low	168 Å²	168	105.4 Å²	105.4	73%	0.73	59%	0.588	S	S	*	*	G	3₁₀ helix	trans	-83	4.3	-176.8	-76.9	-179.4	-180	169.1	0	115.9	M203	M203-K205 VanDerWaalsContact C-N 3.28Å; M203-K205 PolarHBondContact O-N 3.47Å
206	K	45.6	Very low	58.7	Low	204 Å²	204	109.2 Å²	109.2	89%	0.887	60%	0.599	S	S	*	*	G	3₁₀ helix	trans	-110.5	19.9	179.6	-74.8	-173.3	178.5	176.8	0	116.3	N204	N204-K206 PolarHBondContact O-N 2.86Å
207	K	39.4	Very low	56.8	Low	191 Å²	191	109.2 Å²	109.2	83%	0.83	60%	0.602	S	S	*	*			trans	-127.8	28.5	176.9	-81.6	-172	178.7	177.6	0	116.1	T209	K207-T209 PolarHBondContact O-N 3.13Å
208	S	40.6	Very low	54.9	Low	113 Å²	113	113.9 Å²	113.9	79%	0.79	62%	0.619	S	S	*	*			trans	-90.1	70.3	172.4	61.6	0	0	0	0	112.4
209	T	37	Very low	53.1	Low	132 Å²	132	117.3 Å²	117.3	81%	0.81	63%	0.625	S	S	*	*			trans	-135.8	61.2	159.8	-43.3	0	0	0	0	109.3	K207	K207-T209 PolarHBondContact O-N 3.13Å
210	C	38.5	Very low	51.3	Low	105 Å²	105	120.8 Å²	120.8	71%	0.709	64%	0.64	S	S	*	*			trans	-140.5	77	162.5	-55.7	0	0	0	0	108.4	N212	C210-N212 PolarHBondContact O-N 3.38Å
211	S	39.1	Very low	49.5	Very low	106 Å²	106	129.7 Å²	129.7	74%	0.741	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.3	112	154.3	47.7	0	0	0	0	107.8
212	N	47.9	Very low	47.7	Very low	147 Å²	147	133.8 Å²	133.8	79%	0.786	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	167.1	1.5	155.5	-82.2	-13.9	0	0	0	115.1	C210	C210-N212 PolarHBondContact O-N 3.38Å
213	L	44.4	Very low	46.4	Very low	126 Å²	126	139.8 Å²	139.8	66%	0.66	72%	0.723	S	S	*	*			trans	-90.6	2.4	-179.5	-80	145.5	0	0	0	115.4	N215 I216	L213-N215 PolarHBondContact O-N 3.31Å; L213-N215 VanDerWaalsContact O-N 3.13Å; L213-I216 HydrophobicContact CD2-CD1 4.47Å
214	S	48.1	Very low	45.5	Very low	84 Å²	84	143.8 Å²	143.8	59%	0.587	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70	-5.7	-177	55.3	0	0	0	0	115.4
215	N	48.2	Very low	45	Very low	131 Å²	131	143 Å²	143	70%	0.701	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.4	-4.3	-173.7	-65.5	-7.4	0	0	0	114.3	L213	L213-N215 PolarHBondContact O-N 3.31Å; L213-N215 VanDerWaalsContact O-N 3.13Å
216	I	51	Low	45.2	Very low	115 Å²	115	142.7 Å²	142.7	59%	0.59	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.7	-29.3	-176.3	-68	173.6	0	0	0	112.1	L213	L213-I216 HydrophobicContact CD2-CD1 4.47Å
217	T	46.2	Very low	45.3	Very low	91 Å²	91	143.7 Å²	143.7	56%	0.558	75%	0.746	S	S	*	*	G	3₁₀ helix	trans	-87.2	-9.8	-174.2	46.7	0	0	0	0	115.2	K219	T217-K219 VanDerWaalsContact C-N 3.33Å
218	K	47.3	Very low	45.4	Very low	178 Å²	178	140 Å²	140	77%	0.774	74%	0.744	S	S	*	*	G	3₁₀ helix	trans	-78.2	-11.7	173.5	-79.6	-176.2	178.3	177.4	0	114.3
219	K	45.5	Very low	45.5	Very low	182 Å²	182	143.9 Å²	143.9	79%	0.791	75%	0.747	S	S	*	*	G	3₁₀ helix	trans	-93.5	-4	-178.1	-83.5	-171.2	175.1	-176.6	0	115.2	T217	T217-K219 VanDerWaalsContact C-N 3.33Å
220	L	45.2	Very low	45.7	Very low	136 Å²	136	142.8 Å²	142.8	71%	0.712	74%	0.744	S	S	*	*	S	Bend	trans	-102.8	-4.6	-173.7	-74.8	160.4	0	0	0	114.2
221	Y	45.5	Very low	45.8	Very low	214 Å²	214	147.9 Å²	147.9	84%	0.839	75%	0.754	S	S	*	*	S	Bend	trans	-97.9	7.6	179	-80.2	-85.7	0	0	0	114.4
222	D	43	Very low	45.9	Very low	132 Å²	132	150.2 Å²	150.2	71%	0.706	76%	0.758	S	S	*	*			trans	-101.2	1.3	-179	-101.2	-27	0	0	0	114.9	K224	D222-K224 PolarHBondContact O-N 3.45Å
223	N	47	Very low	45.8	Very low	154 Å²	154	151 Å²	151	82%	0.824	76%	0.762	S	S	*	*			trans	-91.1	83.2	173.9	-73.4	-3.2	0	0	0	110.2	S225	N223-S225 PolarHBondContact O-N 3.3Å; N223-S225 VanDerWaalsContact O-N 3.15Å
224	K	46.7	Very low	45.8	Very low	192 Å²	192	152.6 Å²	152.6	84%	0.835	77%	0.771	S	S	*	*			trans	-44.5	111.1	168.6	-76.7	169.6	176.1	169.4	0	111.3	D222	D222-K224 PolarHBondContact O-N 3.45Å
225	S	45.1	Very low	46.1	Very low	101 Å²	101	153.3 Å²	153.3	71%	0.706	78%	0.783	S	S	*	*			trans	-64.2	132	160.1	164.4	0	0	0	0	109.3	N223 Y227	N223-S225 PolarHBondContact O-N 3.3Å; N223-S225 VanDerWaalsContact O-N 3.15Å; S225-Y227 PolarHBondContact O-N 3.24Å
226	I	57.7	Low	46.2	Very low	162 Å²	162	154.2 Å²	154.2	83%	0.831	79%	0.788	S	S	*	*	S	Bend	trans	-78.4	3.6	-173.5	-66	171.5	0	0	0	111.9
227	Y	48.5	Very low	46.5	Very low	225 Å²	225	156 Å²	156	88%	0.882	80%	0.798	S	S	*	*			trans	-105.6	36	-167	-117.9	-82.8	0	0	0	115.5	S225	S225-Y227 PolarHBondContact O-N 3.24Å
228	S	41.3	Very low	46.9	Very low	113 Å²	113	157.9 Å²	157.9	79%	0.79	81%	0.805	S	S	*	*			trans	-141	65.8	178.8	171.5	0	0	0	0	110.7
229	K	42.4	Very low	47.4	Very low	195 Å²	195	156.4 Å²	156.4	85%	0.848	81%	0.805	S	S	*	*			trans	-159.1	77.1	177	-164.1	168.3	-175.1	170.6	0	112.9
230	C	41.5	Very low	48.1	Very low	110 Å²	110	156.3 Å²	156.3	74%	0.743	81%	0.808	S	S	*	*			trans	171.7	106.3	149.5	45.7	0	0	0	0	109.4
231	F	40.8	Very low	48.9	Very low	211 Å²	211	157.2 Å²	157.2	93%	0.925	81%	0.813	S	S	*	*			trans	-177	59.3	144.1	-87.1	-62.7	0	0	0	106.7
232	D	40.8	Very low	49.7	Very low	155 Å²	155	152.3 Å²	152.3	83%	0.829	81%	0.81	S	S	*	*			trans	-117.7	113.9	151.7	-77.1	-43.8	0	0	0	103.3
233	N	46.5	Very low	50.5	Low	163 Å²	163	157.6 Å²	157.6	87%	0.872	84%	0.839	S	S	*	*			trans	-166.6	112.6	154.6	-91.8	-21.4	0	0	0	107.8
234	D	44.5	Very low	50.7	Low	160 Å²	160	157.8 Å²	157.8	86%	0.856	84%	0.84	S	S	*	*			trans	-49.6	142.7	165.2	-51.2	-70.5	0	0	0	112
235	A	52.7	Low	50.9	Low	100 Å²	100	156 Å²	156	83%	0.826	84%	0.84	S	S	*	*			trans	-162	86.1	151.5	0	0	0	0	0	108.1
236	D	51.3	Low	51.2	Low	150 Å²	150	159.1 Å²	159.1	80%	0.802	85%	0.847	S	S	*	*			trans	-58.1	134.5	147.5	-67.8	-47.3	0	0	0	108.2
237	D	57.7	Low	50.8	Low	151 Å²	151	158.9 Å²	158.9	81%	0.807	85%	0.848	S	S	*	*			trans	-175.8	95.5	148.3	-96.6	-19.5	0	0	0	108.8
238	D	54.9	Low	51	Low	132 Å²	132	154.8 Å²	154.8	71%	0.706	85%	0.846	S	S	*	*				40	121.2	124.9	-62.1	-15.5	0	0	0	121
239	D	57.5	Low	51.6	Low	146 Å²	146	157.5 Å²	157.5	78%	0.781	85%	0.85	S	S	*	*				77.6	147.3	124.9	-61.7	-26.2	0	0	0	123.8
240	E	58.6	Low	52.3	Low	180 Å²	180	154.9 Å²	154.9	84%	0.841	85%	0.85	S	S	*	*			trans	98.7	90.2	156.5	-56.9	-166.1	160.6	0	0	119.8
241	D	62.2	Low	53.1	Low	155 Å²	155	158.3 Å²	158.3	83%	0.829	86%	0.858	S	S	*	*				25.3	127.4	123.8	-64.3	-26.7	0	0	0	120.5
242	S	63.4	Low	54.1	Low	111 Å²	111	153.9 Å²	153.9	78%	0.776	85%	0.852	S	S	*	*				168.5	113.4	116.3	-73.6	0	0	0	0	112.3
243	D	59.2	Low	55.3	Low	244 Å²	244	153.8 Å²	153.8	100%	1.305	86%	0.855	S	S	*	*				177.2	0	116.2	-93.9	-8.5	0	0	0	110.9

Retrieved 243 of 243 residues in 70.7 ms (Link to these results)

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