A0A077ZLS2_TRITR Loading...

UPF0236 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZLS2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 483 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	34.9	Very low	50.3	Low	224 Å²	224	139.8 Å²	139.8	100%	1.103	73%	0.734	S	S	*	*				0	109.7	0	-90.7	-174.8	-170.9	0	0	105.3	I3	M1-I3 HydrophobicContact CB-CG1 4.46Å; M1-I3 PolarHBondContact O-N 3.34Å
2	D	42	Very low	52.7	Low	167 Å²	167	133.7 Å²	133.7	89%	0.893	71%	0.711	S	S	*	*			trans	-67.6	92.3	156.8	-69	-30.5	0	0	0	105.4	I4	D2-I4 PolarHBondContact O-N 3.2Å
3	I	44.8	Very low	55.1	Low	124 Å²	124	134.8 Å²	134.8	64%	0.636	71%	0.71	S	S	*	*			trans	-55.9	123.5	162.5	-63.5	173.1	0	0	0	103.5	M1 T5	M1-I3 HydrophobicContact CB-CG1 4.46Å; M1-I3 PolarHBondContact O-N 3.34Å; I3-T5 HydrophobicContact CB-CG2 4.3Å; I3-T5 HydrophobicContact CG2-CG2 4.21Å; I3-T5 PolarHBondContact O-N 3.43Å
4	I	48.1	Very low	57.3	Low	144 Å²	144	135.3 Å²	135.3	74%	0.738	71%	0.713	S	S	*	*			trans	-62.1	93.2	170.9	-62.9	173.9	0	0	0	105.6	D2 K6	D2-I4 PolarHBondContact O-N 3.2Å; I4-K6 VanDerWaalsContact C-N 3.26Å
5	T	41.6	Very low	59.3	Low	116 Å²	116	127.1 Å²	127.1	71%	0.712	67%	0.673	S	S	*	*			trans	-82.4	-5.5	-176.9	41.3	0	0	0	0	112.1	I3 T7	I3-T5 HydrophobicContact CB-CG2 4.3Å; I3-T5 HydrophobicContact CG2-CG2 4.21Å; I3-T5 PolarHBondContact O-N 3.43Å; T5-T7 PolarHBondContact O-N 3.31Å
6	K	45.4	Very low	61.2	Low	181 Å²	181	124 Å²	124	79%	0.787	66%	0.655	S	S	*	*			trans	-86.9	82.5	173.4	-71	-171.7	176.5	-175.3	0	110.1	I4 G8	I4-K6 VanDerWaalsContact C-N 3.26Å; K6-G8 PolarHBondContact O-N 3.14Å
7	T	48.2	Very low	63	Low	93 Å²	93	118.9 Å²	118.9	57%	0.571	64%	0.64	S	S	*	*			trans	-74.4	-7.3	171	42.4	0	0	0	0	113.7	T5 E9 I10	T5-T7 PolarHBondContact O-N 3.31Å; T7-E9 PolarHBondContact O-N 3Å; T7-I10 PolarHBondContact O-N 2.78Å
8	G	51.1	Low	64.7	Low	75 Å²	75	113.9 Å²	113.9	77%	0.773	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.4	-12.3	-163.5	0	0	0	0	0	118.2	K6	K6-G8 PolarHBondContact O-N 3.14Å
9	E	62.2	Low	66.2	Low	180 Å²	180	110.3 Å²	110.3	84%	0.841	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-139.3	18.5	-176.8	-65.6	-178.2	173.3	0	0	114	T7	T7-E9 PolarHBondContact O-N 3Å
10	I	65.6	Low	67.7	Low	98 Å²	98	110 Å²	110	50%	0.503	60%	0.596	S	S	.	*			trans	-79.2	-30.9	-173.8	-60.8	178.2	0	0	0	112	T7	T7-I10 PolarHBondContact O-N 2.78Å
11	W	69.6	Low	69.1	Low	136 Å²	136	106.8 Å²	106.8	52%	0.515	58%	0.582	S	S	.	*			trans	-100.1	131.4	-166.3	-54.7	113	0	0	0	112.8	A15 M43	W11-A15 HydrophobicContact CE3-CB 4.41Å; W11-M43 HydrophobicContact CE3-CE 4.43Å; W11-M43 HydrophobicContact CE3-SD 4.41Å; W11-M43 HydrophobicContact CH2-CE 3.47Å; W11-M43 VanDerWaalsContact CH2-CE 3.47Å; W11-M43 HydrophobicContact CH2-SD 4.43Å; W11-M43 HydrophobicContact CZ3-CE 3.28Å; W11-M43 HydrophobicContact CZ3-SD 3.64Å
12	S	79.3	Confident	72	Confident	66 Å²	66	98 Å²	98	46%	0.462	54%	0.539	S	S	.	.			trans	-80.2	152.1	170	60.7	0	0	0	0	111.4	N14 A15 I16	S12-N14 PolarHBondContact O-N 2.87Å; S12-N14 VanDerWaalsContact O-N 3.09Å; S12-A15 WeakPolarHBondContact O-CB 3.48Å; S12-A15 PolarHBondContact O-N 2.93Å; S12-A15 PolarHBondContact OG-N 3.42Å; S12-I16 PolarHBondContact O-N 3.44Å
13	E	83.7	Confident	74.5	Confident	149 Å²	149	94.5 Å²	94.5	70%	0.696	52%	0.519	S	S	*	.	H	α-helix	trans	-49.3	-35.2	170	-71.4	-59.5	147.1	0	0	113.1	A15 I16 G17	E13-A15 VanDerWaalsContact C-N 3.3Å; E13-A15 PolarHBondContact O-N 2.96Å; E13-I16 PolarHBondContact O-N 3.44Å; E13-G17 PolarHBondContact O-N 2.77Å
14	N	85.3	Confident	77	Confident	141 Å²	141	97.3 Å²	97.3	75%	0.754	53%	0.527	S	S	*	.	H	α-helix	trans	-61.3	-36.2	175.9	-68.4	-16.1	0	0	0	113.2	S12 A18	S12-N14 PolarHBondContact O-N 2.87Å; S12-N14 VanDerWaalsContact O-N 3.09Å; N14-A18 WeakPolarHBondContact O-CB 3.41Å; N14-A18 PolarHBondContact O-N 3.49Å
15	A	87.7	Confident	79.3	Confident	13 Å²	13	97.2 Å²	97.2	11%	0.107	52%	0.521	C	S	.	.	H	α-helix	trans	-72.2	-41.2	178.5	0	0	0	0	0	110.6	W11 S12 E13 A18 V19 W39	W11-A15 HydrophobicContact CE3-CB 4.41Å; S12-A15 WeakPolarHBondContact O-CB 3.48Å; S12-A15 PolarHBondContact O-N 2.93Å; S12-A15 PolarHBondContact OG-N 3.42Å; E13-A15 VanDerWaalsContact C-N 3.3Å; E13-A15 PolarHBondContact O-N 2.96Å; A15-A18 PolarHBondContact O-N 3.08Å; A15-V19 WeakPolarHBondContact O-CG2 2.95Å; A15-V19 PolarHBondContact O-N 2.8Å; A15-V19 VanDerWaalsContact O-N 3.12Å; A15-W39 HydrophobicContact CB-CH2 4.12Å
16	I	89.4	Confident	81.9	Confident	77 Å²	77	92.6 Å²	92.6	40%	0.395	49%	0.494	S	S	.	.	H	α-helix	trans	-61	-47.7	174.1	-60.8	173.5	0	0	0	109.8	S12 E13 A18 V19 I20	S12-I16 PolarHBondContact O-N 3.44Å; E13-I16 PolarHBondContact O-N 3.44Å; I16-A18 VanDerWaalsContact C-N 3.33Å; I16-A18 PolarHBondContact O-N 3.36Å; I16-V19 PolarHBondContact O-N 2.69Å; I16-I20 HydrophobicContact CG2-CD1 3.93Å; I16-I20 WeakPolarHBondContact O-CG1 3.23Å; I16-I20 PolarHBondContact O-N 3.36Å
17	G	92.9	Very high	84.3	Confident	38 Å²	38	91 Å²	91	39%	0.392	49%	0.494	S	S	.	.	H	α-helix	trans	-60.2	-38	176.9	0	0	0	0	0	113.5	E13 I20 S21	E13-G17 PolarHBondContact O-N 2.77Å; G17-I20 PolarHBondContact O-N 3.27Å; G17-S21 WeakPolarHBondContact O-CB 3.37Å; G17-S21 PolarHBondContact O-N 3.08Å
18	A	92.6	Very high	86.7	Confident	28 Å²	28	90.7 Å²	90.7	23%	0.231	49%	0.489	C	S	.	.	H	α-helix	trans	-63.6	-44.8	174.7	0	0	0	0	0	112	N14 A15 I16 S21 L22 W39	N14-A18 WeakPolarHBondContact O-CB 3.41Å; N14-A18 PolarHBondContact O-N 3.49Å; A15-A18 PolarHBondContact O-N 3.08Å; I16-A18 VanDerWaalsContact C-N 3.33Å; I16-A18 PolarHBondContact O-N 3.36Å; A18-S21 WeakPolarHBondContact O-CB 3.33Å; A18-S21 PolarHBondContact O-N 3.44Å; A18-L22 WeakPolarHBondContact O-CG 3.34Å; A18-L22 PolarHBondContact O-N 3.13Å; A18-W39 HydrophobicContact CB-CH2 4.37Å; A18-W39 HydrophobicContact CB-CZ2 3.61Å
19	V	93.9	Very high	88.8	Confident	46 Å²	46	91.2 Å²	91.2	28%	0.279	48%	0.48	S	S	.	.	H	α-helix	trans	-60.4	-48.3	175.8	170.3	0	0	0	0	111.1	A15 I16 S21 L22 I23 L36 W39	A15-V19 WeakPolarHBondContact O-CG2 2.95Å; A15-V19 PolarHBondContact O-N 2.8Å; A15-V19 VanDerWaalsContact O-N 3.12Å; I16-V19 PolarHBondContact O-N 2.69Å; V19-S21 VanDerWaalsContact C-N 3.29Å; V19-S21 PolarHBondContact O-N 3.41Å; V19-L22 PolarHBondContact O-N 2.93Å; V19-I23 HydrophobicContact CG1-CD1 3.88Å; V19-I23 WeakPolarHBondContact O-CG1 3.47Å; V19-I23 PolarHBondContact O-N 3.11Å; V19-L36 HydrophobicContact CB-CD2 4.36Å; V19-L36 HydrophobicContact CG1-CD2 3.89Å; V19-L36 HydrophobicContact CG2-CD2 4.33Å; V19-W39 HydrophobicContact CG2-CE3 4.13Å; V19-W39 HydrophobicContact CG2-CH2 3.94Å; V19-W39 HydrophobicContact CG2-CZ3 3.53Å
20	I	95.9	Very high	90.4	Very high	104 Å²	104	87 Å²	87	53%	0.533	46%	0.463	S	S	.	.	H	α-helix	trans	-58.3	-43.2	176.7	-67.6	169.4	0	0	0	110.7	I16 G17 I23 K24	I16-I20 HydrophobicContact CG2-CD1 3.93Å; I16-I20 WeakPolarHBondContact O-CG1 3.23Å; I16-I20 PolarHBondContact O-N 3.36Å; G17-I20 PolarHBondContact O-N 3.27Å; I20-I23 PolarHBondContact O-N 3.17Å; I20-K24 WeakPolarHBondContact O-CB 3.4Å; I20-K24 PolarHBondContact O-N 3.4Å
21	S	96.3	Very high	91.9	Very high	43 Å²	43	84.7 Å²	84.7	30%	0.301	45%	0.45	S	S	.	.	H	α-helix	trans	-63.2	-42.8	178.5	-165.4	0	0	0	0	112.3	G17 A18 V19 K24 K25	G17-S21 WeakPolarHBondContact O-CB 3.37Å; G17-S21 PolarHBondContact O-N 3.08Å; A18-S21 WeakPolarHBondContact O-CB 3.33Å; A18-S21 PolarHBondContact O-N 3.44Å; V19-S21 VanDerWaalsContact C-N 3.29Å; V19-S21 PolarHBondContact O-N 3.41Å; S21-K24 PolarHBondContact O-N 3.37Å; S21-K25 WeakPolarHBondContact O-CB 3.41Å; S21-K25 VanDerWaalsContact O-CG 3.24Å; S21-K25 WeakPolarHBondContact O-CG 3.46Å; S21-K25 PolarHBondContact O-N 3.42Å; S21-K25 WeakPolarHBondContact OG-CE 3.24Å; S21-K25 PolarHBondContact OG-NZ 2.94Å
22	L	96.2	Very high	93.2	Very high	40 Å²	40	78.9 Å²	78.9	21%	0.209	43%	0.43	C	S	.	.	H	α-helix	trans	-63.6	-44.8	177.7	-72.3	170.8	0	0	0	111.3	A18 V19 K25 S26 K35 L36 W39	A18-L22 WeakPolarHBondContact O-CG 3.34Å; A18-L22 PolarHBondContact O-N 3.13Å; V19-L22 PolarHBondContact O-N 2.93Å; L22-K25 PolarHBondContact O-N 3.12Å; L22-S26 PolarHBondContact O-N 3.09Å; L22-S26 PolarHBondContact O-OG 3.03Å; L22-K35 HydrophobicContact CD2-CB 4.39Å; L22-L36 HydrophobicContact CB-CD2 4.02Å; L22-L36 HydrophobicContact CD1-CD2 4.05Å; L22-W39 HydrophobicContact CD1-CB 3.56Å; L22-W39 HydrophobicContact CD1-CD2 4.04Å; L22-W39 HydrophobicContact CD1-CG 3.55Å
23	I	95.9	Very high	93.9	Very high	92 Å²	92	81.9 Å²	81.9	47%	0.472	44%	0.437	S	S	.	.	H	α-helix	trans	-59.9	-48.9	176.4	-67.1	167	0	0	0	110.3	V19 I20 K25 S26 L36	V19-I23 HydrophobicContact CG1-CD1 3.88Å; V19-I23 WeakPolarHBondContact O-CG1 3.47Å; V19-I23 PolarHBondContact O-N 3.11Å; I20-I23 PolarHBondContact O-N 3.17Å; I23-K25 VanDerWaalsContact C-N 3.27Å; I23-K25 PolarHBondContact O-N 2.98Å; I23-S26 PolarHBondContact O-N 3.48Å; I23-L36 HydrophobicContact CD1-CD1 4.48Å; I23-L36 HydrophobicContact CG1-CD1 4.03Å; I23-L36 HydrophobicContact CG1-CD2 4.48Å
24	K	96.5	Very high	94.4	Very high	183 Å²	183	83.1 Å²	83.1	80%	0.796	44%	0.436	S	S	*	.	H	α-helix	trans	-61.8	-32.3	-179.7	-178.7	177.1	177.2	179	0	113.5	I20 S21	I20-K24 WeakPolarHBondContact O-CB 3.4Å; I20-K24 PolarHBondContact O-N 3.4Å; S21-K24 PolarHBondContact O-N 3.37Å
25	K	96.2	Very high	94.8	Very high	143 Å²	143	79.4 Å²	79.4	62%	0.622	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	8.6	-177.8	-69.2	173	177.1	169.9	0	113.5	S21 L22 I23 K35	S21-K25 WeakPolarHBondContact O-CB 3.41Å; S21-K25 VanDerWaalsContact O-CG 3.24Å; S21-K25 WeakPolarHBondContact O-CG 3.46Å; S21-K25 PolarHBondContact O-N 3.42Å; S21-K25 WeakPolarHBondContact OG-CE 3.24Å; S21-K25 PolarHBondContact OG-NZ 2.94Å; L22-K25 PolarHBondContact O-N 3.12Å; I23-K25 VanDerWaalsContact C-N 3.27Å; I23-K25 PolarHBondContact O-N 2.98Å; K25-K35 PolarHBondContact O-NZ 3.09Å
26	S	96.3	Very high	95.2	Very high	19 Å²	19	80.4 Å²	80.4	13%	0.133	42%	0.416	C	S	.	.			trans	-100.2	137.3	178	-58.6	0	0	0	0	109.5	L22 I23 E31 A32 K35	L22-S26 PolarHBondContact O-N 3.09Å; L22-S26 PolarHBondContact O-OG 3.03Å; I23-S26 PolarHBondContact O-N 3.48Å; S26-E31 VanDerWaalsContact CA-OE2 3.3Å; S26-E31 WeakPolarHBondContact CA-OE2 3.15Å; S26-A32 VanDerWaalsContact OG-CA 3.3Å; S26-A32 WeakPolarHBondContact OG-CA 3.34Å; S26-K35 WeakPolarHBondContact OG-CD 3.27Å
27	D	95.9	Very high	95.4	Very high	148 Å²	148	80.9 Å²	80.9	79%	0.791	42%	0.423	S	S	*	.	S	Bend	trans	-73.2	-33.4	-175.9	-64.9	-25.6	0	0	0	111.3	E31	D27-E31 PolarHBondContact N-OE2 3.23Å
28	D	97.4	Very high	95.3	Very high	86 Å²	86	84.4 Å²	84.4	46%	0.46	43%	0.429	S	S	.	.	S	Bend	trans	-146.3	173.4	178.3	68	59.8	0	0	0	112.3	I30 E31 A32	D28-I30 VanDerWaalsContact C-N 3.33Å; D28-I30 PolarHBondContact O-N 3.3Å; D28-I30 WeakPolarHBondContact OD1-CA 3.49Å; D28-I30 VanDerWaalsContact OD1-CB 3.27Å; D28-I30 WeakPolarHBondContact OD1-CB 3.49Å; D28-I30 PolarHBondContact OD1-N 2.65Å; D28-E31 PolarHBondContact O-N 2.79Å; D28-E31 PolarHBondContact OD1-N 2.88Å; D28-A32 WeakPolarHBondContact O-CB 3.35Å; D28-A32 PolarHBondContact O-N 3.5Å
29	S	96.2	Very high	95.4	Very high	85 Å²	85	85.8 Å²	85.8	59%	0.594	43%	0.428	S	S	*	.	H	α-helix	trans	-65	-32.6	-178.1	55.4	0	0	0	0	113.6	A32 E33	S29-A32 PolarHBondContact O-N 3.47Å; S29-E33 WeakPolarHBondContact O-CG 3.38Å; S29-E33 PolarHBondContact O-N 2.91Å
30	I	96.1	Very high	95.3	Very high	92 Å²	92	87.1 Å²	87.1	47%	0.472	43%	0.433	S	S	.	.	H	α-helix	trans	-71.1	-43.6	179.5	-58.8	174.2	0	0	0	109.5	D28 A32 E33 R34	D28-I30 VanDerWaalsContact C-N 3.33Å; D28-I30 PolarHBondContact O-N 3.3Å; D28-I30 WeakPolarHBondContact OD1-CA 3.49Å; D28-I30 VanDerWaalsContact OD1-CB 3.27Å; D28-I30 WeakPolarHBondContact OD1-CB 3.49Å; D28-I30 PolarHBondContact OD1-N 2.65Å; I30-A32 VanDerWaalsContact C-N 3.34Å; I30-E33 PolarHBondContact O-N 3.05Å; I30-R34 WeakPolarHBondContact O-CG 3.15Å; I30-R34 PolarHBondContact O-N 3.19Å; I30-R34 VanDerWaalsContact O-N 3.09Å
31	E	96.2	Very high	95.1	Very high	50 Å²	50	84.7 Å²	84.7	23%	0.234	42%	0.423	C	S	.	.	H	α-helix	trans	-63.8	-41.8	175.2	-158.1	-158.7	-173.4	0	0	111.4	S26 D27 D28 E33 R34 K35	S26-E31 VanDerWaalsContact CA-OE2 3.3Å; S26-E31 WeakPolarHBondContact CA-OE2 3.15Å; D27-E31 PolarHBondContact N-OE2 3.23Å; D28-E31 PolarHBondContact O-N 2.79Å; D28-E31 PolarHBondContact OD1-N 2.88Å; E31-E33 PolarHBondContact O-N 3.1Å; E31-R34 PolarHBondContact O-N 3.04Å; E31-K35 VanDerWaalsContact CD-CE 3.45Å; E31-K35 HydrophobicContact CG-CD 4.25Å; E31-K35 WeakPolarHBondContact O-CB 3.38Å; E31-K35 PolarHBondContact O-N 2.85Å; E31-K35 WeakPolarHBondContact OE1-CE 3.47Å; E31-K35 IonicContact OE1-NZ 2.65Å; E31-K35 PolarHBondContact OE1-NZ 2.94Å; E31-K35 IonicContact OE2-NZ 3.49Å; E31-K35 PolarHBondContact OE2-NZ 3.16Å
32	A	96.8	Very high	95	Very high	13 Å²	13	87 Å²	87	11%	0.107	43%	0.43	C	S	.	.	H	α-helix	trans	-57.1	-48.6	174.7	0	0	0	0	0	111.4	S26 D28 S29 I30 R34 K35 L36	S26-A32 VanDerWaalsContact OG-CA 3.3Å; S26-A32 WeakPolarHBondContact OG-CA 3.34Å; D28-A32 WeakPolarHBondContact O-CB 3.35Å; D28-A32 PolarHBondContact O-N 3.5Å; S29-A32 PolarHBondContact O-N 3.47Å; I30-A32 VanDerWaalsContact C-N 3.34Å; A32-R34 VanDerWaalsContact C-N 3.34Å; A32-R34 PolarHBondContact O-N 3.29Å; A32-K35 PolarHBondContact O-N 2.96Å; A32-L36 VanDerWaalsContact O-CB 3.26Å; A32-L36 WeakPolarHBondContact O-CB 3.25Å; A32-L36 WeakPolarHBondContact O-CG 3.4Å; A32-L36 PolarHBondContact O-N 3.48Å
33	E	95.4	Very high	94.8	Very high	129 Å²	129	86.6 Å²	86.6	60%	0.603	43%	0.427	S	S	*	.	H	α-helix	trans	-60.1	-40.6	177.3	-76.2	179.9	-159.1	0	0	112.7	S29 I30 E31 T37	S29-E33 WeakPolarHBondContact O-CG 3.38Å; S29-E33 PolarHBondContact O-N 2.91Å; I30-E33 PolarHBondContact O-N 3.05Å; E31-E33 PolarHBondContact O-N 3.1Å; E33-T37 VanDerWaalsContact O-CB 3.26Å; E33-T37 WeakPolarHBondContact O-CB 3.49Å; E33-T37 PolarHBondContact O-N 3.39Å; E33-T37 PolarHBondContact O-OG1 3.02Å
34	R	92.8	Very high	94.6	Very high	175 Å²	175	85.2 Å²	85.2	66%	0.66	42%	0.42	S	S	*	.	H	α-helix	trans	-64.7	-49.8	176.4	-71.8	176.1	-173.7	142.7	2.4	111.9	I30 E31 A32 L36 T37 H38	I30-R34 WeakPolarHBondContact O-CG 3.15Å; I30-R34 PolarHBondContact O-N 3.19Å; I30-R34 VanDerWaalsContact O-N 3.09Å; E31-R34 PolarHBondContact O-N 3.04Å; A32-R34 VanDerWaalsContact C-N 3.34Å; A32-R34 PolarHBondContact O-N 3.29Å; R34-L36 PolarHBondContact O-N 3.17Å; R34-T37 PolarHBondContact O-N 3.16Å; R34-H38 WeakPolarHBondContact O-CB 3.49Å; R34-H38 PolarHBondContact O-N 2.76Å
35	K	95	Very high	94.6	Very high	63 Å²	63	77 Å²	77	27%	0.274	39%	0.386	S	S	.	.	H	α-helix	trans	-60.5	-44.4	178.4	-77.6	171.6	173.3	162.9	0	111.1	L22 K25 S26 E31 A32 H38 W39	L22-K35 HydrophobicContact CD2-CB 4.39Å; K25-K35 PolarHBondContact O-NZ 3.09Å; S26-K35 WeakPolarHBondContact OG-CD 3.27Å; E31-K35 VanDerWaalsContact CD-CE 3.45Å; E31-K35 HydrophobicContact CG-CD 4.25Å; E31-K35 WeakPolarHBondContact O-CB 3.38Å; E31-K35 PolarHBondContact O-N 2.85Å; E31-K35 WeakPolarHBondContact OE1-CE 3.47Å; E31-K35 IonicContact OE1-NZ 2.65Å; E31-K35 PolarHBondContact OE1-NZ 2.94Å; E31-K35 IonicContact OE2-NZ 3.49Å; E31-K35 PolarHBondContact OE2-NZ 3.16Å; A32-K35 PolarHBondContact O-N 2.96Å; K35-H38 PolarHBondContact O-N 3.39Å; K35-W39 WeakPolarHBondContact O-CB 3.23Å; K35-W39 PolarHBondContact O-N 2.95Å
36	L	95.5	Very high	94.5	Very high	35 Å²	35	76.1 Å²	76.1	18%	0.183	38%	0.384	C	S	.	.	H	α-helix	trans	-64.4	-44.3	176.7	-71.6	170.9	0	0	0	112	V19 L22 I23 A32 R34 H38 W39 L40	V19-L36 HydrophobicContact CB-CD2 4.36Å; V19-L36 HydrophobicContact CG1-CD2 3.89Å; V19-L36 HydrophobicContact CG2-CD2 4.33Å; L22-L36 HydrophobicContact CB-CD2 4.02Å; L22-L36 HydrophobicContact CD1-CD2 4.05Å; I23-L36 HydrophobicContact CD1-CD1 4.48Å; I23-L36 HydrophobicContact CG1-CD1 4.03Å; I23-L36 HydrophobicContact CG1-CD2 4.48Å; A32-L36 VanDerWaalsContact O-CB 3.26Å; A32-L36 WeakPolarHBondContact O-CB 3.25Å; A32-L36 WeakPolarHBondContact O-CG 3.4Å; A32-L36 PolarHBondContact O-N 3.48Å; R34-L36 PolarHBondContact O-N 3.17Å; L36-H38 VanDerWaalsContact C-N 3.34Å; L36-H38 PolarHBondContact O-N 2.82Å; L36-W39 PolarHBondContact O-N 3Å; L36-L40 WeakPolarHBondContact O-CB 3.42Å; L36-L40 VanDerWaalsContact O-CG 3.23Å; L36-L40 WeakPolarHBondContact O-CG 3.33Å; L36-L40 PolarHBondContact O-N 2.91Å
37	T	92.9	Very high	94.3	Very high	87 Å²	87	79.8 Å²	79.8	53%	0.534	40%	0.402	S	S	.	.	H	α-helix	trans	-60.5	-44.3	178	-63.3	0	0	0	0	111.6	E33 R34 T41	E33-T37 VanDerWaalsContact O-CB 3.26Å; E33-T37 WeakPolarHBondContact O-CB 3.49Å; E33-T37 PolarHBondContact O-N 3.39Å; E33-T37 PolarHBondContact O-OG1 3.02Å; R34-T37 PolarHBondContact O-N 3.16Å; T37-T41 WeakPolarHBondContact O-CB 3.44Å; T37-T41 PolarHBondContact O-N 3.44Å; T37-T41 PolarHBondContact O-OG1 3.31Å
38	H	91.7	Very high	94.3	Very high	111 Å²	111	75 Å²	75	51%	0.514	38%	0.375	S	S	.	.	H	α-helix	trans	-61.8	-51.9	176.5	178.6	62.9	0	0	0	111.2	R34 K35 L36 L40 T41 E42	R34-H38 WeakPolarHBondContact O-CB 3.49Å; R34-H38 PolarHBondContact O-N 2.76Å; K35-H38 PolarHBondContact O-N 3.39Å; L36-H38 VanDerWaalsContact C-N 3.34Å; L36-H38 PolarHBondContact O-N 2.82Å; H38-L40 PolarHBondContact O-N 3.27Å; H38-T41 WeakPolarHBondContact O-CB 3.39Å; H38-T41 PolarHBondContact O-N 3.16Å; H38-T41 VanDerWaalsContact O-N 3.09Å; H38-E42 IonicContact CE1-OE1 3.76Å; H38-E42 PolarHBondContact CE1-OE1 2.81Å; H38-E42 VanDerWaalsContact CE1-OE1 3.22Å; H38-E42 IonicContact NE2-OE1 3.94Å; H38-E42 PolarHBondContact NE2-OE1 3.25Å; H38-E42 VanDerWaalsContact NE2-OE1 3.16Å; H38-E42 PolarHBondContact O-N 2.71Å
39	W	93.9	Very high	94.4	Very high	58 Å²	58	71.8 Å²	71.8	22%	0.22	36%	0.361	C	S	.	.	H	α-helix	trans	-58.9	-43.4	178.8	-179.8	82.5	0	0	0	112.8	A15 A18 V19 L22 K35 L36 T41 E42 M43	A15-W39 HydrophobicContact CB-CH2 4.12Å; A18-W39 HydrophobicContact CB-CH2 4.37Å; A18-W39 HydrophobicContact CB-CZ2 3.61Å; V19-W39 HydrophobicContact CG2-CE3 4.13Å; V19-W39 HydrophobicContact CG2-CH2 3.94Å; V19-W39 HydrophobicContact CG2-CZ3 3.53Å; L22-W39 HydrophobicContact CD1-CB 3.56Å; L22-W39 HydrophobicContact CD1-CD2 4.04Å; L22-W39 HydrophobicContact CD1-CG 3.55Å; K35-W39 WeakPolarHBondContact O-CB 3.23Å; K35-W39 PolarHBondContact O-N 2.95Å; L36-W39 PolarHBondContact O-N 3Å; W39-T41 VanDerWaalsContact C-N 3.31Å; W39-T41 PolarHBondContact O-N 3Å; W39-E42 PolarHBondContact O-N 3.19Å; W39-M43 HydrophobicContact CH2-CE 4.31Å; W39-M43 HydrophobicContact CH2-SD 3.41Å; W39-M43 WeakPolarHBondContact CH2-SD 3.43Å; W39-M43 HydrophobicContact CZ2-SD 3.92Å; W39-M43 HydrophobicContact CZ3-CE 4.09Å; W39-M43 HydrophobicContact CZ3-SD 3.78Å; W39-M43 VanDerWaalsContact O-CB 3.28Å; W39-M43 WeakPolarHBondContact O-CB 3.43Å; W39-M43 PolarHBondContact O-N 3.42Å
40	L	92.4	Very high	94.3	Very high	74 Å²	74	72.7 Å²	72.7	39%	0.387	36%	0.357	S	S	.	.	H	α-helix	trans	-61.7	-40.1	176.1	-74.2	171.2	0	0	0	111.7	L36 H38 M43 N44	L36-L40 WeakPolarHBondContact O-CB 3.42Å; L36-L40 VanDerWaalsContact O-CG 3.23Å; L36-L40 WeakPolarHBondContact O-CG 3.33Å; L36-L40 PolarHBondContact O-N 2.91Å; H38-L40 PolarHBondContact O-N 3.27Å; L40-M43 HydrophobicContact CD2-CE 3.76Å; L40-N44 VanDerWaalsContact O-CB 3.24Å; L40-N44 WeakPolarHBondContact O-CB 3.25Å; L40-N44 PolarHBondContact O-N 3.3Å; L40-N44 PolarHBondContact O-ND2 3.03Å; L40-N44 VanDerWaalsContact O-ND2 3.07Å
41	T	92.4	Very high	94.3	Very high	53 Å²	53	70.4 Å²	70.4	33%	0.325	35%	0.352	S	S	.	.	H	α-helix	trans	-64.6	-45.7	178.3	-59	0	0	0	0	111.3	T37 H38 W39 N44 C45	T37-T41 WeakPolarHBondContact O-CB 3.44Å; T37-T41 PolarHBondContact O-N 3.44Å; T37-T41 PolarHBondContact O-OG1 3.31Å; H38-T41 WeakPolarHBondContact O-CB 3.39Å; H38-T41 PolarHBondContact O-N 3.16Å; H38-T41 VanDerWaalsContact O-N 3.09Å; W39-T41 VanDerWaalsContact C-N 3.31Å; W39-T41 PolarHBondContact O-N 3Å; T41-N44 PolarHBondContact O-N 3.12Å; T41-C45 PolarHBondContact O-N 3.12Å; T41-C45 PolarHBondContact O-SG 2.88Å
42	E	92.9	Very high	94.3	Very high	92 Å²	92	68.3 Å²	68.3	43%	0.43	34%	0.342	S	S	.	.	H	α-helix	trans	-63.6	-48.9	176.9	-68.1	-168.8	150.9	0	0	112	H38 W39 N44 C45 Q46	H38-E42 IonicContact CE1-OE1 3.76Å; H38-E42 PolarHBondContact CE1-OE1 2.81Å; H38-E42 VanDerWaalsContact CE1-OE1 3.22Å; H38-E42 IonicContact NE2-OE1 3.94Å; H38-E42 PolarHBondContact NE2-OE1 3.25Å; H38-E42 VanDerWaalsContact NE2-OE1 3.16Å; H38-E42 PolarHBondContact O-N 2.71Å; W39-E42 PolarHBondContact O-N 3.19Å; E42-N44 VanDerWaalsContact C-N 3.31Å; E42-N44 PolarHBondContact O-N 3.32Å; E42-C45 PolarHBondContact O-N 3.37Å; E42-C45 VanDerWaalsContact O-N 3.13Å; E42-Q46 WeakPolarHBondContact O-CG 3.42Å; E42-Q46 PolarHBondContact O-N 2.81Å
43	M	91.9	Very high	94.3	Very high	31 Å²	31	69.8 Å²	69.8	15%	0.153	35%	0.354	C	S	.	.	H	α-helix	trans	-58	-44.3	177.6	-179.2	-168.2	65.9	0	0	111.3	W11 W39 L40 C45 Q46 L47	W11-M43 HydrophobicContact CE3-CE 4.43Å; W11-M43 HydrophobicContact CE3-SD 4.41Å; W11-M43 HydrophobicContact CH2-CE 3.47Å; W11-M43 VanDerWaalsContact CH2-CE 3.47Å; W11-M43 HydrophobicContact CH2-SD 4.43Å; W11-M43 HydrophobicContact CZ3-CE 3.28Å; W11-M43 HydrophobicContact CZ3-SD 3.64Å; W39-M43 HydrophobicContact CH2-CE 4.31Å; W39-M43 HydrophobicContact CH2-SD 3.41Å; W39-M43 WeakPolarHBondContact CH2-SD 3.43Å; W39-M43 HydrophobicContact CZ2-SD 3.92Å; W39-M43 HydrophobicContact CZ3-CE 4.09Å; W39-M43 HydrophobicContact CZ3-SD 3.78Å; W39-M43 VanDerWaalsContact O-CB 3.28Å; W39-M43 WeakPolarHBondContact O-CB 3.43Å; W39-M43 PolarHBondContact O-N 3.42Å; L40-M43 HydrophobicContact CD2-CE 3.76Å; M43-C45 PolarHBondContact O-N 3.49Å; M43-Q46 PolarHBondContact O-N 3.15Å; M43-L47 WeakPolarHBondContact O-CB 3.27Å; M43-L47 PolarHBondContact O-N 3.16Å
44	N	92.5	Very high	94.4	Very high	63 Å²	63	69.6 Å²	69.6	34%	0.337	35%	0.348	S	S	.	.	H	α-helix	trans	-61	-44	176.1	-75.5	-25.6	0	0	0	111.6	L40 T41 E42 L47 I48	L40-N44 VanDerWaalsContact O-CB 3.24Å; L40-N44 WeakPolarHBondContact O-CB 3.25Å; L40-N44 PolarHBondContact O-N 3.3Å; L40-N44 PolarHBondContact O-ND2 3.03Å; L40-N44 VanDerWaalsContact O-ND2 3.07Å; T41-N44 PolarHBondContact O-N 3.12Å; E42-N44 VanDerWaalsContact C-N 3.31Å; E42-N44 PolarHBondContact O-N 3.32Å; N44-L47 PolarHBondContact O-N 2.88Å; N44-I48 WeakPolarHBondContact O-CB 3.47Å; N44-I48 WeakPolarHBondContact O-CD1 3.15Å; N44-I48 WeakPolarHBondContact O-CG1 3.22Å; N44-I48 PolarHBondContact O-N 2.76Å
45	C	95.6	Very high	94.6	Very high	11 Å²	11	62.5 Å²	62.5	7%	0.074	32%	0.323	C	S	.	.	H	α-helix	trans	-64	-40.9	177.4	-71.9	0	0	0	0	112	T41 E42 M43 I48 A49 Y82 L85	T41-C45 PolarHBondContact O-N 3.12Å; T41-C45 PolarHBondContact O-SG 2.88Å; E42-C45 PolarHBondContact O-N 3.37Å; E42-C45 VanDerWaalsContact O-N 3.13Å; M43-C45 PolarHBondContact O-N 3.49Å; C45-I48 PolarHBondContact O-N 2.93Å; C45-A49 VanDerWaalsContact O-CB 3.31Å; C45-A49 WeakPolarHBondContact O-CB 3.3Å; C45-A49 PolarHBondContact O-N 3.28Å; C45-Y82 PolarHBondContact SG-O 2.96Å; C45-L85 HydrophobicContact CB-CD1 4.44Å; C45-L85 VanDerWaalsContact O-CD1 3.26Å; C45-L85 WeakPolarHBondContact O-CD1 3.44Å
46	Q	94.7	Very high	94.7	Very high	124 Å²	124	59.8 Å²	59.8	58%	0.579	31%	0.311	S	S	*	.	H	α-helix	trans	-63.2	-45.7	175.4	-70.2	176.4	7.7	0	0	111.8	E42 M43 I48 A49 M50	E42-Q46 WeakPolarHBondContact O-CG 3.42Å; E42-Q46 PolarHBondContact O-N 2.81Å; M43-Q46 PolarHBondContact O-N 3.15Å; Q46-I48 VanDerWaalsContact C-N 3.34Å; Q46-I48 PolarHBondContact O-N 3.39Å; Q46-A49 PolarHBondContact O-N 3Å; Q46-M50 WeakPolarHBondContact O-CG 3.41Å; Q46-M50 PolarHBondContact O-N 3.04Å
47	L	92.9	Very high	94.8	Very high	96 Å²	96	60 Å²	60	50%	0.503	31%	0.314	S	S	.	.	H	α-helix	trans	-59	-46.3	176.8	178.7	61.7	0	0	0	111.6	M43 N44 M50 A51	M43-L47 WeakPolarHBondContact O-CB 3.27Å; M43-L47 PolarHBondContact O-N 3.16Å; N44-L47 PolarHBondContact O-N 2.88Å; L47-M50 HydrophobicContact CD1-CE 4.36Å; L47-M50 PolarHBondContact O-N 3.26Å; L47-A51 PolarHBondContact O-N 3.2Å
48	I	96	Very high	95	Very high	47 Å²	47	56.1 Å²	56.1	24%	0.241	29%	0.29	C	S	.	.	H	α-helix	trans	-64.1	-43.6	177.4	-67.2	165.6	0	0	0	110.4	N44 C45 Q46 M50 A51 L52 Y82 L85	N44-I48 WeakPolarHBondContact O-CB 3.47Å; N44-I48 WeakPolarHBondContact O-CD1 3.15Å; N44-I48 WeakPolarHBondContact O-CG1 3.22Å; N44-I48 PolarHBondContact O-N 2.76Å; C45-I48 PolarHBondContact O-N 2.93Å; Q46-I48 VanDerWaalsContact C-N 3.34Å; Q46-I48 PolarHBondContact O-N 3.39Å; I48-M50 VanDerWaalsContact C-N 3.32Å; I48-M50 PolarHBondContact O-N 3.37Å; I48-A51 PolarHBondContact O-N 3.47Å; I48-L52 HydrophobicContact CG2-CD1 4Å; I48-L52 HydrophobicContact CG2-CG 4.19Å; I48-L52 WeakPolarHBondContact O-CB 3.17Å; I48-L52 VanDerWaalsContact O-CG 3.28Å; I48-L52 WeakPolarHBondContact O-CG 3.43Å; I48-L52 PolarHBondContact O-N 2.95Å; I48-Y82 HydrophobicContact CD1-CD1 4.31Å; I48-Y82 HydrophobicContact CD1-CD2 3.53Å; I48-Y82 HydrophobicContact CD1-CE1 4.39Å; I48-Y82 HydrophobicContact CD1-CE2 3.62Å; I48-Y82 HydrophobicContact CD1-CG 3.89Å; I48-Y82 HydrophobicContact CG2-CE2 4.3Å; I48-L85 HydrophobicContact CB-CD1 4.06Å; I48-L85 HydrophobicContact CG2-CD1 3.83Å; I48-L85 HydrophobicContact CG2-CD2 3.97Å
49	A	97.8	Very high	95.3	Very high	19 Å²	19	50.9 Å²	50.9	16%	0.157	27%	0.266	C	S	.	.	H	α-helix	trans	-59.4	-42.1	177.3	0	0	0	0	0	112	C45 Q46 L52 A53 L85 T86	C45-A49 VanDerWaalsContact O-CB 3.31Å; C45-A49 WeakPolarHBondContact O-CB 3.3Å; C45-A49 PolarHBondContact O-N 3.28Å; Q46-A49 PolarHBondContact O-N 3Å; A49-L52 PolarHBondContact O-N 3.22Å; A49-A53 WeakPolarHBondContact O-CB 3.38Å; A49-A53 PolarHBondContact O-N 3.4Å; A49-L85 HydrophobicContact CB-CD1 4Å; A49-T86 VanDerWaalsContact CB-O 3.29Å; A49-T86 WeakPolarHBondContact CB-O 3.37Å
50	M	95.4	Very high	95.4	Very high	103 Å²	103	50.3 Å²	50.3	51%	0.507	26%	0.264	S	S	.	.	H	α-helix	trans	-63.5	-42.7	174.4	-71.8	-172.6	-73.8	0	0	112.2	Q46 L47 I48 A53 R54	Q46-M50 WeakPolarHBondContact O-CG 3.41Å; Q46-M50 PolarHBondContact O-N 3.04Å; L47-M50 HydrophobicContact CD1-CE 4.36Å; L47-M50 PolarHBondContact O-N 3.26Å; I48-M50 VanDerWaalsContact C-N 3.32Å; I48-M50 PolarHBondContact O-N 3.37Å; M50-A53 PolarHBondContact O-N 3.28Å; M50-R54 WeakPolarHBondContact O-CG 3.48Å; M50-R54 PolarHBondContact O-N 3.42Å
51	A	95.4	Very high	95.7	Very high	45 Å²	45	50.1 Å²	50.1	37%	0.372	26%	0.261	S	S	.	.	H	α-helix	trans	-62.7	-43.5	175.9	0	0	0	0	0	111.5	L47 I48 A53 R54 I55	L47-A51 PolarHBondContact O-N 3.2Å; I48-A51 PolarHBondContact O-N 3.47Å; A51-A53 PolarHBondContact O-N 3.4Å; A51-R54 WeakPolarHBondContact O-CB 3.32Å; A51-R54 PolarHBondContact O-N 3.1Å; A51-I55 WeakPolarHBondContact O-CG1 3.49Å; A51-I55 PolarHBondContact O-N 3.5Å
52	L	97	Very high	95.9	Very high	6 Å²	6	48.4 Å²	48.4	3%	0.031	25%	0.25	C	C	.	.	H	α-helix	trans	-64.6	-38.2	177	-71.5	-178.6	0	0	0	112.5	I48 A49 R54 I55 D56 L85 Y87 L102 M106	I48-L52 HydrophobicContact CG2-CD1 4Å; I48-L52 HydrophobicContact CG2-CG 4.19Å; I48-L52 WeakPolarHBondContact O-CB 3.17Å; I48-L52 VanDerWaalsContact O-CG 3.28Å; I48-L52 WeakPolarHBondContact O-CG 3.43Å; I48-L52 PolarHBondContact O-N 2.95Å; A49-L52 PolarHBondContact O-N 3.22Å; L52-R54 VanDerWaalsContact C-N 3.28Å; L52-R54 PolarHBondContact O-N 3.19Å; L52-I55 PolarHBondContact O-N 3.3Å; L52-D56 WeakPolarHBondContact O-CB 3.3Å; L52-D56 PolarHBondContact O-N 3.46Å; L52-L85 HydrophobicContact CD1-CD2 3.65Å; L52-Y87 HydrophobicContact CD1-CD2 4.38Å; L52-Y87 HydrophobicContact CD1-CG 4.29Å; L52-L102 HydrophobicContact CB-CD2 4.25Å; L52-L102 HydrophobicContact CD2-CD1 4.17Å; L52-M106 HydrophobicContact CD2-CE 3.92Å; L52-M106 HydrophobicContact CD2-CG 4.06Å; L52-M106 HydrophobicContact CD2-SD 3.79Å
53	A	97.2	Very high	96.1	Very high	43 Å²	43	45.1 Å²	45.1	36%	0.355	23%	0.234	S	C	.	.	H	α-helix	trans	-62.6	-34.8	175.2	0	0	0	0	0	112.7	A49 M50 A51 T57	A49-A53 WeakPolarHBondContact O-CB 3.38Å; A49-A53 PolarHBondContact O-N 3.4Å; M50-A53 PolarHBondContact O-N 3.28Å; A51-A53 PolarHBondContact O-N 3.4Å; A53-T57 PolarHBondContact O-N 3.19Å; A53-T57 PolarHBondContact O-OG1 3.07Å
54	R	96.2	Very high	96.3	Very high	126 Å²	126	49 Å²	49	48%	0.475	25%	0.25	S	C	.	.	H	α-helix	trans	-68	-47.4	173.1	-67.4	175.4	-179.1	168.9	1.1	110.9	M50 A51 L52 D56 T57 E58 A438 I442	M50-R54 WeakPolarHBondContact O-CG 3.48Å; M50-R54 PolarHBondContact O-N 3.42Å; A51-R54 WeakPolarHBondContact O-CB 3.32Å; A51-R54 PolarHBondContact O-N 3.1Å; L52-R54 VanDerWaalsContact C-N 3.28Å; L52-R54 PolarHBondContact O-N 3.19Å; R54-D56 PolarHBondContact O-N 3.29Å; R54-T57 WeakPolarHBondContact O-CB 3.37Å; R54-T57 PolarHBondContact O-N 2.85Å; R54-T57 VanDerWaalsContact O-N 3.17Å; R54-E58 PolarHBondContact O-N 3.47Å; R54-E58 VanDerWaalsContact O-N 3.17Å; R54-A438 HydrophobicContact CB-CB 4.32Å; R54-I442 VanDerWaalsContact NH1-CD1 3.32Å
55	I	96.7	Very high	96.5	Very high	25 Å²	25	52.3 Å²	52.3	13%	0.128	27%	0.272	C	S	.	.	H	α-helix	trans	-60.2	-44.5	176.6	-66.9	168.7	0	0	0	111.2	A51 L52 T57 E58 L59 L102 M431 A434 V435	A51-I55 WeakPolarHBondContact O-CG1 3.49Å; A51-I55 PolarHBondContact O-N 3.5Å; L52-I55 PolarHBondContact O-N 3.3Å; I55-T57 PolarHBondContact O-N 3.44Å; I55-E58 PolarHBondContact O-N 3.3Å; I55-L59 HydrophobicContact CG2-CD1 3.94Å; I55-L59 HydrophobicContact CG2-CG 4.19Å; I55-L59 WeakPolarHBondContact O-CB 3.31Å; I55-L59 WeakPolarHBondContact O-CG 3.42Å; I55-L59 PolarHBondContact O-N 2.84Å; I55-L102 HydrophobicContact CB-CD1 4.43Å; I55-L102 HydrophobicContact CG2-CD1 4.03Å; I55-M431 HydrophobicContact CD1-CE 4.27Å; I55-M431 HydrophobicContact CG2-CE 3.96Å; I55-M431 HydrophobicContact CG2-SD 3.91Å; I55-A434 HydrophobicContact CG2-CB 4.49Å; I55-V435 HydrophobicContact CD1-CG2 4.19Å; I55-V435 HydrophobicContact CG1-CG2 4.37Å
56	D	97.7	Very high	96.6	Very high	6 Å²	6	56.1 Å²	56.1	3%	0.032	29%	0.289	C	S	.	.	H	α-helix	trans	-58.4	-37.5	176.8	-173.3	75	0	0	0	112	L52 R54 Y60 R90 L102	L52-D56 WeakPolarHBondContact O-CB 3.3Å; L52-D56 PolarHBondContact O-N 3.46Å; R54-D56 PolarHBondContact O-N 3.29Å; D56-Y60 WeakPolarHBondContact O-CB 3.49Å; D56-Y60 PolarHBondContact O-N 3.11Å; D56-R90 PolarHBondContact OD1-N 3.48Å; D56-R90 WeakPolarHBondContact OD2-CD 3.43Å; D56-R90 WeakPolarHBondContact OD2-CG 3.39Å; D56-R90 IonicContact OD2-CZ 3.03Å; D56-R90 PolarHBondContact OD2-N 2.99Å; D56-R90 IonicContact OD2-NE 2.76Å; D56-R90 IonicContact OD2-NH1 3.81Å; D56-R90 PolarHBondContact OD2-NH1 3.05Å; D56-L102 HydrophobicContact CB-CD1 4.38Å; D56-L102 HydrophobicContact CB-CD2 4Å
57	T	97.4	Very high	96.7	Very high	39 Å²	39	52.6 Å²	52.6	24%	0.239	29%	0.286	C	S	.	.	H	α-helix	trans	-66.1	-42.5	177.1	-62.6	0	0	0	0	112.1	A53 R54 I55 Y60 Q61 R90	A53-T57 PolarHBondContact O-N 3.19Å; A53-T57 PolarHBondContact O-OG1 3.07Å; R54-T57 WeakPolarHBondContact O-CB 3.37Å; R54-T57 PolarHBondContact O-N 2.85Å; R54-T57 VanDerWaalsContact O-N 3.17Å; I55-T57 PolarHBondContact O-N 3.44Å; T57-Y60 PolarHBondContact O-N 3.49Å; T57-Q61 WeakPolarHBondContact O-CG 3.35Å; T57-Q61 PolarHBondContact O-N 2.97Å; T57-R90 PolarHBondContact OG1-NH1 2.87Å
58	E	97.2	Very high	96.9	Very high	7 Å²	7	50 Å²	50	3%	0.033	27%	0.269	C	S	.	.	H	α-helix	trans	-73.2	-37.8	176.6	-56.2	-46.9	136	0	0	112.4	R54 I55 Y60 Q61 I62 A434 Q437 A438 R441	R54-E58 PolarHBondContact O-N 3.47Å; R54-E58 VanDerWaalsContact O-N 3.17Å; I55-E58 PolarHBondContact O-N 3.3Å; E58-Y60 VanDerWaalsContact C-N 3.25Å; E58-Y60 PolarHBondContact O-N 2.79Å; E58-Q61 PolarHBondContact O-N 3.09Å; E58-Q61 VanDerWaalsContact O-N 3.11Å; E58-I62 WeakPolarHBondContact O-CG1 3.38Å; E58-I62 PolarHBondContact O-N 2.86Å; E58-A434 HydrophobicContact CB-CB 3.78Å; E58-A434 WeakPolarHBondContact CB-O 3.35Å; E58-A434 WeakPolarHBondContact CG-O 3.47Å; E58-Q437 HydrophobicContact CB-CB 4.2Å; E58-Q437 HydrophobicContact CG-CB 3.82Å; E58-A438 HydrophobicContact CG-CB 3.99Å; E58-R441 WeakPolarHBondContact OE1-CD 3.47Å; E58-R441 IonicContact OE1-CZ 2.64Å; E58-R441 IonicContact OE1-NE 3.18Å; E58-R441 PolarHBondContact OE1-NE 2.91Å; E58-R441 IonicContact OE1-NH1 3.73Å; E58-R441 PolarHBondContact OE1-NH1 2.98Å; E58-R441 IonicContact OE1-NH2 3.24Å; E58-R441 IonicContact OE2-CZ 3.6Å; E58-R441 IonicContact OE2-NE 3.68Å; E58-R441 IonicContact OE2-NH1 2.62Å; E58-R441 IonicContact OE2-NH2 3.7Å
59	L	97.1	Very high	97	Very high	1 Å²	1	55.5 Å²	55.5	1%	0.005	29%	0.287	C	S	.	.	H	α-helix	trans	-55.5	-45.3	171.4	-77.3	173.9	0	0	0	110.2	I55 Q61 I62 Y63 P101 L102 K105 A434	I55-L59 HydrophobicContact CG2-CD1 3.94Å; I55-L59 HydrophobicContact CG2-CG 4.19Å; I55-L59 WeakPolarHBondContact O-CB 3.31Å; I55-L59 WeakPolarHBondContact O-CG 3.42Å; I55-L59 PolarHBondContact O-N 2.84Å; L59-Q61 PolarHBondContact O-N 3.31Å; L59-I62 WeakPolarHBondContact O-CB 3.38Å; L59-I62 PolarHBondContact O-N 3.08Å; L59-Y63 HydrophobicContact CD2-CE2 4.39Å; L59-Y63 WeakPolarHBondContact O-CD2 3.42Å; L59-Y63 PolarHBondContact O-N 3.03Å; L59-P101 HydrophobicContact CD1-CB 4.46Å; L59-L102 HydrophobicContact CD1-CB 4.45Å; L59-L102 HydrophobicContact CD1-CD1 4.11Å; L59-K105 HydrophobicContact CD1-CG 4.18Å; L59-K105 HydrophobicContact CD2-CG 4.26Å; L59-A434 HydrophobicContact CB-CB 4.49Å; L59-A434 HydrophobicContact CD2-CB 3.71Å; L59-A434 HydrophobicContact CG-CB 3.73Å
60	Y	97.7	Very high	97	Very high	46 Å²	46	56.9 Å²	56.9	18%	0.18	29%	0.293	C	S	.	.	H	α-helix	trans	-60.1	-41.5	176.4	173.6	-122.6	0	0	0	112.7	D56 T57 E58 I62 Y63 K64 V70 L92	D56-Y60 WeakPolarHBondContact O-CB 3.49Å; D56-Y60 PolarHBondContact O-N 3.11Å; T57-Y60 PolarHBondContact O-N 3.49Å; E58-Y60 VanDerWaalsContact C-N 3.25Å; E58-Y60 PolarHBondContact O-N 2.79Å; Y60-I62 PolarHBondContact O-N 3.31Å; Y60-Y63 PolarHBondContact O-N 3.34Å; Y60-K64 HydrophobicContact CD2-CB 4.39Å; Y60-K64 HydrophobicContact CE1-CD 4.31Å; Y60-K64 HydrophobicContact CE2-CB 3.96Å; Y60-K64 HydrophobicContact CE2-CG 4.39Å; Y60-K64 WeakPolarHBondContact O-CB 3.38Å; Y60-K64 PolarHBondContact O-N 3.39Å; Y60-V70 HydrophobicContact CD1-CG2 4.48Å; Y60-V70 HydrophobicContact CD2-CG2 3.8Å; Y60-V70 HydrophobicContact CE1-CG2 4.1Å; Y60-V70 HydrophobicContact CE2-CG2 3.39Å; Y60-V70 HydrophobicContact CG-CG2 4.33Å; Y60-L92 HydrophobicContact CD2-CD1 4.44Å; Y60-L92 HydrophobicContact CD2-CD2 3.79Å; Y60-L92 HydrophobicContact CE2-CD2 4.27Å
61	Q	97.5	Very high	97.1	Very high	70 Å²	70	54.3 Å²	54.3	33%	0.327	29%	0.288	S	S	.	.	H	α-helix	trans	-59	-38.5	176.8	-61.3	-50	-45.1	0	0	112	T57 E58 L59 V65	T57-Q61 WeakPolarHBondContact O-CG 3.35Å; T57-Q61 PolarHBondContact O-N 2.97Å; E58-Q61 PolarHBondContact O-N 3.09Å; E58-Q61 VanDerWaalsContact O-N 3.11Å; L59-Q61 PolarHBondContact O-N 3.31Å; Q61-V65 WeakPolarHBondContact O-CG2 3.28Å; Q61-V65 PolarHBondContact O-N 2.92Å
62	I	96.6	Very high	97.2	Very high	17 Å²	17	59 Å²	59	9%	0.087	30%	0.296	C	S	.	.	H	α-helix	trans	-66	-49.1	177.7	-63	167.1	0	0	0	110.9	E58 L59 Y60 A430 K433 A434	E58-I62 WeakPolarHBondContact O-CG1 3.38Å; E58-I62 PolarHBondContact O-N 2.86Å; L59-I62 WeakPolarHBondContact O-CB 3.38Å; L59-I62 PolarHBondContact O-N 3.08Å; Y60-I62 PolarHBondContact O-N 3.31Å; I62-A430 VanDerWaalsContact CD1-O 3.28Å; I62-A430 WeakPolarHBondContact CD1-O 3.45Å; I62-A430 HydrophobicContact CG2-CB 4.48Å; I62-K433 HydrophobicContact CD1-CB 3.8Å; I62-K433 HydrophobicContact CD1-CD 4.02Å; I62-K433 HydrophobicContact CD1-CG 3.88Å; I62-K433 HydrophobicContact CG1-CD 4.12Å; I62-K433 HydrophobicContact CG1-CG 4.39Å; I62-A434 HydrophobicContact CD1-CB 4Å
63	Y	97.5	Very high	97.2	Very high	22 Å²	22	66.3 Å²	66.3	9%	0.086	32%	0.324	C	S	.	.	H	α-helix	trans	-73.1	-28.8	-178.5	-74.5	-72.4	0	0	0	113	L59 Y60 V65 Q66 G67 W68 L92 F99 P101	L59-Y63 HydrophobicContact CD2-CE2 4.39Å; L59-Y63 WeakPolarHBondContact O-CD2 3.42Å; L59-Y63 PolarHBondContact O-N 3.03Å; Y60-Y63 PolarHBondContact O-N 3.34Å; Y63-V65 VanDerWaalsContact C-N 3.31Å; Y63-V65 PolarHBondContact O-N 2.9Å; Y63-Q66 CarbonylContact O-C 3.51Å; Y63-Q66 WeakPolarHBondContact O-CA 3.3Å; Y63-Q66 WeakPolarHBondContact O-CB 3.46Å; Y63-Q66 PolarHBondContact O-N 3.15Å; Y63-G67 PolarHBondContact O-N 2.83Å; Y63-W68 AromaticContact CD1-CD1 3.81Å; Y63-W68 HydrophobicContact CD1-CG 4.33Å; Y63-W68 AromaticContact CD1-NE1 3.87Å; Y63-W68 WeakPolarHBondContact O-CB 3.4Å; Y63-W68 PolarHBondContact O-N 3.35Å; Y63-W68 VanDerWaalsContact O-N 3.1Å; Y63-L92 VanDerWaalsContact CB-CD1 3.46Å; Y63-L92 HydrophobicContact CD2-CD1 3.96Å; Y63-L92 HydrophobicContact CG-CD1 3.82Å; Y63-F99 HydrophobicContact CD1-CZ 4.16Å; Y63-F99 AromaticContact CE1-CZ 3.71Å; Y63-F99 HydrophobicContact CE1-CZ 3.71Å; Y63-F99 HydrophobicContact CE2-CZ 4.37Å; Y63-F99 AromaticContact CZ-CZ 3.82Å; Y63-P101 HydrophobicContact CD2-CB 4.09Å; Y63-P101 HydrophobicContact CD2-CG 4.08Å; Y63-P101 HydrophobicContact CE2-CB 3.63Å; Y63-P101 HydrophobicContact CE2-CG 4.06Å
64	K	97.3	Very high	97.2	Very high	113 Å²	113	66 Å²	66	49%	0.491	32%	0.316	S	S	.	.	H	α-helix	trans	-57.9	-44.6	174.8	-175.9	-175	177.9	-171.8	0	111.2	Y60 Q66 G67	Y60-K64 HydrophobicContact CD2-CB 4.39Å; Y60-K64 HydrophobicContact CE1-CD 4.31Å; Y60-K64 HydrophobicContact CE2-CB 3.96Å; Y60-K64 HydrophobicContact CE2-CG 4.39Å; Y60-K64 WeakPolarHBondContact O-CB 3.38Å; Y60-K64 PolarHBondContact O-N 3.39Å; K64-Q66 PolarHBondContact O-N 2.71Å; K64-G67 PolarHBondContact O-N 3.12Å
65	V	96.6	Very high	97.3	Very high	132 Å²	132	63.7 Å²	63.7	80%	0.8	32%	0.319	S	S	*	.	H	α-helix	trans	-62.6	-26.3	176.1	176.2	0	0	0	0	111.9	Q61 Y63 G67	Q61-V65 WeakPolarHBondContact O-CG2 3.28Å; Q61-V65 PolarHBondContact O-N 2.92Å; Y63-V65 VanDerWaalsContact C-N 3.31Å; Y63-V65 PolarHBondContact O-N 2.9Å; V65-G67 VanDerWaalsContact C-N 3.26Å; V65-G67 PolarHBondContact O-N 3.02Å
66	Q	96.1	Very high	97.3	Very high	92 Å²	92	64 Å²	64	43%	0.43	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	6.2	176.4	-60	170.6	12.8	0	0	113.2	Y63 K64 K94	Y63-Q66 CarbonylContact O-C 3.51Å; Y63-Q66 WeakPolarHBondContact O-CA 3.3Å; Y63-Q66 WeakPolarHBondContact O-CB 3.46Å; Y63-Q66 PolarHBondContact O-N 3.15Å; K64-Q66 PolarHBondContact O-N 2.71Å; Q66-K94 PolarHBondContact O-NZ 2.78Å
67	G	97	Very high	97.3	Very high	50 Å²	50	66 Å²	66	52%	0.515	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.2	13.4	178.6	0	0	0	0	0	115.1	Y63 K64 V65	Y63-G67 PolarHBondContact O-N 2.83Å; K64-G67 PolarHBondContact O-N 3.12Å; V65-G67 VanDerWaalsContact C-N 3.26Å; V65-G67 PolarHBondContact O-N 3.02Å
68	W	98.3	Very high	97.3	Very high	42 Å²	42	64.2 Å²	64.2	16%	0.159	32%	0.32	C	S	.	.			trans	-81.8	137.4	173.9	-66.3	81.3	0	0	0	111.4	Y63 L92 Q93 K94 K97 F99	Y63-W68 AromaticContact CD1-CD1 3.81Å; Y63-W68 HydrophobicContact CD1-CG 4.33Å; Y63-W68 AromaticContact CD1-NE1 3.87Å; Y63-W68 WeakPolarHBondContact O-CB 3.4Å; Y63-W68 PolarHBondContact O-N 3.35Å; Y63-W68 VanDerWaalsContact O-N 3.1Å; W68-L92 HydrophobicContact CB-CB 4.31Å; W68-L92 HydrophobicContact CB-CD1 4.16Å; W68-L92 HydrophobicContact CD2-CB 4.46Å; W68-L92 HydrophobicContact CE3-CB 3.84Å; W68-Q93 VanDerWaalsContact CE3-C 3.41Å; W68-K94 HydrophobicContact CD2-CB 3.62Å; W68-K94 HydrophobicContact CD2-CD 4.41Å; W68-K94 HydrophobicContact CE3-CB 3.55Å; W68-K94 HydrophobicContact CG-CB 4.18Å; W68-K94 HydrophobicContact CG-CD 4.46Å; W68-K94 HydrophobicContact CH2-CB 4.12Å; W68-K94 HydrophobicContact CZ2-CB 4.2Å; W68-K94 HydrophobicContact CZ3-CB 3.8Å; W68-K97 HydrophobicContact CH2-CB 4.18Å; W68-F99 AromaticContact CD2-CE1 4Å; W68-F99 HydrophobicContact CD2-CE1 4Å; W68-F99 AromaticContact CE2-CE1 3.96Å; W68-F99 HydrophobicContact CE3-CD1 4.17Å; W68-F99 AromaticContact CE3-CE1 3.72Å; W68-F99 HydrophobicContact CE3-CE1 3.72Å; W68-F99 AromaticContact CH2-CD1 3.65Å; W68-F99 HydrophobicContact CH2-CD1 3.65Å; W68-F99 AromaticContact CH2-CE1 3.42Å; W68-F99 HydrophobicContact CH2-CE1 3.42Å; W68-F99 VanDerWaalsContact CH2-CE1 3.42Å; W68-F99 HydrophobicContact CZ2-CD1 4.36Å; W68-F99 AromaticContact CZ2-CE1 3.69Å; W68-F99 HydrophobicContact CZ2-CE1 3.69Å; W68-F99 AromaticContact CZ3-CD1 3.53Å; W68-F99 HydrophobicContact CZ3-CD1 3.53Å; W68-F99 AromaticContact CZ3-CE1 3.43Å; W68-F99 HydrophobicContact CZ3-CE1 3.43Å; W68-F99 VanDerWaalsContact CZ3-CE1 3.43Å
69	R	97.5	Very high	97.2	Very high	161 Å²	161	64.2 Å²	64.2	61%	0.608	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.5	153.1	173.8	67.9	-176.7	-176	-160.2	2.3	111.5	A71 L92 Q93	R69-A71 PolarHBondContact O-N 3.47Å; R69-L92 WeakPolarHBondContact O-CA 3.32Å; R69-Q93 PolarHBondContact N-O 3.42Å; R69-Q93 PolarHBondContact O-N 2.83Å
70	V	98.1	Very high	97.1	Very high	48 Å²	48	64.2 Å²	64.2	29%	0.291	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	121.2	170.1	-177.6	0	0	0	0	108.2	Y60 R90 L92	Y60-V70 HydrophobicContact CD1-CG2 4.48Å; Y60-V70 HydrophobicContact CD2-CG2 3.8Å; Y60-V70 HydrophobicContact CE1-CG2 4.1Å; Y60-V70 HydrophobicContact CE2-CG2 3.39Å; Y60-V70 HydrophobicContact CG-CG2 4.33Å; V70-R90 HydrophobicContact CG1-CG 4.31Å; V70-R90 HydrophobicContact CG2-CG 4.43Å; V70-L92 HydrophobicContact CG2-CD2 4.03Å
71	A	97.4	Very high	96.8	Very high	49 Å²	49	70.5 Å²	70.5	41%	0.405	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	-45.5	170.3	0	0	0	0	0	110.7	R69 L91 Q93	R69-A71 PolarHBondContact O-N 3.47Å; A71-L91 HydrophobicContact CB-CB 4.46Å; A71-L91 HydrophobicContact CB-CD2 4.22Å; A71-L91 HydrophobicContact CB-CG 4.23Å; A71-L91 PolarHBondContact N-O 2.67Å; A71-Q93 HydrophobicContact CB-CB 4.21Å
72	R	97.2	Very high	96.5	Very high	143 Å²	143	71.1 Å²	71.1	54%	0.54	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164	174.7	175.5	61.4	-178	-177.6	-146.3	-3	111.8	D74 L91	R72-D74 WeakPolarHBondContact CD-OD1 3.46Å; R72-D74 IonicContact CZ-OD2 2.64Å; R72-D74 IonicContact NE-OD1 3.85Å; R72-D74 PolarHBondContact NE-OD1 3.03Å; R72-D74 IonicContact NE-OD2 3.72Å; R72-D74 PolarHBondContact NE-OD2 3.34Å; R72-L91 HydrophobicContact CG-CB 4.01Å; R72-L91 HydrophobicContact CG-CD2 4.13Å; R72-L91 PolarHBondContact O-N 3.37Å
73	R	97.7	Very high	96.3	Very high	161 Å²	161	71.1 Å²	71.1	61%	0.608	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117	132.3	169.9	-65.5	-174.9	-171.4	-172.1	7	108.9	T88 R89 R90	R73-T88 HydrophobicContact CB-CG2 4.18Å; R73-R89 WeakPolarHBondContact CA-O 3.46Å; R73-R90 HydrophobicContact CG-CG 3.97Å
74	D	97.5	Very high	96.1	Very high	37 Å²	37	75.8 Å²	75.8	20%	0.198	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	140.5	-176	-62.2	-45.8	0	0	0	109.5	R72 T88 R89 Y100	R72-D74 WeakPolarHBondContact CD-OD1 3.46Å; R72-D74 IonicContact CZ-OD2 2.64Å; R72-D74 IonicContact NE-OD1 3.85Å; R72-D74 PolarHBondContact NE-OD1 3.03Å; R72-D74 IonicContact NE-OD2 3.72Å; R72-D74 PolarHBondContact NE-OD2 3.34Å; D74-T88 WeakPolarHBondContact O-CA 3.34Å; D74-R89 PolarHBondContact N-O 2.81Å; D74-R89 PolarHBondContact O-N 2.9Å; D74-R89 PolarHBondContact O-NH1 2.9Å; D74-Y100 HydrophobicContact CB-CE1 4.19Å; D74-Y100 WeakPolarHBondContact OD2-CE1 3.39Å; D74-Y100 VanDerWaalsContact OD2-CZ 3.32Å; D74-Y100 PolarHBondContact OD2-OH 3.32Å
75	S	97.6	Very high	96.1	Very high	77 Å²	77	70.4 Å²	70.4	54%	0.538	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	149.5	165.8	-171.6	0	0	0	0	110.4	T86 Y87 R89	S75-T86 WeakPolarHBondContact OG-CG2 3.48Å; S75-Y87 WeakPolarHBondContact CA-O 3.43Å; S75-R89 PolarHBondContact O-NH1 3.23Å
76	R	97.4	Very high	96.2	Very high	32 Å²	32	67.5 Å²	67.5	12%	0.121	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	141	173.9	173	176.1	-171.5	-165.9	0.2	110.4	I78 T86 Y87 R89 D103 F108 E109 K112	R76-I78 HydrophobicContact CG-CD1 4.24Å; R76-I78 HydrophobicContact CG-CG1 4.11Å; R76-I78 VanDerWaalsContact CZ-CD1 3.47Å; R76-I78 VanDerWaalsContact NH2-CD1 3.31Å; R76-T86 WeakPolarHBondContact O-CA 3.09Å; R76-Y87 HydrophobicContact CB-CE1 4.35Å; R76-Y87 HydrophobicContact CG-CE1 4.32Å; R76-Y87 PolarHBondContact N-O 3.17Å; R76-Y87 VanDerWaalsContact O-CD1 3.29Å; R76-Y87 WeakPolarHBondContact O-CD1 3.21Å; R76-Y87 PolarHBondContact O-N 3.39Å; R76-R89 VanDerWaalsContact CB-NH1 3.29Å; R76-D103 IonicContact CZ-OD2 3.22Å; R76-D103 IonicContact NH1-OD2 2.7Å; R76-D103 PolarHBondContact NH1-OD2 3.13Å; R76-F108 PolarHBondContact NH1-O 3.14Å; R76-E109 PolarHBondContact NH2-O 3.33Å; R76-K112 PolarHBondContact NH2-O 3Å
77	T	97.1	Very high	96.2	Very high	47 Å²	47	63.4 Å²	63.4	29%	0.288	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	130.7	172.8	-50.8	0	0	0	0	110	E84 L85 T86 H113	T77-E84 HydrophobicContact CG2-CB 4.19Å; T77-L85 CarbonylContact C-O 3.56Å; T77-L85 VanDerWaalsContact CA-O 3.29Å; T77-L85 WeakPolarHBondContact CA-O 3.47Å; T77-T86 WeakPolarHBondContact CG2-OG1 3.07Å; T77-T86 PolarHBondContact OG1-OG1 2.81Å; T77-H113 PolarHBondContact O-ND1 3.04Å
78	I	96.6	Very high	96.3	Very high	1 Å²	1	64.3 Å²	64.3	1%	0.005	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	128.8	175.7	-65.3	-67	0	0	0	109.4	R76 C80 L85 Y87 F108 K112 H113	R76-I78 HydrophobicContact CG-CD1 4.24Å; R76-I78 HydrophobicContact CG-CG1 4.11Å; R76-I78 VanDerWaalsContact CZ-CD1 3.47Å; R76-I78 VanDerWaalsContact NH2-CD1 3.31Å; I78-C80 PolarHBondContact O-N 3.43Å; I78-L85 PolarHBondContact N-O 3.49Å; I78-L85 PolarHBondContact O-N 3.24Å; I78-Y87 HydrophobicContact CB-CE1 4.48Å; I78-Y87 HydrophobicContact CG1-CE1 3.93Å; I78-F108 HydrophobicContact CG1-CG 4.49Å; I78-F108 HydrophobicContact CG2-CD1 4.2Å; I78-F108 HydrophobicContact CG2-CE1 4.17Å; I78-K112 WeakPolarHBondContact CD1-O 3.4Å; I78-H113 CarbonylContact C-O 3.52Å; I78-H113 WeakPolarHBondContact CA-O 3.42Å
79	C	95.5	Very high	96.2	Very high	8 Å²	8	63.3 Å²	63.3	5%	0.054	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	109.9	169.2	-170	0	0	0	0	109.7	H113 Y114 S115 M118	C79-H113 PolarHBondContact N-O 3.16Å; C79-Y114 HydrophobicContact CB-CD1 3.6Å; C79-Y114 HydrophobicContact CB-CE1 3.88Å; C79-Y114 HydrophobicContact CB-CG 4.47Å; C79-S115 PolarHBondContact O-N 2.97Å; C79-S115 PolarHBondContact O-OG 3.41Å; C79-M118 VanDerWaalsContact O-CB 3.29Å; C79-M118 WeakPolarHBondContact O-CB 3.41Å
80	C	95.2	Very high	96.2	Very high	1 Å²	1	56.7 Å²	56.7	1%	0.007	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	163.3	-179.7	-73.9	0	0	0	0	111	I78 Y82 G83 S115 M118	I78-C80 PolarHBondContact O-N 3.43Å; C80-Y82 HydrophobicContact CB-CD1 4.1Å; C80-Y82 HydrophobicContact CB-CD2 3.69Å; C80-Y82 HydrophobicContact CB-CE1 3.78Å; C80-Y82 HydrophobicContact CB-CE2 3.34Å; C80-Y82 HydrophobicContact CB-CG 4.07Å; C80-Y82 PolarHBondContact O-N 3.15Å; C80-Y82 VanDerWaalsContact SG-CZ 3.56Å; C80-Y82 PolarHBondContact SG-OH 2.92Å; C80-G83 WeakPolarHBondContact CA-O 3.33Å; C80-G83 WeakPolarHBondContact CB-O 3.04Å; C80-G83 PolarHBondContact N-O 3.36Å; C80-G83 PolarHBondContact O-N 3.36Å; C80-S115 WeakPolarHBondContact CA-OG 3.4Å; C80-M118 WeakPolarHBondContact O-CE 3.36Å
81	R	91.6	Very high	96.2	Very high	178 Å²	178	55.3 Å²	55.3	67%	0.672	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-23.3	175.3	-175.1	171.3	178.8	165.3	-0.3	113.5
82	Y	90.6	Very high	96.3	Very high	82 Å²	82	53 Å²	53	32%	0.322	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	12.2	179.9	48.1	-104.7	0	0	0	113.8	C45 I48 C80 L85	C45-Y82 PolarHBondContact SG-O 2.96Å; I48-Y82 HydrophobicContact CD1-CD1 4.31Å; I48-Y82 HydrophobicContact CD1-CD2 3.53Å; I48-Y82 HydrophobicContact CD1-CE1 4.39Å; I48-Y82 HydrophobicContact CD1-CE2 3.62Å; I48-Y82 HydrophobicContact CD1-CG 3.89Å; I48-Y82 HydrophobicContact CG2-CE2 4.3Å; C80-Y82 HydrophobicContact CB-CD1 4.1Å; C80-Y82 HydrophobicContact CB-CD2 3.69Å; C80-Y82 HydrophobicContact CB-CE1 3.78Å; C80-Y82 HydrophobicContact CB-CE2 3.34Å; C80-Y82 HydrophobicContact CB-CG 4.07Å; C80-Y82 PolarHBondContact O-N 3.15Å; C80-Y82 VanDerWaalsContact SG-CZ 3.56Å; C80-Y82 PolarHBondContact SG-OH 2.92Å; Y82-L85 HydrophobicContact CE2-CB 4.06Å; Y82-L85 HydrophobicContact CE2-CD2 4.04Å; Y82-L85 HydrophobicContact CE2-CG 4.45Å
83	G	92.2	Very high	96.3	Very high	17 Å²	17	49 Å²	49	18%	0.175	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	118.9	-175.2	177.5	0	0	0	0	0	114.4	C80 L85	C80-G83 WeakPolarHBondContact CA-O 3.33Å; C80-G83 WeakPolarHBondContact CB-O 3.04Å; C80-G83 PolarHBondContact N-O 3.36Å; C80-G83 PolarHBondContact O-N 3.36Å; G83-L85 PolarHBondContact O-N 3.05Å
84	E	94.4	Very high	96.3	Very high	120 Å²	120	44.5 Å²	44.5	56%	0.561	22%	0.222	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-79.5	103.2	175.8	-67.4	-167.2	169.3	0	0	111.1	T77 T86	T77-E84 HydrophobicContact CG2-CB 4.19Å; E84-T86 PolarHBondContact O-N 3.04Å
85	L	96.7	Very high	96.2	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	109.1	-178.5	177.4	67.1	0	0	0	110.4	C45 I48 A49 L52 T77 I78 Y82 G83 Y87 F108	C45-L85 HydrophobicContact CB-CD1 4.44Å; C45-L85 VanDerWaalsContact O-CD1 3.26Å; C45-L85 WeakPolarHBondContact O-CD1 3.44Å; I48-L85 HydrophobicContact CB-CD1 4.06Å; I48-L85 HydrophobicContact CG2-CD1 3.83Å; I48-L85 HydrophobicContact CG2-CD2 3.97Å; A49-L85 HydrophobicContact CB-CD1 4Å; L52-L85 HydrophobicContact CD1-CD2 3.65Å; T77-L85 CarbonylContact C-O 3.56Å; T77-L85 VanDerWaalsContact CA-O 3.29Å; T77-L85 WeakPolarHBondContact CA-O 3.47Å; I78-L85 PolarHBondContact N-O 3.49Å; I78-L85 PolarHBondContact O-N 3.24Å; Y82-L85 HydrophobicContact CE2-CB 4.06Å; Y82-L85 HydrophobicContact CE2-CD2 4.04Å; Y82-L85 HydrophobicContact CE2-CG 4.45Å; G83-L85 PolarHBondContact O-N 3.05Å; L85-Y87 HydrophobicContact CD2-CD1 4.08Å; L85-Y87 HydrophobicContact CG-CD1 3.93Å; L85-F108 HydrophobicContact CD2-CE2 4.42Å; L85-F108 HydrophobicContact CD2-CZ 4.26Å
86	T	97.7	Very high	96.1	Very high	72 Å²	72	50.2 Å²	50.2	44%	0.442	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	122	167.1	-59.7	0	0	0	0	110.1	A49 S75 R76 T77 E84	A49-T86 VanDerWaalsContact CB-O 3.29Å; A49-T86 WeakPolarHBondContact CB-O 3.37Å; S75-T86 WeakPolarHBondContact OG-CG2 3.48Å; R76-T86 WeakPolarHBondContact O-CA 3.09Å; T77-T86 WeakPolarHBondContact CG2-OG1 3.07Å; T77-T86 PolarHBondContact OG1-OG1 2.81Å; E84-T86 PolarHBondContact O-N 3.04Å
87	Y	97.7	Very high	96.1	Very high	5 Å²	5	55.8 Å²	55.8	2%	0.02	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	157	-177.1	66.5	-73.6	0	0	0	111.5	L52 S75 R76 I78 L85 R89 L102 D103 F108	L52-Y87 HydrophobicContact CD1-CD2 4.38Å; L52-Y87 HydrophobicContact CD1-CG 4.29Å; S75-Y87 WeakPolarHBondContact CA-O 3.43Å; R76-Y87 HydrophobicContact CB-CE1 4.35Å; R76-Y87 HydrophobicContact CG-CE1 4.32Å; R76-Y87 PolarHBondContact N-O 3.17Å; R76-Y87 VanDerWaalsContact O-CD1 3.29Å; R76-Y87 WeakPolarHBondContact O-CD1 3.21Å; R76-Y87 PolarHBondContact O-N 3.39Å; I78-Y87 HydrophobicContact CB-CE1 4.48Å; I78-Y87 HydrophobicContact CG1-CE1 3.93Å; L85-Y87 HydrophobicContact CD2-CD1 4.08Å; L85-Y87 HydrophobicContact CG-CD1 3.93Å; Y87-R89 HydrophobicContact CE2-CB 4.36Å; Y87-R89 HydrophobicContact CE2-CG 4.44Å; Y87-L102 HydrophobicContact CD2-CD2 3.7Å; Y87-L102 HydrophobicContact CE2-CD2 3.84Å; Y87-D103 WeakPolarHBondContact CE2-OD1 3.49Å; Y87-D103 PolarHBondContact OH-OD1 3.04Å; Y87-F108 HydrophobicContact CE1-CD2 4.23Å; Y87-F108 HydrophobicContact CE1-CE2 4.13Å; Y87-F108 HydrophobicContact CE2-CD2 4.37Å; Y87-F108 HydrophobicContact CE2-CE2 4.49Å; Y87-F108 AromaticContact CZ-CD2 3.68Å; Y87-F108 AromaticContact CZ-CE2 3.91Å; Y87-F108 WeakPolarHBondContact OH-CD2 3.37Å
88	T	97.5	Very high	96.1	Very high	70 Å²	70	56.5 Å²	56.5	43%	0.429	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	138.2	176.7	-60.7	0	0	0	0	110.3	R73 D74	R73-T88 HydrophobicContact CB-CG2 4.18Å; D74-T88 WeakPolarHBondContact O-CA 3.34Å
89	R	97.3	Very high	96.1	Very high	21 Å²	21	58.9 Å²	58.9	8%	0.079	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	158	175.2	67.3	-97.3	-171.5	-99.6	-8	112.6	R73 D74 S75 R76 Y87 Y100 L102 D103	R73-R89 WeakPolarHBondContact CA-O 3.46Å; D74-R89 PolarHBondContact N-O 2.81Å; D74-R89 PolarHBondContact O-N 2.9Å; D74-R89 PolarHBondContact O-NH1 2.9Å; S75-R89 PolarHBondContact O-NH1 3.23Å; R76-R89 VanDerWaalsContact CB-NH1 3.29Å; Y87-R89 HydrophobicContact CE2-CB 4.36Å; Y87-R89 HydrophobicContact CE2-CG 4.44Å; R89-Y100 HydrophobicContact CG-CD1 3.45Å; R89-Y100 VanDerWaalsContact CG-CD1 3.45Å; R89-Y100 HydrophobicContact CG-CE1 4.05Å; R89-Y100 HydrophobicContact CG-CG 4.2Å; R89-L102 HydrophobicContact CB-CB 4.12Å; R89-L102 HydrophobicContact CB-CD2 3.87Å; R89-D103 WeakPolarHBondContact CD-OD1 3.32Å; R89-D103 WeakPolarHBondContact CG-OD1 3.4Å; R89-D103 IonicContact NE-OD1 3.52Å; R89-D103 PolarHBondContact NE-OD1 3.14Å; R89-D103 IonicContact NE-OD2 3.16Å; R89-D103 PolarHBondContact NE-OD2 3.25Å; R89-D103 VanDerWaalsContact NE-OD2 3.11Å
90	R	98.2	Very high	96.2	Very high	21 Å²	21	60.9 Å²	60.9	8%	0.079	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	131.3	176.8	-71.1	166.7	178.8	99.2	-6.9	111.5	D56 T57 V70 R73 L92 P101	D56-R90 PolarHBondContact OD1-N 3.48Å; D56-R90 WeakPolarHBondContact OD2-CD 3.43Å; D56-R90 WeakPolarHBondContact OD2-CG 3.39Å; D56-R90 IonicContact OD2-CZ 3.03Å; D56-R90 PolarHBondContact OD2-N 2.99Å; D56-R90 IonicContact OD2-NE 2.76Å; D56-R90 IonicContact OD2-NH1 3.81Å; D56-R90 PolarHBondContact OD2-NH1 3.05Å; T57-R90 PolarHBondContact OG1-NH1 2.87Å; V70-R90 HydrophobicContact CG1-CG 4.31Å; V70-R90 HydrophobicContact CG2-CG 4.43Å; R73-R90 HydrophobicContact CG-CG 3.97Å; R90-L92 HydrophobicContact CB-CD2 3.97Å; R90-P101 WeakPolarHBondContact O-CD 3.28Å
91	L	98.3	Very high	96.2	Very high	20 Å²	20	60.9 Å²	60.9	11%	0.105	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	117.8	161	-177.5	62.1	0	0	0	107.7	A71 R72 Y100	A71-L91 HydrophobicContact CB-CB 4.46Å; A71-L91 HydrophobicContact CB-CD2 4.22Å; A71-L91 HydrophobicContact CB-CG 4.23Å; A71-L91 PolarHBondContact N-O 2.67Å; R72-L91 HydrophobicContact CG-CB 4.01Å; R72-L91 HydrophobicContact CG-CD2 4.13Å; R72-L91 PolarHBondContact O-N 3.37Å; L91-Y100 HydrophobicContact CB-CD1 4.15Å; L91-Y100 HydrophobicContact CB-CE1 3.62Å; L91-Y100 HydrophobicContact CD1-CD1 4.31Å; L91-Y100 HydrophobicContact CD1-CD2 4.11Å; L91-Y100 HydrophobicContact CD1-CE1 4.07Å; L91-Y100 HydrophobicContact CD1-CE2 3.82Å; L91-Y100 HydrophobicContact CD1-CG 4.34Å; L91-Y100 HydrophobicContact CG-CE1 4.38Å
92	L	98.3	Very high	96.4	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.005	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	143.7	175.4	-58.7	-166.3	0	0	0	110.4	Y60 Y63 W68 R69 V70 R90 S98 F99 P101	Y60-L92 HydrophobicContact CD2-CD1 4.44Å; Y60-L92 HydrophobicContact CD2-CD2 3.79Å; Y60-L92 HydrophobicContact CE2-CD2 4.27Å; Y63-L92 VanDerWaalsContact CB-CD1 3.46Å; Y63-L92 HydrophobicContact CD2-CD1 3.96Å; Y63-L92 HydrophobicContact CG-CD1 3.82Å; W68-L92 HydrophobicContact CB-CB 4.31Å; W68-L92 HydrophobicContact CB-CD1 4.16Å; W68-L92 HydrophobicContact CD2-CB 4.46Å; W68-L92 HydrophobicContact CE3-CB 3.84Å; R69-L92 WeakPolarHBondContact O-CA 3.32Å; V70-L92 HydrophobicContact CG2-CD2 4.03Å; R90-L92 HydrophobicContact CB-CD2 3.97Å; L92-S98 CarbonylContact O-C 3.43Å; L92-S98 WeakPolarHBondContact O-CA 3.29Å; L92-F99 HydrophobicContact CB-CE1 4.43Å; L92-F99 PolarHBondContact N-O 3.46Å; L92-F99 PolarHBondContact O-N 3.31Å; L92-P101 HydrophobicContact CB-CG 4.39Å; L92-P101 HydrophobicContact CD1-CG 3.46Å; L92-P101 VanDerWaalsContact CD1-CG 3.46Å; L92-P101 HydrophobicContact CG-CG 3.69Å
93	Q	98.2	Very high	96.7	Very high	58 Å²	58	48.8 Å²	48.8	27%	0.271	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	141.6	178.3	-172.8	-179.5	22.3	0	0	111.7	W68 R69 A71 K97 S98	W68-Q93 VanDerWaalsContact CE3-C 3.41Å; R69-Q93 PolarHBondContact N-O 3.42Å; R69-Q93 PolarHBondContact O-N 2.83Å; A71-Q93 HydrophobicContact CB-CB 4.21Å; Q93-K97 CarbonylContact C-O 3.6Å; Q93-K97 VanDerWaalsContact CA-O 3.25Å; Q93-K97 WeakPolarHBondContact CA-O 3.4Å; Q93-K97 WeakPolarHBondContact CG-O 3.27Å; Q93-S98 WeakPolarHBondContact CG-OG 3.44Å
94	K	97.9	Very high	96.7	Very high	66 Å²	66	51.4 Å²	51.4	29%	0.287	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	131.6	170.9	-177.3	178.6	177.7	-179.5	0	109.1	Q66 W68 G96 K97	Q66-K94 PolarHBondContact O-NZ 2.78Å; W68-K94 HydrophobicContact CD2-CB 3.62Å; W68-K94 HydrophobicContact CD2-CD 4.41Å; W68-K94 HydrophobicContact CE3-CB 3.55Å; W68-K94 HydrophobicContact CG-CB 4.18Å; W68-K94 HydrophobicContact CG-CD 4.46Å; W68-K94 HydrophobicContact CH2-CB 4.12Å; W68-K94 HydrophobicContact CZ2-CB 4.2Å; W68-K94 HydrophobicContact CZ3-CB 3.8Å; K94-G96 VanDerWaalsContact C-N 3.34Å; K94-G96 PolarHBondContact O-N 3.4Å; K94-K97 PolarHBondContact N-O 2.89Å; K94-K97 WeakPolarHBondContact O-CB 3.45Å; K94-K97 PolarHBondContact O-N 3.01Å
95	E	95.4	Very high	96.6	Very high	163 Å²	163	46.9 Å²	46.9	76%	0.762	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.5	50.3	171.9	-65.4	160.8	-159.2	0	0	113.5	K97	E95-K97 PolarHBondContact O-N 2.97Å; E95-K97 VanDerWaalsContact O-N 3.08Å
96	G	94.3	Very high	96.5	Very high	71 Å²	71	48.4 Å²	48.4	73%	0.732	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.2	-9.5	-179.3	0	0	0	0	0	115.8	K94	K94-G96 VanDerWaalsContact C-N 3.34Å; K94-G96 PolarHBondContact O-N 3.4Å
97	K	97.2	Very high	96.2	Very high	150 Å²	150	45.5 Å²	45.5	65%	0.652	25%	0.247	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-92.2	140.2	176.3	-63.1	176.6	-177.1	169.9	0	110.7	W68 Q93 K94 E95	W68-K97 HydrophobicContact CH2-CB 4.18Å; Q93-K97 CarbonylContact C-O 3.6Å; Q93-K97 VanDerWaalsContact CA-O 3.25Å; Q93-K97 WeakPolarHBondContact CA-O 3.4Å; Q93-K97 WeakPolarHBondContact CG-O 3.27Å; K94-K97 PolarHBondContact N-O 2.89Å; K94-K97 WeakPolarHBondContact O-CB 3.45Å; K94-K97 PolarHBondContact O-N 3.01Å; E95-K97 PolarHBondContact O-N 2.97Å; E95-K97 VanDerWaalsContact O-N 3.08Å
98	S	97	Very high	96.1	Very high	62 Å²	62	46 Å²	46	43%	0.434	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	140.8	176.7	-58.1	0	0	0	0	111.6	L92 Q93	L92-S98 CarbonylContact O-C 3.43Å; L92-S98 WeakPolarHBondContact O-CA 3.29Å; Q93-S98 WeakPolarHBondContact CG-OG 3.44Å
99	F	96.6	Very high	95.9	Very high	50 Å²	50	45 Å²	45	22%	0.219	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	164.7	175.2	76.2	-68.5	0	0	0	112.5	Y63 W68 L92 P101	Y63-F99 HydrophobicContact CD1-CZ 4.16Å; Y63-F99 AromaticContact CE1-CZ 3.71Å; Y63-F99 HydrophobicContact CE1-CZ 3.71Å; Y63-F99 HydrophobicContact CE2-CZ 4.37Å; Y63-F99 AromaticContact CZ-CZ 3.82Å; W68-F99 AromaticContact CD2-CE1 4Å; W68-F99 HydrophobicContact CD2-CE1 4Å; W68-F99 AromaticContact CE2-CE1 3.96Å; W68-F99 HydrophobicContact CE3-CD1 4.17Å; W68-F99 AromaticContact CE3-CE1 3.72Å; W68-F99 HydrophobicContact CE3-CE1 3.72Å; W68-F99 AromaticContact CH2-CD1 3.65Å; W68-F99 HydrophobicContact CH2-CD1 3.65Å; W68-F99 AromaticContact CH2-CE1 3.42Å; W68-F99 HydrophobicContact CH2-CE1 3.42Å; W68-F99 VanDerWaalsContact CH2-CE1 3.42Å; W68-F99 HydrophobicContact CZ2-CD1 4.36Å; W68-F99 AromaticContact CZ2-CE1 3.69Å; W68-F99 HydrophobicContact CZ2-CE1 3.69Å; W68-F99 AromaticContact CZ3-CD1 3.53Å; W68-F99 HydrophobicContact CZ3-CD1 3.53Å; W68-F99 AromaticContact CZ3-CE1 3.43Å; W68-F99 HydrophobicContact CZ3-CE1 3.43Å; W68-F99 VanDerWaalsContact CZ3-CE1 3.43Å; L92-F99 HydrophobicContact CB-CE1 4.43Å; L92-F99 PolarHBondContact N-O 3.46Å; L92-F99 PolarHBondContact O-N 3.31Å; F99-P101 HydrophobicContact CD2-CB 4.45Å; F99-P101 HydrophobicContact CD2-CG 4.22Å; F99-P101 HydrophobicContact CE2-CB 3.76Å; F99-P101 HydrophobicContact CE2-CG 3.65Å; F99-P101 HydrophobicContact CZ-CB 4.25Å; F99-P101 HydrophobicContact CZ-CG 3.81Å; F99-P101 WeakPolarHBondContact O-CD 3.36Å
100	Y	97.1	Very high	95.6	Very high	50 Å²	50	48.3 Å²	48.3	20%	0.196	27%	0.266	C	S	.	.			trans	-100.9	101.5	173.8	-66.3	-80.4	0	0	0	109.4	D74 R89 L91 L102 D103 C104	D74-Y100 HydrophobicContact CB-CE1 4.19Å; D74-Y100 WeakPolarHBondContact OD2-CE1 3.39Å; D74-Y100 VanDerWaalsContact OD2-CZ 3.32Å; D74-Y100 PolarHBondContact OD2-OH 3.32Å; R89-Y100 HydrophobicContact CG-CD1 3.45Å; R89-Y100 VanDerWaalsContact CG-CD1 3.45Å; R89-Y100 HydrophobicContact CG-CE1 4.05Å; R89-Y100 HydrophobicContact CG-CG 4.2Å; L91-Y100 HydrophobicContact CB-CD1 4.15Å; L91-Y100 HydrophobicContact CB-CE1 3.62Å; L91-Y100 HydrophobicContact CD1-CD1 4.31Å; L91-Y100 HydrophobicContact CD1-CD2 4.11Å; L91-Y100 HydrophobicContact CD1-CE1 4.07Å; L91-Y100 HydrophobicContact CD1-CE2 3.82Å; L91-Y100 HydrophobicContact CD1-CG 4.34Å; L91-Y100 HydrophobicContact CG-CE1 4.38Å; Y100-L102 VanDerWaalsContact C-N 3.32Å; Y100-L102 PolarHBondContact O-N 3.42Å; Y100-D103 PolarHBondContact O-N 3.29Å; Y100-C104 PolarHBondContact O-N 3.19Å; Y100-C104 VanDerWaalsContact O-N 3.11Å; Y100-C104 PolarHBondContact O-SG 2.84Å; Y100-C104 VanDerWaalsContact O-SG 3.33Å
101	P	95.9	Very high	95.3	Very high	2 Å²	2	58.9 Å²	58.9	1%	0.013	31%	0.306	C	S	.	.	H	α-helix	trans	-60.2	-42.6	-174.7	-20.3	29.8	0	0	0	112.6	L59 Y63 R90 L92 F99 C104 K105	L59-P101 HydrophobicContact CD1-CB 4.46Å; Y63-P101 HydrophobicContact CD2-CB 4.09Å; Y63-P101 HydrophobicContact CD2-CG 4.08Å; Y63-P101 HydrophobicContact CE2-CB 3.63Å; Y63-P101 HydrophobicContact CE2-CG 4.06Å; R90-P101 WeakPolarHBondContact O-CD 3.28Å; L92-P101 HydrophobicContact CB-CG 4.39Å; L92-P101 HydrophobicContact CD1-CG 3.46Å; L92-P101 VanDerWaalsContact CD1-CG 3.46Å; L92-P101 HydrophobicContact CG-CG 3.69Å; F99-P101 HydrophobicContact CD2-CB 4.45Å; F99-P101 HydrophobicContact CD2-CG 4.22Å; F99-P101 HydrophobicContact CE2-CB 3.76Å; F99-P101 HydrophobicContact CE2-CG 3.65Å; F99-P101 HydrophobicContact CZ-CB 4.25Å; F99-P101 HydrophobicContact CZ-CG 3.81Å; F99-P101 WeakPolarHBondContact O-CD 3.36Å; P101-C104 PolarHBondContact O-N 3.01Å; P101-K105 VanDerWaalsContact O-CG 3.31Å; P101-K105 WeakPolarHBondContact O-CG 3.37Å; P101-K105 PolarHBondContact O-N 3.11Å
102	L	96.6	Very high	95.1	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-60.3	-50.2	-179.6	-172.8	68.3	0	0	0	112	L52 I55 D56 L59 Y87 R89 Y100 C104 K105 M106	L52-L102 HydrophobicContact CB-CD2 4.25Å; L52-L102 HydrophobicContact CD2-CD1 4.17Å; I55-L102 HydrophobicContact CB-CD1 4.43Å; I55-L102 HydrophobicContact CG2-CD1 4.03Å; D56-L102 HydrophobicContact CB-CD1 4.38Å; D56-L102 HydrophobicContact CB-CD2 4Å; L59-L102 HydrophobicContact CD1-CB 4.45Å; L59-L102 HydrophobicContact CD1-CD1 4.11Å; Y87-L102 HydrophobicContact CD2-CD2 3.7Å; Y87-L102 HydrophobicContact CE2-CD2 3.84Å; R89-L102 HydrophobicContact CB-CB 4.12Å; R89-L102 HydrophobicContact CB-CD2 3.87Å; Y100-L102 VanDerWaalsContact C-N 3.32Å; Y100-L102 PolarHBondContact O-N 3.42Å; L102-C104 VanDerWaalsContact C-N 3.31Å; L102-C104 PolarHBondContact O-N 2.85Å; L102-K105 CarbonylContact O-C 3.53Å; L102-K105 PolarHBondContact O-N 2.81Å; L102-K105 VanDerWaalsContact O-N 3.1Å; L102-M106 HydrophobicContact CD1-CG 4.38Å; L102-M106 HydrophobicContact CG-CG 4.48Å; L102-M106 WeakPolarHBondContact O-CB 3.45Å; L102-M106 WeakPolarHBondContact O-CG 3.43Å; L102-M106 PolarHBondContact O-N 3.44Å
103	D	95.7	Very high	94.9	Very high	6 Å²	6	64.4 Å²	64.4	3%	0.032	33%	0.33	C	S	.	.	H	α-helix	trans	-58.4	-44.9	178.5	-63.6	22.5	0	0	0	110.5	R76 Y87 R89 Y100 K105 M106 G107 F108	R76-D103 IonicContact CZ-OD2 3.22Å; R76-D103 IonicContact NH1-OD2 2.7Å; R76-D103 PolarHBondContact NH1-OD2 3.13Å; Y87-D103 WeakPolarHBondContact CE2-OD1 3.49Å; Y87-D103 PolarHBondContact OH-OD1 3.04Å; R89-D103 WeakPolarHBondContact CD-OD1 3.32Å; R89-D103 WeakPolarHBondContact CG-OD1 3.4Å; R89-D103 IonicContact NE-OD1 3.52Å; R89-D103 PolarHBondContact NE-OD1 3.14Å; R89-D103 IonicContact NE-OD2 3.16Å; R89-D103 PolarHBondContact NE-OD2 3.25Å; R89-D103 VanDerWaalsContact NE-OD2 3.11Å; Y100-D103 PolarHBondContact O-N 3.29Å; D103-K105 PolarHBondContact O-N 2.78Å; D103-M106 PolarHBondContact O-N 3.14Å; D103-G107 PolarHBondContact O-N 3.46Å; D103-F108 HydrophobicContact CB-CB 4.18Å; D103-F108 PolarHBondContact O-N 2.84Å
104	C	93.1	Very high	94.8	Very high	71 Å²	71	63.4 Å²	63.4	48%	0.48	32%	0.324	S	S	.	.	H	α-helix	trans	-60.6	-41.6	175.4	-68.2	0	0	0	0	112.4	Y100 P101 L102 M106 Y424	Y100-C104 PolarHBondContact O-N 3.19Å; Y100-C104 VanDerWaalsContact O-N 3.11Å; Y100-C104 PolarHBondContact O-SG 2.84Å; Y100-C104 VanDerWaalsContact O-SG 3.33Å; P101-C104 PolarHBondContact O-N 3.01Å; L102-C104 VanDerWaalsContact C-N 3.31Å; L102-C104 PolarHBondContact O-N 2.85Å; C104-M106 VanDerWaalsContact C-N 3.32Å; C104-Y424 WeakPolarHBondContact O-CE2 3.45Å
105	K	92.6	Very high	94.7	Very high	25 Å²	25	60.9 Å²	60.9	11%	0.109	32%	0.315	C	S	.	.	H	α-helix	trans	-75.8	-18	177.7	-64.1	-42.2	177.1	-163.7	0	113.9	L59 P101 L102 D103 Y424 K426 D428 M431	L59-K105 HydrophobicContact CD1-CG 4.18Å; L59-K105 HydrophobicContact CD2-CG 4.26Å; P101-K105 VanDerWaalsContact O-CG 3.31Å; P101-K105 WeakPolarHBondContact O-CG 3.37Å; P101-K105 PolarHBondContact O-N 3.11Å; L102-K105 CarbonylContact O-C 3.53Å; L102-K105 PolarHBondContact O-N 2.81Å; L102-K105 VanDerWaalsContact O-N 3.1Å; D103-K105 PolarHBondContact O-N 2.78Å; K105-Y424 PolarHBondContact O-OH 2.93Å; K105-K426 WeakPolarHBondContact O-CG 3.32Å; K105-D428 WeakPolarHBondContact CE-OD1 3.44Å; K105-D428 VanDerWaalsContact NZ-CG 3.29Å; K105-D428 IonicContact NZ-OD1 3.54Å; K105-D428 PolarHBondContact NZ-OD1 2.81Å; K105-D428 IonicContact NZ-OD2 2.84Å; K105-D428 PolarHBondContact NZ-OD2 3.27Å; K105-M431 HydrophobicContact CB-CG 4.4Å; K105-M431 HydrophobicContact CB-SD 3.73Å; K105-M431 HydrophobicContact CD-CB 4.25Å; K105-M431 HydrophobicContact CG-CB 4.25Å; K105-M431 HydrophobicContact CG-SD 4.03Å
106	M	93	Very high	94.7	Very high	32 Å²	32	54.2 Å²	54.2	16%	0.158	28%	0.284	C	S	.	.	H	α-helix	trans	-96.7	-8	177.4	-70.3	-59.6	-65.5	0	0	113	L52 L102 D103 C104 F108 Y424 M431	L52-M106 HydrophobicContact CD2-CE 3.92Å; L52-M106 HydrophobicContact CD2-CG 4.06Å; L52-M106 HydrophobicContact CD2-SD 3.79Å; L102-M106 HydrophobicContact CD1-CG 4.38Å; L102-M106 HydrophobicContact CG-CG 4.48Å; L102-M106 WeakPolarHBondContact O-CB 3.45Å; L102-M106 WeakPolarHBondContact O-CG 3.43Å; L102-M106 PolarHBondContact O-N 3.44Å; D103-M106 PolarHBondContact O-N 3.14Å; C104-M106 VanDerWaalsContact C-N 3.32Å; M106-F108 VanDerWaalsContact C-N 3.28Å; M106-F108 HydrophobicContact CB-CD1 4.34Å; M106-F108 HydrophobicContact CB-CD2 3.45Å; M106-F108 VanDerWaalsContact CB-CD2 3.45Å; M106-F108 HydrophobicContact CB-CE1 4.34Å; M106-F108 HydrophobicContact CB-CE2 3.49Å; M106-F108 VanDerWaalsContact CB-CE2 3.49Å; M106-F108 HydrophobicContact CB-CG 3.94Å; M106-F108 HydrophobicContact CB-CZ 3.95Å; M106-F108 HydrophobicContact CE-CE2 4.3Å; M106-F108 HydrophobicContact CE-CZ 4.07Å; M106-F108 HydrophobicContact CG-CD2 4.3Å; M106-F108 HydrophobicContact CG-CE2 4Å; M106-Y424 WeakPolarHBondContact CA-OH 3.42Å; M106-Y424 PolarHBondContact O-OH 3.37Å; M106-M431 HydrophobicContact SD-CE 4.33Å
107	G	92.6	Very high	94.7	Very high	12 Å²	12	52.1 Å²	52.1	12%	0.124	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	75	21.4	-176.9	0	0	0	0	0	112.5	D103 E109 Y424	D103-G107 PolarHBondContact O-N 3.46Å; G107-E109 PolarHBondContact O-N 3.29Å; G107-Y424 VanDerWaalsContact CA-CE2 3.42Å; G107-Y424 PolarHBondContact N-OH 3Å; G107-Y424 VanDerWaalsContact N-OH 3.1Å
108	F	94.5	Very high	94.7	Very high	14 Å²	14	45.1 Å²	45.1	6%	0.061	23%	0.233	C	C	.	.			trans	-84.7	87.7	178.2	-61.5	-32.5	0	0	0	110.3	R76 I78 L85 Y87 D103 M106	R76-F108 PolarHBondContact NH1-O 3.14Å; I78-F108 HydrophobicContact CG1-CG 4.49Å; I78-F108 HydrophobicContact CG2-CD1 4.2Å; I78-F108 HydrophobicContact CG2-CE1 4.17Å; L85-F108 HydrophobicContact CD2-CE2 4.42Å; L85-F108 HydrophobicContact CD2-CZ 4.26Å; Y87-F108 HydrophobicContact CE1-CD2 4.23Å; Y87-F108 HydrophobicContact CE1-CE2 4.13Å; Y87-F108 HydrophobicContact CE2-CD2 4.37Å; Y87-F108 HydrophobicContact CE2-CE2 4.49Å; Y87-F108 AromaticContact CZ-CD2 3.68Å; Y87-F108 AromaticContact CZ-CE2 3.91Å; Y87-F108 WeakPolarHBondContact OH-CD2 3.37Å; D103-F108 HydrophobicContact CB-CB 4.18Å; D103-F108 PolarHBondContact O-N 2.84Å; M106-F108 VanDerWaalsContact C-N 3.28Å; M106-F108 HydrophobicContact CB-CD1 4.34Å; M106-F108 HydrophobicContact CB-CD2 3.45Å; M106-F108 VanDerWaalsContact CB-CD2 3.45Å; M106-F108 HydrophobicContact CB-CE1 4.34Å; M106-F108 HydrophobicContact CB-CE2 3.49Å; M106-F108 VanDerWaalsContact CB-CE2 3.49Å; M106-F108 HydrophobicContact CB-CG 3.94Å; M106-F108 HydrophobicContact CB-CZ 3.95Å; M106-F108 HydrophobicContact CE-CE2 4.3Å; M106-F108 HydrophobicContact CE-CZ 4.07Å; M106-F108 HydrophobicContact CG-CD2 4.3Å; M106-F108 HydrophobicContact CG-CE2 4Å
109	E	93.2	Very high	94.7	Very high	49 Å²	49	42.2 Å²	42.2	23%	0.229	21%	0.212	C	C	.	.			trans	-54.2	142.2	-178.2	-64.5	-170.1	171.6	0	0	113	R76 G107 K112 Y157 K161	R76-E109 PolarHBondContact NH2-O 3.33Å; G107-E109 PolarHBondContact O-N 3.29Å; E109-K112 HydrophobicContact CB-CB 4.47Å; E109-K112 HydrophobicContact CB-CD 3.97Å; E109-K112 HydrophobicContact CB-CG 4.26Å; E109-K112 PolarHBondContact O-N 2.8Å; E109-K112 VanDerWaalsContact OE2-CD 3.3Å; E109-K112 WeakPolarHBondContact OE2-CD 3.41Å; E109-K112 WeakPolarHBondContact OE2-CE 3.39Å; E109-Y157 PolarHBondContact OE1-OH 3.47Å; E109-Y157 PolarHBondContact OE2-OH 3.44Å; E109-K161 IonicContact OE1-NZ 2.64Å; E109-K161 PolarHBondContact OE1-NZ 3.31Å
110	S	92.2	Very high	94.7	Very high	92 Å²	92	41.5 Å²	41.5	64%	0.643	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	143.3	-179.5	-176.7	0	0	0	0	112	K112	S110-K112 PolarHBondContact O-N 3.16Å
111	R	90.9	Very high	94.6	Very high	242 Å²	242	43.2 Å²	43.2	91%	0.913	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.5	14.5	178	-59.7	177.3	-74.8	172.8	-4.7	115
112	K	93.9	Very high	94.6	Very high	58 Å²	58	43.1 Å²	43.1	25%	0.252	22%	0.215	S	C	.	.			trans	-104.6	135.6	172.5	-66.7	-165.2	-177.8	-77.1	0	111.2	R76 I78 E109 S110 Y157	R76-K112 PolarHBondContact NH2-O 3Å; I78-K112 WeakPolarHBondContact CD1-O 3.4Å; E109-K112 HydrophobicContact CB-CB 4.47Å; E109-K112 HydrophobicContact CB-CD 3.97Å; E109-K112 HydrophobicContact CB-CG 4.26Å; E109-K112 PolarHBondContact O-N 2.8Å; E109-K112 VanDerWaalsContact OE2-CD 3.3Å; E109-K112 WeakPolarHBondContact OE2-CD 3.41Å; E109-K112 WeakPolarHBondContact OE2-CE 3.39Å; S110-K112 PolarHBondContact O-N 3.16Å; K112-Y157 HydrophobicContact CD-CE2 4.35Å; K112-Y157 VanDerWaalsContact NZ-CD2 3.26Å
113	H	95.1	Very high	94.6	Very high	80 Å²	80	43.1 Å²	43.1	37%	0.37	22%	0.215	S	C	.	.	S	Bend	trans	-86.8	-17.6	176.5	-173.1	66.8	0	0	0	112.8	T77 I78 C79	T77-H113 PolarHBondContact O-ND1 3.04Å; I78-H113 CarbonylContact C-O 3.52Å; I78-H113 WeakPolarHBondContact CA-O 3.42Å; C79-H113 PolarHBondContact N-O 3.16Å
114	Y	96.5	Very high	94.6	Very high	37 Å²	37	47.2 Å²	47.2	15%	0.145	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-109.5	134.4	-177.3	-58.1	-86.2	0	0	0	111.3	C79 M118 I122 I146 L154	C79-Y114 HydrophobicContact CB-CD1 3.6Å; C79-Y114 HydrophobicContact CB-CE1 3.88Å; C79-Y114 HydrophobicContact CB-CG 4.47Å; Y114-M118 HydrophobicContact CD1-CG 3.73Å; Y114-M118 HydrophobicContact CG-CG 4.49Å; Y114-I122 HydrophobicContact CD1-CD1 3.89Å; Y114-I122 HydrophobicContact CE1-CD1 4.15Å; Y114-I122 HydrophobicContact CG-CD1 4.48Å; Y114-I146 HydrophobicContact CE1-CD1 4.03Å; Y114-I146 HydrophobicContact CE2-CD1 4.33Å; Y114-I146 WeakPolarHBondContact OH-CG1 3.23Å; Y114-L154 HydrophobicContact CD1-CD1 4.28Å; Y114-L154 HydrophobicContact CD2-CD1 3.61Å; Y114-L154 HydrophobicContact CD2-CD2 3.97Å; Y114-L154 HydrophobicContact CD2-CG 4.28Å; Y114-L154 HydrophobicContact CE2-CD1 3.9Å; Y114-L154 HydrophobicContact CG-CD1 3.8Å
115	S	95.7	Very high	94.7	Very high	12 Å²	12	45.1 Å²	45.1	8%	0.084	22%	0.22	C	C	.	.			trans	-68.1	158	170.8	67.2	0	0	0	0	111.7	C79 C80 G117 M118 I119	C79-S115 PolarHBondContact O-N 2.97Å; C79-S115 PolarHBondContact O-OG 3.41Å; C80-S115 WeakPolarHBondContact CA-OG 3.4Å; S115-G117 VanDerWaalsContact C-N 3.29Å; S115-G117 PolarHBondContact O-N 3.41Å; S115-M118 WeakPolarHBondContact O-CB 3.26Å; S115-M118 PolarHBondContact O-N 3.01Å; S115-M118 WeakPolarHBondContact OG-CB 3.37Å; S115-M118 PolarHBondContact OG-N 3.24Å; S115-I119 WeakPolarHBondContact O-CG1 3.41Å; S115-I119 PolarHBondContact O-N 2.89Å
116	L	95.5	Very high	94.8	Very high	23 Å²	23	43.9 Å²	43.9	12%	0.12	22%	0.215	C	C	.	.	H	α-helix	trans	-57.4	-40.7	177.8	-66.1	178.1	0	0	0	112.7	M118 I119 E120 L416	L116-M118 VanDerWaalsContact C-N 3.31Å; L116-M118 PolarHBondContact O-N 3.3Å; L116-I119 PolarHBondContact O-N 3.24Å; L116-E120 WeakPolarHBondContact O-CB 3.36Å; L116-E120 PolarHBondContact O-N 3.13Å; L116-L416 HydrophobicContact CD1-CD2 3.92Å
117	G	94.7	Very high	94.8	Very high	28 Å²	28	42.5 Å²	42.5	29%	0.289	21%	0.208	S	C	.	.	H	α-helix	trans	-68.7	-27.6	176.6	0	0	0	0	0	113.7	S115 R121	S115-G117 VanDerWaalsContact C-N 3.29Å; S115-G117 PolarHBondContact O-N 3.41Å; G117-R121 PolarHBondContact O-N 3.22Å
118	M	95.6	Very high	94.8	Very high	3 Å²	3	47.5 Å²	47.5	2%	0.015	23%	0.231	C	C	.	.	H	α-helix	trans	-73.6	-43.2	170.5	178.5	51.2	73.5	0	0	111.3	C79 C80 Y114 S115 L116 E120 R121 I122 I144	C79-M118 VanDerWaalsContact O-CB 3.29Å; C79-M118 WeakPolarHBondContact O-CB 3.41Å; C80-M118 WeakPolarHBondContact O-CE 3.36Å; Y114-M118 HydrophobicContact CD1-CG 3.73Å; Y114-M118 HydrophobicContact CG-CG 4.49Å; S115-M118 WeakPolarHBondContact O-CB 3.26Å; S115-M118 PolarHBondContact O-N 3.01Å; S115-M118 WeakPolarHBondContact OG-CB 3.37Å; S115-M118 PolarHBondContact OG-N 3.24Å; L116-M118 VanDerWaalsContact C-N 3.31Å; L116-M118 PolarHBondContact O-N 3.3Å; M118-E120 VanDerWaalsContact C-N 3.3Å; M118-E120 PolarHBondContact O-N 3.49Å; M118-R121 PolarHBondContact O-N 2.96Å; M118-I122 HydrophobicContact CG-CD1 3.75Å; M118-I122 HydrophobicContact CG-CG1 4.45Å; M118-I122 VanDerWaalsContact O-CG1 3.3Å; M118-I122 WeakPolarHBondContact O-CG1 3.43Å; M118-I122 PolarHBondContact O-N 3.08Å; M118-I122 HydrophobicContact SD-CD1 3.88Å; M118-I122 HydrophobicContact SD-CG1 4.02Å; M118-I144 HydrophobicContact CE-CD1 3.47Å; M118-I144 VanDerWaalsContact CE-CD1 3.47Å; M118-I144 HydrophobicContact CE-CG1 3.88Å; M118-I144 HydrophobicContact SD-CD1 3.47Å; M118-I144 WeakPolarHBondContact SD-CD1 3.49Å; M118-I144 HydrophobicContact SD-CG1 4.25Å; M118-I144 HydrophobicContact SD-CG2 4.45Å
119	I	97	Very high	94.7	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-58.2	-44.7	175.3	-66.2	172.8	0	0	0	110.4	S115 L116 R121 I122 V123 L154 Y157 A158 L415	S115-I119 WeakPolarHBondContact O-CG1 3.41Å; S115-I119 PolarHBondContact O-N 2.89Å; L116-I119 PolarHBondContact O-N 3.24Å; I119-R121 PolarHBondContact O-N 2.81Å; I119-I122 PolarHBondContact O-N 2.79Å; I119-V123 HydrophobicContact CG2-CG2 3.99Å; I119-V123 VanDerWaalsContact O-CB 3.3Å; I119-V123 WeakPolarHBondContact O-CB 3.37Å; I119-V123 WeakPolarHBondContact O-CG2 3.5Å; I119-V123 PolarHBondContact O-N 2.92Å; I119-L154 HydrophobicContact CD1-CD2 4.13Å; I119-L154 HydrophobicContact CG1-CD1 4.46Å; I119-L154 HydrophobicContact CG1-CD2 4.02Å; I119-Y157 HydrophobicContact CD1-CD1 4.05Å; I119-Y157 HydrophobicContact CD1-CE1 3.65Å; I119-Y157 HydrophobicContact CG2-CD1 4.13Å; I119-Y157 HydrophobicContact CG2-CE1 4.23Å; I119-A158 HydrophobicContact CG2-CB 4.41Å; I119-L415 HydrophobicContact CG2-CD2 3.9Å
120	E	97	Very high	94.6	Very high	36 Å²	36	47.5 Å²	47.5	17%	0.168	24%	0.235	C	C	.	.	H	α-helix	trans	-52.8	-53.3	175	-175.2	173.3	-130	0	0	111.5	L116 M118 I122 V123 E124 L411 T412 L415	L116-E120 WeakPolarHBondContact O-CB 3.36Å; L116-E120 PolarHBondContact O-N 3.13Å; M118-E120 VanDerWaalsContact C-N 3.3Å; M118-E120 PolarHBondContact O-N 3.49Å; E120-I122 PolarHBondContact O-N 3.22Å; E120-V123 PolarHBondContact O-N 3.43Å; E120-E124 WeakPolarHBondContact O-CG 3.39Å; E120-E124 PolarHBondContact O-N 3.4Å; E120-L411 HydrophobicContact CG-CD2 4.48Å; E120-T412 WeakPolarHBondContact OE1-CB 3.41Å; E120-T412 PolarHBondContact OE1-OG1 2.98Å; E120-L415 HydrophobicContact CB-CD1 3.64Å; E120-L415 HydrophobicContact CG-CD1 4.19Å
121	R	94.8	Very high	94.6	Very high	86 Å²	86	44.1 Å²	44.1	33%	0.325	21%	0.212	S	C	.	.	H	α-helix	trans	-60.4	-43.2	179.2	-175.2	167.8	171.3	93.4	-9.5	112.6	G117 M118 I119 V123 E124 S125	G117-R121 PolarHBondContact O-N 3.22Å; M118-R121 PolarHBondContact O-N 2.96Å; I119-R121 PolarHBondContact O-N 2.81Å; R121-V123 VanDerWaalsContact C-N 3.33Å; R121-V123 PolarHBondContact O-N 3.22Å; R121-E124 PolarHBondContact O-N 3.19Å; R121-S125 PolarHBondContact O-N 2.9Å; R121-S125 PolarHBondContact O-OG 3.15Å
122	I	96.7	Very high	94.7	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-62.6	-43.4	177.3	-67.2	164.6	0	0	0	110.8	Y114 M118 I119 E120 S125 V126 L138 I146 V151 L154	Y114-I122 HydrophobicContact CD1-CD1 3.89Å; Y114-I122 HydrophobicContact CE1-CD1 4.15Å; Y114-I122 HydrophobicContact CG-CD1 4.48Å; M118-I122 HydrophobicContact CG-CD1 3.75Å; M118-I122 HydrophobicContact CG-CG1 4.45Å; M118-I122 VanDerWaalsContact O-CG1 3.3Å; M118-I122 WeakPolarHBondContact O-CG1 3.43Å; M118-I122 PolarHBondContact O-N 3.08Å; M118-I122 HydrophobicContact SD-CD1 3.88Å; M118-I122 HydrophobicContact SD-CG1 4.02Å; I119-I122 PolarHBondContact O-N 2.79Å; E120-I122 PolarHBondContact O-N 3.22Å; I122-S125 PolarHBondContact O-N 3.42Å; I122-V126 PolarHBondContact O-N 2.9Å; I122-L138 HydrophobicContact CB-CD1 4.25Å; I122-L138 HydrophobicContact CG1-CD1 3.91Å; I122-L138 HydrophobicContact CG1-CD2 4.27Å; I122-L138 HydrophobicContact CG2-CD1 4.07Å; I122-I146 HydrophobicContact CD1-CD1 3.79Å; I122-I146 HydrophobicContact CG2-CD1 4.35Å; I122-V151 HydrophobicContact CG2-CB 4.47Å; I122-V151 HydrophobicContact CG2-CG1 4.22Å; I122-V151 HydrophobicContact CG2-CG2 4.2Å; I122-L154 HydrophobicContact CD1-CD1 3.54Å; I122-L154 HydrophobicContact CG2-CD1 4.24Å
123	V	97.1	Very high	94.7	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-67.5	-39.6	-178.6	171.4	0	0	0	0	111.1	I119 E120 R121 S125 V126 A127 A158 V402 L411	I119-V123 HydrophobicContact CG2-CG2 3.99Å; I119-V123 VanDerWaalsContact O-CB 3.3Å; I119-V123 WeakPolarHBondContact O-CB 3.37Å; I119-V123 WeakPolarHBondContact O-CG2 3.5Å; I119-V123 PolarHBondContact O-N 2.92Å; E120-V123 PolarHBondContact O-N 3.43Å; R121-V123 VanDerWaalsContact C-N 3.33Å; R121-V123 PolarHBondContact O-N 3.22Å; V123-S125 VanDerWaalsContact C-N 3.35Å; V123-S125 PolarHBondContact O-N 3.34Å; V123-V126 WeakPolarHBondContact O-CG1 3.46Å; V123-V126 PolarHBondContact O-N 3.27Å; V123-A127 WeakPolarHBondContact O-CB 3.22Å; V123-A127 PolarHBondContact O-N 3.28Å; V123-A158 HydrophobicContact CB-CB 4.42Å; V123-A158 HydrophobicContact CG1-CB 4.13Å; V123-A158 HydrophobicContact CG2-CB 3.53Å; V123-V402 HydrophobicContact CG1-CB 4.31Å; V123-V402 HydrophobicContact CG1-CG1 3.39Å; V123-V402 HydrophobicContact CG1-CG2 3.87Å; V123-L411 HydrophobicContact CG1-CD1 4.29Å; V123-L411 HydrophobicContact CG1-CD2 4.07Å
124	E	95.7	Very high	94.6	Very high	91 Å²	91	35.9 Å²	35.9	43%	0.425	18%	0.181	S	C	.	.	H	α-helix	trans	-59.6	-43.7	173.4	-74.1	179.1	156.2	0	0	112.1	E120 R121 A127 L411	E120-E124 WeakPolarHBondContact O-CG 3.39Å; E120-E124 PolarHBondContact O-N 3.4Å; R121-E124 PolarHBondContact O-N 3.19Å; E124-A127 PolarHBondContact O-N 3.04Å; E124-L411 HydrophobicContact CG-CD2 4.35Å
125	S	94.5	Very high	94.6	Very high	27 Å²	27	35.3 Å²	35.3	19%	0.189	18%	0.183	C	C	.	.	H	α-helix	trans	-63	-52.3	176.8	-57.9	0	0	0	0	111.9	R121 I122 V123 A127 I128 T129	R121-S125 PolarHBondContact O-N 2.9Å; R121-S125 PolarHBondContact O-OG 3.15Å; I122-S125 PolarHBondContact O-N 3.42Å; V123-S125 VanDerWaalsContact C-N 3.35Å; V123-S125 PolarHBondContact O-N 3.34Å; S125-A127 PolarHBondContact O-N 2.86Å; S125-I128 VanDerWaalsContact O-CG1 3.26Å; S125-I128 WeakPolarHBondContact O-CG1 3.24Å; S125-I128 PolarHBondContact O-N 2.77Å; S125-I128 VanDerWaalsContact O-N 3.15Å; S125-T129 WeakPolarHBondContact O-CG2 3.43Å; S125-T129 PolarHBondContact O-N 3.49Å
126	V	94.2	Very high	94.6	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-70.1	-16.3	-179.1	71.2	0	0	0	0	113	I122 V123 I128 A134 V151 K155 R383 M399	I122-V126 PolarHBondContact O-N 2.9Å; V123-V126 WeakPolarHBondContact O-CG1 3.46Å; V123-V126 PolarHBondContact O-N 3.27Å; V126-I128 VanDerWaalsContact C-N 3.29Å; V126-A134 HydrophobicContact CB-CB 4.03Å; V126-A134 HydrophobicContact CG2-CB 4.47Å; V126-V151 HydrophobicContact CB-CG1 3.6Å; V126-V151 HydrophobicContact CG1-CG1 4.09Å; V126-V151 HydrophobicContact CG2-CG1 3.66Å; V126-K155 HydrophobicContact CG1-CB 3.95Å; V126-K155 HydrophobicContact CG1-CG 3.93Å; V126-R383 PolarHBondContact O-NE 3.25Å; V126-R383 PolarHBondContact O-NH2 3.44Å; V126-M399 HydrophobicContact CG1-CE 4.38Å; V126-M399 HydrophobicContact CG2-CE 4.16Å
127	A	94.3	Very high	94.5	Very high	2 Å²	2	43.1 Å²	43.1	2%	0.017	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-12	174.8	0	0	0	0	0	113.4	V123 E124 S125 R383 V402 L403 R406	V123-A127 WeakPolarHBondContact O-CB 3.22Å; V123-A127 PolarHBondContact O-N 3.28Å; E124-A127 PolarHBondContact O-N 3.04Å; S125-A127 PolarHBondContact O-N 2.86Å; A127-R383 VanDerWaalsContact O-CD 3.3Å; A127-R383 WeakPolarHBondContact O-CD 3.5Å; A127-R383 WeakPolarHBondContact O-CG 3.26Å; A127-V402 HydrophobicContact CB-CG1 3.93Å; A127-L403 HydrophobicContact CB-CD2 4.14Å; A127-R406 PolarHBondContact O-NH1 2.92Å
128	I	92.4	Very high	94.5	Very high	117 Å²	117	42 Å²	42	60%	0.6	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-114.7	-13.8	175.6	63.9	170.4	0	0	0	113.9	S125 V126	S125-I128 VanDerWaalsContact O-CG1 3.26Å; S125-I128 WeakPolarHBondContact O-CG1 3.24Å; S125-I128 PolarHBondContact O-N 2.77Å; S125-I128 VanDerWaalsContact O-N 3.15Å; V126-I128 VanDerWaalsContact C-N 3.29Å
129	T	91.9	Very high	94.3	Very high	26 Å²	26	46 Å²	46	16%	0.16	23%	0.225	C	C	.	.	S	Bend	trans	-141.4	-179.3	179.7	-166.1	0	0	0	0	113.1	S125 S133 A134 L137 R383	S125-T129 WeakPolarHBondContact O-CG2 3.43Å; S125-T129 PolarHBondContact O-N 3.49Å; T129-S133 WeakPolarHBondContact OG1-CB 3.34Å; T129-A134 HydrophobicContact CG2-CB 3.93Å; T129-L137 HydrophobicContact CG2-CD1 4.11Å; T129-R383 PolarHBondContact O-NE 2.98Å; T129-R383 PolarHBondContact O-NH2 3.44Å
130	T	91.2	Very high	94	Very high	37 Å²	37	50.1 Å²	50.1	23%	0.227	25%	0.254	C	S	.	.			trans	-69.1	158.2	175.7	77.8	0	0	0	0	111.3	R132 S133 A134	T130-R132 PolarHBondContact O-N 2.87Å; T130-S133 PolarHBondContact O-N 3.45Å; T130-S133 WeakPolarHBondContact OG1-CB 3.41Å; T130-S133 PolarHBondContact OG1-N 2.74Å; T130-S133 VanDerWaalsContact OG1-N 3.11Å; T130-S133 PolarHBondContact OG1-OG 3.38Å; T130-A134 VanDerWaalsContact O-CB 3.27Å; T130-A134 WeakPolarHBondContact O-CB 3.45Å; T130-A134 PolarHBondContact O-N 2.88Å
131	S	92.1	Very high	93.7	Very high	21 Å²	21	54.7 Å²	54.7	15%	0.147	28%	0.279	C	S	.	.	H	α-helix	trans	-63.9	-27.1	178.2	-49.5	0	0	0	0	113.5	S135 I152	S131-S135 WeakPolarHBondContact O-CB 3.34Å; S131-S135 PolarHBondContact O-N 3Å; S131-S135 VanDerWaalsContact O-N 3.11Å; S131-I152 VanDerWaalsContact OG-CG1 3.28Å; S131-I152 WeakPolarHBondContact OG-CG1 3.32Å
132	R	92.6	Very high	93.3	Very high	170 Å²	170	52.4 Å²	52.4	64%	0.642	28%	0.278	S	S	*	.	H	α-helix	trans	-72.3	-52	174.8	-68.8	-177.9	-176.2	138.6	-2.1	110.7	T130 A134 S135 E136 H148	T130-R132 PolarHBondContact O-N 2.87Å; R132-A134 VanDerWaalsContact C-N 3.26Å; R132-A134 PolarHBondContact O-N 3.45Å; R132-S135 WeakPolarHBondContact O-CA 3.4Å; R132-S135 VanDerWaalsContact O-CB 3.31Å; R132-S135 WeakPolarHBondContact O-CB 3.35Å; R132-S135 PolarHBondContact O-N 3.45Å; R132-E136 PolarHBondContact O-N 3.29Å; R132-H148 HydrophobicContact CG-CB 4.02Å
133	S	93.7	Very high	92.8	Very high	37 Å²	37	55 Å²	55	26%	0.259	31%	0.306	S	S	.	.	H	α-helix	trans	-61.8	-35.2	175.5	-50.3	0	0	0	0	112.2	T129 T130 E136 L137	T129-S133 WeakPolarHBondContact OG1-CB 3.34Å; T130-S133 PolarHBondContact O-N 3.45Å; T130-S133 WeakPolarHBondContact OG1-CB 3.41Å; T130-S133 PolarHBondContact OG1-N 2.74Å; T130-S133 VanDerWaalsContact OG1-N 3.11Å; T130-S133 PolarHBondContact OG1-OG 3.38Å; S133-E136 PolarHBondContact O-N 3.24Å; S133-L137 VanDerWaalsContact O-CB 3.28Å; S133-L137 WeakPolarHBondContact O-CB 3.22Å; S133-L137 WeakPolarHBondContact O-CG 3.39Å; S133-L137 PolarHBondContact O-N 3.14Å
134	A	94.2	Very high	92.3	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-63.6	-44.3	173.8	0	0	0	0	0	111.2	V126 T129 T130 R132 L137 L138 V151	V126-A134 HydrophobicContact CB-CB 4.03Å; V126-A134 HydrophobicContact CG2-CB 4.47Å; T129-A134 HydrophobicContact CG2-CB 3.93Å; T130-A134 VanDerWaalsContact O-CB 3.27Å; T130-A134 WeakPolarHBondContact O-CB 3.45Å; T130-A134 PolarHBondContact O-N 2.88Å; R132-A134 VanDerWaalsContact C-N 3.26Å; R132-A134 PolarHBondContact O-N 3.45Å; A134-L137 PolarHBondContact O-N 2.93Å; A134-L138 VanDerWaalsContact O-CB 3.24Å; A134-L138 WeakPolarHBondContact O-CB 3.18Å; A134-L138 VanDerWaalsContact O-CD1 3.28Å; A134-L138 WeakPolarHBondContact O-CD1 3.32Å; A134-L138 WeakPolarHBondContact O-CG 3.44Å; A134-L138 PolarHBondContact O-N 3.1Å; A134-V151 HydrophobicContact CB-CG1 4.26Å
135	S	95.7	Very high	92	Very high	25 Å²	25	56.5 Å²	56.5	18%	0.175	32%	0.321	C	S	.	.	H	α-helix	trans	-59	-47.2	174.5	164.2	0	0	0	0	111.5	S131 R132 L138 Q139 I146	S131-S135 WeakPolarHBondContact O-CB 3.34Å; S131-S135 PolarHBondContact O-N 3Å; S131-S135 VanDerWaalsContact O-N 3.11Å; R132-S135 WeakPolarHBondContact O-CA 3.4Å; R132-S135 VanDerWaalsContact O-CB 3.31Å; R132-S135 WeakPolarHBondContact O-CB 3.35Å; R132-S135 PolarHBondContact O-N 3.45Å; S135-L138 PolarHBondContact O-N 2.83Å; S135-Q139 PolarHBondContact O-N 3.1Å; S135-I146 VanDerWaalsContact CB-O 3.31Å; S135-I146 WeakPolarHBondContact CB-O 3.4Å; S135-I146 PolarHBondContact OG-O 3.27Å
136	E	95.5	Very high	92.1	Very high	126 Å²	126	55.6 Å²	55.6	59%	0.589	31%	0.313	S	S	*	.	H	α-helix	trans	-62.5	-45.6	176.7	-70.5	161.9	-166.6	0	0	112.6	R132 S133 Q139 S140	R132-E136 PolarHBondContact O-N 3.29Å; S133-E136 PolarHBondContact O-N 3.24Å; E136-Q139 PolarHBondContact O-N 3.26Å; E136-S140 WeakPolarHBondContact O-CB 3.29Å; E136-S140 PolarHBondContact O-N 3.08Å; E136-S140 PolarHBondContact O-OG 3.4Å; E136-S140 VanDerWaalsContact O-OG 3.13Å
137	L	94.4	Very high	92.1	Very high	73 Å²	73	58.1 Å²	58.1	38%	0.382	33%	0.331	S	S	.	.	H	α-helix	trans	-67.2	-36.6	178.6	-72.3	171.6	0	0	0	112.4	T129 S133 A134 Q139 S140 L141	T129-L137 HydrophobicContact CG2-CD1 4.11Å; S133-L137 VanDerWaalsContact O-CB 3.28Å; S133-L137 WeakPolarHBondContact O-CB 3.22Å; S133-L137 WeakPolarHBondContact O-CG 3.39Å; S133-L137 PolarHBondContact O-N 3.14Å; A134-L137 PolarHBondContact O-N 2.93Å; L137-Q139 VanDerWaalsContact C-N 3.33Å; L137-S140 WeakPolarHBondContact CA-OG 3.42Å; L137-S140 PolarHBondContact O-N 3.33Å; L137-S140 PolarHBondContact O-OG 3.13Å; L137-L141 HydrophobicContact CD2-CD1 4.07Å; L137-L141 VanDerWaalsContact O-CB 3.27Å; L137-L141 WeakPolarHBondContact O-CB 3.43Å; L137-L141 PolarHBondContact O-N 3.4Å
138	L	93.7	Very high	92.1	Very high	4 Å²	4	61.3 Å²	61.3	2%	0.021	35%	0.346	C	S	.	.	H	α-helix	trans	-67.3	-37.7	176	-74.5	164.3	0	0	0	110.9	I122 A134 S135 A142 G143 I144 I146 V151	I122-L138 HydrophobicContact CB-CD1 4.25Å; I122-L138 HydrophobicContact CG1-CD1 3.91Å; I122-L138 HydrophobicContact CG1-CD2 4.27Å; I122-L138 HydrophobicContact CG2-CD1 4.07Å; A134-L138 VanDerWaalsContact O-CB 3.24Å; A134-L138 WeakPolarHBondContact O-CB 3.18Å; A134-L138 VanDerWaalsContact O-CD1 3.28Å; A134-L138 WeakPolarHBondContact O-CD1 3.32Å; A134-L138 WeakPolarHBondContact O-CG 3.44Å; A134-L138 PolarHBondContact O-N 3.1Å; S135-L138 PolarHBondContact O-N 2.83Å; L138-A142 CarbonylContact O-C 3.53Å; L138-A142 WeakPolarHBondContact O-CA 3.31Å; L138-A142 WeakPolarHBondContact O-CB 3.47Å; L138-A142 PolarHBondContact O-N 2.98Å; L138-G143 PolarHBondContact O-N 2.79Å; L138-I144 CarbonylContact C-O 3.49Å; L138-I144 HydrophobicContact CB-CB 4.29Å; L138-I144 HydrophobicContact CD2-CD1 4Å; L138-I144 PolarHBondContact O-N 2.88Å; L138-I146 HydrophobicContact CB-CG2 4.24Å; L138-I146 HydrophobicContact CD1-CG2 3.82Å; L138-V151 HydrophobicContact CD1-CG2 4.37Å
139	Q	92.6	Very high	92.2	Very high	88 Å²	88	62.2 Å²	62.2	41%	0.411	35%	0.347	S	S	.	.	H	α-helix	trans	-64.8	-52.3	172	-176.8	62	37.8	0	0	111.2	S135 E136 L137 G143 I144 T145	S135-Q139 PolarHBondContact O-N 3.1Å; E136-Q139 PolarHBondContact O-N 3.26Å; L137-Q139 VanDerWaalsContact C-N 3.33Å; Q139-G143 VanDerWaalsContact O-CA 3.24Å; Q139-G143 WeakPolarHBondContact O-CA 3.37Å; Q139-G143 PolarHBondContact O-N 3.44Å; Q139-I144 WeakPolarHBondContact CA-O 3.3Å; Q139-I144 PolarHBondContact N-O 3.02Å; Q139-I144 PolarHBondContact OE1-O 3.02Å; Q139-T145 VanDerWaalsContact OE1-N 3.14Å; Q139-T145 PolarHBondContact OE1-OG1 2.86Å
140	S	90.4	Very high	92.4	Very high	86 Å²	86	63.1 Å²	63.1	60%	0.601	35%	0.354	S	S	*	.	H	α-helix	trans	-74	-38.9	-170.3	64.7	0	0	0	0	113.8	E136 L137	E136-S140 WeakPolarHBondContact O-CB 3.29Å; E136-S140 PolarHBondContact O-N 3.08Å; E136-S140 PolarHBondContact O-OG 3.4Å; E136-S140 VanDerWaalsContact O-OG 3.13Å; L137-S140 WeakPolarHBondContact CA-OG 3.42Å; L137-S140 PolarHBondContact O-N 3.33Å; L137-S140 PolarHBondContact O-OG 3.13Å
141	L	89.2	Confident	92.7	Very high	133 Å²	133	61.3 Å²	61.3	70%	0.696	34%	0.344	S	S	*	.	H	α-helix	trans	-97.5	-19	-175.1	-60.3	177.7	0	0	0	113.8	L137	L137-L141 HydrophobicContact CD2-CD1 4.07Å; L137-L141 VanDerWaalsContact O-CB 3.27Å; L137-L141 WeakPolarHBondContact O-CB 3.43Å; L137-L141 PolarHBondContact O-N 3.4Å
142	A	86.5	Confident	92.8	Very high	37 Å²	37	63.4 Å²	63.4	31%	0.306	35%	0.352	S	S	.	.	H	α-helix	trans	-129.2	-2.3	-174.9	0	0	0	0	0	113.8	L138 I144	L138-A142 CarbonylContact O-C 3.53Å; L138-A142 WeakPolarHBondContact O-CA 3.31Å; L138-A142 WeakPolarHBondContact O-CB 3.47Å; L138-A142 PolarHBondContact O-N 2.98Å; A142-I144 HydrophobicContact CB-CD1 3.46Å; A142-I144 VanDerWaalsContact CB-CD1 3.46Å; A142-I144 HydrophobicContact CB-CG1 3.88Å; A142-I144 PolarHBondContact O-N 3.23Å
143	G	86.1	Confident	93	Very high	56 Å²	56	58.9 Å²	58.9	58%	0.577	35%	0.347	S	S	*	.			trans	65.1	20.5	-177.4	0	0	0	0	0	113.6	L138 Q139	L138-G143 PolarHBondContact O-N 2.79Å; Q139-G143 VanDerWaalsContact O-CA 3.24Å; Q139-G143 WeakPolarHBondContact O-CA 3.37Å; Q139-G143 PolarHBondContact O-N 3.44Å
144	I	86.9	Confident	93.2	Very high	15 Å²	15	57.8 Å²	57.8	8%	0.077	34%	0.338	C	S	.	.			trans	-97.7	107.7	-175.2	-58.1	156.9	0	0	0	109.5	M118 L138 Q139 A142 I146	M118-I144 HydrophobicContact CE-CD1 3.47Å; M118-I144 VanDerWaalsContact CE-CD1 3.47Å; M118-I144 HydrophobicContact CE-CG1 3.88Å; M118-I144 HydrophobicContact SD-CD1 3.47Å; M118-I144 WeakPolarHBondContact SD-CD1 3.49Å; M118-I144 HydrophobicContact SD-CG1 4.25Å; M118-I144 HydrophobicContact SD-CG2 4.45Å; L138-I144 CarbonylContact C-O 3.49Å; L138-I144 HydrophobicContact CB-CB 4.29Å; L138-I144 HydrophobicContact CD2-CD1 4Å; L138-I144 PolarHBondContact O-N 2.88Å; Q139-I144 WeakPolarHBondContact CA-O 3.3Å; Q139-I144 PolarHBondContact N-O 3.02Å; Q139-I144 PolarHBondContact OE1-O 3.02Å; A142-I144 HydrophobicContact CB-CD1 3.46Å; A142-I144 VanDerWaalsContact CB-CD1 3.46Å; A142-I144 HydrophobicContact CB-CG1 3.88Å; A142-I144 PolarHBondContact O-N 3.23Å; I144-I146 HydrophobicContact CG2-CB 4.4Å; I144-I146 HydrophobicContact CG2-CG2 4.29Å; I144-I146 PolarHBondContact O-N 3Å
145	T	91	Very high	93.3	Very high	107 Å²	107	57.9 Å²	57.9	66%	0.656	34%	0.338	S	S	*	.			trans	-77.1	106.3	172.7	-45.8	0	0	0	0	110.4	Q139	Q139-T145 VanDerWaalsContact OE1-N 3.14Å; Q139-T145 PolarHBondContact OE1-OG1 2.86Å
146	I	94.9	Very high	93.4	Very high	8 Å²	8	58 Å²	58	4%	0.041	34%	0.337	C	S	.	.			trans	-141.2	135	176.5	-172.7	170.3	0	0	0	110.7	Y114 I122 S135 L138 I144 V151 L154	Y114-I146 HydrophobicContact CE1-CD1 4.03Å; Y114-I146 HydrophobicContact CE2-CD1 4.33Å; Y114-I146 WeakPolarHBondContact OH-CG1 3.23Å; I122-I146 HydrophobicContact CD1-CD1 3.79Å; I122-I146 HydrophobicContact CG2-CD1 4.35Å; S135-I146 VanDerWaalsContact CB-O 3.31Å; S135-I146 WeakPolarHBondContact CB-O 3.4Å; S135-I146 PolarHBondContact OG-O 3.27Å; L138-I146 HydrophobicContact CB-CG2 4.24Å; L138-I146 HydrophobicContact CD1-CG2 3.82Å; I144-I146 HydrophobicContact CG2-CB 4.4Å; I144-I146 HydrophobicContact CG2-CG2 4.29Å; I144-I146 PolarHBondContact O-N 3Å; I146-V151 HydrophobicContact CD1-CG2 3.9Å; I146-V151 HydrophobicContact CG1-CG2 4Å; I146-V151 HydrophobicContact CG2-CG2 3.82Å; I146-L154 HydrophobicContact CD1-CD1 3.77Å
147	S	95.8	Very high	93.5	Very high	53 Å²	53	53.8 Å²	53.8	37%	0.371	32%	0.316	S	S	.	.			trans	-72.6	151.6	175.2	77.8	0	0	0	0	111.6	Q149 S150 V151	S147-Q149 PolarHBondContact O-N 3.24Å; S147-Q149 VanDerWaalsContact O-N 3.16Å; S147-S150 PolarHBondContact O-N 3.27Å; S147-S150 VanDerWaalsContact O-N 3.08Å; S147-S150 PolarHBondContact OG-N 2.78Å; S147-S150 VanDerWaalsContact OG-N 3.13Å; S147-S150 PolarHBondContact OG-OG 2.81Å; S147-V151 WeakPolarHBondContact O-CG2 3.34Å; S147-V151 PolarHBondContact O-N 3.39Å
148	H	93.8	Very high	93.6	Very high	69 Å²	69	50.3 Å²	50.3	32%	0.319	30%	0.298	S	S	.	.	H	α-helix	trans	-57.3	-29.6	174.6	72.6	-83.7	0	0	0	113.2	R132 I152	R132-H148 HydrophobicContact CG-CB 4.02Å; H148-I152 VanDerWaalsContact O-CG1 3.29Å; H148-I152 WeakPolarHBondContact O-CG1 3.34Å; H148-I152 PolarHBondContact O-N 3.15Å; H148-I152 VanDerWaalsContact O-N 3.12Å
149	Q	95.2	Very high	93.8	Very high	135 Å²	135	50.1 Å²	50.1	63%	0.631	30%	0.297	S	S	*	.	H	α-helix	trans	-69.7	-43.7	175.3	-68.7	178.5	-20.9	0	0	111.6	S147 V151 I152 S153	S147-Q149 PolarHBondContact O-N 3.24Å; S147-Q149 VanDerWaalsContact O-N 3.16Å; Q149-V151 VanDerWaalsContact C-N 3.32Å; Q149-V151 PolarHBondContact O-N 3.37Å; Q149-I152 WeakPolarHBondContact O-CB 3.26Å; Q149-I152 PolarHBondContact O-N 2.91Å; Q149-I152 VanDerWaalsContact O-N 3.15Å; Q149-S153 PolarHBondContact O-N 2.91Å
150	S	96	Very high	94	Very high	45 Å²	45	52.2 Å²	52.2	32%	0.315	31%	0.305	S	S	.	.	H	α-helix	trans	-63.2	-39.7	174.7	-68	0	0	0	0	111.5	S147 I152 S153 L154	S147-S150 PolarHBondContact O-N 3.27Å; S147-S150 VanDerWaalsContact O-N 3.08Å; S147-S150 PolarHBondContact OG-N 2.78Å; S147-S150 VanDerWaalsContact OG-N 3.13Å; S147-S150 PolarHBondContact OG-OG 2.81Å; S150-I152 VanDerWaalsContact C-N 3.31Å; S150-I152 PolarHBondContact O-N 2.93Å; S150-S153 PolarHBondContact O-N 2.94Å; S150-L154 WeakPolarHBondContact O-CG 3.26Å; S150-L154 PolarHBondContact O-N 3.08Å
151	V	96.2	Very high	94.3	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-56.4	-45.3	171.5	172.8	0	0	0	0	111.2	I122 V126 A134 L138 I146 S147 Q149 L154 K155	I122-V151 HydrophobicContact CG2-CB 4.47Å; I122-V151 HydrophobicContact CG2-CG1 4.22Å; I122-V151 HydrophobicContact CG2-CG2 4.2Å; V126-V151 HydrophobicContact CB-CG1 3.6Å; V126-V151 HydrophobicContact CG1-CG1 4.09Å; V126-V151 HydrophobicContact CG2-CG1 3.66Å; A134-V151 HydrophobicContact CB-CG1 4.26Å; L138-V151 HydrophobicContact CD1-CG2 4.37Å; I146-V151 HydrophobicContact CD1-CG2 3.9Å; I146-V151 HydrophobicContact CG1-CG2 4Å; I146-V151 HydrophobicContact CG2-CG2 3.82Å; S147-V151 WeakPolarHBondContact O-CG2 3.34Å; S147-V151 PolarHBondContact O-N 3.39Å; Q149-V151 VanDerWaalsContact C-N 3.32Å; Q149-V151 PolarHBondContact O-N 3.37Å; V151-L154 PolarHBondContact O-N 3.15Å; V151-K155 WeakPolarHBondContact O-CB 3.27Å; V151-K155 PolarHBondContact O-N 2.67Å
152	I	95.3	Very high	94.7	Very high	64 Å²	64	43 Å²	43	33%	0.328	25%	0.248	S	C	.	.	H	α-helix	trans	-62.4	-45.5	177.1	-68.4	163.1	0	0	0	111.2	S131 H148 Q149 S150 K155 N156	S131-I152 VanDerWaalsContact OG-CG1 3.28Å; S131-I152 WeakPolarHBondContact OG-CG1 3.32Å; H148-I152 VanDerWaalsContact O-CG1 3.29Å; H148-I152 WeakPolarHBondContact O-CG1 3.34Å; H148-I152 PolarHBondContact O-N 3.15Å; H148-I152 VanDerWaalsContact O-N 3.12Å; Q149-I152 WeakPolarHBondContact O-CB 3.26Å; Q149-I152 PolarHBondContact O-N 2.91Å; Q149-I152 VanDerWaalsContact O-N 3.15Å; S150-I152 VanDerWaalsContact C-N 3.31Å; S150-I152 PolarHBondContact O-N 2.93Å; I152-K155 PolarHBondContact O-N 3.29Å; I152-N156 PolarHBondContact O-N 3.01Å; I152-N156 PolarHBondContact O-OD1 3.06Å
153	S	96.5	Very high	95.1	Very high	75 Å²	75	43.1 Å²	43.1	52%	0.524	24%	0.242	S	C	.	.	H	α-helix	trans	-60.3	-45.6	179.3	179.8	0	0	0	0	112.1	Q149 S150 N156 Y157	Q149-S153 PolarHBondContact O-N 2.91Å; S150-S153 PolarHBondContact O-N 2.94Å; S153-N156 PolarHBondContact O-N 2.97Å; S153-Y157 WeakPolarHBondContact O-CB 2.89Å; S153-Y157 PolarHBondContact O-N 3.01Å
154	L	97.2	Very high	95.6	Very high	14 Å²	14	42.5 Å²	42.5	7%	0.073	23%	0.231	C	C	.	.	H	α-helix	trans	-66.9	-37.7	177.2	-67.2	179.8	0	0	0	112.4	Y114 I119 I122 I146 S150 V151 Y157 A158	Y114-L154 HydrophobicContact CD1-CD1 4.28Å; Y114-L154 HydrophobicContact CD2-CD1 3.61Å; Y114-L154 HydrophobicContact CD2-CD2 3.97Å; Y114-L154 HydrophobicContact CD2-CG 4.28Å; Y114-L154 HydrophobicContact CE2-CD1 3.9Å; Y114-L154 HydrophobicContact CG-CD1 3.8Å; I119-L154 HydrophobicContact CD1-CD2 4.13Å; I119-L154 HydrophobicContact CG1-CD1 4.46Å; I119-L154 HydrophobicContact CG1-CD2 4.02Å; I122-L154 HydrophobicContact CD1-CD1 3.54Å; I122-L154 HydrophobicContact CG2-CD1 4.24Å; I146-L154 HydrophobicContact CD1-CD1 3.77Å; S150-L154 WeakPolarHBondContact O-CG 3.26Å; S150-L154 PolarHBondContact O-N 3.08Å; V151-L154 PolarHBondContact O-N 3.15Å; L154-Y157 WeakPolarHBondContact O-CB 3.03Å; L154-Y157 PolarHBondContact O-N 2.95Å; L154-A158 WeakPolarHBondContact O-CB 3.49Å; L154-A158 PolarHBondContact O-N 3.29Å
155	K	97.1	Very high	95.9	Very high	3 Å²	3	42.8 Å²	42.8	1%	0.013	23%	0.231	C	C	.	.	H	α-helix	trans	-61.5	-45.9	171.7	-177.3	-84.1	-60.6	179	0	111.9	V126 V151 I152 Y157 A158 G159 G395 M399 V402	V126-K155 HydrophobicContact CG1-CB 3.95Å; V126-K155 HydrophobicContact CG1-CG 3.93Å; V151-K155 WeakPolarHBondContact O-CB 3.27Å; V151-K155 PolarHBondContact O-N 2.67Å; I152-K155 PolarHBondContact O-N 3.29Å; K155-Y157 VanDerWaalsContact C-N 3.32Å; K155-Y157 PolarHBondContact O-N 2.94Å; K155-A158 PolarHBondContact O-N 2.64Å; K155-G159 PolarHBondContact O-N 3.29Å; K155-G395 PolarHBondContact NZ-O 3.17Å; K155-M399 HydrophobicContact CD-CB 4.18Å; K155-M399 HydrophobicContact CD-CE 3.73Å; K155-M399 HydrophobicContact CD-SD 4.33Å; K155-M399 HydrophobicContact CG-CE 3.64Å; K155-M399 HydrophobicContact CG-SD 4.37Å; K155-V402 HydrophobicContact CG-CG2 4.38Å
156	N	97.3	Very high	96.1	Very high	27 Å²	27	37.7 Å²	37.7	14%	0.144	20%	0.2	C	C	.	.	H	α-helix	trans	-61.3	-43.5	177.1	-76.5	4.4	0	0	0	111.1	I152 S153 A158 G159 K160 Y398	I152-N156 PolarHBondContact O-N 3.01Å; I152-N156 PolarHBondContact O-OD1 3.06Å; S153-N156 PolarHBondContact O-N 2.97Å; N156-A158 PolarHBondContact O-N 2.63Å; N156-G159 PolarHBondContact O-N 3.05Å; N156-K160 WeakPolarHBondContact O-CB 3.21Å; N156-K160 PolarHBondContact O-N 2.88Å; N156-Y398 HydrophobicContact CB-CD2 3.68Å; N156-Y398 HydrophobicContact CB-CE2 4.27Å
157	Y	96.8	Very high	96	Very high	37 Å²	37	40.7 Å²	40.7	15%	0.145	21%	0.213	C	C	.	.	H	α-helix	trans	-58.3	-46.9	173.9	164	-97.2	0	0	0	112.4	E109 K112 I119 S153 L154 K155 K160 K161 L415	E109-Y157 PolarHBondContact OE1-OH 3.47Å; E109-Y157 PolarHBondContact OE2-OH 3.44Å; K112-Y157 HydrophobicContact CD-CE2 4.35Å; K112-Y157 VanDerWaalsContact NZ-CD2 3.26Å; I119-Y157 HydrophobicContact CD1-CD1 4.05Å; I119-Y157 HydrophobicContact CD1-CE1 3.65Å; I119-Y157 HydrophobicContact CG2-CD1 4.13Å; I119-Y157 HydrophobicContact CG2-CE1 4.23Å; S153-Y157 WeakPolarHBondContact O-CB 2.89Å; S153-Y157 PolarHBondContact O-N 3.01Å; L154-Y157 WeakPolarHBondContact O-CB 3.03Å; L154-Y157 PolarHBondContact O-N 2.95Å; K155-Y157 VanDerWaalsContact C-N 3.32Å; K155-Y157 PolarHBondContact O-N 2.94Å; Y157-K160 PolarHBondContact O-N 3.04Å; Y157-K161 HydrophobicContact CE1-CD 4.16Å; Y157-K161 HydrophobicContact CE2-CD 4.19Å; Y157-K161 HydrophobicContact CE2-CG 4.43Å; Y157-K161 PolarHBondContact O-N 2.64Å; Y157-K161 VanDerWaalsContact O-N 3.07Å; Y157-K161 WeakPolarHBondContact OH-CE 3.32Å; Y157-K161 PolarHBondContact OH-NZ 3.05Å; Y157-L415 HydrophobicContact CE1-CD2 4.21Å
158	A	97.9	Very high	95.7	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-66	-40.4	177.6	0	0	0	0	0	112.3	I119 V123 L154 K155 N156 K161 A162 V402 L415	I119-A158 HydrophobicContact CG2-CB 4.41Å; V123-A158 HydrophobicContact CB-CB 4.42Å; V123-A158 HydrophobicContact CG1-CB 4.13Å; V123-A158 HydrophobicContact CG2-CB 3.53Å; L154-A158 WeakPolarHBondContact O-CB 3.49Å; L154-A158 PolarHBondContact O-N 3.29Å; K155-A158 PolarHBondContact O-N 2.64Å; N156-A158 PolarHBondContact O-N 2.63Å; A158-K161 PolarHBondContact O-N 3.44Å; A158-A162 WeakPolarHBondContact O-CB 3.41Å; A158-A162 PolarHBondContact O-N 3.32Å; A158-V402 HydrophobicContact CB-CG2 4.23Å; A158-L415 HydrophobicContact CB-CD2 3.99Å
159	G	97.8	Very high	95.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-64.9	-37.7	175.8	0	0	0	0	0	112.9	K155 N156 A162 K163 Y398	K155-G159 PolarHBondContact O-N 3.29Å; N156-G159 PolarHBondContact O-N 3.05Å; G159-A162 PolarHBondContact O-N 3.22Å; G159-K163 WeakPolarHBondContact O-CB 3.42Å; G159-K163 PolarHBondContact O-N 3.13Å; G159-Y398 WeakPolarHBondContact CA-O 3.32Å
160	K	96.7	Very high	95.2	Very high	133 Å²	133	31.1 Å²	31.1	58%	0.578	16%	0.164	S	C	*	.	H	α-helix	trans	-63	-42.5	172.3	-175.1	174.3	-177.3	170.9	0	111.6	N156 Y157 A164 Y398	N156-K160 WeakPolarHBondContact O-CB 3.21Å; N156-K160 PolarHBondContact O-N 2.88Å; Y157-K160 PolarHBondContact O-N 3.04Å; K160-A164 WeakPolarHBondContact O-CB 3.22Å; K160-A164 PolarHBondContact O-N 3.4Å; K160-Y398 HydrophobicContact CB-CD1 4.35Å; K160-Y398 HydrophobicContact CB-CE1 3.87Å; K160-Y398 HydrophobicContact CG-CE1 4.42Å
161	K	96.5	Very high	94.6	Very high	25 Å²	25	35.5 Å²	35.5	11%	0.109	18%	0.179	C	C	.	.	H	α-helix	trans	-65.1	-43.1	174.6	-85.1	-162.9	162.8	-176.3	0	112.5	E109 Y157 A158 A164 Y165 L415	E109-K161 IonicContact OE1-NZ 2.64Å; E109-K161 PolarHBondContact OE1-NZ 3.31Å; Y157-K161 HydrophobicContact CE1-CD 4.16Å; Y157-K161 HydrophobicContact CE2-CD 4.19Å; Y157-K161 HydrophobicContact CE2-CG 4.43Å; Y157-K161 PolarHBondContact O-N 2.64Å; Y157-K161 VanDerWaalsContact O-N 3.07Å; Y157-K161 WeakPolarHBondContact OH-CE 3.32Å; Y157-K161 PolarHBondContact OH-NZ 3.05Å; A158-K161 PolarHBondContact O-N 3.44Å; K161-A164 PolarHBondContact O-N 2.96Å; K161-Y165 WeakPolarHBondContact O-CB 3.27Å; K161-Y165 PolarHBondContact O-N 3.41Å; K161-L415 HydrophobicContact CD-CD2 4.44Å; K161-L415 PolarHBondContact NZ-O 3.35Å
162	A	97.1	Very high	93.9	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-59	-49	174.4	0	0	0	0	0	111.5	A158 G159 A164 Y165 E166 W401 A405 A414	A158-A162 WeakPolarHBondContact O-CB 3.41Å; A158-A162 PolarHBondContact O-N 3.32Å; G159-A162 PolarHBondContact O-N 3.22Å; A162-A164 PolarHBondContact O-N 3.06Å; A162-Y165 PolarHBondContact O-N 3.43Å; A162-E166 WeakPolarHBondContact O-CB 3.17Å; A162-E166 VanDerWaalsContact O-CG 3.27Å; A162-E166 WeakPolarHBondContact O-CG 3.42Å; A162-E166 PolarHBondContact O-N 2.95Å; A162-W401 HydrophobicContact CB-CB 4.04Å; A162-A405 HydrophobicContact CB-CB 3.92Å; A162-A414 HydrophobicContact CB-CB 4.26Å
163	K	96	Very high	92.7	Very high	39 Å²	39	43.8 Å²	43.8	17%	0.17	22%	0.215	C	C	.	.	H	α-helix	trans	-54.9	-49.5	174.8	-176.4	170.3	-168.9	168.5	0	112.1	G159 K167 E235 E397 W401	G159-K163 WeakPolarHBondContact O-CB 3.42Å; G159-K163 PolarHBondContact O-N 3.13Å; K163-K167 WeakPolarHBondContact O-CG 3.19Å; K163-K167 PolarHBondContact O-N 3.49Å; K163-K167 VanDerWaalsContact O-N 3.13Å; K163-E235 WeakPolarHBondContact CE-OE1 3.34Å; K163-E235 IonicContact NZ-OE1 2.98Å; K163-E235 PolarHBondContact NZ-OE1 2.93Å; K163-E235 IonicContact NZ-OE2 3.31Å; K163-E235 PolarHBondContact NZ-OE2 3.48Å; K163-E397 IonicContact NZ-OE1 3.36Å; K163-E397 PolarHBondContact NZ-OE1 3.42Å; K163-W401 HydrophobicContact CB-CD2 3.75Å; K163-W401 HydrophobicContact CB-CE3 4.37Å; K163-W401 HydrophobicContact CB-CG 3.8Å; K163-W401 HydrophobicContact CB-CZ2 4.38Å; K163-W401 HydrophobicContact CD-CZ2 4.23Å; K163-W401 HydrophobicContact CG-CD2 4.09Å; K163-W401 HydrophobicContact CG-CG 4.44Å; K163-W401 HydrophobicContact CG-CH2 4.45Å; K163-W401 HydrophobicContact CG-CZ2 3.79Å
164	A	94.8	Very high	91.7	Very high	43 Å²	43	47.7 Å²	47.7	36%	0.355	22%	0.222	S	C	.	.	H	α-helix	trans	-64.3	-42.4	-179.3	0	0	0	0	0	112.5	K160 K161 A162 A168 Y417	K160-A164 WeakPolarHBondContact O-CB 3.22Å; K160-A164 PolarHBondContact O-N 3.4Å; K161-A164 PolarHBondContact O-N 2.96Å; A162-A164 PolarHBondContact O-N 3.06Å; A164-A168 WeakPolarHBondContact O-CB 3.41Å; A164-A168 PolarHBondContact O-N 3.22Å; A164-A168 VanDerWaalsContact O-N 3.09Å; A164-Y417 HydrophobicContact CB-CE1 4.46Å
165	Y	95	Very high	90.7	Very high	21 Å²	21	50.2 Å²	50.2	8%	0.082	24%	0.236	C	C	.	.	H	α-helix	trans	-66	-45.5	178.7	173.4	-97.1	0	0	0	112.2	K161 A162 A168 F169 T410 Q413 A414 Y417	K161-Y165 WeakPolarHBondContact O-CB 3.27Å; K161-Y165 PolarHBondContact O-N 3.41Å; A162-Y165 PolarHBondContact O-N 3.43Å; Y165-A168 PolarHBondContact O-N 2.81Å; Y165-F169 VanDerWaalsContact O-CB 3.25Å; Y165-F169 WeakPolarHBondContact O-CB 3.5Å; Y165-F169 PolarHBondContact O-N 3.35Å; Y165-T410 HydrophobicContact CE1-CG2 3.94Å; Y165-Q413 HydrophobicContact CE1-CB 4.2Å; Y165-Q413 HydrophobicContact CE2-CB 3.83Å; Y165-A414 HydrophobicContact CD1-CB 4.06Å; Y165-A414 HydrophobicContact CG-CB 3.96Å; Y165-Y417 HydrophobicContact CD2-CD1 4.4Å; Y165-Y417 AromaticContact CD2-CD2 3.95Å; Y165-Y417 HydrophobicContact CD2-CD2 3.95Å; Y165-Y417 AromaticContact CD2-CG 3.8Å; Y165-Y417 HydrophobicContact CD2-CG 3.8Å; Y165-Y417 HydrophobicContact CG-CG 4.49Å
166	E	93.5	Very high	89.8	Confident	1 Å²	1	60.2 Å²	60.2	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-66.1	-38.8	-178.8	-69.6	-65.6	151.6	0	0	111.6	A162 F169 V170 R226 W401 T410	A162-E166 WeakPolarHBondContact O-CB 3.17Å; A162-E166 VanDerWaalsContact O-CG 3.27Å; A162-E166 WeakPolarHBondContact O-CG 3.42Å; A162-E166 PolarHBondContact O-N 2.95Å; E166-F169 WeakPolarHBondContact O-CB 3.49Å; E166-F169 PolarHBondContact O-N 2.76Å; E166-V170 WeakPolarHBondContact O-CG2 3.43Å; E166-V170 PolarHBondContact O-N 3.12Å; E166-R226 IonicContact OE1-NH2 2.74Å; E166-R226 IonicContact OE2-CZ 2.88Å; E166-R226 IonicContact OE2-NH2 3.28Å; E166-R226 PolarHBondContact OE2-NH2 3.12Å; E166-W401 HydrophobicContact CB-CE3 4.22Å; E166-W401 HydrophobicContact CB-CH2 4.46Å; E166-W401 HydrophobicContact CB-CZ3 3.6Å; E166-W401 HydrophobicContact CG-CE3 4.2Å; E166-W401 HydrophobicContact CG-CZ3 3.98Å; E166-T410 WeakPolarHBondContact OE1-CB 3.45Å; E166-T410 PolarHBondContact OE1-OG1 3.41Å
167	K	92.8	Very high	89.2	Confident	71 Å²	71	67.8 Å²	67.8	31%	0.309	31%	0.311	S	S	.	.	H	α-helix	trans	-62.2	-51.2	172.7	-74.9	-171.5	173	-159.1	0	112.6	K163 F169 V170 E171 E235	K163-K167 WeakPolarHBondContact O-CG 3.19Å; K163-K167 PolarHBondContact O-N 3.49Å; K163-K167 VanDerWaalsContact O-N 3.13Å; K167-F169 VanDerWaalsContact C-N 3.26Å; K167-F169 PolarHBondContact O-N 2.68Å; K167-V170 PolarHBondContact O-N 2.92Å; K167-V170 VanDerWaalsContact O-N 3.15Å; K167-E171 WeakPolarHBondContact O-CG 3.33Å; K167-E171 PolarHBondContact O-N 3.35Å; K167-E235 WeakPolarHBondContact CE-OE1 3.21Å; K167-E235 IonicContact NZ-OE1 2.71Å; K167-E235 PolarHBondContact NZ-OE1 3.11Å
168	A	90.8	Very high	88.6	Confident	8 Å²	8	69 Å²	69	7%	0.066	32%	0.323	C	S	.	.	H	α-helix	trans	-62.6	-36	178.5	0	0	0	0	0	111.9	A164 Y165 V170 E171 E172 Y417	A164-A168 WeakPolarHBondContact O-CB 3.41Å; A164-A168 PolarHBondContact O-N 3.22Å; A164-A168 VanDerWaalsContact O-N 3.09Å; Y165-A168 PolarHBondContact O-N 2.81Å; A168-V170 VanDerWaalsContact C-N 3.28Å; A168-V170 PolarHBondContact O-N 3.27Å; A168-E171 PolarHBondContact O-N 3.31Å; A168-E172 VanDerWaalsContact O-CB 3.22Å; A168-E172 WeakPolarHBondContact O-CB 3.3Å; A168-E172 WeakPolarHBondContact O-CG 3.31Å; A168-E172 PolarHBondContact O-N 2.66Å; A168-Y417 HydrophobicContact CB-CE1 4.1Å; A168-Y417 HydrophobicContact CB-CE2 4.42Å; A168-Y417 WeakPolarHBondContact CB-OH 3.46Å
169	F	89.3	Confident	88.2	Confident	41 Å²	41	71.9 Å²	71.9	18%	0.18	34%	0.341	C	S	.	.	H	α-helix	trans	-57.5	-43.9	175.1	175.6	-89.6	0	0	0	111.4	Y165 E166 K167 K173 R226 Y243	Y165-F169 VanDerWaalsContact O-CB 3.25Å; Y165-F169 WeakPolarHBondContact O-CB 3.5Å; Y165-F169 PolarHBondContact O-N 3.35Å; E166-F169 WeakPolarHBondContact O-CB 3.49Å; E166-F169 PolarHBondContact O-N 2.76Å; K167-F169 VanDerWaalsContact C-N 3.26Å; K167-F169 PolarHBondContact O-N 2.68Å; F169-K173 HydrophobicContact CD2-CD 3.64Å; F169-K173 HydrophobicContact CE2-CD 3.74Å; F169-K173 HydrophobicContact CG-CD 4.49Å; F169-K173 VanDerWaalsContact O-CB 3.27Å; F169-K173 WeakPolarHBondContact O-CB 3.25Å; F169-K173 PolarHBondContact O-N 3.41Å; F169-R226 VanDerWaalsContact CD1-NH2 3.3Å; F169-Y243 HydrophobicContact CE1-CD2 4.18Å; F169-Y243 HydrophobicContact CE1-CE2 4.19Å
170	V	88.3	Confident	87.9	Confident	7 Å²	7	75.7 Å²	75.7	4%	0.042	36%	0.358	C	S	.	.	H	α-helix	trans	-76.7	-38.6	-178.8	171.4	0	0	0	0	112.4	E166 K167 A168 M239 S242	E166-V170 WeakPolarHBondContact O-CG2 3.43Å; E166-V170 PolarHBondContact O-N 3.12Å; K167-V170 PolarHBondContact O-N 2.92Å; K167-V170 VanDerWaalsContact O-N 3.15Å; A168-V170 VanDerWaalsContact C-N 3.28Å; A168-V170 PolarHBondContact O-N 3.27Å; V170-M239 HydrophobicContact CB-CG 4.38Å; V170-M239 HydrophobicContact CG1-CG 4.39Å; V170-M239 WeakPolarHBondContact CG1-O 3.28Å; V170-M239 HydrophobicContact CG2-CG 3.9Å; V170-S242 VanDerWaalsContact CG1-OG 3.26Å; V170-S242 WeakPolarHBondContact CG1-OG 3.35Å
171	E	84.5	Confident	87.7	Confident	136 Å²	136	70.4 Å²	70.4	64%	0.636	34%	0.338	S	S	*	.	H	α-helix	trans	-78.3	-38	-177.3	-69.9	170.7	-173.3	0	0	113.3	K167 A168	K167-E171 WeakPolarHBondContact O-CG 3.33Å; K167-E171 PolarHBondContact O-N 3.35Å; A168-E171 PolarHBondContact O-N 3.31Å
172	E	80.4	Confident	87.6	Confident	127 Å²	127	77.1 Å²	77.1	59%	0.593	37%	0.37	S	S	*	.	H	α-helix	trans	-97.3	-25.3	-171.3	-58.5	179.7	176	0	0	113.5	A168 K174	A168-E172 VanDerWaalsContact O-CB 3.22Å; A168-E172 WeakPolarHBondContact O-CB 3.3Å; A168-E172 WeakPolarHBondContact O-CG 3.31Å; A168-E172 PolarHBondContact O-N 2.66Å; E172-K174 PolarHBondContact O-N 3.05Å
173	K	70.7	Confident	87.6	Confident	112 Å²	112	78.6 Å²	78.6	49%	0.487	38%	0.377	S	S	.	.			trans	-101.4	84.1	-179.5	-59.4	-174.7	179.8	178.9	0	111	F169	F169-K173 HydrophobicContact CD2-CD 3.64Å; F169-K173 HydrophobicContact CE2-CD 3.74Å; F169-K173 HydrophobicContact CG-CD 4.49Å; F169-K173 VanDerWaalsContact O-CB 3.27Å; F169-K173 WeakPolarHBondContact O-CB 3.25Å; F169-K173 PolarHBondContact O-N 3.41Å
174	K	75.2	Confident	87.6	Confident	157 Å²	157	76.7 Å²	76.7	68%	0.683	37%	0.369	S	S	*	.			trans	-82.3	125.7	155.4	-65.1	-167.8	176.7	-169.8	0	108.6	E172 K176 G246	E172-K174 PolarHBondContact O-N 3.05Å; K174-K176 PolarHBondContact O-N 2.88Å; K174-G246 WeakPolarHBondContact CA-O 3.38Å
175	D	76.7	Confident	87.7	Confident	66 Å²	66	74.7 Å²	74.7	35%	0.353	35%	0.352	S	S	.	.			trans	-68.5	128.8	177.2	-78.3	-30.6	0	0	0	109.8	K177 P178 G246 H247	D175-K177 PolarHBondContact O-N 2.66Å; D175-P178 WeakPolarHBondContact O-CD 3.48Å; D175-G246 PolarHBondContact N-O 3.48Å; D175-H247 IonicContact OD2-CE1 3.88Å; D175-H247 PolarHBondContact OD2-CE1 2.86Å; D175-H247 VanDerWaalsContact OD2-CE1 3.24Å; D175-H247 IonicContact OD2-CG 2.64Å; D175-H247 IonicContact OD2-ND1 3.59Å; D175-H247 PolarHBondContact OD2-ND1 3.41Å
176	K	78.2	Confident	87.7	Confident	213 Å²	213	73.7 Å²	73.7	93%	0.926	35%	0.348	S	S	*	.	S	Bend	trans	-62.7	-22.4	177.4	-65.8	-174	177.8	-174.5	0	112.4	K174	K174-K176 PolarHBondContact O-N 2.88Å
177	K	83.6	Confident	87.8	Confident	186 Å²	186	73.8 Å²	73.8	81%	0.809	35%	0.349	S	S	*	.	S	Bend	trans	-130.8	88.6	172.8	-67.6	-175.4	179.6	-174.3	0	106.9	D175	D175-K177 PolarHBondContact O-N 2.66Å
178	P	85.4	Confident	87.8	Confident	62 Å²	62	70.6 Å²	70.6	40%	0.403	34%	0.336	S	S	.	.			trans	-56.3	143.8	174.9	-22.4	33.3	0	0	0	110.4	D175 H247 D249	D175-P178 WeakPolarHBondContact O-CD 3.48Å; P178-H247 WeakPolarHBondContact CA-O 3.27Å; P178-D249 HydrophobicContact CB-CB 4.14Å
179	V	88.9	Confident	87.7	Confident	61 Å²	61	71.4 Å²	71.4	37%	0.37	34%	0.34	S	S	.	.	B	Isolated β-bridge	trans	-77	140.6	174.2	-174	0	0	0	0	108.3	P181 H247 Y248 D249	V179-P181 WeakPolarHBondContact O-CD 3.48Å; V179-H247 PolarHBondContact N-O 3.12Å; V179-Y248 HydrophobicContact CB-CD1 3.9Å; V179-Y248 HydrophobicContact CB-CE1 4.18Å; V179-Y248 HydrophobicContact CG1-CD1 4.48Å; V179-Y248 CarbonylContact O-C 3.58Å; V179-Y248 WeakPolarHBondContact O-CA 3.35Å; V179-D249 PolarHBondContact O-N 2.93Å
180	Q	91.5	Very high	87.7	Confident	80 Å²	80	70.1 Å²	70.1	37%	0.374	34%	0.338	S	S	.	.			trans	-121.1	79.3	176.3	-179	164.6	74	0	0	109.3	D249 S251 K252	Q180-D249 HydrophobicContact CB-CB 4.42Å; Q180-D249 PolarHBondContact NE2-O 3.2Å; Q180-D249 PolarHBondContact NE2-OD2 3.48Å; Q180-S251 PolarHBondContact NE2-OG 3.49Å; Q180-K252 HydrophobicContact CG-CB 4.26Å
181	P	92.4	Very high	87.6	Confident	22 Å²	22	69.9 Å²	69.9	14%	0.143	34%	0.336	C	S	.	.			trans	-71.5	151.3	173	32	-34.4	0	0	0	110.4	V179 I183 I184 Y248 T253	V179-P181 WeakPolarHBondContact O-CD 3.48Å; P181-I183 VanDerWaalsContact C-N 3.33Å; P181-I184 HydrophobicContact CB-CG1 4.3Å; P181-I184 HydrophobicContact CG-CD1 3.51Å; P181-I184 HydrophobicContact CG-CG1 3.37Å; P181-Y248 HydrophobicContact CG-CD1 4Å; P181-Y248 HydrophobicContact CG-CE1 4.18Å; P181-T253 HydrophobicContact CG-CG2 4.31Å; P181-T253 WeakPolarHBondContact O-CB 3.09Å; P181-T253 WeakPolarHBondContact O-CG2 3.49Å; P181-T253 PolarHBondContact O-OG1 2.87Å
182	E	94.8	Very high	87.6	Confident	166 Å²	166	68.6 Å²	68.6	78%	0.776	33%	0.332	S	S	*	.	S	Bend	trans	-66	-38.6	174.6	-65.8	179.4	175.3	0	0	111.4	T253 T254	E182-T253 WeakPolarHBondContact O-CA 3.39Å; E182-T254 PolarHBondContact O-N 3.33Å
183	I	96.1	Very high	87.8	Confident	31 Å²	31	62.7 Å²	62.7	16%	0.159	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	137.8	-179.3	-59.4	179.1	0	0	0	110.4	P181 T254 L256 T366 I368	P181-I183 VanDerWaalsContact C-N 3.33Å; I183-T254 VanDerWaalsContact CA-O 3.29Å; I183-T254 WeakPolarHBondContact CA-O 3.25Å; I183-L256 HydrophobicContact CG2-CD1 3.63Å; I183-L256 HydrophobicContact CG2-CG 3.77Å; I183-T366 HydrophobicContact CD1-CG2 4.47Å; I183-I368 HydrophobicContact CB-CD1 4.34Å; I183-I368 HydrophobicContact CG2-CD1 3.63Å
184	I	96.6	Very high	88	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	140.8	165.9	-67.5	174.4	0	0	0	108.6	P181 I186 V209 Y248 L250 T253 T254 V255 L256	P181-I184 HydrophobicContact CB-CG1 4.3Å; P181-I184 HydrophobicContact CG-CD1 3.51Å; P181-I184 HydrophobicContact CG-CG1 3.37Å; I184-I186 HydrophobicContact CG2-CG1 4.18Å; I184-V209 HydrophobicContact CG2-CG1 3.56Å; I184-Y248 HydrophobicContact CD1-CD1 3.8Å; I184-Y248 HydrophobicContact CD1-CD2 3.66Å; I184-Y248 HydrophobicContact CD1-CE1 4Å; I184-Y248 HydrophobicContact CD1-CE2 3.85Å; I184-Y248 HydrophobicContact CD1-CG 3.63Å; I184-L250 HydrophobicContact CD1-CD2 3.92Å; I184-T253 HydrophobicContact CB-CG2 4.18Å; I184-T253 HydrophobicContact CD1-CG2 3.98Å; I184-T253 HydrophobicContact CG1-CG2 3.82Å; I184-T254 PolarHBondContact N-O 3.15Å; I184-V255 CarbonylContact O-C 3.56Å; I184-V255 WeakPolarHBondContact O-CA 3.36Å; I184-L256 PolarHBondContact O-N 3.19Å
185	A	96.6	Very high	87.9	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	139.4	169.5	0	0	0	0	0	111.9	V209 Y210 L256 I368 L370	A185-V209 WeakPolarHBondContact O-CA 3.45Å; A185-Y210 HydrophobicContact CB-CD1 4.21Å; A185-Y210 HydrophobicContact CB-CD2 4.02Å; A185-Y210 HydrophobicContact CB-CE1 3.73Å; A185-Y210 HydrophobicContact CB-CE2 3.53Å; A185-Y210 HydrophobicContact CB-CG 4.35Å; A185-Y210 PolarHBondContact N-O 3.26Å; A185-Y210 PolarHBondContact O-N 2.96Å; A185-L256 CarbonylContact C-O 3.55Å; A185-L256 VanDerWaalsContact CA-O 3.26Å; A185-L256 WeakPolarHBondContact CA-O 3.42Å; A185-L256 HydrophobicContact CB-CB 4.45Å; A185-I368 HydrophobicContact CB-CD1 4.26Å; A185-I368 HydrophobicContact CB-CG2 3.94Å; A185-L370 HydrophobicContact CB-CD2 4.09Å
186	I	96.2	Very high	87.5	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	121.9	176.8	-48.9	180	0	0	0	108.9	I184 L207 Q208 V209 L244 V255 L256 S257 N258 F270 M273 V274	I184-I186 HydrophobicContact CG2-CG1 4.18Å; I186-L207 HydrophobicContact CG2-CD2 4.34Å; I186-Q208 CarbonylContact C-O 3.54Å; I186-Q208 VanDerWaalsContact CA-O 3.26Å; I186-Q208 WeakPolarHBondContact CA-O 3.5Å; I186-V209 HydrophobicContact CG1-CG2 4.25Å; I186-V209 HydrophobicContact CG2-CG2 4.32Å; I186-L244 HydrophobicContact CD1-CD1 3.71Å; I186-L244 HydrophobicContact CD1-CD2 4.29Å; I186-V255 HydrophobicContact CD1-CG1 3.76Å; I186-V255 HydrophobicContact CG1-CG1 4.12Å; I186-L256 PolarHBondContact N-O 3.4Å; I186-S257 CarbonylContact O-C 3.59Å; I186-S257 VanDerWaalsContact O-CA 3.23Å; I186-S257 WeakPolarHBondContact O-CA 3.48Å; I186-N258 PolarHBondContact O-N 3.24Å; I186-F270 HydrophobicContact CG2-CD1 4.31Å; I186-F270 HydrophobicContact CG2-CE1 4.08Å; I186-M273 HydrophobicContact CD1-CE 4Å; I186-M273 HydrophobicContact CG2-CE 3.82Å; I186-V274 HydrophobicContact CD1-CG1 3.54Å
187	E	94.2	Very high	87	Confident	3 Å²	3	59.1 Å²	59.1	1%	0.014	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	130.4	176.7	-53.9	-175.6	150.2	0	0	110.5	L207 Q208 Y210 N258 L370 G371 T372 A373	E187-L207 CarbonylContact O-C 3.45Å; E187-L207 WeakPolarHBondContact O-CA 3.29Å; E187-Q208 HydrophobicContact CB-CG 3.87Å; E187-Q208 PolarHBondContact N-O 3.41Å; E187-Q208 PolarHBondContact O-N 2.96Å; E187-Q208 PolarHBondContact OE2-NE2 2.78Å; E187-Y210 HydrophobicContact CG-CE1 4.03Å; E187-Y210 PolarHBondContact OE1-OH 3.47Å; E187-Y210 VanDerWaalsContact OE1-OH 3.08Å; E187-N258 WeakPolarHBondContact CA-O 3.33Å; E187-N258 HydrophobicContact CG-CB 4.08Å; E187-L370 HydrophobicContact CG-CD2 4.49Å; E187-L370 VanDerWaalsContact OE1-CA 3.27Å; E187-L370 WeakPolarHBondContact OE1-CA 3.44Å; E187-G371 PolarHBondContact OE1-N 2.89Å; E187-T372 PolarHBondContact OE1-N 3.47Å; E187-T372 VanDerWaalsContact OE1-N 3.15Å; E187-T372 PolarHBondContact OE2-N 3.05Å; E187-T372 PolarHBondContact OE2-OG1 3.46Å; E187-T372 VanDerWaalsContact OE2-OG1 3.09Å; E187-A373 HydrophobicContact CB-CB 4.11Å; E187-A373 WeakPolarHBondContact OE2-CA 3.37Å; E187-A373 VanDerWaalsContact OE2-CB 3.32Å; E187-A373 WeakPolarHBondContact OE2-CB 3.38Å; E187-A373 PolarHBondContact OE2-N 3.36Å
188	G	92.6	Very high	86	Confident	5 Å²	5	60.6 Å²	60.6	5%	0.052	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	138.6	-179.7	0	0	0	0	0	113.1	R206 N258	G188-R206 WeakPolarHBondContact CA-O 3.26Å; G188-N258 PolarHBondContact N-O 2.87Å
189	D	88.8	Confident	85.2	Confident	25 Å²	25	61.5 Å²	61.5	13%	0.134	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	149.3	-176.9	-171.2	11.3	0	0	0	112	R206 Y265 H377	D189-R206 PolarHBondContact N-O 2.95Å; D189-R206 VanDerWaalsContact N-O 3.08Å; D189-R206 PolarHBondContact O-N 2.79Å; D189-R206 IonicContact OD2-NH2 3.42Å; D189-Y265 VanDerWaalsContact C-OH 3.31Å; D189-Y265 PolarHBondContact O-OH 2.86Å; D189-H377 IonicContact OD2-CE1 3.24Å; D189-H377 PolarHBondContact OD2-CE1 3.49Å; D189-H377 VanDerWaalsContact OD2-CE1 3.22Å; D189-H377 IonicContact OD2-CG 2.79Å; D189-H377 IonicContact OD2-ND1 3.15Å; D189-H377 PolarHBondContact OD2-ND1 3.36Å
190	G	89.2	Confident	84.5	Confident	14 Å²	14	63 Å²	63	14%	0.144	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	145.7	-179.9	0	0	0	0	0	113.7	E203 V204 H377	G190-E203 WeakPolarHBondContact CA-OE1 3.44Å; G190-V204 CarbonylContact C-O 3.58Å; G190-H377 PolarHBondContact O-CE1 3.44Å
191	I	86.8	Confident	83.9	Confident	1 Å²	1	63.7 Å²	63.7	1%	0.005	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	111.1	167.7	-38.1	-176.5	0	0	0	110	L193 E203 V204 Y380 K385	I191-L193 HydrophobicContact CG2-CD2 3.77Å; I191-L193 HydrophobicContact CG2-CG 4.23Å; I191-L193 PolarHBondContact O-N 2.99Å; I191-E203 CarbonylContact O-C 3.46Å; I191-E203 WeakPolarHBondContact O-CA 3.39Å; I191-V204 HydrophobicContact CB-CB 4.22Å; I191-V204 HydrophobicContact CG1-CB 4.41Å; I191-V204 PolarHBondContact N-O 3.36Å; I191-V204 PolarHBondContact O-N 3.42Å; I191-Y380 VanDerWaalsContact CD1-CB 3.47Å; I191-Y380 HydrophobicContact CD1-CG 4.38Å; I191-K385 HydrophobicContact CG2-CD 4.36Å; I191-K385 HydrophobicContact CG2-CG 4.35Å
192	I	85.9	Confident	83.5	Confident	109 Å²	109	64 Å²	64	56%	0.559	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.4	125.3	168.3	-55.2	176.3	0	0	0	109.6	V201 K385	I192-V201 HydrophobicContact CG2-CB 3.94Å; I192-V201 HydrophobicContact CG2-CG1 4.06Å; I192-V201 HydrophobicContact CG2-CG2 4.48Å; I192-K385 WeakPolarHBondContact O-CE 3.27Å
193	L	83	Confident	83.2	Confident	4 Å²	4	59.6 Å²	59.6	2%	0.021	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	143.6	179.4	-61.9	-177.9	0	0	0	110.7	I191 V201 S202 V204 M384 K385 M396	I191-L193 HydrophobicContact CG2-CD2 3.77Å; I191-L193 HydrophobicContact CG2-CG 4.23Å; I191-L193 PolarHBondContact O-N 2.99Å; L193-V201 CarbonylContact O-C 3.59Å; L193-V201 VanDerWaalsContact O-CA 3.32Å; L193-V201 WeakPolarHBondContact O-CA 3.41Å; L193-S202 PolarHBondContact N-O 3.13Å; L193-S202 PolarHBondContact O-N 3.41Å; L193-V204 HydrophobicContact CD1-CG2 3.55Å; L193-V204 HydrophobicContact CG-CG2 4.42Å; L193-M384 HydrophobicContact CD1-CB 3.89Å; L193-M384 HydrophobicContact CD1-CE 3.77Å; L193-M384 HydrophobicContact CD1-CG 4.46Å; L193-M384 HydrophobicContact CD2-CB 3.69Å; L193-M384 HydrophobicContact CG-CB 4.49Å; L193-K385 HydrophobicContact CD2-CG 3.75Å; L193-M396 HydrophobicContact CB-CE 3.8Å; L193-M396 HydrophobicContact CB-SD 4.37Å; L193-M396 HydrophobicContact CD1-CE 3.88Å; L193-M396 HydrophobicContact CD1-CG 4Å; L193-M396 HydrophobicContact CD1-SD 3.72Å
194	K	75.4	Confident	83	Confident	170 Å²	170	58.2 Å²	58.2	74%	0.739	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.4	131.9	175.1	-64.7	-175.5	177.4	-174.2	0	110.3
195	N	72.7	Confident	82.9	Confident	15 Å²	15	59 Å²	59	8%	0.08	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-83	171.4	175.5	-70.6	-33.4	0	0	0	112.3	K197 E200 S202 M396	N195-K197 VanDerWaalsContact C-N 3.32Å; N195-E200 HydrophobicContact CB-CB 4.1Å; N195-E200 WeakPolarHBondContact CB-O 3.45Å; N195-E200 PolarHBondContact N-O 3.09Å; N195-E200 WeakPolarHBondContact ND2-CG 3.35Å; N195-S202 PolarHBondContact ND2-N 3.36Å; N195-S202 PolarHBondContact ND2-OG 3.42Å; N195-S202 WeakPolarHBondContact OD1-CB 3.34Å; N195-S202 PolarHBondContact OD1-OG 2.86Å; N195-M396 WeakPolarHBondContact OD1-CE 3.33Å
196	K	68.2	Low	82.8	Confident	137 Å²	137	59.7 Å²	59.7	60%	0.596	31%	0.308	S	S	*	.	S	Bend	trans	-64.3	-34.2	169.4	-82.8	-179.8	176.2	-169.9	0	113.2	S390 W391	K196-S390 WeakPolarHBondContact CE-O 3.49Å; K196-S390 VanDerWaalsContact CG-OG 3.29Å; K196-S390 WeakPolarHBondContact CG-OG 3.37Å; K196-W391 PolarHBondContact N-O 3.24Å
197	K	67.3	Low	82.7	Confident	151 Å²	151	59.8 Å²	59.8	66%	0.657	31%	0.309	S	S	*	.	S	Bend	trans	-74.7	126.3	173.9	-66.4	-172.8	-174.2	169.4	0	108.9	N195 G199 E200	N195-K197 VanDerWaalsContact C-N 3.32Å; K197-G199 PolarHBondContact O-N 2.88Å; K197-E200 HydrophobicContact CB-CB 4.18Å; K197-E200 WeakPolarHBondContact CB-OE2 3.33Å; K197-E200 WeakPolarHBondContact CD-OE2 3.49Å; K197-E200 PolarHBondContact O-N 3.18Å
198	K	64.2	Low	82.8	Confident	216 Å²	216	60.1 Å²	60.1	94%	0.939	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	126.1	-177.4	-168.9	178.6	-179.8	-176.8	0	109.5	E200	K198-E200 VanDerWaalsContact C-N 3.34Å; K198-E200 PolarHBondContact O-N 3.49Å
199	G	67.1	Low	82.9	Confident	81 Å²	81	59.9 Å²	59.9	84%	0.835	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.4	-16.7	178.8	0	0	0	0	0	115.4	K197	K197-G199 PolarHBondContact O-N 2.88Å
200	E	75.4	Confident	83.2	Confident	94 Å²	94	58.7 Å²	58.7	44%	0.439	30%	0.301	S	S	.	.			trans	-84.4	133.4	179.4	-160.2	-174.4	-179.7	0	0	110.5	N195 K197 K198	N195-E200 HydrophobicContact CB-CB 4.1Å; N195-E200 WeakPolarHBondContact CB-O 3.45Å; N195-E200 PolarHBondContact N-O 3.09Å; N195-E200 WeakPolarHBondContact ND2-CG 3.35Å; K197-E200 HydrophobicContact CB-CB 4.18Å; K197-E200 WeakPolarHBondContact CB-OE2 3.33Å; K197-E200 WeakPolarHBondContact CD-OE2 3.49Å; K197-E200 PolarHBondContact O-N 3.18Å; K198-E200 VanDerWaalsContact C-N 3.34Å; K198-E200 PolarHBondContact O-N 3.49Å
201	V	77.6	Confident	83.5	Confident	93 Å²	93	60.9 Å²	60.9	56%	0.564	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.2	140.4	174.4	-67.3	0	0	0	0	109.3	I192 L193	I192-V201 HydrophobicContact CG2-CB 3.94Å; I192-V201 HydrophobicContact CG2-CG1 4.06Å; I192-V201 HydrophobicContact CG2-CG2 4.48Å; L193-V201 CarbonylContact O-C 3.59Å; L193-V201 VanDerWaalsContact O-CA 3.32Å; L193-V201 WeakPolarHBondContact O-CA 3.41Å
202	S	85.2	Confident	83.7	Confident	29 Å²	29	61.5 Å²	61.5	20%	0.203	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	153.4	166.9	-64.9	0	0	0	0	108.7	L193 N195 M396	L193-S202 PolarHBondContact N-O 3.13Å; L193-S202 PolarHBondContact O-N 3.41Å; N195-S202 PolarHBondContact ND2-N 3.36Å; N195-S202 PolarHBondContact ND2-OG 3.42Å; N195-S202 WeakPolarHBondContact OD1-CB 3.34Å; N195-S202 PolarHBondContact OD1-OG 2.86Å; S202-M396 VanDerWaalsContact CB-SD 3.57Å
203	E	88.8	Confident	84	Confident	74 Å²	74	57 Å²	57	35%	0.346	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	139.3	173.5	-158.8	-177.8	150.7	0	0	110.3	G190 I191 H205	G190-E203 WeakPolarHBondContact CA-OE1 3.44Å; I191-E203 CarbonylContact O-C 3.46Å; I191-E203 WeakPolarHBondContact O-CA 3.39Å; E203-H205 IonicContact OE1-CE1 3.08Å; E203-H205 PolarHBondContact OE1-CE1 3.05Å; E203-H205 VanDerWaalsContact OE1-CE1 3.24Å; E203-H205 IonicContact OE1-ND1 2.69Å; E203-H205 PolarHBondContact OE1-ND1 3.33Å; E203-H205 VanDerWaalsContact OE1-ND1 3.15Å; E203-H205 IonicContact OE2-CE1 3.6Å; E203-H205 PolarHBondContact OE2-CE1 3.4Å
204	V	91.9	Very high	84.3	Confident	1 Å²	1	63.3 Å²	63.3	1%	0.006	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	114.7	165.6	173.8	0	0	0	0	107.2	G190 I191 L193 R206 A229 T231 M396 V400	G190-V204 CarbonylContact C-O 3.58Å; I191-V204 HydrophobicContact CB-CB 4.22Å; I191-V204 HydrophobicContact CG1-CB 4.41Å; I191-V204 PolarHBondContact N-O 3.36Å; I191-V204 PolarHBondContact O-N 3.42Å; L193-V204 HydrophobicContact CD1-CG2 3.55Å; L193-V204 HydrophobicContact CG-CG2 4.42Å; V204-R206 HydrophobicContact CG1-CG 4.34Å; V204-A229 HydrophobicContact CG1-CB 4.36Å; V204-T231 HydrophobicContact CG2-CG2 4.21Å; V204-M396 HydrophobicContact CG2-CG 4.14Å; V204-M396 HydrophobicContact CG2-SD 4.01Å; V204-V400 HydrophobicContact CB-CG2 4.31Å; V204-V400 HydrophobicContact CG1-CB 4.45Å; V204-V400 HydrophobicContact CG1-CG1 3.85Å; V204-V400 HydrophobicContact CG1-CG2 3.65Å; V204-V400 HydrophobicContact CG2-CG2 3.62Å
205	H	93.9	Very high	84.8	Confident	18 Å²	18	62.4 Å²	62.4	8%	0.083	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	144.6	177.9	-55.2	-75.6	0	0	0	109.5	E203 A229 S230 R233 L236 Y265	E203-H205 IonicContact OE1-CE1 3.08Å; E203-H205 PolarHBondContact OE1-CE1 3.05Å; E203-H205 VanDerWaalsContact OE1-CE1 3.24Å; E203-H205 IonicContact OE1-ND1 2.69Å; E203-H205 PolarHBondContact OE1-ND1 3.33Å; E203-H205 VanDerWaalsContact OE1-ND1 3.15Å; E203-H205 IonicContact OE2-CE1 3.6Å; E203-H205 PolarHBondContact OE2-CE1 3.4Å; H205-A229 CarbonylContact O-C 3.6Å; H205-A229 WeakPolarHBondContact O-CA 3.41Å; H205-S230 PolarHBondContact N-O 3.21Å; H205-S230 PolarHBondContact O-N 3.45Å; H205-R233 HydrophobicContact CB-CB 4.45Å; H205-R233 PolarHBondContact CD2-N 3.18Å; H205-L236 HydrophobicContact CB-CD2 3.48Å; H205-L236 VanDerWaalsContact CB-CD2 3.48Å; H205-L236 WeakPolarHBondContact O-CD2 3.32Å; H205-Y265 VanDerWaalsContact CA-OH 3.24Å; H205-Y265 WeakPolarHBondContact CA-OH 3.43Å; H205-Y265 WeakPolarHBondContact CB-OH 3.4Å
206	R	93.5	Very high	85.2	Confident	13 Å²	13	67.8 Å²	67.8	5%	0.049	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	148.3	178.6	-52.3	-160.8	-44.5	-93.9	-21	112	G188 D189 V204 F228 A229 Y265 H377 Y380	G188-R206 WeakPolarHBondContact CA-O 3.26Å; D189-R206 PolarHBondContact N-O 2.95Å; D189-R206 VanDerWaalsContact N-O 3.08Å; D189-R206 PolarHBondContact O-N 2.79Å; D189-R206 IonicContact OD2-NH2 3.42Å; V204-R206 HydrophobicContact CG1-CG 4.34Å; R206-F228 VanDerWaalsContact CA-O 3.27Å; R206-F228 WeakPolarHBondContact CA-O 3.48Å; R206-A229 HydrophobicContact CB-CB 4.42Å; R206-A229 HydrophobicContact CG-CB 3.8Å; R206-Y265 PolarHBondContact N-OH 2.88Å; R206-H377 PolarHBondContact NH1-CD2 3.45Å; R206-H377 VanDerWaalsContact NH1-CD2 3.31Å; R206-H377 PolarHBondContact NH1-CE1 3.4Å; R206-H377 VanDerWaalsContact NH1-CE1 3.29Å; R206-H377 PolarHBondContact NH1-ND1 2.92Å; R206-H377 PolarHBondContact NH1-NE2 2.85Å; R206-H377 PolarHBondContact NH2-ND1 3.34Å; R206-Y380 VanDerWaalsContact CD-CD2 3.47Å
207	L	95.1	Very high	86	Confident	3 Å²	3	64.4 Å²	64.4	2%	0.016	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	148	168.1	-69.2	171.2	0	0	0	108.7	I186 E187 F228 L236 F237 A240 Y265 F270 M273	I186-L207 HydrophobicContact CG2-CD2 4.34Å; E187-L207 CarbonylContact O-C 3.45Å; E187-L207 WeakPolarHBondContact O-CA 3.29Å; L207-F228 HydrophobicContact CB-CB 4.34Å; L207-F228 HydrophobicContact CB-CD2 4.37Å; L207-F228 PolarHBondContact N-O 3.43Å; L207-F228 PolarHBondContact O-N 3.13Å; L207-F228 VanDerWaalsContact O-O 3.1Å; L207-L236 HydrophobicContact CD1-CD2 4.3Å; L207-L236 HydrophobicContact CD1-CG 4.06Å; L207-L236 HydrophobicContact CG-CD2 4.01Å; L207-L236 HydrophobicContact CG-CG 4.22Å; L207-F237 HydrophobicContact CD1-CD1 4.24Å; L207-F237 HydrophobicContact CD1-CD2 4.18Å; L207-F237 HydrophobicContact CD1-CE1 4.31Å; L207-F237 HydrophobicContact CD1-CE2 4.25Å; L207-F237 HydrophobicContact CD1-CG 4.19Å; L207-F237 HydrophobicContact CD1-CZ 4.32Å; L207-F237 HydrophobicContact CD2-CZ 4.18Å; L207-A240 HydrophobicContact CD1-CB 3.56Å; L207-Y265 HydrophobicContact CD2-CE1 4.35Å; L207-F270 HydrophobicContact CD2-CE1 3.99Å; L207-F270 HydrophobicContact CD2-CZ 4.41Å; L207-M273 HydrophobicContact CD1-CE 4.38Å; L207-M273 HydrophobicContact CD1-SD 3.87Å
208	Q	95.3	Very high	86.8	Confident	10 Å²	10	65.7 Å²	65.7	5%	0.047	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	138.7	166.9	60.8	-179.6	25.2	0	0	110.2	I186 E187 L225 R226 T372 N376	I186-Q208 CarbonylContact C-O 3.54Å; I186-Q208 VanDerWaalsContact CA-O 3.26Å; I186-Q208 WeakPolarHBondContact CA-O 3.5Å; E187-Q208 HydrophobicContact CB-CG 3.87Å; E187-Q208 PolarHBondContact N-O 3.41Å; E187-Q208 PolarHBondContact O-N 2.96Å; E187-Q208 PolarHBondContact OE2-NE2 2.78Å; Q208-L225 HydrophobicContact CB-CD1 4.02Å; Q208-R226 CarbonylContact C-O 3.57Å; Q208-R226 WeakPolarHBondContact CA-O 3.41Å; Q208-T372 PolarHBondContact NE2-OG1 3Å; Q208-N376 VanDerWaalsContact OE1-CB 3.23Å; Q208-N376 PolarHBondContact OE1-ND2 2.73Å
209	V	95.8	Very high	87.7	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	134.7	178.6	-178.5	0	0	0	0	107.6	I184 A185 I186 L225 R226 F228 Y243 L244 Y248	I184-V209 HydrophobicContact CG2-CG1 3.56Å; A185-V209 WeakPolarHBondContact O-CA 3.45Å; I186-V209 HydrophobicContact CG1-CG2 4.25Å; I186-V209 HydrophobicContact CG2-CG2 4.32Å; V209-L225 CarbonylContact O-C 3.55Å; V209-L225 WeakPolarHBondContact O-CA 3.44Å; V209-R226 PolarHBondContact N-O 3.23Å; V209-R226 PolarHBondContact O-N 2.85Å; V209-F228 HydrophobicContact CG2-CE2 3.94Å; V209-Y243 HydrophobicContact CG1-CE1 4.47Å; V209-L244 HydrophobicContact CG1-CD2 3.8Å; V209-L244 HydrophobicContact CG2-CD2 4.19Å; V209-Y248 HydrophobicContact CG1-CE2 4.19Å
210	Y	95.6	Very high	88.6	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	156.4	176.5	58.8	-83.7	0	0	0	111.5	A185 E187 V213 L222 V223 I368 H369	A185-Y210 HydrophobicContact CB-CD1 4.21Å; A185-Y210 HydrophobicContact CB-CD2 4.02Å; A185-Y210 HydrophobicContact CB-CE1 3.73Å; A185-Y210 HydrophobicContact CB-CE2 3.53Å; A185-Y210 HydrophobicContact CB-CG 4.35Å; A185-Y210 PolarHBondContact N-O 3.26Å; A185-Y210 PolarHBondContact O-N 2.96Å; E187-Y210 HydrophobicContact CG-CE1 4.03Å; E187-Y210 PolarHBondContact OE1-OH 3.47Å; E187-Y210 VanDerWaalsContact OE1-OH 3.08Å; Y210-V213 HydrophobicContact CE2-CG2 4.47Å; Y210-L222 HydrophobicContact CD1-CD1 3.98Å; Y210-L222 HydrophobicContact CD2-CB 4.44Å; Y210-L222 HydrophobicContact CD2-CD1 4.47Å; Y210-L222 HydrophobicContact CD2-CD2 3.81Å; Y210-L222 HydrophobicContact CD2-CG 4.46Å; Y210-L222 HydrophobicContact CE1-CD1 4.25Å; Y210-L222 HydrophobicContact CE2-CD2 3.8Å; Y210-L222 HydrophobicContact CG-CB 4.31Å; Y210-L222 HydrophobicContact CG-CD1 4.09Å; Y210-L222 HydrophobicContact CG-CD2 4.26Å; Y210-L222 HydrophobicContact CG-CG 4.45Å; Y210-V223 WeakPolarHBondContact CB-O 3.43Å; Y210-I368 HydrophobicContact CE2-CG1 4.34Å; Y210-I368 HydrophobicContact CE2-CG2 3.9Å; Y210-H369 PolarHBondContact OH-O 3.09Å
211	E	94.6	Very high	89.2	Confident	60 Å²	60	65.9 Å²	65.9	28%	0.28	34%	0.338	S	S	.	.	S	Bend	trans	-98.8	-17.8	-171	-60.6	167.5	175.9	0	0	112.5	V223 Y248	E211-V223 PolarHBondContact N-O 3.23Å; E211-Y248 HydrophobicContact CG-CE1 4.32Å; E211-Y248 WeakPolarHBondContact OE1-CE1 3.44Å; E211-Y248 PolarHBondContact OE1-OH 3.11Å
212	G	92	Very high	89.9	Confident	14 Å²	14	62.7 Å²	62.7	14%	0.144	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	177.5	-175.7	-175.5	0	0	0	0	0	113.7	L222 V223	G212-L222 WeakPolarHBondContact O-CA 3.29Å; G212-V223 PolarHBondContact O-N 3.12Å
213	V	90.4	Very high	90.2	Very high	14 Å²	14	63.6 Å²	63.6	9%	0.085	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	127.7	178.4	-175.9	0	0	0	0	108.9	Y210 T220 E221 L222	Y210-V213 HydrophobicContact CE2-CG2 4.47Å; V213-T220 HydrophobicContact CG1-CG2 3.9Å; V213-E221 CarbonylContact C-O 3.51Å; V213-E221 WeakPolarHBondContact CA-O 3.44Å; V213-L222 HydrophobicContact CG2-CD2 3.87Å
214	R	89.6	Confident	90.3	Very high	137 Å²	137	61.7 Å²	61.7	52%	0.517	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	131.2	172.4	-177.3	172.8	60.5	-142.6	-1.8	109.8	T220 E221 V223	R214-T220 WeakPolarHBondContact O-CA 3.5Å; R214-E221 IonicContact CZ-OE2 3.29Å; R214-E221 PolarHBondContact N-O 3.07Å; R214-E221 IonicContact NE-OE2 3.22Å; R214-E221 IonicContact NH2-OE1 2.63Å; R214-E221 IonicContact NH2-OE2 2.97Å; R214-E221 PolarHBondContact NH2-OE2 3.24Å; R214-E221 PolarHBondContact O-N 2.66Å; R214-V223 HydrophobicContact CB-CG2 3.85Å
215	K	85.7	Confident	90.4	Very high	151 Å²	151	64.1 Å²	64.1	66%	0.657	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88	132.6	171.5	-69.9	179.6	-178.2	174.5	0	110.4	T220	K215-T220 HydrophobicContact CG-CG2 4.03Å
216	N	81.8	Confident	90.5	Very high	128 Å²	128	64.4 Å²	64.4	68%	0.684	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.2	92.5	167.6	-174.4	10.6	0	0	0	108.2	N218 R219	N216-N218 PolarHBondContact O-N 3.42Å; N216-R219 PolarHBondContact N-O 3.37Å; N216-R219 PolarHBondContact O-N 2.88Å; N216-R219 VanDerWaalsContact O-N 3.12Å
217	G	85.8	Confident	90.6	Very high	65 Å²	65	64 Å²	64	67%	0.67	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.5	-125.8	-166.6	0	0	0	0	0	111	R219	G217-R219 VanDerWaalsContact C-N 3.31Å; G217-R219 PolarHBondContact O-N 2.86Å
218	N	84.6	Confident	90.6	Very high	178 Å²	178	63.9 Å²	63.9	95%	0.952	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-3.9	179.3	-66.6	-11.4	0	0	0	114.1	N216	N216-N218 PolarHBondContact O-N 3.42Å
219	R	82.4	Confident	90.6	Very high	208 Å²	208	63.4 Å²	63.4	79%	0.785	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.6	137.9	-179.6	-69	-174.1	179.4	176	2	110.7	N216 G217	N216-R219 PolarHBondContact N-O 3.37Å; N216-R219 PolarHBondContact O-N 2.88Å; N216-R219 VanDerWaalsContact O-N 3.12Å; G217-R219 VanDerWaalsContact C-N 3.31Å; G217-R219 PolarHBondContact O-N 2.86Å
220	T	85.6	Confident	90.6	Very high	91 Å²	91	63.4 Å²	63.4	56%	0.558	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100	140.1	171.6	46.5	0	0	0	0	110.1	V213 R214 K215	V213-T220 HydrophobicContact CG1-CG2 3.9Å; R214-T220 WeakPolarHBondContact O-CA 3.5Å; K215-T220 HydrophobicContact CG-CG2 4.03Å
221	E	88.1	Confident	90.4	Very high	97 Å²	97	65.7 Å²	65.7	45%	0.453	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	134.3	173.8	-174.6	179.3	-162.6	0	0	109.2	V213 R214	V213-E221 CarbonylContact C-O 3.51Å; V213-E221 WeakPolarHBondContact CA-O 3.44Å; R214-E221 IonicContact CZ-OE2 3.29Å; R214-E221 PolarHBondContact N-O 3.07Å; R214-E221 IonicContact NE-OE2 3.22Å; R214-E221 IonicContact NH2-OE1 2.63Å; R214-E221 IonicContact NH2-OE2 2.97Å; R214-E221 PolarHBondContact NH2-OE2 3.24Å; R214-E221 PolarHBondContact O-N 2.66Å
222	L	91.7	Very high	90.3	Very high	26 Å²	26	65.1 Å²	65.1	14%	0.136	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	130.1	175.1	-58.8	-178.1	0	0	0	110	Y210 G212 V213 L225 T372	Y210-L222 HydrophobicContact CD1-CD1 3.98Å; Y210-L222 HydrophobicContact CD2-CB 4.44Å; Y210-L222 HydrophobicContact CD2-CD1 4.47Å; Y210-L222 HydrophobicContact CD2-CD2 3.81Å; Y210-L222 HydrophobicContact CD2-CG 4.46Å; Y210-L222 HydrophobicContact CE1-CD1 4.25Å; Y210-L222 HydrophobicContact CE2-CD2 3.8Å; Y210-L222 HydrophobicContact CG-CB 4.31Å; Y210-L222 HydrophobicContact CG-CD1 4.09Å; Y210-L222 HydrophobicContact CG-CD2 4.26Å; Y210-L222 HydrophobicContact CG-CG 4.45Å; G212-L222 WeakPolarHBondContact O-CA 3.29Å; V213-L222 HydrophobicContact CG2-CD2 3.87Å; L222-L225 HydrophobicContact CB-CB 4.03Å; L222-L225 HydrophobicContact CB-CD1 4.46Å; L222-L225 HydrophobicContact CB-CD2 4.41Å; L222-L225 HydrophobicContact CD1-CD1 3.84Å; L222-L225 HydrophobicContact CD1-CD2 4.29Å; L222-T372 HydrophobicContact CD2-CG2 4.21Å
223	V	91.9	Very high	90.3	Very high	48 Å²	48	68.5 Å²	68.5	29%	0.291	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	138.9	177.3	178.7	0	0	0	0	108.9	Y210 E211 G212 R214 L225	Y210-V223 WeakPolarHBondContact CB-O 3.43Å; E211-V223 PolarHBondContact N-O 3.23Å; G212-V223 PolarHBondContact O-N 3.12Å; R214-V223 HydrophobicContact CB-CG2 3.85Å; V223-L225 PolarHBondContact O-N 3.17Å
224	G	91.8	Very high	90.4	Very high	33 Å²	33	76.5 Å²	76.5	34%	0.34	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.7	19.6	-179.3	0	0	0	0	0	114.5	R226	G224-R226 PolarHBondContact O-N 3.39Å
225	L	93.9	Very high	90.6	Very high	52 Å²	52	71.8 Å²	71.8	27%	0.272	37%	0.373	S	S	.	.			trans	-62	121.9	-174.4	179.2	63.7	0	0	0	112.6	Q208 V209 L222 V223	Q208-L225 HydrophobicContact CB-CD1 4.02Å; V209-L225 CarbonylContact O-C 3.55Å; V209-L225 WeakPolarHBondContact O-CA 3.44Å; L222-L225 HydrophobicContact CB-CB 4.03Å; L222-L225 HydrophobicContact CB-CD1 4.46Å; L222-L225 HydrophobicContact CB-CD2 4.41Å; L222-L225 HydrophobicContact CD1-CD1 3.84Å; L222-L225 HydrophobicContact CD1-CD2 4.29Å; V223-L225 PolarHBondContact O-N 3.17Å
226	R	95	Very high	91.1	Very high	25 Å²	25	64.6 Å²	64.6	9%	0.094	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	126.4	165.5	-169.8	68.8	176	-164	-1.7	110.2	E166 F169 Q208 V209 G224 F228 Y243	E166-R226 IonicContact OE1-NH2 2.74Å; E166-R226 IonicContact OE2-CZ 2.88Å; E166-R226 IonicContact OE2-NH2 3.28Å; E166-R226 PolarHBondContact OE2-NH2 3.12Å; F169-R226 VanDerWaalsContact CD1-NH2 3.3Å; Q208-R226 CarbonylContact C-O 3.57Å; Q208-R226 WeakPolarHBondContact CA-O 3.41Å; V209-R226 PolarHBondContact N-O 3.23Å; V209-R226 PolarHBondContact O-N 2.85Å; G224-R226 PolarHBondContact O-N 3.39Å; R226-F228 HydrophobicContact CB-CE2 4.15Å; R226-F228 HydrophobicContact CB-CZ 4.29Å; R226-F228 HydrophobicContact CG-CE1 4.08Å; R226-F228 HydrophobicContact CG-CE2 3.65Å; R226-F228 HydrophobicContact CG-CZ 3.37Å; R226-Y243 HydrophobicContact CB-CE1 3.9Å; R226-Y243 HydrophobicContact CG-CD1 4.45Å; R226-Y243 HydrophobicContact CG-CE1 3.93Å; R226-Y243 HydrophobicContact CG-CE2 4.25Å
227	C	95.6	Very high	91.7	Very high	3 Å²	3	59.7 Å²	59.7	2%	0.02	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	147.3	176.2	-62.4	0	0	0	0	111.5	T404 K407 N408	C227-T404 WeakPolarHBondContact O-CG2 3.4Å; C227-K407 HydrophobicContact CB-CG 4.08Å; C227-K407 VanDerWaalsContact SG-CG 3.59Å; C227-N408 PolarHBondContact N-OD1 2.91Å; C227-N408 PolarHBondContact O-ND2 3.45Å; C227-N408 PolarHBondContact O-OD1 3.09Å
228	F	95.6	Very high	92.1	Very high	2 Å²	2	59.6 Å²	59.6	1%	0.009	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	140.1	174.3	-53.4	-86.8	0	0	0	108.9	R206 L207 V209 R226 L236 M239 A240 Y243	R206-F228 VanDerWaalsContact CA-O 3.27Å; R206-F228 WeakPolarHBondContact CA-O 3.48Å; L207-F228 HydrophobicContact CB-CB 4.34Å; L207-F228 HydrophobicContact CB-CD2 4.37Å; L207-F228 PolarHBondContact N-O 3.43Å; L207-F228 PolarHBondContact O-N 3.13Å; L207-F228 VanDerWaalsContact O-O 3.1Å; V209-F228 HydrophobicContact CG2-CE2 3.94Å; R226-F228 HydrophobicContact CB-CE2 4.15Å; R226-F228 HydrophobicContact CB-CZ 4.29Å; R226-F228 HydrophobicContact CG-CE1 4.08Å; R226-F228 HydrophobicContact CG-CE2 3.65Å; R226-F228 HydrophobicContact CG-CZ 3.37Å; F228-L236 VanDerWaalsContact C-CD1 3.48Å; F228-L236 HydrophobicContact CB-CD1 3.41Å; F228-L236 VanDerWaalsContact CB-CD1 3.41Å; F228-M239 HydrophobicContact CB-CE 4.13Å; F228-M239 HydrophobicContact CD1-CE 3.72Å; F228-M239 HydrophobicContact CD1-CG 4.15Å; F228-M239 HydrophobicContact CD1-SD 4.23Å; F228-M239 HydrophobicContact CE1-CG 4.3Å; F228-M239 HydrophobicContact CG-CE 4.4Å; F228-A240 HydrophobicContact CD2-CB 4.32Å; F228-A240 HydrophobicContact CE2-CB 4.49Å; F228-Y243 HydrophobicContact CE1-CG 4.27Å; F228-Y243 AromaticContact CE2-CD1 3.99Å; F228-Y243 HydrophobicContact CE2-CD1 3.99Å; F228-Y243 HydrophobicContact CE2-CE1 4.42Å; F228-Y243 AromaticContact CZ-CD1 3.44Å; F228-Y243 HydrophobicContact CZ-CD1 3.44Å; F228-Y243 VanDerWaalsContact CZ-CD1 3.44Å; F228-Y243 HydrophobicContact CZ-CD2 4.33Å; F228-Y243 HydrophobicContact CZ-CE1 4.05Å; F228-Y243 AromaticContact CZ-CG 3.56Å; F228-Y243 HydrophobicContact CZ-CG 3.56Å
229	A	95.3	Very high	92.6	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	142.7	170.9	0	0	0	0	0	110.9	V204 H205 R206 Y380 V400 T404	V204-A229 HydrophobicContact CG1-CB 4.36Å; H205-A229 CarbonylContact O-C 3.6Å; H205-A229 WeakPolarHBondContact O-CA 3.41Å; R206-A229 HydrophobicContact CB-CB 4.42Å; R206-A229 HydrophobicContact CG-CB 3.8Å; A229-Y380 HydrophobicContact CB-CE1 4.01Å; A229-V400 HydrophobicContact CB-CG1 3.36Å; A229-T404 WeakPolarHBondContact CB-OG1 3.37Å
230	S	94.9	Very high	93.2	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	158.1	175.6	-175.1	0	0	0	0	110.2	H205 S232 E235	H205-S230 PolarHBondContact N-O 3.21Å; H205-S230 PolarHBondContact O-N 3.45Å; S230-S232 PolarHBondContact OG-N 2.66Å; S230-E235 PolarHBondContact OG-OE2 3.48Å
231	T	92.8	Very high	93.7	Very high	48 Å²	48	38.6 Å²	38.6	29%	0.294	21%	0.21	S	C	.	.	S	Bend	trans	-78.1	-9.2	165.9	50	0	0	0	0	112.1	V204 M396 E397	V204-T231 HydrophobicContact CG2-CG2 4.21Å; T231-M396 HydrophobicContact CG2-CG 4.09Å; T231-M396 HydrophobicContact CG2-SD 4.08Å; T231-E397 HydrophobicContact CG2-CB 4.34Å
232	S	92.9	Very high	94	Very high	48 Å²	48	36 Å²	36	34%	0.336	20%	0.203	S	C	.	.			trans	-110.3	110.1	172.5	172.5	0	0	0	0	110	S230 K234 E235 L236	S230-S232 PolarHBondContact OG-N 2.66Å; S232-K234 VanDerWaalsContact C-N 3.32Å; S232-K234 PolarHBondContact O-N 3.43Å; S232-E235 PolarHBondContact O-N 3.32Å; S232-E235 WeakPolarHBondContact OG-CB 3.43Å; S232-E235 PolarHBondContact OG-N 3.17Å; S232-L236 WeakPolarHBondContact O-CB 3.3Å; S232-L236 PolarHBondContact O-N 3.34Å
233	R	91.5	Very high	94.2	Very high	84 Å²	84	35.6 Å²	35.6	32%	0.317	20%	0.2	S	C	.	.	H	α-helix	trans	-57.2	-44.5	175.1	-172.5	179.1	62.2	-163.1	-3.2	112.2	H205 E235 L236 F237 S263	H205-R233 HydrophobicContact CB-CB 4.45Å; H205-R233 PolarHBondContact CD2-N 3.18Å; R233-E235 VanDerWaalsContact C-N 3.34Å; R233-E235 PolarHBondContact O-N 3.38Å; R233-L236 WeakPolarHBondContact O-CB 3.39Å; R233-L236 PolarHBondContact O-N 3.3Å; R233-L236 VanDerWaalsContact O-N 3.16Å; R233-F237 HydrophobicContact CG-CD2 3.81Å; R233-F237 HydrophobicContact CG-CE2 3.81Å; R233-F237 WeakPolarHBondContact O-CD2 3.31Å; R233-F237 PolarHBondContact O-N 2.82Å; R233-S263 PolarHBondContact NH1-O 2.64Å; R233-S263 PolarHBondContact NH1-OG 3.22Å
234	K	92.5	Very high	94.3	Very high	183 Å²	183	33.3 Å²	33.3	80%	0.796	19%	0.186	S	C	*	.	H	α-helix	trans	-59.9	-44.2	179	-177.6	177.3	178.8	176.4	0	111.9	S232 L236 A238	S232-K234 VanDerWaalsContact C-N 3.32Å; S232-K234 PolarHBondContact O-N 3.43Å; K234-L236 VanDerWaalsContact C-N 3.32Å; K234-A238 WeakPolarHBondContact O-CB 3.45Å; K234-A238 PolarHBondContact O-N 2.9Å; K234-A238 VanDerWaalsContact O-N 3.16Å
235	E	93.5	Very high	94.4	Very high	38 Å²	38	36 Å²	36	18%	0.178	19%	0.19	C	C	.	.	H	α-helix	trans	-65.3	-38.5	177	-174.7	-179.3	-138.7	0	0	111.4	K163 K167 S230 S232 R233 M239	K163-E235 WeakPolarHBondContact CE-OE1 3.34Å; K163-E235 IonicContact NZ-OE1 2.98Å; K163-E235 PolarHBondContact NZ-OE1 2.93Å; K163-E235 IonicContact NZ-OE2 3.31Å; K163-E235 PolarHBondContact NZ-OE2 3.48Å; K167-E235 WeakPolarHBondContact CE-OE1 3.21Å; K167-E235 IonicContact NZ-OE1 2.71Å; K167-E235 PolarHBondContact NZ-OE1 3.11Å; S230-E235 PolarHBondContact OG-OE2 3.48Å; S232-E235 PolarHBondContact O-N 3.32Å; S232-E235 WeakPolarHBondContact OG-CB 3.43Å; S232-E235 PolarHBondContact OG-N 3.17Å; R233-E235 VanDerWaalsContact C-N 3.34Å; R233-E235 PolarHBondContact O-N 3.38Å; E235-M239 VanDerWaalsContact O-CB 3.32Å; E235-M239 WeakPolarHBondContact O-CB 3.29Å; E235-M239 PolarHBondContact O-N 3.15Å
236	L	95.1	Very high	94.4	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-62.2	-53	179	-178.7	70.2	0	0	0	112.4	H205 L207 F228 S232 R233 K234 M239 A240	H205-L236 HydrophobicContact CB-CD2 3.48Å; H205-L236 VanDerWaalsContact CB-CD2 3.48Å; H205-L236 WeakPolarHBondContact O-CD2 3.32Å; L207-L236 HydrophobicContact CD1-CD2 4.3Å; L207-L236 HydrophobicContact CD1-CG 4.06Å; L207-L236 HydrophobicContact CG-CD2 4.01Å; L207-L236 HydrophobicContact CG-CG 4.22Å; F228-L236 VanDerWaalsContact C-CD1 3.48Å; F228-L236 HydrophobicContact CB-CD1 3.41Å; F228-L236 VanDerWaalsContact CB-CD1 3.41Å; S232-L236 WeakPolarHBondContact O-CB 3.3Å; S232-L236 PolarHBondContact O-N 3.34Å; R233-L236 WeakPolarHBondContact O-CB 3.39Å; R233-L236 PolarHBondContact O-N 3.3Å; R233-L236 VanDerWaalsContact O-N 3.16Å; K234-L236 VanDerWaalsContact C-N 3.32Å; L236-M239 HydrophobicContact CD1-CE 4.33Å; L236-M239 PolarHBondContact O-N 3.36Å; L236-A240 PolarHBondContact O-N 3.07Å
237	F	94.8	Very high	94.3	Very high	25 Å²	25	34.6 Å²	34.6	11%	0.11	18%	0.183	C	C	.	.	H	α-helix	trans	-65.4	-41.5	-178.7	-86.6	-100.9	0	0	0	111.7	L207 R233 M239 A240 A241 G264 Y265 D269 M273	L207-F237 HydrophobicContact CD1-CD1 4.24Å; L207-F237 HydrophobicContact CD1-CD2 4.18Å; L207-F237 HydrophobicContact CD1-CE1 4.31Å; L207-F237 HydrophobicContact CD1-CE2 4.25Å; L207-F237 HydrophobicContact CD1-CG 4.19Å; L207-F237 HydrophobicContact CD1-CZ 4.32Å; L207-F237 HydrophobicContact CD2-CZ 4.18Å; R233-F237 HydrophobicContact CG-CD2 3.81Å; R233-F237 HydrophobicContact CG-CE2 3.81Å; R233-F237 WeakPolarHBondContact O-CD2 3.31Å; R233-F237 PolarHBondContact O-N 2.82Å; F237-M239 VanDerWaalsContact C-N 3.3Å; F237-M239 PolarHBondContact O-N 3.27Å; F237-A240 PolarHBondContact O-N 2.91Å; F237-A241 WeakPolarHBondContact O-CB 3.39Å; F237-A241 PolarHBondContact O-N 2.87Å; F237-G264 WeakPolarHBondContact CE2-O 3.34Å; F237-G264 WeakPolarHBondContact CZ-O 3.35Å; F237-Y265 HydrophobicContact CE2-CD1 4.25Å; F237-Y265 AromaticContact CE2-CE1 4Å; F237-Y265 HydrophobicContact CE2-CE1 4Å; F237-Y265 AromaticContact CZ-CD1 3.92Å; F237-Y265 HydrophobicContact CZ-CD1 3.92Å; F237-Y265 HydrophobicContact CZ-CE1 4.08Å; F237-D269 HydrophobicContact CE1-CB 3.85Å; F237-D269 HydrophobicContact CZ-CB 4.2Å; F237-M273 HydrophobicContact CD1-CE 4.4Å; F237-M273 HydrophobicContact CD1-SD 3.96Å; F237-M273 HydrophobicContact CE1-CE 4.28Å; F237-M273 HydrophobicContact CE1-SD 4.4Å
238	A	94.1	Very high	94.2	Very high	63 Å²	63	34.8 Å²	34.8	52%	0.521	18%	0.184	S	C	.	.	H	α-helix	trans	-60.3	-40.3	175.3	0	0	0	0	0	112.2	K234 S242	K234-A238 WeakPolarHBondContact O-CB 3.45Å; K234-A238 PolarHBondContact O-N 2.9Å; K234-A238 VanDerWaalsContact O-N 3.16Å; A238-S242 VanDerWaalsContact O-CB 3.32Å; A238-S242 WeakPolarHBondContact O-CB 3.35Å; A238-S242 PolarHBondContact O-N 3.29Å
239	M	94.8	Very high	94.2	Very high	14 Å²	14	37.8 Å²	37.8	7%	0.069	20%	0.2	C	C	.	.	H	α-helix	trans	-69.5	-39.7	176.8	-177	177	51.2	0	0	112.1	V170 F228 E235 L236 F237 Y243 W401	V170-M239 HydrophobicContact CB-CG 4.38Å; V170-M239 HydrophobicContact CG1-CG 4.39Å; V170-M239 WeakPolarHBondContact CG1-O 3.28Å; V170-M239 HydrophobicContact CG2-CG 3.9Å; F228-M239 HydrophobicContact CB-CE 4.13Å; F228-M239 HydrophobicContact CD1-CE 3.72Å; F228-M239 HydrophobicContact CD1-CG 4.15Å; F228-M239 HydrophobicContact CD1-SD 4.23Å; F228-M239 HydrophobicContact CE1-CG 4.3Å; F228-M239 HydrophobicContact CG-CE 4.4Å; E235-M239 VanDerWaalsContact O-CB 3.32Å; E235-M239 WeakPolarHBondContact O-CB 3.29Å; E235-M239 PolarHBondContact O-N 3.15Å; L236-M239 HydrophobicContact CD1-CE 4.33Å; L236-M239 PolarHBondContact O-N 3.36Å; F237-M239 VanDerWaalsContact C-N 3.3Å; F237-M239 PolarHBondContact O-N 3.27Å; M239-Y243 WeakPolarHBondContact O-CB 3.47Å; M239-Y243 PolarHBondContact O-N 3.24Å; M239-W401 HydrophobicContact CE-CH2 3.53Å; M239-W401 HydrophobicContact CE-CZ3 4.06Å; M239-W401 HydrophobicContact SD-CH2 3.66Å; M239-W401 HydrophobicContact SD-CZ3 4.1Å
240	A	95.7	Very high	94.2	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-66.5	-44.6	176.4	0	0	0	0	0	111.8	L207 F228 L236 F237 Y243 L244 M273	L207-A240 HydrophobicContact CD1-CB 3.56Å; F228-A240 HydrophobicContact CD2-CB 4.32Å; F228-A240 HydrophobicContact CE2-CB 4.49Å; L236-A240 PolarHBondContact O-N 3.07Å; F237-A240 PolarHBondContact O-N 2.91Å; A240-Y243 WeakPolarHBondContact O-CB 3.44Å; A240-Y243 PolarHBondContact O-N 3.25Å; A240-L244 VanDerWaalsContact O-CG 3.3Å; A240-L244 WeakPolarHBondContact O-CG 3.17Å; A240-L244 PolarHBondContact O-N 2.94Å; A240-M273 HydrophobicContact CB-SD 3.61Å
241	A	95.4	Very high	94.2	Very high	21 Å²	21	41 Å²	41	17%	0.174	22%	0.222	C	C	.	.	H	α-helix	trans	-58.4	-49.9	174.8	0	0	0	0	0	111.4	F237 Y243 L244 H245 M273	F237-A241 WeakPolarHBondContact O-CB 3.39Å; F237-A241 PolarHBondContact O-N 2.87Å; A241-Y243 VanDerWaalsContact C-N 3.28Å; A241-Y243 PolarHBondContact O-N 3.29Å; A241-L244 PolarHBondContact O-N 3.22Å; A241-L244 VanDerWaalsContact O-N 3.13Å; A241-H245 PolarHBondContact O-CD2 2.71Å; A241-H245 PolarHBondContact O-N 2.94Å; A241-M273 HydrophobicContact CB-CG 3.95Å
242	S	94.9	Very high	94.3	Very high	44 Å²	44	45.2 Å²	45.2	31%	0.308	24%	0.236	S	C	.	.	H	α-helix	trans	-62.4	-35.9	179.3	-174.6	0	0	0	0	112.2	V170 A238 G246	V170-S242 VanDerWaalsContact CG1-OG 3.26Å; V170-S242 WeakPolarHBondContact CG1-OG 3.35Å; A238-S242 VanDerWaalsContact O-CB 3.32Å; A238-S242 WeakPolarHBondContact O-CB 3.35Å; A238-S242 PolarHBondContact O-N 3.29Å; S242-G246 PolarHBondContact O-N 3Å
243	Y	95.3	Very high	94.5	Very high	16 Å²	16	42.9 Å²	42.9	6%	0.063	22%	0.22	C	C	.	.	H	α-helix	trans	-64.2	-48.5	171.9	170.3	-105.5	0	0	0	111.8	F169 V209 R226 F228 M239 A240 A241 H245 G246 H247 Y248	F169-Y243 HydrophobicContact CE1-CD2 4.18Å; F169-Y243 HydrophobicContact CE1-CE2 4.19Å; V209-Y243 HydrophobicContact CG1-CE1 4.47Å; R226-Y243 HydrophobicContact CB-CE1 3.9Å; R226-Y243 HydrophobicContact CG-CD1 4.45Å; R226-Y243 HydrophobicContact CG-CE1 3.93Å; R226-Y243 HydrophobicContact CG-CE2 4.25Å; F228-Y243 HydrophobicContact CE1-CG 4.27Å; F228-Y243 AromaticContact CE2-CD1 3.99Å; F228-Y243 HydrophobicContact CE2-CD1 3.99Å; F228-Y243 HydrophobicContact CE2-CE1 4.42Å; F228-Y243 AromaticContact CZ-CD1 3.44Å; F228-Y243 HydrophobicContact CZ-CD1 3.44Å; F228-Y243 VanDerWaalsContact CZ-CD1 3.44Å; F228-Y243 HydrophobicContact CZ-CD2 4.33Å; F228-Y243 HydrophobicContact CZ-CE1 4.05Å; F228-Y243 AromaticContact CZ-CG 3.56Å; F228-Y243 HydrophobicContact CZ-CG 3.56Å; M239-Y243 WeakPolarHBondContact O-CB 3.47Å; M239-Y243 PolarHBondContact O-N 3.24Å; A240-Y243 WeakPolarHBondContact O-CB 3.44Å; A240-Y243 PolarHBondContact O-N 3.25Å; A241-Y243 VanDerWaalsContact C-N 3.28Å; A241-Y243 PolarHBondContact O-N 3.29Å; Y243-H245 PolarHBondContact O-N 2.97Å; Y243-G246 PolarHBondContact O-N 3.1Å; Y243-H247 HydrophobicContact CD2-CB 4.13Å; Y243-H247 HydrophobicContact CE2-CB 3.82Å; Y243-H247 AromaticContact CE2-CD2 3.8Å; Y243-H247 AromaticContact CE2-CG 3.75Å; Y243-H247 AromaticContact CZ-CD2 3.5Å; Y243-H247 VanDerWaalsContact CZ-CD2 3.5Å; Y243-H247 AromaticContact CZ-CG 3.91Å; Y243-H247 WeakPolarHBondContact O-CB 3.14Å; Y243-H247 PolarHBondContact O-N 3.15Å; Y243-H247 PolarHBondContact OH-CD2 3.41Å; Y243-H247 PolarHBondContact OH-NE2 3.16Å; Y243-Y248 AromaticContact CE1-CE2 3.91Å; Y243-Y248 HydrophobicContact CE1-CE2 3.91Å
244	L	95.4	Very high	94.8	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-58.1	-50.6	-178.7	-72	163.6	0	0	0	111.2	I186 V209 A240 A241 G246 H247 Y248 L250 M273 V274	I186-L244 HydrophobicContact CD1-CD1 3.71Å; I186-L244 HydrophobicContact CD1-CD2 4.29Å; V209-L244 HydrophobicContact CG1-CD2 3.8Å; V209-L244 HydrophobicContact CG2-CD2 4.19Å; A240-L244 VanDerWaalsContact O-CG 3.3Å; A240-L244 WeakPolarHBondContact O-CG 3.17Å; A240-L244 PolarHBondContact O-N 2.94Å; A241-L244 PolarHBondContact O-N 3.22Å; A241-L244 VanDerWaalsContact O-N 3.13Å; L244-G246 VanDerWaalsContact C-N 3.3Å; L244-G246 PolarHBondContact O-N 3.17Å; L244-H247 PolarHBondContact O-N 3.47Å; L244-Y248 HydrophobicContact CD2-CD2 3.91Å; L244-Y248 HydrophobicContact CD2-CE2 4.08Å; L244-Y248 WeakPolarHBondContact O-CA 3.49Å; L244-Y248 WeakPolarHBondContact O-CB 3.47Å; L244-Y248 PolarHBondContact O-N 3.07Å; L244-L250 HydrophobicContact CB-CD1 4.5Å; L244-M273 HydrophobicContact CD1-CG 3.8Å; L244-M273 HydrophobicContact CD1-SD 4.23Å; L244-V274 HydrophobicContact CD1-CG1 4Å
245	H	93.8	Very high	95	Very high	90 Å²	90	31.6 Å²	31.6	42%	0.417	18%	0.175	S	C	.	.	H	α-helix	trans	-76.2	-13.7	179.5	-61.6	-64.6	0	0	0	114.4	A241 Y243 M273 E275	A241-H245 PolarHBondContact O-CD2 2.71Å; A241-H245 PolarHBondContact O-N 2.94Å; Y243-H245 PolarHBondContact O-N 2.97Å; H245-M273 PolarHBondContact NE2-O 3.49Å; H245-E275 PolarHBondContact CE1-O 3.47Å; H245-E275 VanDerWaalsContact CE1-O 3.24Å
246	G	92.7	Very high	95.2	Very high	4 Å²	4	29.8 Å²	29.8	4%	0.041	17%	0.167	C	C	.	.	H	α-helix	trans	-90	-26.8	174.6	0	0	0	0	0	113.6	K174 D175 S242 Y243 L244	K174-G246 WeakPolarHBondContact CA-O 3.38Å; D175-G246 PolarHBondContact N-O 3.48Å; S242-G246 PolarHBondContact O-N 3Å; Y243-G246 PolarHBondContact O-N 3.1Å; L244-G246 VanDerWaalsContact C-N 3.3Å; L244-G246 PolarHBondContact O-N 3.17Å
247	H	93.6	Very high	95.3	Very high	42 Å²	42	29.8 Å²	29.8	19%	0.194	17%	0.167	C	C	.	.	H	α-helix	trans	-108.5	-32.6	-171.9	-166.6	57.4	0	0	0	113.2	D175 P178 V179 Y243 L244	D175-H247 IonicContact OD2-CE1 3.88Å; D175-H247 PolarHBondContact OD2-CE1 2.86Å; D175-H247 VanDerWaalsContact OD2-CE1 3.24Å; D175-H247 IonicContact OD2-CG 2.64Å; D175-H247 IonicContact OD2-ND1 3.59Å; D175-H247 PolarHBondContact OD2-ND1 3.41Å; P178-H247 WeakPolarHBondContact CA-O 3.27Å; V179-H247 PolarHBondContact N-O 3.12Å; Y243-H247 HydrophobicContact CD2-CB 4.13Å; Y243-H247 HydrophobicContact CE2-CB 3.82Å; Y243-H247 AromaticContact CE2-CD2 3.8Å; Y243-H247 AromaticContact CE2-CG 3.75Å; Y243-H247 AromaticContact CZ-CD2 3.5Å; Y243-H247 VanDerWaalsContact CZ-CD2 3.5Å; Y243-H247 AromaticContact CZ-CG 3.91Å; Y243-H247 WeakPolarHBondContact O-CB 3.14Å; Y243-H247 PolarHBondContact O-N 3.15Å; Y243-H247 PolarHBondContact OH-CD2 3.41Å; Y243-H247 PolarHBondContact OH-NE2 3.16Å; L244-H247 PolarHBondContact O-N 3.47Å
248	Y	94.6	Very high	95.3	Very high	7 Å²	7	29 Å²	29	3%	0.027	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-117.7	149	-176.3	-56.7	-71.5	0	0	0	112.9	V179 P181 I184 V209 E211 Y243 L244	V179-Y248 HydrophobicContact CB-CD1 3.9Å; V179-Y248 HydrophobicContact CB-CE1 4.18Å; V179-Y248 HydrophobicContact CG1-CD1 4.48Å; V179-Y248 CarbonylContact O-C 3.58Å; V179-Y248 WeakPolarHBondContact O-CA 3.35Å; P181-Y248 HydrophobicContact CG-CD1 4Å; P181-Y248 HydrophobicContact CG-CE1 4.18Å; I184-Y248 HydrophobicContact CD1-CD1 3.8Å; I184-Y248 HydrophobicContact CD1-CD2 3.66Å; I184-Y248 HydrophobicContact CD1-CE1 4Å; I184-Y248 HydrophobicContact CD1-CE2 3.85Å; I184-Y248 HydrophobicContact CD1-CG 3.63Å; V209-Y248 HydrophobicContact CG1-CE2 4.19Å; E211-Y248 HydrophobicContact CG-CE1 4.32Å; E211-Y248 WeakPolarHBondContact OE1-CE1 3.44Å; E211-Y248 PolarHBondContact OE1-OH 3.11Å; Y243-Y248 AromaticContact CE1-CE2 3.91Å; Y243-Y248 HydrophobicContact CE1-CE2 3.91Å; L244-Y248 HydrophobicContact CD2-CD2 3.91Å; L244-Y248 HydrophobicContact CD2-CE2 4.08Å; L244-Y248 WeakPolarHBondContact O-CA 3.49Å; L244-Y248 WeakPolarHBondContact O-CB 3.47Å; L244-Y248 PolarHBondContact O-N 3.07Å
249	D	94	Very high	95.2	Very high	65 Å²	65	26.1 Å²	26.1	35%	0.348	14%	0.14	S	C	.	.			trans	-95.7	101.8	159.1	174.3	7	0	0	0	108.6	P178 V179 Q180 S251 T253	P178-D249 HydrophobicContact CB-CB 4.14Å; V179-D249 PolarHBondContact O-N 2.93Å; Q180-D249 HydrophobicContact CB-CB 4.42Å; Q180-D249 PolarHBondContact NE2-O 3.2Å; Q180-D249 PolarHBondContact NE2-OD2 3.48Å; D249-S251 VanDerWaalsContact C-N 3.29Å; D249-S251 VanDerWaalsContact CG-OG 3.32Å; D249-S251 PolarHBondContact O-N 2.94Å; D249-S251 VanDerWaalsContact OD1-CB 3.27Å; D249-S251 WeakPolarHBondContact OD1-CB 3.27Å; D249-S251 PolarHBondContact OD1-N 2.91Å; D249-S251 PolarHBondContact OD1-OG 2.89Å; D249-S251 PolarHBondContact OD2-OG 2.92Å; D249-T253 PolarHBondContact O-OG1 3.38Å
250	L	95.5	Very high	94.7	Very high	9 Å²	9	27.3 Å²	27.3	5%	0.047	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-77.1	-10.4	-175	-58.8	180	0	0	0	113.8	I184 L244 K252 T253 V274 C277 L278	I184-L250 HydrophobicContact CD1-CD2 3.92Å; L244-L250 HydrophobicContact CB-CD1 4.5Å; L250-K252 PolarHBondContact O-N 2.96Å; L250-T253 HydrophobicContact CD2-CG2 4.46Å; L250-T253 WeakPolarHBondContact O-CB 3.39Å; L250-T253 PolarHBondContact O-N 3.17Å; L250-V274 HydrophobicContact CD1-CB 4.47Å; L250-C277 HydrophobicContact CB-CB 3.99Å; L250-C277 VanDerWaalsContact O-CA 3.22Å; L250-C277 WeakPolarHBondContact O-CA 3.1Å; L250-L278 PolarHBondContact O-N 2.94Å
251	S	95.7	Very high	94.2	Very high	59 Å²	59	28.4 Å²	28.4	41%	0.413	16%	0.158	S	C	.	.	G	3₁₀ helix	trans	-57.8	-20.7	-169	60.8	0	0	0	0	115.4	Q180 D249 G276	Q180-S251 PolarHBondContact NE2-OG 3.49Å; D249-S251 VanDerWaalsContact C-N 3.29Å; D249-S251 VanDerWaalsContact CG-OG 3.32Å; D249-S251 PolarHBondContact O-N 2.94Å; D249-S251 VanDerWaalsContact OD1-CB 3.27Å; D249-S251 WeakPolarHBondContact OD1-CB 3.27Å; D249-S251 PolarHBondContact OD1-N 2.91Å; D249-S251 PolarHBondContact OD1-OG 2.89Å; D249-S251 PolarHBondContact OD2-OG 2.92Å; S251-G276 WeakPolarHBondContact CA-O 3.22Å
252	K	95.4	Very high	93.7	Very high	136 Å²	136	28.6 Å²	28.6	59%	0.591	16%	0.162	S	C	*	.	G	3₁₀ helix	trans	-122.1	13.3	176.6	-58.2	-174.8	-173.1	169	0	113.3	Q180 L250	Q180-K252 HydrophobicContact CG-CB 4.26Å; L250-K252 PolarHBondContact O-N 2.96Å
253	T	97	Very high	93	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-103.5	129.8	-174.7	-57.7	0	0	0	0	110.1	P181 E182 I184 D249 L250 V255 L278	P181-T253 HydrophobicContact CG-CG2 4.31Å; P181-T253 WeakPolarHBondContact O-CB 3.09Å; P181-T253 WeakPolarHBondContact O-CG2 3.49Å; P181-T253 PolarHBondContact O-OG1 2.87Å; E182-T253 WeakPolarHBondContact O-CA 3.39Å; I184-T253 HydrophobicContact CB-CG2 4.18Å; I184-T253 HydrophobicContact CD1-CG2 3.98Å; I184-T253 HydrophobicContact CG1-CG2 3.82Å; D249-T253 PolarHBondContact O-OG1 3.38Å; L250-T253 HydrophobicContact CD2-CG2 4.46Å; L250-T253 WeakPolarHBondContact O-CB 3.39Å; L250-T253 PolarHBondContact O-N 3.17Å; T253-V255 HydrophobicContact CG2-CG2 4.41Å; T253-L278 PolarHBondContact O-N 3.4Å; T253-L278 VanDerWaalsContact O-N 3.08Å
254	T	97.2	Very high	92.4	Very high	28 Å²	28	30.2 Å²	30.2	17%	0.172	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	123.1	164.6	-62.3	0	0	0	0	109.3	E182 I183 I184 L256 D279 Q281	E182-T254 PolarHBondContact O-N 3.33Å; I183-T254 VanDerWaalsContact CA-O 3.29Å; I183-T254 WeakPolarHBondContact CA-O 3.25Å; I184-T254 PolarHBondContact N-O 3.15Å; T254-L256 HydrophobicContact CG2-CD2 4.05Å; T254-D279 CarbonylContact C-O 3.56Å; T254-D279 VanDerWaalsContact CA-O 3.31Å; T254-D279 WeakPolarHBondContact CA-O 3.43Å; T254-D279 HydrophobicContact CG2-CB 4.19Å; T254-Q281 HydrophobicContact CG2-CG 4.4Å
255	V	97.6	Very high	92.1	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.006	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	120.6	177.7	178.1	0	0	0	0	109.7	I184 I186 T253 V274 C277 D279 Q281	I184-V255 CarbonylContact O-C 3.56Å; I184-V255 WeakPolarHBondContact O-CA 3.36Å; I186-V255 HydrophobicContact CD1-CG1 3.76Å; I186-V255 HydrophobicContact CG1-CG1 4.12Å; T253-V255 HydrophobicContact CG2-CG2 4.41Å; V255-V274 HydrophobicContact CB-CB 4.49Å; V255-V274 HydrophobicContact CB-CG2 4.31Å; V255-V274 HydrophobicContact CG1-CB 4.25Å; V255-V274 HydrophobicContact CG1-CG1 3.87Å; V255-V274 HydrophobicContact CG1-CG2 4.16Å; V255-V274 HydrophobicContact CG2-CB 4.19Å; V255-V274 HydrophobicContact CG2-CG1 4.41Å; V255-V274 HydrophobicContact CG2-CG2 4.47Å; V255-C277 HydrophobicContact CG2-CB 3.78Å; V255-D279 PolarHBondContact N-O 3.23Å; V255-Q281 PolarHBondContact O-N 2.98Å
256	L	97.1	Very high	91.9	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	114.2	171.2	-49.3	179.1	0	0	0	108.7	I183 I184 A185 I186 T254 Q281 F283 L359 I364 T366 I368 L370	I183-L256 HydrophobicContact CG2-CD1 3.63Å; I183-L256 HydrophobicContact CG2-CG 3.77Å; I184-L256 PolarHBondContact O-N 3.19Å; A185-L256 CarbonylContact C-O 3.55Å; A185-L256 VanDerWaalsContact CA-O 3.26Å; A185-L256 WeakPolarHBondContact CA-O 3.42Å; A185-L256 HydrophobicContact CB-CB 4.45Å; I186-L256 PolarHBondContact N-O 3.4Å; T254-L256 HydrophobicContact CG2-CD2 4.05Å; L256-Q281 CarbonylContact C-O 3.56Å; L256-Q281 WeakPolarHBondContact CA-O 3.27Å; L256-Q281 HydrophobicContact CD2-CB 3.9Å; L256-Q281 HydrophobicContact CD2-CG 4.47Å; L256-F283 HydrophobicContact CB-CE2 4.41Å; L256-F283 HydrophobicContact CD2-CE2 4.09Å; L256-L359 HydrophobicContact CD1-CD1 4.49Å; L256-L359 HydrophobicContact CD1-CD2 3.73Å; L256-L359 HydrophobicContact CD2-CD2 3.87Å; L256-L359 HydrophobicContact CG-CD2 4.37Å; L256-I364 HydrophobicContact CD2-CD1 4.21Å; L256-I364 HydrophobicContact CD2-CG2 4.37Å; L256-T366 HydrophobicContact CD1-CG2 4.17Å; L256-I368 HydrophobicContact CD1-CG2 4.27Å; L256-L370 HydrophobicContact CB-CD2 4.26Å
257	S	96.2	Very high	91.9	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	141.8	175.7	64.4	0	0	0	0	111.8	I186 H280 Q281 H282 F283	I186-S257 CarbonylContact O-C 3.59Å; I186-S257 VanDerWaalsContact O-CA 3.23Å; I186-S257 WeakPolarHBondContact O-CA 3.48Å; S257-H280 PolarHBondContact OG-NE2 3.15Å; S257-Q281 PolarHBondContact N-O 3.21Å; S257-H282 CarbonylContact O-C 3.39Å; S257-H282 WeakPolarHBondContact O-CA 3.37Å; S257-H282 WeakPolarHBondContact OG-CA 3.31Å; S257-H282 WeakPolarHBondContact OG-CB 3.31Å; S257-H282 PolarHBondContact OG-ND1 3.13Å; S257-F283 PolarHBondContact O-N 3.09Å
258	N	94.4	Very high	91.8	Very high	10 Å²	10	37.2 Å²	37.2	5%	0.053	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	134.3	177.8	-171.1	-89.2	0	0	0	110.8	I186 E187 G188 F283 L370	I186-N258 PolarHBondContact O-N 3.24Å; E187-N258 WeakPolarHBondContact CA-O 3.33Å; E187-N258 HydrophobicContact CG-CB 4.08Å; G188-N258 PolarHBondContact N-O 2.87Å; N258-F283 WeakPolarHBondContact CA-O 3.47Å; N258-F283 PolarHBondContact ND2-O 3.08Å; N258-L370 HydrophobicContact CB-CB 4.44Å; N258-L370 HydrophobicContact CB-CD1 4.38Å; N258-L370 HydrophobicContact CB-CD2 4.33Å
259	G	91.9	Very high	91.7	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.01	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	165.1	174.3	0	0	0	0	0	112.5	G261 F283 R284 D285	G259-G261 VanDerWaalsContact C-N 3.28Å; G259-G261 PolarHBondContact O-N 3.24Å; G259-F283 PolarHBondContact N-O 3.17Å; G259-R284 WeakPolarHBondContact O-CD 3.38Å; G259-R284 PolarHBondContact O-NH1 3.35Å; G259-D285 PolarHBondContact O-N 2.93Å
260	D	86.1	Confident	91.8	Very high	40 Å²	40	36.1 Å²	36.1	21%	0.214	20%	0.202	C	C	.	.			trans	-75.1	-13.6	-178.5	72.1	-14.3	0	0	0	114	G262 R284	D260-G262 VanDerWaalsContact C-N 3.26Å; D260-G262 PolarHBondContact OD1-N 2.8Å; D260-R284 VanDerWaalsContact C-CD 3.49Å; D260-R284 WeakPolarHBondContact O-CD 3.31Å
261	G	85.1	Confident	91.7	Very high	22 Å²	22	40.1 Å²	40.1	23%	0.227	22%	0.221	C	C	.	.			trans	79.7	9.9	-178	0	0	0	0	0	113.9	G259	G259-G261 VanDerWaalsContact C-N 3.28Å; G259-G261 PolarHBondContact O-N 3.24Å
262	G	84	Confident	91.6	Very high	26 Å²	26	44.8 Å²	44.8	27%	0.268	24%	0.236	S	C	.	.			trans	-60.2	171.9	167.6	0	0	0	0	0	111.5	D260 G264 Y265	D260-G262 VanDerWaalsContact C-N 3.26Å; D260-G262 PolarHBondContact OD1-N 2.8Å; G262-G264 PolarHBondContact O-N 2.82Å; G262-G264 VanDerWaalsContact O-N 3.09Å; G262-Y265 PolarHBondContact O-N 3.26Å
263	S	80.9	Confident	91.6	Very high	89 Å²	89	38.6 Å²	38.6	62%	0.622	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.8	122.9	178.2	-176.9	0	0	0	0	110	R233 Y265	R233-S263 PolarHBondContact NH1-O 2.64Å; R233-S263 PolarHBondContact NH1-OG 3.22Å; S263-Y265 VanDerWaalsContact C-N 3.32Å
264	G	81.9	Confident	91.6	Very high	5 Å²	5	38.7 Å²	38.7	5%	0.052	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.9	11.7	177.2	0	0	0	0	0	115.8	F237 G262 D269	F237-G264 WeakPolarHBondContact CE2-O 3.34Å; F237-G264 WeakPolarHBondContact CZ-O 3.35Å; G262-G264 PolarHBondContact O-N 2.82Å; G262-G264 VanDerWaalsContact O-N 3.09Å; G264-D269 VanDerWaalsContact C-CG 3.43Å; G264-D269 VanDerWaalsContact CA-CG 3.47Å; G264-D269 WeakPolarHBondContact CA-OD2 3.27Å
265	Y	89.5	Confident	91.5	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.008	23%	0.234	C	C	.	.			trans	-123.3	33.4	165.3	-62	-73.9	0	0	0	110.2	D189 H205 R206 L207 F237 G262 S263 D269 F270	D189-Y265 VanDerWaalsContact C-OH 3.31Å; D189-Y265 PolarHBondContact O-OH 2.86Å; H205-Y265 VanDerWaalsContact CA-OH 3.24Å; H205-Y265 WeakPolarHBondContact CA-OH 3.43Å; H205-Y265 WeakPolarHBondContact CB-OH 3.4Å; R206-Y265 PolarHBondContact N-OH 2.88Å; L207-Y265 HydrophobicContact CD2-CE1 4.35Å; F237-Y265 HydrophobicContact CE2-CD1 4.25Å; F237-Y265 AromaticContact CE2-CE1 4Å; F237-Y265 HydrophobicContact CE2-CE1 4Å; F237-Y265 AromaticContact CZ-CD1 3.92Å; F237-Y265 HydrophobicContact CZ-CD1 3.92Å; F237-Y265 HydrophobicContact CZ-CE1 4.08Å; G262-Y265 PolarHBondContact O-N 3.26Å; S263-Y265 VanDerWaalsContact C-N 3.32Å; Y265-D269 PolarHBondContact N-OD2 3.24Å; Y265-F270 HydrophobicContact CD1-CE2 4.46Å; Y265-F270 HydrophobicContact CD1-CZ 4.17Å
266	Q	89.2	Confident	91.4	Very high	97 Å²	97	47.1 Å²	47.1	45%	0.453	26%	0.263	S	S	.	.	S	Bend	trans	-86.5	164.4	174.9	-59.4	-174.3	-22	0	0	109.7	Q268 D269 F270	Q266-Q268 VanDerWaalsContact C-N 3.25Å; Q266-Q268 PolarHBondContact O-N 3.31Å; Q266-D269 WeakPolarHBondContact CB-OD2 3.33Å; Q266-D269 PolarHBondContact N-OD2 2.81Å; Q266-D269 WeakPolarHBondContact O-CB 3.47Å; Q266-D269 PolarHBondContact O-N 3.46Å; Q266-F270 WeakPolarHBondContact O-CD2 3.27Å; Q266-F270 PolarHBondContact O-N 3.29Å
267	F	92.6	Very high	91.4	Very high	49 Å²	49	48.4 Å²	48.4	22%	0.215	27%	0.271	C	S	.	.	H	α-helix	trans	-46.5	-48.8	178.9	170.4	-109.5	0	0	0	112.9	D269 F270 E271 H280 H282 Y355	F267-D269 VanDerWaalsContact C-N 3.29Å; F267-D269 PolarHBondContact O-N 3.07Å; F267-F270 PolarHBondContact O-N 2.9Å; F267-F270 VanDerWaalsContact O-N 3.07Å; F267-E271 HydrophobicContact CE1-CB 4.28Å; F267-E271 HydrophobicContact CE1-CG 4.32Å; F267-E271 VanDerWaalsContact CE1-OE1 3.3Å; F267-E271 WeakPolarHBondContact CE1-OE1 3.49Å; F267-E271 WeakPolarHBondContact CE1-OE2 3.45Å; F267-E271 HydrophobicContact CE2-CB 4.48Å; F267-E271 HydrophobicContact CZ-CB 4.18Å; F267-E271 HydrophobicContact CZ-CG 4.15Å; F267-E271 VanDerWaalsContact CZ-OE1 3.28Å; F267-E271 WeakPolarHBondContact CZ-OE1 3.47Å; F267-E271 WeakPolarHBondContact O-CB 2.97Å; F267-E271 PolarHBondContact O-N 2.61Å; F267-H280 AromaticContact CD2-CE1 3.84Å; F267-H280 AromaticContact CE2-CE1 3.54Å; F267-H280 AromaticContact CE2-ND1 3.4Å; F267-H280 WeakPolarHBondContact CE2-ND1 3.3Å; F267-H282 HydrophobicContact CD2-CB 3.48Å; F267-H282 VanDerWaalsContact CD2-CB 3.48Å; F267-H282 AromaticContact CD2-CG 3.97Å; F267-H282 HydrophobicContact CE2-CB 4.1Å; F267-Y355 HydrophobicContact CB-CE1 4.1Å; F267-Y355 HydrophobicContact CD2-CE1 4.14Å; F267-Y355 HydrophobicContact CG-CE1 4.12Å
268	Q	92.5	Very high	91.4	Very high	136 Å²	136	53.8 Å²	53.8	64%	0.636	30%	0.299	S	S	*	.	H	α-helix	trans	-59.6	-35.8	-178	-65.5	174	-1.6	0	0	113.2	Q266 F270 E271 Q272	Q266-Q268 VanDerWaalsContact C-N 3.25Å; Q266-Q268 PolarHBondContact O-N 3.31Å; Q268-F270 VanDerWaalsContact C-N 3.3Å; Q268-F270 PolarHBondContact O-N 3.5Å; Q268-E271 PolarHBondContact O-N 2.87Å; Q268-Q272 PolarHBondContact O-N 2.95Å; Q268-Q272 VanDerWaalsContact O-N 3.11Å
269	D	92.1	Very high	91.5	Very high	48 Å²	48	56.1 Å²	56.1	26%	0.257	31%	0.312	S	S	.	.	H	α-helix	trans	-66.7	-35.1	178.6	-57	-71.8	0	0	0	111.4	F237 G264 Y265 Q266 F267	F237-D269 HydrophobicContact CE1-CB 3.85Å; F237-D269 HydrophobicContact CZ-CB 4.2Å; G264-D269 VanDerWaalsContact C-CG 3.43Å; G264-D269 VanDerWaalsContact CA-CG 3.47Å; G264-D269 WeakPolarHBondContact CA-OD2 3.27Å; Y265-D269 PolarHBondContact N-OD2 3.24Å; Q266-D269 WeakPolarHBondContact CB-OD2 3.33Å; Q266-D269 PolarHBondContact N-OD2 2.81Å; Q266-D269 WeakPolarHBondContact O-CB 3.47Å; Q266-D269 PolarHBondContact O-N 3.46Å; F267-D269 VanDerWaalsContact C-N 3.29Å; F267-D269 PolarHBondContact O-N 3.07Å
270	F	95.4	Very high	91.7	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-79.2	-41.2	175	-69.3	-86	0	0	0	111.9	I186 L207 Y265 Q266 F267 Q268 Q272 M273 V274 H282	I186-F270 HydrophobicContact CG2-CD1 4.31Å; I186-F270 HydrophobicContact CG2-CE1 4.08Å; L207-F270 HydrophobicContact CD2-CE1 3.99Å; L207-F270 HydrophobicContact CD2-CZ 4.41Å; Y265-F270 HydrophobicContact CD1-CE2 4.46Å; Y265-F270 HydrophobicContact CD1-CZ 4.17Å; Q266-F270 WeakPolarHBondContact O-CD2 3.27Å; Q266-F270 PolarHBondContact O-N 3.29Å; F267-F270 PolarHBondContact O-N 2.9Å; F267-F270 VanDerWaalsContact O-N 3.07Å; Q268-F270 VanDerWaalsContact C-N 3.3Å; Q268-F270 PolarHBondContact O-N 3.5Å; F270-Q272 VanDerWaalsContact C-N 3.34Å; F270-Q272 PolarHBondContact O-N 3.38Å; F270-M273 HydrophobicContact CD1-CE 3.55Å; F270-M273 HydrophobicContact CE1-CE 4.14Å; F270-M273 HydrophobicContact CG-CE 4.43Å; F270-M273 WeakPolarHBondContact O-CB 3.39Å; F270-M273 PolarHBondContact O-N 3.22Å; F270-V274 WeakPolarHBondContact O-CG2 3.35Å; F270-V274 PolarHBondContact O-N 3.14Å; F270-H282 AromaticContact CD2-CE1 3.51Å; F270-H282 AromaticContact CD2-ND1 3.73Å; F270-H282 AromaticContact CE2-CE1 3.66Å
271	E	95	Very high	92.2	Very high	93 Å²	93	57.6 Å²	57.6	44%	0.435	32%	0.317	S	S	.	.	H	α-helix	trans	-56.3	-47.6	-179.7	-176.5	176.1	-131.9	0	0	111	F267 Q268 M273 V274 E275 H280	F267-E271 HydrophobicContact CE1-CB 4.28Å; F267-E271 HydrophobicContact CE1-CG 4.32Å; F267-E271 VanDerWaalsContact CE1-OE1 3.3Å; F267-E271 WeakPolarHBondContact CE1-OE1 3.49Å; F267-E271 WeakPolarHBondContact CE1-OE2 3.45Å; F267-E271 HydrophobicContact CE2-CB 4.48Å; F267-E271 HydrophobicContact CZ-CB 4.18Å; F267-E271 HydrophobicContact CZ-CG 4.15Å; F267-E271 VanDerWaalsContact CZ-OE1 3.28Å; F267-E271 WeakPolarHBondContact CZ-OE1 3.47Å; F267-E271 WeakPolarHBondContact O-CB 2.97Å; F267-E271 PolarHBondContact O-N 2.61Å; Q268-E271 PolarHBondContact O-N 2.87Å; E271-M273 VanDerWaalsContact C-N 3.27Å; E271-M273 PolarHBondContact O-N 3.43Å; E271-V274 PolarHBondContact O-N 2.88Å; E271-E275 PolarHBondContact O-N 2.89Å; E271-H280 PolarHBondContact N-CE1 3.48Å
272	Q	93.2	Very high	92.7	Very high	157 Å²	157	56.7 Å²	56.7	73%	0.734	31%	0.307	S	S	*	.	H	α-helix	trans	-61.8	-34.8	175.4	-174.1	179.2	16.3	0	0	112.8	Q268 F270 V274	Q268-Q272 PolarHBondContact O-N 2.95Å; Q268-Q272 VanDerWaalsContact O-N 3.11Å; F270-Q272 VanDerWaalsContact C-N 3.34Å; F270-Q272 PolarHBondContact O-N 3.38Å; Q272-V274 VanDerWaalsContact C-N 3.3Å; Q272-V274 PolarHBondContact O-N 2.73Å
273	M	94.8	Very high	93.3	Very high	6 Å²	6	55.9 Å²	55.9	3%	0.03	30%	0.296	C	S	.	.	H	α-helix	trans	-73.1	-22.4	-177.2	175.4	173.7	62.2	0	0	113	I186 L207 F237 A240 A241 L244 H245 F270 E271	I186-M273 HydrophobicContact CD1-CE 4Å; I186-M273 HydrophobicContact CG2-CE 3.82Å; L207-M273 HydrophobicContact CD1-CE 4.38Å; L207-M273 HydrophobicContact CD1-SD 3.87Å; F237-M273 HydrophobicContact CD1-CE 4.4Å; F237-M273 HydrophobicContact CD1-SD 3.96Å; F237-M273 HydrophobicContact CE1-CE 4.28Å; F237-M273 HydrophobicContact CE1-SD 4.4Å; A240-M273 HydrophobicContact CB-SD 3.61Å; A241-M273 HydrophobicContact CB-CG 3.95Å; L244-M273 HydrophobicContact CD1-CG 3.8Å; L244-M273 HydrophobicContact CD1-SD 4.23Å; H245-M273 PolarHBondContact NE2-O 3.49Å; F270-M273 HydrophobicContact CD1-CE 3.55Å; F270-M273 HydrophobicContact CE1-CE 4.14Å; F270-M273 HydrophobicContact CG-CE 4.43Å; F270-M273 WeakPolarHBondContact O-CB 3.39Å; F270-M273 PolarHBondContact O-N 3.22Å; E271-M273 VanDerWaalsContact C-N 3.27Å; E271-M273 PolarHBondContact O-N 3.43Å
274	V	96.2	Very high	93.8	Very high	2 Å²	2	52.4 Å²	52.4	1%	0.012	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.2	22.6	-175	-54.8	0	0	0	0	113.6	I186 L244 L250 V255 F270 E271 Q272 G276 C277 H280	I186-V274 HydrophobicContact CD1-CG1 3.54Å; L244-V274 HydrophobicContact CD1-CG1 4Å; L250-V274 HydrophobicContact CD1-CB 4.47Å; V255-V274 HydrophobicContact CB-CB 4.49Å; V255-V274 HydrophobicContact CB-CG2 4.31Å; V255-V274 HydrophobicContact CG1-CB 4.25Å; V255-V274 HydrophobicContact CG1-CG1 3.87Å; V255-V274 HydrophobicContact CG1-CG2 4.16Å; V255-V274 HydrophobicContact CG2-CB 4.19Å; V255-V274 HydrophobicContact CG2-CG1 4.41Å; V255-V274 HydrophobicContact CG2-CG2 4.47Å; F270-V274 WeakPolarHBondContact O-CG2 3.35Å; F270-V274 PolarHBondContact O-N 3.14Å; E271-V274 PolarHBondContact O-N 2.88Å; Q272-V274 VanDerWaalsContact C-N 3.3Å; Q272-V274 PolarHBondContact O-N 2.73Å; V274-G276 PolarHBondContact O-N 2.97Å; V274-C277 WeakPolarHBondContact O-CB 3.16Å; V274-C277 PolarHBondContact O-N 2.93Å; V274-C277 VanDerWaalsContact O-N 3.14Å; V274-C277 PolarHBondContact O-SG 3.49Å; V274-C277 VanDerWaalsContact O-SG 3.4Å; V274-H280 HydrophobicContact CG2-CB 4.29Å
275	E	95.6	Very high	94.2	Very high	148 Å²	148	53.3 Å²	53.3	69%	0.692	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.3	132.8	179	-172.8	178	-175.5	0	0	112.1	H245 E271	H245-E275 PolarHBondContact CE1-O 3.47Å; H245-E275 VanDerWaalsContact CE1-O 3.24Å; E271-E275 PolarHBondContact O-N 2.89Å
276	G	95	Very high	94.3	Very high	58 Å²	58	56 Å²	56	60%	0.598	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.3	7.9	-178.3	0	0	0	0	0	115.1	S251 V274	S251-G276 WeakPolarHBondContact CA-O 3.22Å; V274-G276 PolarHBondContact O-N 2.97Å
277	C	97.1	Very high	94.2	Very high	27 Å²	27	57.8 Å²	57.8	18%	0.182	30%	0.295	C	S	.	.			trans	-69.4	160.7	166.7	71.3	0	0	0	0	112.7	L250 V255 V274	L250-C277 HydrophobicContact CB-CB 3.99Å; L250-C277 VanDerWaalsContact O-CA 3.22Å; L250-C277 WeakPolarHBondContact O-CA 3.1Å; V255-C277 HydrophobicContact CG2-CB 3.78Å; V274-C277 WeakPolarHBondContact O-CB 3.16Å; V274-C277 PolarHBondContact O-N 2.93Å; V274-C277 VanDerWaalsContact O-N 3.14Å; V274-C277 PolarHBondContact O-SG 3.49Å; V274-C277 VanDerWaalsContact O-SG 3.4Å
278	L	96.9	Very high	94	Very high	113 Å²	113	57.4 Å²	57.4	59%	0.592	29%	0.294	S	S	*	.	S	Bend	trans	-63.2	-46.4	176.9	176.9	64.5	0	0	0	112.1	L250 T253	L250-L278 PolarHBondContact O-N 2.94Å; T253-L278 PolarHBondContact O-N 3.4Å; T253-L278 VanDerWaalsContact O-N 3.08Å
279	D	96.2	Very high	94	Very high	60 Å²	60	51 Å²	51	32%	0.321	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	135.8	-178.1	177.8	41.4	0	0	0	109.6	T254 V255 Q281	T254-D279 CarbonylContact C-O 3.56Å; T254-D279 VanDerWaalsContact CA-O 3.31Å; T254-D279 WeakPolarHBondContact CA-O 3.43Å; T254-D279 HydrophobicContact CG2-CB 4.19Å; V255-D279 PolarHBondContact N-O 3.23Å; D279-Q281 PolarHBondContact OD1-NE2 3.48Å; D279-Q281 WeakPolarHBondContact OD2-CG 3.46Å; D279-Q281 PolarHBondContact OD2-NE2 3.06Å
280	H	97.2	Very high	94.2	Very high	30 Å²	30	50.6 Å²	50.6	14%	0.139	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	115.4	178.6	176.1	-143	0	0	0	110.2	S257 F267 E271 V274	S257-H280 PolarHBondContact OG-NE2 3.15Å; F267-H280 AromaticContact CD2-CE1 3.84Å; F267-H280 AromaticContact CE2-CE1 3.54Å; F267-H280 AromaticContact CE2-ND1 3.4Å; F267-H280 WeakPolarHBondContact CE2-ND1 3.3Å; E271-H280 PolarHBondContact N-CE1 3.48Å; V274-H280 HydrophobicContact CG2-CB 4.29Å
281	Q	96.3	Very high	94.1	Very high	42 Å²	42	54.7 Å²	54.7	20%	0.196	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	109.2	-179	-63.3	-68.5	-29.6	0	0	109.4	T254 V255 L256 S257 D279 F283 I364	T254-Q281 HydrophobicContact CG2-CG 4.4Å; V255-Q281 PolarHBondContact O-N 2.98Å; L256-Q281 CarbonylContact C-O 3.56Å; L256-Q281 WeakPolarHBondContact CA-O 3.27Å; L256-Q281 HydrophobicContact CD2-CB 3.9Å; L256-Q281 HydrophobicContact CD2-CG 4.47Å; S257-Q281 PolarHBondContact N-O 3.21Å; D279-Q281 PolarHBondContact OD1-NE2 3.48Å; D279-Q281 WeakPolarHBondContact OD2-CG 3.46Å; D279-Q281 PolarHBondContact OD2-NE2 3.06Å; Q281-F283 HydrophobicContact CB-CE2 3.67Å; Q281-F283 HydrophobicContact CB-CZ 4.06Å; Q281-F283 WeakPolarHBondContact O-CD2 3.4Å; Q281-F283 WeakPolarHBondContact O-CE2 3.22Å; Q281-I364 HydrophobicContact CB-CD1 4.08Å; Q281-I364 HydrophobicContact CG-CD1 3.66Å
282	H	96.2	Very high	94.1	Very high	2 Å²	2	53.6 Å²	53.6	1%	0.009	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	138.2	177.7	-174.5	74.8	0	0	0	112.6	S257 F267 F270 R284 Y355 R362	S257-H282 CarbonylContact O-C 3.39Å; S257-H282 WeakPolarHBondContact O-CA 3.37Å; S257-H282 WeakPolarHBondContact OG-CA 3.31Å; S257-H282 WeakPolarHBondContact OG-CB 3.31Å; S257-H282 PolarHBondContact OG-ND1 3.13Å; F267-H282 HydrophobicContact CD2-CB 3.48Å; F267-H282 VanDerWaalsContact CD2-CB 3.48Å; F267-H282 AromaticContact CD2-CG 3.97Å; F267-H282 HydrophobicContact CE2-CB 4.1Å; F270-H282 AromaticContact CD2-CE1 3.51Å; F270-H282 AromaticContact CD2-ND1 3.73Å; F270-H282 AromaticContact CE2-CE1 3.66Å; H282-R284 PolarHBondContact NE2-NH1 3.27Å; H282-Y355 HydrophobicContact CB-CD1 4.22Å; H282-Y355 HydrophobicContact CB-CE1 4.44Å; H282-Y355 AromaticContact CD2-CD1 3.76Å; H282-Y355 AromaticContact CD2-CG 3.95Å; H282-R362 PolarHBondContact O-NH1 3.29Å; H282-R362 PolarHBondContact O-NH2 3.45Å
283	F	95	Very high	94.3	Very high	9 Å²	9	46.2 Å²	46.2	4%	0.039	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	138.4	-178.2	-60.8	-92.3	0	0	0	110.3	L256 S257 N258 G259 Q281 Y355 P357 L359 R362 I364 L370	L256-F283 HydrophobicContact CB-CE2 4.41Å; L256-F283 HydrophobicContact CD2-CE2 4.09Å; S257-F283 PolarHBondContact O-N 3.09Å; N258-F283 WeakPolarHBondContact CA-O 3.47Å; N258-F283 PolarHBondContact ND2-O 3.08Å; G259-F283 PolarHBondContact N-O 3.17Å; Q281-F283 HydrophobicContact CB-CE2 3.67Å; Q281-F283 HydrophobicContact CB-CZ 4.06Å; Q281-F283 WeakPolarHBondContact O-CD2 3.4Å; Q281-F283 WeakPolarHBondContact O-CE2 3.22Å; F283-Y355 WeakPolarHBondContact CA-O 3.47Å; F283-P357 WeakPolarHBondContact CD1-O 3.48Å; F283-P357 VanDerWaalsContact CE1-O 3.26Å; F283-P357 WeakPolarHBondContact CE1-O 3.19Å; F283-L359 HydrophobicContact CE1-CD2 4.07Å; F283-L359 HydrophobicContact CE1-CG 4.3Å; F283-L359 HydrophobicContact CE2-CD2 3.8Å; F283-L359 HydrophobicContact CZ-CD2 3.39Å; F283-L359 HydrophobicContact CZ-CG 4.1Å; F283-R362 VanDerWaalsContact CE1-CZ 3.45Å; F283-I364 HydrophobicContact CZ-CD1 4.19Å; F283-L370 HydrophobicContact CB-CD1 3.93Å; F283-L370 HydrophobicContact CD1-CD1 4.3Å; F283-L370 HydrophobicContact CD2-CD1 3.32Å; F283-L370 HydrophobicContact CE2-CD1 3.88Å; F283-L370 HydrophobicContact CG-CD1 3.58Å
284	R	93	Very high	94.4	Very high	17 Å²	17	51 Å²	51	6%	0.064	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	135.4	166.4	-173.2	61.5	59.1	-124.8	1.7	108.4	G259 D260 H282 C286 V289 N352 Y355	G259-R284 WeakPolarHBondContact O-CD 3.38Å; G259-R284 PolarHBondContact O-NH1 3.35Å; D260-R284 VanDerWaalsContact C-CD 3.49Å; D260-R284 WeakPolarHBondContact O-CD 3.31Å; H282-R284 PolarHBondContact NE2-NH1 3.27Å; R284-C286 PolarHBondContact O-N 2.79Å; R284-C286 VanDerWaalsContact O-N 3.13Å; R284-V289 HydrophobicContact CB-CG2 4.1Å; R284-V289 HydrophobicContact CG-CG2 3.46Å; R284-V289 VanDerWaalsContact CG-CG2 3.46Å; R284-N352 PolarHBondContact NE-OD1 2.96Å; R284-N352 PolarHBondContact NH2-OD1 2.84Å; R284-Y355 PolarHBondContact N-O 3.21Å
285	D	89.9	Confident	94.4	Very high	23 Å²	23	55 Å²	55	12%	0.123	28%	0.282	C	S	.	.			trans	-55.2	119.8	174.2	-177.6	-7.4	0	0	0	110.8	G259 Y287 H288 V289	G259-D285 PolarHBondContact O-N 2.93Å; D285-Y287 VanDerWaalsContact C-N 3.25Å; D285-Y287 PolarHBondContact O-N 3.22Å; D285-Y287 WeakPolarHBondContact OD1-CB 3.5Å; D285-Y287 PolarHBondContact OD1-N 3.11Å; D285-H288 HydrophobicContact CB-CB 4.34Å; D285-H288 PolarHBondContact O-N 2.59Å; D285-H288 IonicContact OD2-CE1 3.76Å; D285-H288 PolarHBondContact OD2-CE1 3.31Å; D285-H288 IonicContact OD2-ND1 3.11Å; D285-H288 PolarHBondContact OD2-ND1 3.07Å; D285-V289 WeakPolarHBondContact O-CG2 3.41Å; D285-V289 PolarHBondContact O-N 2.62Å; D285-V289 VanDerWaalsContact O-N 3.12Å
286	C	90	Very high	94.5	Very high	59 Å²	59	50.2 Å²	50.2	40%	0.399	26%	0.257	S	S	.	.	H	α-helix	trans	-64	-32	-176.4	64.3	0	0	0	0	112.1	R284 H288 V289 H290	R284-C286 PolarHBondContact O-N 2.79Å; R284-C286 VanDerWaalsContact O-N 3.13Å; C286-H288 PolarHBondContact O-N 2.93Å; C286-V289 PolarHBondContact O-N 3.14Å; C286-H290 WeakPolarHBondContact O-CB 3.45Å; C286-H290 PolarHBondContact O-CD2 2.94Å; C286-H290 PolarHBondContact O-N 3.36Å
287	Y	87.6	Confident	94.6	Very high	134 Å²	134	47.4 Å²	47.4	53%	0.525	23%	0.229	S	C	.	.	H	α-helix	trans	-60.1	-48.3	175.8	175.1	-95	0	0	0	110.5	D285 V289 H290 E291	D285-Y287 VanDerWaalsContact C-N 3.25Å; D285-Y287 PolarHBondContact O-N 3.22Å; D285-Y287 WeakPolarHBondContact OD1-CB 3.5Å; D285-Y287 PolarHBondContact OD1-N 3.11Å; Y287-V289 PolarHBondContact O-N 3.12Å; Y287-H290 PolarHBondContact O-N 2.83Å; Y287-E291 WeakPolarHBondContact O-CB 3.1Å; Y287-E291 PolarHBondContact O-N 3.21Å
288	H	89.2	Confident	94.5	Very high	41 Å²	41	50.8 Å²	50.8	19%	0.19	25%	0.253	C	S	.	.	H	α-helix	trans	-66.7	-36.2	-179.9	-74.7	93.1	0	0	0	112.5	D285 C286 K292	D285-H288 HydrophobicContact CB-CB 4.34Å; D285-H288 PolarHBondContact O-N 2.59Å; D285-H288 IonicContact OD2-CE1 3.76Å; D285-H288 PolarHBondContact OD2-CE1 3.31Å; D285-H288 IonicContact OD2-ND1 3.11Å; D285-H288 PolarHBondContact OD2-ND1 3.07Å; C286-H288 PolarHBondContact O-N 2.93Å; H288-K292 WeakPolarHBondContact O-CB 3.24Å; H288-K292 WeakPolarHBondContact O-CG 3.3Å; H288-K292 PolarHBondContact O-N 3.24Å
289	V	93.3	Very high	94.5	Very high	3 Å²	3	48 Å²	48	2%	0.018	24%	0.236	C	C	.	.	H	α-helix	trans	-63.7	-46.8	172.9	178.5	0	0	0	0	110.3	R284 D285 C286 Y287 K292 I293 L312 Y348 L349 I356	R284-V289 HydrophobicContact CB-CG2 4.1Å; R284-V289 HydrophobicContact CG-CG2 3.46Å; R284-V289 VanDerWaalsContact CG-CG2 3.46Å; D285-V289 WeakPolarHBondContact O-CG2 3.41Å; D285-V289 PolarHBondContact O-N 2.62Å; D285-V289 VanDerWaalsContact O-N 3.12Å; C286-V289 PolarHBondContact O-N 3.14Å; Y287-V289 PolarHBondContact O-N 3.12Å; V289-K292 PolarHBondContact O-N 3.05Å; V289-I293 HydrophobicContact CG1-CD1 3.96Å; V289-I293 VanDerWaalsContact O-CG1 3.3Å; V289-I293 WeakPolarHBondContact O-CG1 3.3Å; V289-I293 PolarHBondContact O-N 2.79Å; V289-L312 HydrophobicContact CG1-CD2 3.75Å; V289-Y348 HydrophobicContact CG1-CE1 4.5Å; V289-Y348 HydrophobicContact CG2-CE1 4.35Å; V289-L349 HydrophobicContact CG1-CD2 4.21Å; V289-I356 HydrophobicContact CG2-CG1 4.28Å
290	H	94.8	Very high	94.4	Very high	39 Å²	39	45.7 Å²	45.7	18%	0.181	22%	0.224	C	C	.	.	H	α-helix	trans	-65.1	-43.8	180	-67.5	-175.1	0	0	0	112	C286 Y287 K292 I293 R294 I309 H313	C286-H290 WeakPolarHBondContact O-CB 3.45Å; C286-H290 PolarHBondContact O-CD2 2.94Å; C286-H290 PolarHBondContact O-N 3.36Å; Y287-H290 PolarHBondContact O-N 2.83Å; H290-K292 PolarHBondContact O-N 3.45Å; H290-I293 PolarHBondContact O-N 3.18Å; H290-R294 WeakPolarHBondContact O-CB 3.48Å; H290-R294 VanDerWaalsContact O-CG 3.28Å; H290-R294 WeakPolarHBondContact O-CG 3.43Å; H290-R294 PolarHBondContact O-N 3.08Å; H290-I309 HydrophobicContact CB-CD1 4.28Å; H290-H313 AromaticContact CE1-NE2 3.27Å; H290-H313 PolarHBondContact CE1-NE2 3.45Å; H290-H313 VanDerWaalsContact CE1-NE2 3.27Å; H290-H313 AromaticContact NE2-CD2 3.83Å; H290-H313 AromaticContact NE2-CE1 3.73Å; H290-H313 AromaticContact NE2-NE2 2.9Å; H290-H313 PolarHBondContact NE2-NE2 3.17Å
291	E	93.9	Very high	94.3	Very high	86 Å²	86	52.1 Å²	52.1	40%	0.402	25%	0.252	S	S	.	.	H	α-helix	trans	-57.9	-48.2	175.7	-172.6	-177.8	-166.4	0	0	110.4	Y287 I293 R294 T295	Y287-E291 WeakPolarHBondContact O-CB 3.1Å; Y287-E291 PolarHBondContact O-N 3.21Å; E291-I293 PolarHBondContact O-N 3.31Å; E291-R294 PolarHBondContact O-N 2.87Å; E291-R294 VanDerWaalsContact O-N 3.17Å; E291-T295 WeakPolarHBondContact O-CB 3.42Å; E291-T295 PolarHBondContact O-N 3.22Å; E291-T295 PolarHBondContact O-OG1 2.86Å
292	K	95.1	Very high	94.3	Very high	70 Å²	70	59.4 Å²	59.4	30%	0.304	28%	0.278	S	S	.	.	H	α-helix	trans	-60.7	-41.4	177.1	-76.4	176	-170.4	-65.1	0	113	H288 V289 H290 R296 Y348	H288-K292 WeakPolarHBondContact O-CB 3.24Å; H288-K292 WeakPolarHBondContact O-CG 3.3Å; H288-K292 PolarHBondContact O-N 3.24Å; V289-K292 PolarHBondContact O-N 3.05Å; H290-K292 PolarHBondContact O-N 3.45Å; K292-R296 VanDerWaalsContact O-CB 3.27Å; K292-R296 WeakPolarHBondContact O-CB 3.1Å; K292-R296 VanDerWaalsContact O-CG 3.25Å; K292-R296 WeakPolarHBondContact O-CG 3.34Å; K292-R296 PolarHBondContact O-N 3.36Å; K292-Y348 HydrophobicContact CB-CE1 4.35Å; K292-Y348 HydrophobicContact CD-CD1 3.95Å; K292-Y348 HydrophobicContact CD-CD2 3.81Å; K292-Y348 HydrophobicContact CD-CE1 3.57Å; K292-Y348 HydrophobicContact CD-CE2 3.41Å; K292-Y348 VanDerWaalsContact CD-CE2 3.41Å; K292-Y348 HydrophobicContact CD-CG 4.06Å
293	I	96.7	Very high	94.3	Very high	2 Å²	2	66 Å²	66	1%	0.01	31%	0.308	C	S	.	.	H	α-helix	trans	-61.8	-48.1	175.2	-65.4	164.9	0	0	0	109.8	V289 H290 E291 L297 V305 M308 I309 L312 L345 L349	V289-I293 HydrophobicContact CG1-CD1 3.96Å; V289-I293 VanDerWaalsContact O-CG1 3.3Å; V289-I293 WeakPolarHBondContact O-CG1 3.3Å; V289-I293 PolarHBondContact O-N 2.79Å; H290-I293 PolarHBondContact O-N 3.18Å; E291-I293 PolarHBondContact O-N 3.31Å; I293-L297 HydrophobicContact CG2-CD1 4.19Å; I293-L297 VanDerWaalsContact O-CB 3.31Å; I293-L297 WeakPolarHBondContact O-CB 3.47Å; I293-L297 PolarHBondContact O-N 3.42Å; I293-V305 HydrophobicContact CG2-CG1 4.15Å; I293-M308 HydrophobicContact CG2-CE 4.25Å; I293-I309 HydrophobicContact CB-CG1 4.47Å; I293-I309 HydrophobicContact CD1-CG1 4.15Å; I293-I309 HydrophobicContact CG2-CD1 4.44Å; I293-I309 HydrophobicContact CG2-CG1 4.16Å; I293-L312 HydrophobicContact CD1-CD2 4.09Å; I293-L345 HydrophobicContact CG1-CD1 3.95Å; I293-L345 HydrophobicContact CG1-CD2 4.35Å; I293-L345 HydrophobicContact CG2-CD2 4.48Å; I293-L349 HydrophobicContact CD1-CD2 4.44Å
294	R	97.4	Very high	94.2	Very high	106 Å²	106	66.5 Å²	66.5	40%	0.4	31%	0.311	S	S	.	.	H	α-helix	trans	-65.1	-41.1	-178.4	-71.1	179.1	-175	-67.1	-2.8	113.2	H290 E291 S298 V305 D306 I309	H290-R294 WeakPolarHBondContact O-CB 3.48Å; H290-R294 VanDerWaalsContact O-CG 3.28Å; H290-R294 WeakPolarHBondContact O-CG 3.43Å; H290-R294 PolarHBondContact O-N 3.08Å; E291-R294 PolarHBondContact O-N 2.87Å; E291-R294 VanDerWaalsContact O-N 3.17Å; R294-S298 WeakPolarHBondContact O-CA 3.09Å; R294-S298 PolarHBondContact O-N 3.15Å; R294-V305 HydrophobicContact CB-CG1 4.49Å; R294-V305 HydrophobicContact CG-CG1 3.83Å; R294-D306 IonicContact CZ-OD1 2.71Å; R294-D306 VanDerWaalsContact CZ-OD1 3.28Å; R294-D306 IonicContact NH1-OD1 3.93Å; R294-D306 PolarHBondContact NH1-OD1 3.34Å; R294-D306 IonicContact NH2-OD1 2.79Å; R294-D306 PolarHBondContact NH2-OD1 3.39Å; R294-I309 HydrophobicContact CG-CD1 3.91Å; R294-I309 VanDerWaalsContact CZ-CD1 3.49Å
295	T	96.4	Very high	94.4	Very high	87 Å²	87	66 Å²	66	53%	0.534	31%	0.31	S	S	.	.	H	α-helix	trans	-71.3	-47.6	-179.5	-60.5	0	0	0	0	111.1	E291 L297 S298	E291-T295 WeakPolarHBondContact O-CB 3.42Å; E291-T295 PolarHBondContact O-N 3.22Å; E291-T295 PolarHBondContact O-OG1 2.86Å; T295-L297 VanDerWaalsContact C-N 3.35Å; T295-S298 WeakPolarHBondContact O-CB 3.36Å; T295-S298 PolarHBondContact O-N 2.8Å; T295-S298 PolarHBondContact O-OG 3.36Å
296	R	97	Very high	94.7	Very high	46 Å²	46	66.7 Å²	66.7	17%	0.174	31%	0.314	C	S	.	.	H	α-helix	trans	-73.5	-28.4	-175.9	-65.5	-173.8	170.9	164.6	-12.4	113.1	K292 F299 E341 K344 L345 Y348	K292-R296 VanDerWaalsContact O-CB 3.27Å; K292-R296 WeakPolarHBondContact O-CB 3.1Å; K292-R296 VanDerWaalsContact O-CG 3.25Å; K292-R296 WeakPolarHBondContact O-CG 3.34Å; K292-R296 PolarHBondContact O-N 3.36Å; R296-F299 WeakPolarHBondContact O-CE1 3.24Å; R296-E341 HydrophobicContact CB-CB 4.27Å; R296-E341 WeakPolarHBondContact CG-OE2 3.26Å; R296-E341 WeakPolarHBondContact O-CB 3.45Å; R296-K344 VanDerWaalsContact NH1-C 3.25Å; R296-K344 PolarHBondContact NH1-O 2.93Å; R296-L345 HydrophobicContact CB-CB 4.2Å; R296-L345 HydrophobicContact CB-CD2 4.46Å; R296-Y348 VanDerWaalsContact NH1-CB 3.25Å
297	L	96.8	Very high	94.9	Very high	0 Å²	0	69.7 Å²	69.7	0%	0	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	28.1	176.3	-54.8	-175.5	0	0	0	112.3	I293 T295 F299 C300 V305 M308 A329 V342 L345	I293-L297 HydrophobicContact CG2-CD1 4.19Å; I293-L297 VanDerWaalsContact O-CB 3.31Å; I293-L297 WeakPolarHBondContact O-CB 3.47Å; I293-L297 PolarHBondContact O-N 3.42Å; T295-L297 VanDerWaalsContact C-N 3.35Å; L297-F299 HydrophobicContact CD2-CE1 4.36Å; L297-F299 HydrophobicContact CD2-CZ 4.2Å; L297-F299 PolarHBondContact O-N 3.04Å; L297-F299 VanDerWaalsContact O-N 3.16Å; L297-C300 HydrophobicContact CB-CB 4.27Å; L297-C300 WeakPolarHBondContact O-CB 3.28Å; L297-C300 PolarHBondContact O-N 2.8Å; L297-V305 HydrophobicContact CB-CG2 3.88Å; L297-M308 HydrophobicContact CD1-CE 3.41Å; L297-M308 VanDerWaalsContact CD1-CE 3.41Å; L297-M308 HydrophobicContact CD1-SD 3.55Å; L297-M308 VanDerWaalsContact CD1-SD 3.55Å; L297-A329 HydrophobicContact CD1-CB 4.3Å; L297-A329 HydrophobicContact CD2-CB 3.8Å; L297-V342 HydrophobicContact CD2-CG2 3.91Å; L297-L345 HydrophobicContact CD1-CD2 3.64Å; L297-L345 HydrophobicContact CD2-CD2 3.94Å; L297-L345 HydrophobicContact CG-CD2 3.57Å
298	S	96	Very high	95.2	Very high	98 Å²	98	63.4 Å²	63.4	69%	0.685	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-21.3	-178.6	61.4	0	0	0	0	113.4	R294 T295	R294-S298 WeakPolarHBondContact O-CA 3.09Å; R294-S298 PolarHBondContact O-N 3.15Å; T295-S298 WeakPolarHBondContact O-CB 3.36Å; T295-S298 PolarHBondContact O-N 2.8Å; T295-S298 PolarHBondContact O-OG 3.36Å
299	F	96	Very high	95.4	Very high	53 Å²	53	62 Å²	62	23%	0.232	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-17.5	175.3	64.5	-93.9	0	0	0	113.1	R296 L297 C332 A333 D338 V342	R296-F299 WeakPolarHBondContact O-CE1 3.24Å; L297-F299 HydrophobicContact CD2-CE1 4.36Å; L297-F299 HydrophobicContact CD2-CZ 4.2Å; L297-F299 PolarHBondContact O-N 3.04Å; L297-F299 VanDerWaalsContact O-N 3.16Å; F299-C332 HydrophobicContact CD2-CB 4.42Å; F299-C332 HydrophobicContact CE2-CB 4.17Å; F299-A333 HydrophobicContact CE2-CB 4.08Å; F299-A333 HydrophobicContact CZ-CB 4.47Å; F299-D338 HydrophobicContact CD1-CB 3.92Å; F299-D338 WeakPolarHBondContact CD1-OD1 3.35Å; F299-D338 HydrophobicContact CD2-CB 4.14Å; F299-D338 HydrophobicContact CE1-CB 3.75Å; F299-D338 HydrophobicContact CE2-CB 4Å; F299-D338 HydrophobicContact CG-CB 4.12Å; F299-D338 WeakPolarHBondContact CG-OD1 3.44Å; F299-D338 HydrophobicContact CZ-CB 3.81Å; F299-V342 HydrophobicContact CE1-CG2 4.33Å; F299-V342 HydrophobicContact CZ-CG2 3.63Å
300	C	95.6	Very high	95.4	Very high	12 Å²	12	68.9 Å²	68.9	8%	0.081	31%	0.312	C	S	.	.	S	Bend	trans	-76.3	160	174.8	-65.5	0	0	0	0	111.6	L297 R302 L304 V305	L297-C300 HydrophobicContact CB-CB 4.27Å; L297-C300 WeakPolarHBondContact O-CB 3.28Å; L297-C300 PolarHBondContact O-N 2.8Å; C300-R302 PolarHBondContact O-N 2.65Å; C300-L304 HydrophobicContact CB-CD2 4.17Å; C300-V305 HydrophobicContact CB-CG2 4.1Å
301	K	95	Very high	95.3	Very high	165 Å²	165	69.1 Å²	69.1	72%	0.717	31%	0.313	S	S	*	.			trans	-61.1	134.6	169.8	-68.3	-177.5	180	178.1	0	110.1	E303 L304 V305	K301-E303 PolarHBondContact O-N 3.47Å; K301-E303 VanDerWaalsContact O-N 3.1Å; K301-L304 WeakPolarHBondContact O-CB 3.28Å; K301-L304 PolarHBondContact O-N 2.81Å; K301-V305 PolarHBondContact O-N 3.01Å
302	R	95.4	Very high	95.2	Very high	196 Å²	196	65.1 Å²	65.1	74%	0.74	29%	0.294	S	S	*	.	H	α-helix	trans	-52.3	-36.7	179.7	-172.6	174.2	69.2	140.3	0.9	113.5	C300 L304 V305 D306	C300-R302 PolarHBondContact O-N 2.65Å; R302-L304 VanDerWaalsContact C-N 3.32Å; R302-L304 PolarHBondContact O-N 2.73Å; R302-V305 PolarHBondContact O-N 3.24Å; R302-D306 WeakPolarHBondContact O-CB 3.5Å; R302-D306 PolarHBondContact O-N 2.93Å
303	E	95.6	Very high	94.8	Very high	141 Å²	141	64.9 Å²	64.9	66%	0.659	29%	0.294	S	S	*	.	H	α-helix	trans	-61.2	-36.5	177.6	-66.3	172.8	178.9	0	0	113.5	K301 R307	K301-E303 PolarHBondContact O-N 3.47Å; K301-E303 VanDerWaalsContact O-N 3.1Å; E303-R307 VanDerWaalsContact O-CB 3.29Å; E303-R307 WeakPolarHBondContact O-CB 3.46Å; E303-R307 PolarHBondContact O-N 3.05Å
304	L	94.2	Very high	94.3	Very high	18 Å²	18	71.8 Å²	71.8	9%	0.094	33%	0.326	C	S	.	.	H	α-helix	trans	-67.6	-47.3	175.8	177.8	65.1	0	0	0	110.1	C300 K301 R302 D306 R307 M308 T328	C300-L304 HydrophobicContact CB-CD2 4.17Å; K301-L304 WeakPolarHBondContact O-CB 3.28Å; K301-L304 PolarHBondContact O-N 2.81Å; R302-L304 VanDerWaalsContact C-N 3.32Å; R302-L304 PolarHBondContact O-N 2.73Å; L304-D306 PolarHBondContact O-N 2.89Å; L304-R307 WeakPolarHBondContact O-CB 3.17Å; L304-R307 PolarHBondContact O-N 3.4Å; L304-M308 HydrophobicContact CG-SD 4.34Å; L304-M308 WeakPolarHBondContact O-CG 3.45Å; L304-M308 PolarHBondContact O-N 2.6Å; L304-T328 HydrophobicContact CD1-CG2 3.64Å; L304-T328 HydrophobicContact CD2-CG2 3.86Å; L304-T328 HydrophobicContact CG-CG2 4.42Å
305	V	96.3	Very high	93.8	Very high	7 Å²	7	67.7 Å²	67.7	4%	0.042	31%	0.313	C	S	.	.	H	α-helix	trans	-59.6	-46.4	178.2	176.4	0	0	0	0	111.3	I293 R294 L297 C300 K301 R302 R307 M308 I309	I293-V305 HydrophobicContact CG2-CG1 4.15Å; R294-V305 HydrophobicContact CB-CG1 4.49Å; R294-V305 HydrophobicContact CG-CG1 3.83Å; L297-V305 HydrophobicContact CB-CG2 3.88Å; C300-V305 HydrophobicContact CB-CG2 4.1Å; K301-V305 PolarHBondContact O-N 3.01Å; R302-V305 PolarHBondContact O-N 3.24Å; V305-R307 VanDerWaalsContact C-N 3.34Å; V305-R307 PolarHBondContact O-N 2.71Å; V305-M308 PolarHBondContact O-N 3.18Å; V305-I309 HydrophobicContact CG1-CD1 4.17Å; V305-I309 WeakPolarHBondContact O-CG1 3.44Å; V305-I309 PolarHBondContact O-N 2.89Å
306	D	95.8	Very high	93.2	Very high	38 Å²	38	71.3 Å²	71.3	20%	0.203	33%	0.329	C	S	.	.	H	α-helix	trans	-67	-34.6	177.8	-72.5	-26.2	0	0	0	112	R294 R302 L304 R310	R294-D306 IonicContact CZ-OD1 2.71Å; R294-D306 VanDerWaalsContact CZ-OD1 3.28Å; R294-D306 IonicContact NH1-OD1 3.93Å; R294-D306 PolarHBondContact NH1-OD1 3.34Å; R294-D306 IonicContact NH2-OD1 2.79Å; R294-D306 PolarHBondContact NH2-OD1 3.39Å; R302-D306 WeakPolarHBondContact O-CB 3.5Å; R302-D306 PolarHBondContact O-N 2.93Å; L304-D306 PolarHBondContact O-N 2.89Å; D306-R310 WeakPolarHBondContact O-CG 3.49Å; D306-R310 PolarHBondContact O-N 2.88Å
307	R	94.6	Very high	92.8	Very high	121 Å²	121	71.8 Å²	71.8	46%	0.457	34%	0.335	S	S	.	.	H	α-helix	trans	-63.4	-48.6	173.1	-173.6	-170.8	-56.2	152.8	2.8	111.1	E303 L304 V305 I309 R310 E311	E303-R307 VanDerWaalsContact O-CB 3.29Å; E303-R307 WeakPolarHBondContact O-CB 3.46Å; E303-R307 PolarHBondContact O-N 3.05Å; L304-R307 WeakPolarHBondContact O-CB 3.17Å; L304-R307 PolarHBondContact O-N 3.4Å; V305-R307 VanDerWaalsContact C-N 3.34Å; V305-R307 PolarHBondContact O-N 2.71Å; R307-I309 VanDerWaalsContact C-N 3.32Å; R307-I309 PolarHBondContact O-N 3.41Å; R307-R310 PolarHBondContact O-N 3.39Å; R307-R310 VanDerWaalsContact O-N 3.15Å; R307-E311 WeakPolarHBondContact CD-OE1 3.38Å; R307-E311 HydrophobicContact CG-CG 4.35Å; R307-E311 VanDerWaalsContact CG-OE1 3.27Å; R307-E311 WeakPolarHBondContact CG-OE1 3.18Å; R307-E311 WeakPolarHBondContact O-CG 3.25Å; R307-E311 PolarHBondContact O-N 2.72Å
308	M	94	Very high	92.6	Very high	2 Å²	2	72.5 Å²	72.5	1%	0.01	34%	0.339	C	S	.	.	H	α-helix	trans	-56.8	-45.5	176.9	-70.7	173.4	55.4	0	0	111.7	I293 L297 L304 V305 R310 E311 L312 W325 M326	I293-M308 HydrophobicContact CG2-CE 4.25Å; L297-M308 HydrophobicContact CD1-CE 3.41Å; L297-M308 VanDerWaalsContact CD1-CE 3.41Å; L297-M308 HydrophobicContact CD1-SD 3.55Å; L297-M308 VanDerWaalsContact CD1-SD 3.55Å; L304-M308 HydrophobicContact CG-SD 4.34Å; L304-M308 WeakPolarHBondContact O-CG 3.45Å; L304-M308 PolarHBondContact O-N 2.6Å; V305-M308 PolarHBondContact O-N 3.18Å; M308-R310 VanDerWaalsContact C-N 3.33Å; M308-R310 PolarHBondContact O-N 3.4Å; M308-E311 PolarHBondContact O-N 2.87Å; M308-L312 WeakPolarHBondContact O-CB 3.49Å; M308-L312 PolarHBondContact O-N 3.29Å; M308-W325 HydrophobicContact CE-CB 3.67Å; M308-W325 HydrophobicContact CE-CG 4.13Å; M308-W325 HydrophobicContact CG-CB 4.13Å; M308-W325 HydrophobicContact CG-CD2 4.4Å; M308-W325 HydrophobicContact CG-CG 3.85Å; M308-W325 HydrophobicContact SD-CB 4.08Å; M308-W325 HydrophobicContact SD-CG 4.44Å; M308-M326 HydrophobicContact CE-CE 3.58Å
309	I	94.4	Very high	92.4	Very high	13 Å²	13	72.4 Å²	72.4	7%	0.067	33%	0.329	C	S	.	.	H	α-helix	trans	-62.3	-39.1	177.8	-72.9	169.6	0	0	0	112	H290 I293 R294 V305 R307 L312 H313	H290-I309 HydrophobicContact CB-CD1 4.28Å; I293-I309 HydrophobicContact CB-CG1 4.47Å; I293-I309 HydrophobicContact CD1-CG1 4.15Å; I293-I309 HydrophobicContact CG2-CD1 4.44Å; I293-I309 HydrophobicContact CG2-CG1 4.16Å; R294-I309 HydrophobicContact CG-CD1 3.91Å; R294-I309 VanDerWaalsContact CZ-CD1 3.49Å; V305-I309 HydrophobicContact CG1-CD1 4.17Å; V305-I309 WeakPolarHBondContact O-CG1 3.44Å; V305-I309 PolarHBondContact O-N 2.89Å; R307-I309 VanDerWaalsContact C-N 3.32Å; R307-I309 PolarHBondContact O-N 3.41Å; I309-L312 WeakPolarHBondContact O-CB 3.35Å; I309-H313 PolarHBondContact O-CD2 3.18Å; I309-H313 VanDerWaalsContact O-CD2 3.28Å
310	R	92.9	Very high	92.2	Very high	146 Å²	146	77 Å²	77	55%	0.551	35%	0.349	S	S	*	.	H	α-helix	trans	-66.9	-47.7	175.3	-74.9	-173.3	-61.7	-118.8	-1.6	111.7	D306 R307 M308 L312 H313 Q314	D306-R310 WeakPolarHBondContact O-CG 3.49Å; D306-R310 PolarHBondContact O-N 2.88Å; R307-R310 PolarHBondContact O-N 3.39Å; R307-R310 VanDerWaalsContact O-N 3.15Å; M308-R310 VanDerWaalsContact C-N 3.33Å; M308-R310 PolarHBondContact O-N 3.4Å; R310-L312 VanDerWaalsContact C-N 3.28Å; R310-L312 PolarHBondContact O-N 2.98Å; R310-H313 PolarHBondContact O-N 3.46Å; R310-Q314 WeakPolarHBondContact O-CG 3.38Å
311	E	92.6	Very high	92.2	Very high	44 Å²	44	81.1 Å²	81.1	21%	0.206	36%	0.363	C	S	.	.	H	α-helix	trans	-65.7	-31.4	-178.4	-70.1	178.3	-168.7	0	0	112.5	R307 M308 H313 Q314 T315 W325	R307-E311 WeakPolarHBondContact CD-OE1 3.38Å; R307-E311 HydrophobicContact CG-CG 4.35Å; R307-E311 VanDerWaalsContact CG-OE1 3.27Å; R307-E311 WeakPolarHBondContact CG-OE1 3.18Å; R307-E311 WeakPolarHBondContact O-CG 3.25Å; R307-E311 PolarHBondContact O-N 2.72Å; M308-E311 PolarHBondContact O-N 2.87Å; E311-H313 PolarHBondContact O-N 3.49Å; E311-H313 VanDerWaalsContact O-N 3.15Å; E311-Q314 PolarHBondContact O-N 3.34Å; E311-T315 WeakPolarHBondContact O-CB 3.34Å; E311-T315 WeakPolarHBondContact O-CG2 3.46Å; E311-T315 PolarHBondContact O-N 3.24Å; E311-W325 HydrophobicContact CB-CZ2 3.64Å; E311-W325 PolarHBondContact OE2-NE1 3.2Å
312	L	91.6	Very high	92.2	Very high	2 Å²	2	73.3 Å²	73.3	1%	0.01	33%	0.328	C	S	.	.	H	α-helix	trans	-51.1	-36.7	173.8	-166.9	73.5	0	0	0	112.8	V289 I293 M308 I309 R310 I318 W325 I356 Q361	V289-L312 HydrophobicContact CG1-CD2 3.75Å; I293-L312 HydrophobicContact CD1-CD2 4.09Å; M308-L312 WeakPolarHBondContact O-CB 3.49Å; M308-L312 PolarHBondContact O-N 3.29Å; I309-L312 WeakPolarHBondContact O-CB 3.35Å; R310-L312 VanDerWaalsContact C-N 3.28Å; R310-L312 PolarHBondContact O-N 2.98Å; L312-I318 HydrophobicContact CD1-CD1 3.54Å; L312-I318 HydrophobicContact CD1-CG1 4.17Å; L312-W325 HydrophobicContact CB-CH2 4.29Å; L312-W325 HydrophobicContact CD1-CH2 3.82Å; L312-W325 HydrophobicContact CD1-CZ3 3.72Å; L312-I356 HydrophobicContact CD1-CG2 3.85Å; L312-I356 HydrophobicContact CD2-CG2 3.87Å; L312-I356 HydrophobicContact CG-CG2 3.72Å; L312-Q361 PolarHBondContact O-NE2 3.42Å
313	H	85.9	Confident	92.1	Very high	66 Å²	66	66.4 Å²	66.4	31%	0.306	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-0.3	-177.4	-64.7	-58.4	0	0	0	114	H290 I309 R310 E311	H290-H313 AromaticContact CE1-NE2 3.27Å; H290-H313 PolarHBondContact CE1-NE2 3.45Å; H290-H313 VanDerWaalsContact CE1-NE2 3.27Å; H290-H313 AromaticContact NE2-CD2 3.83Å; H290-H313 AromaticContact NE2-CE1 3.73Å; H290-H313 AromaticContact NE2-NE2 2.9Å; H290-H313 PolarHBondContact NE2-NE2 3.17Å; I309-H313 PolarHBondContact O-CD2 3.18Å; I309-H313 VanDerWaalsContact O-CD2 3.28Å; R310-H313 PolarHBondContact O-N 3.46Å; E311-H313 PolarHBondContact O-N 3.49Å; E311-H313 VanDerWaalsContact O-N 3.15Å
314	Q	87.7	Confident	92.1	Very high	146 Å²	146	63.3 Å²	63.3	68%	0.682	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.7	-14.4	-177.2	-68.2	179.5	-20.8	0	0	113	R310 E311	R310-Q314 WeakPolarHBondContact O-CG 3.38Å; E311-Q314 PolarHBondContact O-N 3.34Å
315	T	85.9	Confident	92.2	Very high	20 Å²	20	62.9 Å²	62.9	12%	0.123	30%	0.297	C	S	.	.			trans	-83	136.7	-176.4	-166.7	0	0	0	0	111.7	E311 D317 I318 R321 W325 Q361	E311-T315 WeakPolarHBondContact O-CB 3.34Å; E311-T315 WeakPolarHBondContact O-CG2 3.46Å; E311-T315 PolarHBondContact O-N 3.24Å; T315-D317 PolarHBondContact OG1-N 3.41Å; T315-D317 PolarHBondContact OG1-O 2.88Å; T315-I318 HydrophobicContact CG2-CB 4.1Å; T315-R321 HydrophobicContact CG2-CG 4.16Å; T315-R321 WeakPolarHBondContact OG1-CG 3.47Å; T315-W325 HydrophobicContact CG2-CH2 4.34Å; T315-Q361 PolarHBondContact O-NE2 3.03Å
316	D	83.4	Confident	92.2	Very high	163 Å²	163	62.6 Å²	62.6	87%	0.872	30%	0.295	S	S	*	.	S	Bend	trans	-79.9	-20.6	173.1	-58.4	-38.7	0	0	0	112.5
317	D	89.4	Confident	92.3	Very high	57 Å²	57	65.3 Å²	65.3	31%	0.305	31%	0.31	S	S	.	.			trans	-134.6	83.7	-177.5	-167.9	-24.4	0	0	0	110.6	T315 M319 K320 R321	T315-D317 PolarHBondContact OG1-N 3.41Å; T315-D317 PolarHBondContact OG1-O 2.88Å; D317-M319 PolarHBondContact O-N 3.33Å; D317-M319 PolarHBondContact OD1-N 3.44Å; D317-K320 HydrophobicContact CB-CB 4.37Å; D317-K320 HydrophobicContact CB-CD 4.36Å; D317-K320 HydrophobicContact CB-CG 4.46Å; D317-K320 PolarHBondContact O-N 3.44Å; D317-K320 PolarHBondContact OD1-N 2.86Å; D317-K320 VanDerWaalsContact OD1-N 3.12Å; D317-K320 WeakPolarHBondContact OD2-CD 3.47Å; D317-K320 WeakPolarHBondContact OD2-CE 3.32Å; D317-K320 WeakPolarHBondContact OD2-CG 2.95Å; D317-K320 IonicContact OD2-NZ 2.77Å; D317-K320 PolarHBondContact OD2-NZ 2.72Å; D317-R321 PolarHBondContact O-N 3.22Å
318	I	91.4	Very high	92.3	Very high	14 Å²	14	62.3 Å²	62.3	7%	0.072	31%	0.305	C	S	.	.	H	α-helix	trans	-59.6	-34.3	179.6	-171.4	173.6	0	0	0	112.3	L312 T315 K320 R321 I322 W325 A353 I356	L312-I318 HydrophobicContact CD1-CD1 3.54Å; L312-I318 HydrophobicContact CD1-CG1 4.17Å; T315-I318 HydrophobicContact CG2-CB 4.1Å; I318-K320 VanDerWaalsContact C-N 3.32Å; I318-K320 PolarHBondContact O-N 3.34Å; I318-R321 PolarHBondContact O-N 3.13Å; I318-R321 VanDerWaalsContact O-N 3.12Å; I318-I322 HydrophobicContact CG1-CD1 4.1Å; I318-I322 HydrophobicContact CG1-CG1 4.22Å; I318-I322 WeakPolarHBondContact O-CG1 3.29Å; I318-I322 PolarHBondContact O-N 2.9Å; I318-W325 HydrophobicContact CG1-CZ3 4.34Å; I318-A353 HydrophobicContact CG2-CB 3.93Å; I318-I356 HydrophobicContact CD1-CB 3.81Å; I318-I356 HydrophobicContact CD1-CD1 3.81Å; I318-I356 HydrophobicContact CD1-CG1 4.43Å; I318-I356 HydrophobicContact CD1-CG2 3.59Å
319	M	92.3	Very high	92.4	Very high	96 Å²	96	62.2 Å²	62.2	47%	0.473	30%	0.304	S	S	.	.	H	α-helix	trans	-66.1	-35.4	-178.3	-75.6	-60.8	-63	0	0	111.9	D317 I322 P323 E350 A353	D317-M319 PolarHBondContact O-N 3.33Å; D317-M319 PolarHBondContact OD1-N 3.44Å; M319-I322 HydrophobicContact SD-CD1 4.22Å; M319-P323 WeakPolarHBondContact O-CD 3.47Å; M319-E350 HydrophobicContact CE-CG 4.37Å; M319-A353 HydrophobicContact CG-CB 4.04Å; M319-A353 HydrophobicContact SD-CB 3.38Å; M319-A353 WeakPolarHBondContact SD-CB 3.3Å
320	K	93.3	Very high	92.6	Very high	150 Å²	150	65 Å²	65	65%	0.652	31%	0.314	S	S	*	.	H	α-helix	trans	-71.8	-29.5	172.7	-73.4	-176.5	-174.9	126.4	0	113.6	D317 I318	D317-K320 HydrophobicContact CB-CB 4.37Å; D317-K320 HydrophobicContact CB-CD 4.36Å; D317-K320 HydrophobicContact CB-CG 4.46Å; D317-K320 PolarHBondContact O-N 3.44Å; D317-K320 PolarHBondContact OD1-N 2.86Å; D317-K320 VanDerWaalsContact OD1-N 3.12Å; D317-K320 WeakPolarHBondContact OD2-CD 3.47Å; D317-K320 WeakPolarHBondContact OD2-CE 3.32Å; D317-K320 WeakPolarHBondContact OD2-CG 2.95Å; D317-K320 IonicContact OD2-NZ 2.77Å; D317-K320 PolarHBondContact OD2-NZ 2.72Å; I318-K320 VanDerWaalsContact C-N 3.32Å; I318-K320 PolarHBondContact O-N 3.34Å
321	R	93.6	Very high	92.7	Very high	99 Å²	99	62.6 Å²	62.6	37%	0.374	32%	0.319	S	S	.	.	H	α-helix	trans	-79.6	-33.1	-178.6	-73.1	-57.8	-148.2	171.6	10	113.9	T315 D317 I318 V324 W325	T315-R321 HydrophobicContact CG2-CG 4.16Å; T315-R321 WeakPolarHBondContact OG1-CG 3.47Å; D317-R321 PolarHBondContact O-N 3.22Å; I318-R321 PolarHBondContact O-N 3.13Å; I318-R321 VanDerWaalsContact O-N 3.12Å; R321-V324 WeakPolarHBondContact O-CB 3.27Å; R321-V324 PolarHBondContact O-N 3.33Å; R321-W325 HydrophobicContact CB-CD2 4.16Å; R321-W325 HydrophobicContact CB-CE3 4.23Å; R321-W325 HydrophobicContact CB-CH2 3.58Å; R321-W325 HydrophobicContact CB-CZ2 3.52Å; R321-W325 HydrophobicContact CB-CZ3 3.95Å; R321-W325 HydrophobicContact CG-CH2 4.34Å; R321-W325 HydrophobicContact CG-CZ2 4.02Å; R321-W325 PolarHBondContact O-N 2.57Å
322	I	95	Very high	92.8	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-52.4	-54.4	-177.7	-72.1	160.9	0	0	0	111.5	I318 M319 V324 W325 M326 Q346 L349 E350	I318-I322 HydrophobicContact CG1-CD1 4.1Å; I318-I322 HydrophobicContact CG1-CG1 4.22Å; I318-I322 WeakPolarHBondContact O-CG1 3.29Å; I318-I322 PolarHBondContact O-N 2.9Å; M319-I322 HydrophobicContact SD-CD1 4.22Å; I322-V324 VanDerWaalsContact C-N 3.32Å; I322-V324 PolarHBondContact O-N 3.03Å; I322-W325 HydrophobicContact CG1-CE3 4.32Å; I322-W325 HydrophobicContact CG1-CZ3 4.2Å; I322-W325 PolarHBondContact O-N 3.11Å; I322-M326 HydrophobicContact CG2-CG 4.05Å; I322-M326 VanDerWaalsContact O-CG 3.23Å; I322-M326 WeakPolarHBondContact O-CG 3.24Å; I322-M326 PolarHBondContact O-N 2.89Å; I322-Q346 HydrophobicContact CG2-CG 3.89Å; I322-L349 HydrophobicContact CD1-CB 3.71Å; I322-L349 HydrophobicContact CG1-CB 3.93Å; I322-L349 HydrophobicContact CG1-CD1 4.32Å; I322-L349 HydrophobicContact CG2-CB 4.49Å; I322-E350 HydrophobicContact CD1-CG 4.13Å; I322-E350 HydrophobicContact CG2-CG 4.04Å
323	P	95.1	Very high	93	Very high	52 Å²	52	63.5 Å²	63.5	34%	0.338	33%	0.332	S	S	.	.	H	α-helix	trans	-56.3	-43.5	179.4	-26.5	35.1	0	0	0	113.2	M319 W325 M326 D327	M319-P323 WeakPolarHBondContact O-CD 3.47Å; P323-W325 VanDerWaalsContact C-N 3.35Å; P323-W325 PolarHBondContact O-N 2.71Å; P323-M326 PolarHBondContact O-N 2.94Å; P323-M326 VanDerWaalsContact O-N 3.16Å; P323-D327 WeakPolarHBondContact O-CB 3.43Å; P323-D327 VanDerWaalsContact O-CG 3.28Å; P323-D327 PolarHBondContact O-N 3.12Å
324	V	95.1	Very high	93.4	Very high	75 Å²	75	71.4 Å²	71.4	46%	0.455	36%	0.359	S	S	.	.	H	α-helix	trans	-60.1	-44.3	179.8	-179.3	0	0	0	0	111.7	R321 I322 T328	R321-V324 WeakPolarHBondContact O-CB 3.27Å; R321-V324 PolarHBondContact O-N 3.33Å; I322-V324 VanDerWaalsContact C-N 3.32Å; I322-V324 PolarHBondContact O-N 3.03Å; V324-T328 PolarHBondContact O-N 2.99Å; V324-T328 PolarHBondContact O-OG1 3.33Å
325	W	95.7	Very high	93.8	Very high	10 Å²	10	67.9 Å²	67.9	4%	0.038	35%	0.348	C	S	.	.	H	α-helix	trans	-66.1	-42.8	176.3	-64.3	-31.3	0	0	0	112	M308 E311 L312 T315 I318 R321 I322 P323 T328 A329	M308-W325 HydrophobicContact CE-CB 3.67Å; M308-W325 HydrophobicContact CE-CG 4.13Å; M308-W325 HydrophobicContact CG-CB 4.13Å; M308-W325 HydrophobicContact CG-CD2 4.4Å; M308-W325 HydrophobicContact CG-CG 3.85Å; M308-W325 HydrophobicContact SD-CB 4.08Å; M308-W325 HydrophobicContact SD-CG 4.44Å; E311-W325 HydrophobicContact CB-CZ2 3.64Å; E311-W325 PolarHBondContact OE2-NE1 3.2Å; L312-W325 HydrophobicContact CB-CH2 4.29Å; L312-W325 HydrophobicContact CD1-CH2 3.82Å; L312-W325 HydrophobicContact CD1-CZ3 3.72Å; T315-W325 HydrophobicContact CG2-CH2 4.34Å; I318-W325 HydrophobicContact CG1-CZ3 4.34Å; R321-W325 HydrophobicContact CB-CD2 4.16Å; R321-W325 HydrophobicContact CB-CE3 4.23Å; R321-W325 HydrophobicContact CB-CH2 3.58Å; R321-W325 HydrophobicContact CB-CZ2 3.52Å; R321-W325 HydrophobicContact CB-CZ3 3.95Å; R321-W325 HydrophobicContact CG-CH2 4.34Å; R321-W325 HydrophobicContact CG-CZ2 4.02Å; R321-W325 PolarHBondContact O-N 2.57Å; I322-W325 HydrophobicContact CG1-CE3 4.32Å; I322-W325 HydrophobicContact CG1-CZ3 4.2Å; I322-W325 PolarHBondContact O-N 3.11Å; P323-W325 VanDerWaalsContact C-N 3.35Å; P323-W325 PolarHBondContact O-N 2.71Å; W325-T328 PolarHBondContact O-N 2.8Å; W325-A329 PolarHBondContact O-N 3.18Å
326	M	97	Very high	94.3	Very high	0 Å²	0	74 Å²	74	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-68.2	-39	-177.8	-61.6	-59.1	103.2	0	0	111.4	M308 I322 P323 T328 A329 R330 V342 L345 Q346 L349	M308-M326 HydrophobicContact CE-CE 3.58Å; I322-M326 HydrophobicContact CG2-CG 4.05Å; I322-M326 VanDerWaalsContact O-CG 3.23Å; I322-M326 WeakPolarHBondContact O-CG 3.24Å; I322-M326 PolarHBondContact O-N 2.89Å; P323-M326 PolarHBondContact O-N 2.94Å; P323-M326 VanDerWaalsContact O-N 3.16Å; M326-T328 VanDerWaalsContact C-N 3.33Å; M326-T328 PolarHBondContact O-N 3.3Å; M326-A329 CarbonylContact O-C 3.58Å; M326-A329 WeakPolarHBondContact O-CB 3.41Å; M326-A329 PolarHBondContact O-N 3.27Å; M326-A329 VanDerWaalsContact O-N 3.13Å; M326-R330 WeakPolarHBondContact O-CG 3.39Å; M326-R330 PolarHBondContact O-N 3.45Å; M326-V342 HydrophobicContact CB-CG1 3.99Å; M326-V342 HydrophobicContact CG-CG1 4.38Å; M326-V342 HydrophobicContact SD-CG1 3.78Å; M326-L345 HydrophobicContact CE-CD2 3.96Å; M326-L345 HydrophobicContact CE-CG 4.24Å; M326-L345 HydrophobicContact SD-CB 4.31Å; M326-L345 HydrophobicContact SD-CD2 4.32Å; M326-L345 HydrophobicContact SD-CG 4.24Å; M326-Q346 HydrophobicContact CG-CB 3.7Å; M326-Q346 HydrophobicContact CG-CG 3.95Å; M326-Q346 HydrophobicContact SD-CB 3.87Å; M326-L349 HydrophobicContact CE-CD1 4Å
327	D	97.1	Very high	94.9	Very high	96 Å²	96	68.9 Å²	68.9	51%	0.513	36%	0.355	S	S	.	.	H	α-helix	trans	-62.4	-41.8	175.4	-70.5	-14.3	0	0	0	111.8	P323 A329 R330 S331	P323-D327 WeakPolarHBondContact O-CB 3.43Å; P323-D327 VanDerWaalsContact O-CG 3.28Å; P323-D327 PolarHBondContact O-N 3.12Å; D327-A329 VanDerWaalsContact C-N 3.34Å; D327-A329 PolarHBondContact O-N 3.31Å; D327-R330 PolarHBondContact O-N 2.98Å; D327-R330 IonicContact OD1-NH1 3.89Å; D327-R330 PolarHBondContact OD1-NH1 3.04Å; D327-R330 VanDerWaalsContact OD1-NH1 3.08Å; D327-S331 PolarHBondContact O-N 2.51Å; D327-S331 VanDerWaalsContact O-N 3.08Å
328	T	95.3	Very high	95.3	Very high	58 Å²	58	67.5 Å²	67.5	36%	0.356	35%	0.348	S	S	.	.	H	α-helix	trans	-63	-42.3	173.5	-50.6	0	0	0	0	111.1	L304 V324 W325 M326 S331 C332	L304-T328 HydrophobicContact CD1-CG2 3.64Å; L304-T328 HydrophobicContact CD2-CG2 3.86Å; L304-T328 HydrophobicContact CG-CG2 4.42Å; V324-T328 PolarHBondContact O-N 2.99Å; V324-T328 PolarHBondContact O-OG1 3.33Å; W325-T328 PolarHBondContact O-N 2.8Å; M326-T328 VanDerWaalsContact C-N 3.33Å; M326-T328 PolarHBondContact O-N 3.3Å; T328-S331 PolarHBondContact O-N 3.26Å; T328-S331 PolarHBondContact O-OG 3.39Å; T328-C332 PolarHBondContact O-N 3.36Å; T328-C332 PolarHBondContact O-SG 2.97Å
329	A	96.2	Very high	95.6	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-64.6	-41.2	176.2	0	0	0	0	0	112.8	L297 W325 M326 D327 S331 C332 A333 V342	L297-A329 HydrophobicContact CD1-CB 4.3Å; L297-A329 HydrophobicContact CD2-CB 3.8Å; W325-A329 PolarHBondContact O-N 3.18Å; M326-A329 CarbonylContact O-C 3.58Å; M326-A329 WeakPolarHBondContact O-CB 3.41Å; M326-A329 PolarHBondContact O-N 3.27Å; M326-A329 VanDerWaalsContact O-N 3.13Å; D327-A329 VanDerWaalsContact C-N 3.34Å; D327-A329 PolarHBondContact O-N 3.31Å; A329-S331 VanDerWaalsContact C-N 3.31Å; A329-S331 PolarHBondContact O-N 3.24Å; A329-C332 WeakPolarHBondContact O-CA 3.42Å; A329-C332 WeakPolarHBondContact O-CB 3.46Å; A329-C332 PolarHBondContact O-N 3.32Å; A329-A333 PolarHBondContact O-N 2.88Å; A329-V342 HydrophobicContact CB-CG1 4.16Å; A329-V342 HydrophobicContact CB-CG2 3.92Å
330	R	97.1	Very high	95.8	Very high	71 Å²	71	69.6 Å²	69.6	27%	0.268	36%	0.358	S	S	.	.	H	α-helix	trans	-59.1	-40.2	174.7	-73	-179.1	-175.3	101.9	7.6	111.9	M326 D327 C332 A333 L339 V342 D343	M326-R330 WeakPolarHBondContact O-CG 3.39Å; M326-R330 PolarHBondContact O-N 3.45Å; D327-R330 PolarHBondContact O-N 2.98Å; D327-R330 IonicContact OD1-NH1 3.89Å; D327-R330 PolarHBondContact OD1-NH1 3.04Å; D327-R330 VanDerWaalsContact OD1-NH1 3.08Å; R330-C332 PolarHBondContact O-N 3.37Å; R330-A333 VanDerWaalsContact O-CB 3.24Å; R330-A333 WeakPolarHBondContact O-CB 3.35Å; R330-A333 PolarHBondContact O-N 3.23Å; R330-L339 HydrophobicContact CB-CD2 4.14Å; R330-L339 HydrophobicContact CG-CD2 3.99Å; R330-V342 HydrophobicContact CG-CB 4.46Å; R330-V342 HydrophobicContact CG-CG1 3.94Å; R330-D343 IonicContact CZ-OD1 3.67Å; R330-D343 IonicContact NE-OD1 3.97Å; R330-D343 IonicContact NH2-OD1 2.72Å; R330-D343 PolarHBondContact NH2-OD1 3.46Å
331	S	96.3	Very high	96	Very high	95 Å²	95	65.2 Å²	65.2	66%	0.664	34%	0.339	S	S	*	.	H	α-helix	trans	-63.5	-20.2	175.1	77	0	0	0	0	114.1	D327 T328 A329	D327-S331 PolarHBondContact O-N 2.51Å; D327-S331 VanDerWaalsContact O-N 3.08Å; T328-S331 PolarHBondContact O-N 3.26Å; T328-S331 PolarHBondContact O-OG 3.39Å; A329-S331 VanDerWaalsContact C-N 3.31Å; A329-S331 PolarHBondContact O-N 3.24Å
332	C	94.9	Very high	96.2	Very high	42 Å²	42	60.5 Å²	60.5	28%	0.284	32%	0.322	S	S	.	.	H	α-helix	trans	-89.1	-14.7	175.6	-62.2	0	0	0	0	112.8	F299 T328 A329 R330	F299-C332 HydrophobicContact CD2-CB 4.42Å; F299-C332 HydrophobicContact CE2-CB 4.17Å; T328-C332 PolarHBondContact O-N 3.36Å; T328-C332 PolarHBondContact O-SG 2.97Å; A329-C332 WeakPolarHBondContact O-CA 3.42Å; A329-C332 WeakPolarHBondContact O-CB 3.46Å; A329-C332 PolarHBondContact O-N 3.32Å; R330-C332 PolarHBondContact O-N 3.37Å
333	A	95	Very high	96.3	Very high	23 Å²	23	64 Å²	64	19%	0.19	34%	0.34	C	S	.	.			trans	-67.8	140.6	-177.4	0	0	0	0	0	110.7	F299 A329 R330 D338 L339	F299-A333 HydrophobicContact CE2-CB 4.08Å; F299-A333 HydrophobicContact CZ-CB 4.47Å; A329-A333 PolarHBondContact O-N 2.88Å; R330-A333 VanDerWaalsContact O-CB 3.24Å; R330-A333 WeakPolarHBondContact O-CB 3.35Å; R330-A333 PolarHBondContact O-N 3.23Å; A333-D338 HydrophobicContact CB-CB 3.62Å; A333-L339 HydrophobicContact CB-CD2 3.62Å; A333-L339 HydrophobicContact CB-CG 3.97Å
334	R	95.4	Very high	96.5	Very high	232 Å²	232	65 Å²	65	88%	0.875	34%	0.339	S	S	*	.			trans	-117.3	-15.5	179.3	-61.8	179.3	-176.7	178.6	-0.7	112.5	D338	R334-D338 PolarHBondContact N-OD2 2.9Å
335	T	96.3	Very high	96.6	Very high	73 Å²	73	61.4 Å²	61.4	45%	0.448	32%	0.318	S	S	.	.	S	Bend	trans	-135.5	160	-175.6	67.1	0	0	0	0	110.3	A337 D338 L339	T335-A337 PolarHBondContact O-N 3.44Å; T335-D338 PolarHBondContact N-OD2 3.29Å; T335-D338 WeakPolarHBondContact O-CB 3.36Å; T335-D338 PolarHBondContact O-N 3.01Å; T335-D338 VanDerWaalsContact O-N 3.14Å; T335-D338 PolarHBondContact OG1-N 3.49Å; T335-D338 PolarHBondContact OG1-OD2 2.83Å; T335-L339 PolarHBondContact O-N 3.2Å
336	E	95.8	Very high	96.7	Very high	147 Å²	147	62.6 Å²	62.6	69%	0.687	32%	0.323	S	S	*	.	H	α-helix	trans	-60.4	-34.1	173.6	-167.7	60.4	-154.9	0	0	112	D338 L339 E340	E336-D338 VanDerWaalsContact C-N 3.31Å; E336-D338 PolarHBondContact O-N 3.18Å; E336-L339 WeakPolarHBondContact O-CB 3.41Å; E336-L339 PolarHBondContact O-N 2.9Å; E336-E340 PolarHBondContact O-N 2.58Å
337	A	96.5	Very high	96.7	Very high	56 Å²	56	65.2 Å²	65.2	46%	0.463	34%	0.342	S	S	.	.	H	α-helix	trans	-63.8	-36.4	176.1	0	0	0	0	0	112.3	T335 E340 E341	T335-A337 PolarHBondContact O-N 3.44Å; A337-E340 PolarHBondContact O-N 3.38Å; A337-E341 WeakPolarHBondContact O-CG 3.31Å; A337-E341 PolarHBondContact O-N 2.92Å; A337-E341 VanDerWaalsContact O-N 3.11Å
338	D	97.1	Very high	96.6	Very high	29 Å²	29	61.4 Å²	61.4	16%	0.155	32%	0.32	C	S	.	.	H	α-helix	trans	-64.1	-43	174.5	-61.4	-39.6	0	0	0	110.6	F299 A333 R334 T335 E336 E341 V342	F299-D338 HydrophobicContact CD1-CB 3.92Å; F299-D338 WeakPolarHBondContact CD1-OD1 3.35Å; F299-D338 HydrophobicContact CD2-CB 4.14Å; F299-D338 HydrophobicContact CE1-CB 3.75Å; F299-D338 HydrophobicContact CE2-CB 4Å; F299-D338 HydrophobicContact CG-CB 4.12Å; F299-D338 WeakPolarHBondContact CG-OD1 3.44Å; F299-D338 HydrophobicContact CZ-CB 3.81Å; A333-D338 HydrophobicContact CB-CB 3.62Å; R334-D338 PolarHBondContact N-OD2 2.9Å; T335-D338 PolarHBondContact N-OD2 3.29Å; T335-D338 WeakPolarHBondContact O-CB 3.36Å; T335-D338 PolarHBondContact O-N 3.01Å; T335-D338 VanDerWaalsContact O-N 3.14Å; T335-D338 PolarHBondContact OG1-N 3.49Å; T335-D338 PolarHBondContact OG1-OD2 2.83Å; E336-D338 VanDerWaalsContact C-N 3.31Å; E336-D338 PolarHBondContact O-N 3.18Å; D338-E341 PolarHBondContact O-N 3.42Å; D338-V342 WeakPolarHBondContact O-CG2 3.37Å; D338-V342 PolarHBondContact O-N 3.34Å; D338-V342 VanDerWaalsContact O-N 3.09Å
339	L	97	Very high	96.6	Very high	52 Å²	52	58.7 Å²	58.7	27%	0.272	30%	0.304	S	S	.	.	H	α-helix	trans	-62.1	-43.1	176.6	-66.7	174.7	0	0	0	111.5	R330 A333 T335 E336 E341 V342 D343	R330-L339 HydrophobicContact CB-CD2 4.14Å; R330-L339 HydrophobicContact CG-CD2 3.99Å; A333-L339 HydrophobicContact CB-CD2 3.62Å; A333-L339 HydrophobicContact CB-CG 3.97Å; T335-L339 PolarHBondContact O-N 3.2Å; E336-L339 WeakPolarHBondContact O-CB 3.41Å; E336-L339 PolarHBondContact O-N 2.9Å; L339-E341 VanDerWaalsContact C-N 3.3Å; L339-E341 PolarHBondContact O-N 2.96Å; L339-V342 WeakPolarHBondContact O-CB 3.34Å; L339-V342 PolarHBondContact O-N 2.89Å; L339-V342 VanDerWaalsContact O-N 3.12Å; L339-D343 PolarHBondContact O-N 3.34Å
340	E	97.3	Very high	96.6	Very high	102 Å²	102	62 Å²	62	48%	0.477	32%	0.319	S	S	.	.	H	α-helix	trans	-59.1	-40.4	176.1	-163.1	-165.6	154.8	0	0	111.8	E336 A337 D343 K344	E336-E340 PolarHBondContact O-N 2.58Å; A337-E340 PolarHBondContact O-N 3.38Å; E340-D343 PolarHBondContact O-N 3.38Å; E340-K344 VanDerWaalsContact CD-NZ 3.27Å; E340-K344 HydrophobicContact CG-CD 4.48Å; E340-K344 WeakPolarHBondContact O-CB 3.44Å; E340-K344 VanDerWaalsContact O-CG 3.23Å; E340-K344 WeakPolarHBondContact O-CG 3.21Å; E340-K344 PolarHBondContact O-N 3.1Å; E340-K344 WeakPolarHBondContact OE1-CE 3.12Å; E340-K344 IonicContact OE1-NZ 3.81Å; E340-K344 PolarHBondContact OE1-NZ 3.06Å; E340-K344 IonicContact OE2-NZ 2.65Å
341	E	97.7	Very high	96.5	Very high	58 Å²	58	67 Å²	67	27%	0.271	34%	0.338	S	S	.	.	H	α-helix	trans	-68.3	-34.4	176.3	-70	-54.3	126	0	0	112.9	R296 A337 D338 L339 K344 L345	R296-E341 HydrophobicContact CB-CB 4.27Å; R296-E341 WeakPolarHBondContact CG-OE2 3.26Å; R296-E341 WeakPolarHBondContact O-CB 3.45Å; A337-E341 WeakPolarHBondContact O-CG 3.31Å; A337-E341 PolarHBondContact O-N 2.92Å; A337-E341 VanDerWaalsContact O-N 3.11Å; D338-E341 PolarHBondContact O-N 3.42Å; L339-E341 VanDerWaalsContact C-N 3.3Å; L339-E341 PolarHBondContact O-N 2.96Å; E341-K344 WeakPolarHBondContact OE1-CD 3.43Å; E341-K344 IonicContact OE1-NZ 3.65Å; E341-K344 PolarHBondContact OE1-NZ 3.01Å; E341-L345 WeakPolarHBondContact O-CB 3.43Å; E341-L345 PolarHBondContact O-N 3.1Å
342	V	97.8	Very high	96.4	Very high	0 Å²	0	63 Å²	63	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-64.3	-48.3	171.4	-179.2	0	0	0	0	110.8	L297 F299 M326 A329 R330 D338 L339 K344 L345 Q346	L297-V342 HydrophobicContact CD2-CG2 3.91Å; F299-V342 HydrophobicContact CE1-CG2 4.33Å; F299-V342 HydrophobicContact CZ-CG2 3.63Å; M326-V342 HydrophobicContact CB-CG1 3.99Å; M326-V342 HydrophobicContact CG-CG1 4.38Å; M326-V342 HydrophobicContact SD-CG1 3.78Å; A329-V342 HydrophobicContact CB-CG1 4.16Å; A329-V342 HydrophobicContact CB-CG2 3.92Å; R330-V342 HydrophobicContact CG-CB 4.46Å; R330-V342 HydrophobicContact CG-CG1 3.94Å; D338-V342 WeakPolarHBondContact O-CG2 3.37Å; D338-V342 PolarHBondContact O-N 3.34Å; D338-V342 VanDerWaalsContact O-N 3.09Å; L339-V342 WeakPolarHBondContact O-CB 3.34Å; L339-V342 PolarHBondContact O-N 2.89Å; L339-V342 VanDerWaalsContact O-N 3.12Å; V342-K344 VanDerWaalsContact C-N 3.33Å; V342-K344 PolarHBondContact O-N 3.38Å; V342-L345 CarbonylContact O-C 3.6Å; V342-L345 WeakPolarHBondContact O-CA 3.44Å; V342-L345 WeakPolarHBondContact O-CB 3.44Å; V342-L345 PolarHBondContact O-N 2.74Å; V342-Q346 PolarHBondContact O-N 3.39Å
343	D	97.5	Very high	96.3	Very high	72 Å²	72	61.3 Å²	61.3	39%	0.385	30%	0.298	S	S	.	.	H	α-helix	trans	-65.2	-38.2	-178.5	-70.2	-20.7	0	0	0	112	R330 L339 E340 L345 Q346 S347	R330-D343 IonicContact CZ-OD1 3.67Å; R330-D343 IonicContact NE-OD1 3.97Å; R330-D343 IonicContact NH2-OD1 2.72Å; R330-D343 PolarHBondContact NH2-OD1 3.46Å; L339-D343 PolarHBondContact O-N 3.34Å; E340-D343 PolarHBondContact O-N 3.38Å; D343-L345 VanDerWaalsContact C-N 3.3Å; D343-L345 PolarHBondContact O-N 3.11Å; D343-Q346 PolarHBondContact O-N 3.23Å; D343-S347 WeakPolarHBondContact O-CB 3.4Å; D343-S347 PolarHBondContact O-N 2.87Å; D343-S347 PolarHBondContact O-OG 2.97Å
344	K	97.4	Very high	96.2	Very high	74 Å²	74	64.1 Å²	64.1	32%	0.322	32%	0.315	S	S	.	.	H	α-helix	trans	-60.4	-39.2	170	-76.6	169.8	-174.1	160.9	0	111.8	R296 E340 E341 V342 Y348	R296-K344 VanDerWaalsContact NH1-C 3.25Å; R296-K344 PolarHBondContact NH1-O 2.93Å; E340-K344 VanDerWaalsContact CD-NZ 3.27Å; E340-K344 HydrophobicContact CG-CD 4.48Å; E340-K344 WeakPolarHBondContact O-CB 3.44Å; E340-K344 VanDerWaalsContact O-CG 3.23Å; E340-K344 WeakPolarHBondContact O-CG 3.21Å; E340-K344 PolarHBondContact O-N 3.1Å; E340-K344 WeakPolarHBondContact OE1-CE 3.12Å; E340-K344 IonicContact OE1-NZ 3.81Å; E340-K344 PolarHBondContact OE1-NZ 3.06Å; E340-K344 IonicContact OE2-NZ 2.65Å; E341-K344 WeakPolarHBondContact OE1-CD 3.43Å; E341-K344 IonicContact OE1-NZ 3.65Å; E341-K344 PolarHBondContact OE1-NZ 3.01Å; V342-K344 VanDerWaalsContact C-N 3.33Å; V342-K344 PolarHBondContact O-N 3.38Å; K344-Y348 WeakPolarHBondContact O-CB 3.46Å; K344-Y348 PolarHBondContact O-N 2.78Å; K344-Y348 VanDerWaalsContact O-N 3.16Å
345	L	97.5	Very high	96.1	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-69.4	-46.7	177.3	-177.5	60.2	0	0	0	111.7	I293 R296 L297 M326 E341 V342 D343 S347 Y348 L349	I293-L345 HydrophobicContact CG1-CD1 3.95Å; I293-L345 HydrophobicContact CG1-CD2 4.35Å; I293-L345 HydrophobicContact CG2-CD2 4.48Å; R296-L345 HydrophobicContact CB-CB 4.2Å; R296-L345 HydrophobicContact CB-CD2 4.46Å; L297-L345 HydrophobicContact CD1-CD2 3.64Å; L297-L345 HydrophobicContact CD2-CD2 3.94Å; L297-L345 HydrophobicContact CG-CD2 3.57Å; M326-L345 HydrophobicContact CE-CD2 3.96Å; M326-L345 HydrophobicContact CE-CG 4.24Å; M326-L345 HydrophobicContact SD-CB 4.31Å; M326-L345 HydrophobicContact SD-CD2 4.32Å; M326-L345 HydrophobicContact SD-CG 4.24Å; E341-L345 WeakPolarHBondContact O-CB 3.43Å; E341-L345 PolarHBondContact O-N 3.1Å; V342-L345 CarbonylContact O-C 3.6Å; V342-L345 WeakPolarHBondContact O-CA 3.44Å; V342-L345 WeakPolarHBondContact O-CB 3.44Å; V342-L345 PolarHBondContact O-N 2.74Å; D343-L345 VanDerWaalsContact C-N 3.3Å; D343-L345 PolarHBondContact O-N 3.11Å; L345-S347 PolarHBondContact O-N 3.15Å; L345-Y348 HydrophobicContact CD1-CD1 4.35Å; L345-Y348 WeakPolarHBondContact O-CB 3.48Å; L345-Y348 PolarHBondContact O-N 2.87Å; L345-Y348 VanDerWaalsContact O-N 3.09Å; L345-L349 HydrophobicContact CD1-CD1 4.2Å; L345-L349 HydrophobicContact CD1-CD2 4.48Å; L345-L349 HydrophobicContact CD1-CG 4.05Å; L345-L349 HydrophobicContact CG-CD1 4.04Å; L345-L349 HydrophobicContact CG-CG 4.31Å; L345-L349 WeakPolarHBondContact O-CG 3.29Å; L345-L349 PolarHBondContact O-N 2.93Å
346	Q	97.7	Very high	95.9	Very high	34 Å²	34	53 Å²	53	16%	0.159	27%	0.266	C	S	.	.	H	α-helix	trans	-54.2	-55.3	175.5	-177	164.3	-15.5	0	0	110.7	I322 M326 V342 D343 Y348 L349 E350	I322-Q346 HydrophobicContact CG2-CG 3.89Å; M326-Q346 HydrophobicContact CG-CB 3.7Å; M326-Q346 HydrophobicContact CG-CG 3.95Å; M326-Q346 HydrophobicContact SD-CB 3.87Å; V342-Q346 PolarHBondContact O-N 3.39Å; D343-Q346 PolarHBondContact O-N 3.23Å; Q346-Y348 PolarHBondContact O-N 2.88Å; Q346-Y348 VanDerWaalsContact O-N 3.1Å; Q346-L349 PolarHBondContact O-N 2.94Å; Q346-E350 HydrophobicContact CG-CG 4.25Å; Q346-E350 VanDerWaalsContact CG-OE1 3.25Å; Q346-E350 WeakPolarHBondContact CG-OE1 3.37Å; Q346-E350 PolarHBondContact NE2-OE1 3.37Å; Q346-E350 WeakPolarHBondContact O-CG 3.44Å; Q346-E350 PolarHBondContact O-N 2.96Å
347	S	96.9	Very high	95.7	Very high	56 Å²	56	47.3 Å²	47.3	39%	0.392	24%	0.241	S	C	.	.	H	α-helix	trans	-58.3	-28.5	178.8	-60.2	0	0	0	0	113.2	D343 L345 R351	D343-S347 WeakPolarHBondContact O-CB 3.4Å; D343-S347 PolarHBondContact O-N 2.87Å; D343-S347 PolarHBondContact O-OG 2.97Å; L345-S347 PolarHBondContact O-N 3.15Å; S347-R351 VanDerWaalsContact O-CB 3.27Å; S347-R351 WeakPolarHBondContact O-CB 3.29Å; S347-R351 PolarHBondContact O-N 3Å
348	Y	95.8	Very high	95.4	Very high	16 Å²	16	46 Å²	46	6%	0.063	23%	0.229	C	C	.	.	H	α-helix	trans	-77.3	-45.7	175.5	169.9	-95.1	0	0	0	111.8	V289 K292 R296 K344 L345 Q346 N352	V289-Y348 HydrophobicContact CG1-CE1 4.5Å; V289-Y348 HydrophobicContact CG2-CE1 4.35Å; K292-Y348 HydrophobicContact CB-CE1 4.35Å; K292-Y348 HydrophobicContact CD-CD1 3.95Å; K292-Y348 HydrophobicContact CD-CD2 3.81Å; K292-Y348 HydrophobicContact CD-CE1 3.57Å; K292-Y348 HydrophobicContact CD-CE2 3.41Å; K292-Y348 VanDerWaalsContact CD-CE2 3.41Å; K292-Y348 HydrophobicContact CD-CG 4.06Å; R296-Y348 VanDerWaalsContact NH1-CB 3.25Å; K344-Y348 WeakPolarHBondContact O-CB 3.46Å; K344-Y348 PolarHBondContact O-N 2.78Å; K344-Y348 VanDerWaalsContact O-N 3.16Å; L345-Y348 HydrophobicContact CD1-CD1 4.35Å; L345-Y348 WeakPolarHBondContact O-CB 3.48Å; L345-Y348 PolarHBondContact O-N 2.87Å; L345-Y348 VanDerWaalsContact O-N 3.09Å; Q346-Y348 PolarHBondContact O-N 2.88Å; Q346-Y348 VanDerWaalsContact O-N 3.1Å; Y348-N352 WeakPolarHBondContact CD2-ND2 3.41Å; Y348-N352 WeakPolarHBondContact CE2-ND2 3.18Å; Y348-N352 WeakPolarHBondContact O-CB 3.43Å; Y348-N352 PolarHBondContact O-N 3.25Å; Y348-N352 VanDerWaalsContact O-N 3.15Å; Y348-N352 PolarHBondContact O-ND2 2.89Å
349	L	95.8	Very high	95.2	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-66.2	-45.1	-179.4	-68.6	176.1	0	0	0	111.1	V289 I293 I322 M326 L345 Q346 R351 N352 A353 I356	V289-L349 HydrophobicContact CG1-CD2 4.21Å; I293-L349 HydrophobicContact CD1-CD2 4.44Å; I322-L349 HydrophobicContact CD1-CB 3.71Å; I322-L349 HydrophobicContact CG1-CB 3.93Å; I322-L349 HydrophobicContact CG1-CD1 4.32Å; I322-L349 HydrophobicContact CG2-CB 4.49Å; M326-L349 HydrophobicContact CE-CD1 4Å; L345-L349 HydrophobicContact CD1-CD1 4.2Å; L345-L349 HydrophobicContact CD1-CD2 4.48Å; L345-L349 HydrophobicContact CD1-CG 4.05Å; L345-L349 HydrophobicContact CG-CD1 4.04Å; L345-L349 HydrophobicContact CG-CG 4.31Å; L345-L349 WeakPolarHBondContact O-CG 3.29Å; L345-L349 PolarHBondContact O-N 2.93Å; Q346-L349 PolarHBondContact O-N 2.94Å; L349-R351 PolarHBondContact O-N 2.85Å; L349-N352 CarbonylContact O-C 3.55Å; L349-N352 PolarHBondContact O-N 2.8Å; L349-N352 VanDerWaalsContact O-N 3.16Å; L349-A353 WeakPolarHBondContact O-CA 3.48Å; L349-A353 PolarHBondContact O-N 3.3Å; L349-I356 HydrophobicContact CD2-CD1 3.89Å
350	E	95.9	Very high	94.8	Very high	70 Å²	70	47.6 Å²	47.6	33%	0.327	24%	0.244	S	C	.	.	H	α-helix	trans	-60.1	-47.1	178.4	-69.6	172.1	169	0	0	111.3	M319 I322 Q346 N352 A353	M319-E350 HydrophobicContact CE-CG 4.37Å; I322-E350 HydrophobicContact CD1-CG 4.13Å; I322-E350 HydrophobicContact CG2-CG 4.04Å; Q346-E350 HydrophobicContact CG-CG 4.25Å; Q346-E350 VanDerWaalsContact CG-OE1 3.25Å; Q346-E350 WeakPolarHBondContact CG-OE1 3.37Å; Q346-E350 PolarHBondContact NE2-OE1 3.37Å; Q346-E350 WeakPolarHBondContact O-CG 3.44Å; Q346-E350 PolarHBondContact O-N 2.96Å; E350-N352 PolarHBondContact O-N 3.31Å; E350-A353 VanDerWaalsContact O-CB 3.3Å; E350-A353 WeakPolarHBondContact O-CB 3.5Å; E350-A353 PolarHBondContact O-N 2.94Å
351	R	94.2	Very high	94.5	Very high	177 Å²	177	45.3 Å²	45.3	67%	0.668	23%	0.234	S	C	*	.	H	α-helix	trans	-61.6	-30.8	177.5	-168.9	-169.1	-40	167.8	6.1	113.4	S347 L349	S347-R351 VanDerWaalsContact O-CB 3.27Å; S347-R351 WeakPolarHBondContact O-CB 3.29Å; S347-R351 PolarHBondContact O-N 3Å; L349-R351 PolarHBondContact O-N 2.85Å
352	N	93.7	Very high	94.2	Very high	9 Å²	9	45.6 Å²	45.6	5%	0.048	23%	0.232	C	C	.	.	H	α-helix	trans	-103.1	6	-179.1	-67.9	-87	0	0	0	112.7	R284 Y348 L349 E350 P354 Y355 I356	R284-N352 PolarHBondContact NE-OD1 2.96Å; R284-N352 PolarHBondContact NH2-OD1 2.84Å; Y348-N352 WeakPolarHBondContact CD2-ND2 3.41Å; Y348-N352 WeakPolarHBondContact CE2-ND2 3.18Å; Y348-N352 WeakPolarHBondContact O-CB 3.43Å; Y348-N352 PolarHBondContact O-N 3.25Å; Y348-N352 VanDerWaalsContact O-N 3.15Å; Y348-N352 PolarHBondContact O-ND2 2.89Å; L349-N352 CarbonylContact O-C 3.55Å; L349-N352 PolarHBondContact O-N 2.8Å; L349-N352 VanDerWaalsContact O-N 3.16Å; E350-N352 PolarHBondContact O-N 3.31Å; N352-P354 VanDerWaalsContact C-CD 3.42Å; N352-P354 VanDerWaalsContact C-N 3.3Å; N352-Y355 WeakPolarHBondContact O-CA 3.46Å; N352-Y355 PolarHBondContact O-N 2.99Å; N352-I356 HydrophobicContact CB-CD1 4.01Å; N352-I356 HydrophobicContact CB-CG1 4.2Å; N352-I356 WeakPolarHBondContact O-CG1 3.4Å; N352-I356 PolarHBondContact O-N 3.47Å; N352-I356 VanDerWaalsContact O-N 3.11Å
353	A	93.7	Very high	93.9	Very high	7 Å²	7	47.9 Å²	47.9	6%	0.058	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-38	-176.2	0	0	0	0	0	113.4	I318 M319 L349 E350 Y355 P357	I318-A353 HydrophobicContact CG2-CB 3.93Å; M319-A353 HydrophobicContact CG-CB 4.04Å; M319-A353 HydrophobicContact SD-CB 3.38Å; M319-A353 WeakPolarHBondContact SD-CB 3.3Å; L349-A353 WeakPolarHBondContact O-CA 3.48Å; L349-A353 PolarHBondContact O-N 3.3Å; E350-A353 VanDerWaalsContact O-CB 3.3Å; E350-A353 WeakPolarHBondContact O-CB 3.5Å; E350-A353 PolarHBondContact O-N 2.94Å; A353-Y355 PolarHBondContact O-N 3.45Å; A353-P357 WeakPolarHBondContact O-CD 3.48Å
354	P	92.4	Very high	93.6	Very high	83 Å²	83	45.6 Å²	45.6	54%	0.539	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-22	174.3	-22.2	34.9	0	0	0	114.4	N352 R362	N352-P354 VanDerWaalsContact C-CD 3.42Å; N352-P354 VanDerWaalsContact C-N 3.3Å; P354-R362 PolarHBondContact O-NH2 3.25Å; P354-R362 VanDerWaalsContact O-NH2 3.08Å
355	Y	93.4	Very high	93.3	Very high	58 Å²	58	50.2 Å²	50.2	23%	0.227	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-11.6	-171.2	-49.2	-52.7	0	0	0	114	F267 H282 F283 R284 N352 A353 R362	F267-Y355 HydrophobicContact CB-CE1 4.1Å; F267-Y355 HydrophobicContact CD2-CE1 4.14Å; F267-Y355 HydrophobicContact CG-CE1 4.12Å; H282-Y355 HydrophobicContact CB-CD1 4.22Å; H282-Y355 HydrophobicContact CB-CE1 4.44Å; H282-Y355 AromaticContact CD2-CD1 3.76Å; H282-Y355 AromaticContact CD2-CG 3.95Å; F283-Y355 WeakPolarHBondContact CA-O 3.47Å; R284-Y355 PolarHBondContact N-O 3.21Å; N352-Y355 WeakPolarHBondContact O-CA 3.46Å; N352-Y355 PolarHBondContact O-N 2.99Å; A353-Y355 PolarHBondContact O-N 3.45Å; Y355-R362 VanDerWaalsContact CA-NH2 3.34Å; Y355-R362 PolarHBondContact O-NH2 3.26Å
356	I	92.9	Very high	93	Very high	13 Å²	13	52.4 Å²	52.4	7%	0.067	28%	0.279	C	S	.	.	S	Bend	trans	-79	-39.9	-179.1	-69.3	162.7	0	0	0	113.5	V289 L312 I318 L349 N352 S358	V289-I356 HydrophobicContact CG2-CG1 4.28Å; L312-I356 HydrophobicContact CD1-CG2 3.85Å; L312-I356 HydrophobicContact CD2-CG2 3.87Å; L312-I356 HydrophobicContact CG-CG2 3.72Å; I318-I356 HydrophobicContact CD1-CB 3.81Å; I318-I356 HydrophobicContact CD1-CD1 3.81Å; I318-I356 HydrophobicContact CD1-CG1 4.43Å; I318-I356 HydrophobicContact CD1-CG2 3.59Å; L349-I356 HydrophobicContact CD2-CD1 3.89Å; N352-I356 HydrophobicContact CB-CD1 4.01Å; N352-I356 HydrophobicContact CB-CG1 4.2Å; N352-I356 WeakPolarHBondContact O-CG1 3.4Å; N352-I356 PolarHBondContact O-N 3.47Å; N352-I356 VanDerWaalsContact O-N 3.11Å; I356-S358 PolarHBondContact O-N 2.9Å
357	P	92	Very high	92.5	Very high	27 Å²	27	58 Å²	58	18%	0.175	31%	0.305	C	S	.	.	S	Bend	trans	-55.1	132.5	-177.7	-29.1	35.2	0	0	0	112.2	F283 A353 Q361 R362	F283-P357 WeakPolarHBondContact CD1-O 3.48Å; F283-P357 VanDerWaalsContact CE1-O 3.26Å; F283-P357 WeakPolarHBondContact CE1-O 3.19Å; A353-P357 WeakPolarHBondContact O-CD 3.48Å; P357-Q361 HydrophobicContact CB-CB 3.96Å; P357-R362 HydrophobicContact CB-CG 4.27Å; P357-R362 PolarHBondContact O-NE 2.88Å; P357-R362 VanDerWaalsContact O-NE 3.14Å; P357-R362 PolarHBondContact O-NH2 3.36Å
358	S	90.5	Very high	92.2	Very high	30 Å²	30	55.4 Å²	55.4	21%	0.21	29%	0.287	C	S	.	.			trans	-63.1	166.2	178.5	63.3	0	0	0	0	112.7	I356 S360 Q361 R362	I356-S358 PolarHBondContact O-N 2.9Å; S358-S360 VanDerWaalsContact C-N 3.27Å; S358-S360 PolarHBondContact O-N 3.23Å; S358-S360 PolarHBondContact OG-OG 3.38Å; S358-Q361 PolarHBondContact O-N 3.1Å; S358-Q361 VanDerWaalsContact O-N 3.14Å; S358-Q361 WeakPolarHBondContact OG-CG 3.47Å; S358-Q361 PolarHBondContact OG-N 2.78Å; S358-Q361 PolarHBondContact OG-OE1 3.05Å; S358-R362 PolarHBondContact O-N 3.26Å; S358-R362 VanDerWaalsContact O-N 3.13Å
359	L	91.8	Very high	91.7	Very high	26 Å²	26	59.8 Å²	59.8	14%	0.136	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-45.3	176.3	-69.5	164.4	0	0	0	111.9	L256 F283 R362 G363 I364 T366 I368 L370	L256-L359 HydrophobicContact CD1-CD1 4.49Å; L256-L359 HydrophobicContact CD1-CD2 3.73Å; L256-L359 HydrophobicContact CD2-CD2 3.87Å; L256-L359 HydrophobicContact CG-CD2 4.37Å; F283-L359 HydrophobicContact CE1-CD2 4.07Å; F283-L359 HydrophobicContact CE1-CG 4.3Å; F283-L359 HydrophobicContact CE2-CD2 3.8Å; F283-L359 HydrophobicContact CZ-CD2 3.39Å; F283-L359 HydrophobicContact CZ-CG 4.1Å; L359-R362 CarbonylContact O-C 3.59Å; L359-R362 PolarHBondContact O-N 3.17Å; L359-R362 VanDerWaalsContact O-N 3.14Å; L359-G363 PolarHBondContact O-N 3Å; L359-I364 CarbonylContact C-O 3.58Å; L359-I364 HydrophobicContact CB-CB 4.31Å; L359-I364 HydrophobicContact CD2-CB 4.09Å; L359-I364 HydrophobicContact CD2-CD1 4.09Å; L359-I364 HydrophobicContact CD2-CG2 3.92Å; L359-I364 PolarHBondContact O-N 3.46Å; L359-T366 HydrophobicContact CD1-CG2 3.92Å; L359-I368 WeakPolarHBondContact CD1-O 3.39Å; L359-L370 HydrophobicContact CD1-CG 4.48Å
360	S	89.7	Confident	91.2	Very high	87 Å²	87	61.5 Å²	61.5	61%	0.608	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-66.3	-39.7	178.6	48.2	0	0	0	0	113.1	S358 R362 G363	S358-S360 VanDerWaalsContact C-N 3.27Å; S358-S360 PolarHBondContact O-N 3.23Å; S358-S360 PolarHBondContact OG-OG 3.38Å; S360-R362 PolarHBondContact O-N 3.42Å; S360-G363 PolarHBondContact O-N 2.96Å
361	Q	90.1	Very high	90.3	Very high	55 Å²	55	59.7 Å²	59.7	26%	0.257	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-64.3	-21.9	175	-75.1	165.4	-60.6	0	0	112.2	L312 T315 P357 S358	L312-Q361 PolarHBondContact O-NE2 3.42Å; T315-Q361 PolarHBondContact O-NE2 3.03Å; P357-Q361 HydrophobicContact CB-CB 3.96Å; S358-Q361 PolarHBondContact O-N 3.1Å; S358-Q361 VanDerWaalsContact O-N 3.14Å; S358-Q361 WeakPolarHBondContact OG-CG 3.47Å; S358-Q361 PolarHBondContact OG-N 2.78Å; S358-Q361 PolarHBondContact OG-OE1 3.05Å
362	R	91	Very high	89.2	Confident	63 Å²	63	52.8 Å²	52.8	24%	0.238	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-94.8	4.1	173.9	-59.8	-169.9	-162.5	-169.8	8.5	113.9	H282 F283 P354 Y355 P357 S358 L359 S360 I364	H282-R362 PolarHBondContact O-NH1 3.29Å; H282-R362 PolarHBondContact O-NH2 3.45Å; F283-R362 VanDerWaalsContact CE1-CZ 3.45Å; P354-R362 PolarHBondContact O-NH2 3.25Å; P354-R362 VanDerWaalsContact O-NH2 3.08Å; Y355-R362 VanDerWaalsContact CA-NH2 3.34Å; Y355-R362 PolarHBondContact O-NH2 3.26Å; P357-R362 HydrophobicContact CB-CG 4.27Å; P357-R362 PolarHBondContact O-NE 2.88Å; P357-R362 VanDerWaalsContact O-NE 3.14Å; P357-R362 PolarHBondContact O-NH2 3.36Å; S358-R362 PolarHBondContact O-N 3.26Å; S358-R362 VanDerWaalsContact O-N 3.13Å; L359-R362 CarbonylContact O-C 3.59Å; L359-R362 PolarHBondContact O-N 3.17Å; L359-R362 VanDerWaalsContact O-N 3.14Å; S360-R362 PolarHBondContact O-N 3.42Å; R362-I364 VanDerWaalsContact C-N 3.3Å; R362-I364 HydrophobicContact CB-CD1 3.99Å; R362-I364 HydrophobicContact CB-CG1 4.21Å; R362-I364 PolarHBondContact O-N 3.34Å
363	G	91	Very high	87.9	Confident	48 Å²	48	53 Å²	53	50%	0.495	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	72	18.8	-177.8	0	0	0	0	0	114.7	L359 S360	L359-G363 PolarHBondContact O-N 3Å; S360-G363 PolarHBondContact O-N 2.96Å
364	I	92.1	Very high	86.8	Confident	25 Å²	25	57.4 Å²	57.4	13%	0.128	32%	0.317	C	S	.	.			trans	-94.3	110.2	-179.9	-57.2	164.8	0	0	0	108.9	L256 Q281 F283 L359 R362 T366	L256-I364 HydrophobicContact CD2-CD1 4.21Å; L256-I364 HydrophobicContact CD2-CG2 4.37Å; Q281-I364 HydrophobicContact CB-CD1 4.08Å; Q281-I364 HydrophobicContact CG-CD1 3.66Å; F283-I364 HydrophobicContact CZ-CD1 4.19Å; L359-I364 CarbonylContact C-O 3.58Å; L359-I364 HydrophobicContact CB-CB 4.31Å; L359-I364 HydrophobicContact CD2-CB 4.09Å; L359-I364 HydrophobicContact CD2-CD1 4.09Å; L359-I364 HydrophobicContact CD2-CG2 3.92Å; L359-I364 PolarHBondContact O-N 3.46Å; R362-I364 VanDerWaalsContact C-N 3.3Å; R362-I364 HydrophobicContact CB-CD1 3.99Å; R362-I364 HydrophobicContact CB-CG1 4.21Å; R362-I364 PolarHBondContact O-N 3.34Å; I364-T366 HydrophobicContact CG2-CG2 4.25Å
365	H	90.6	Very high	86	Confident	171 Å²	171	58.4 Å²	58.4	79%	0.792	32%	0.322	S	S	*	.			trans	-98.4	105.7	179.1	-59.9	-68.8	0	0	0	110.4
366	T	90.9	Very high	85.5	Confident	45 Å²	45	56.4 Å²	56.4	28%	0.276	32%	0.315	S	S	.	.			trans	-146.8	155.1	179.7	-178.2	0	0	0	0	111	I183 L256 L359 I364 I368	I183-T366 HydrophobicContact CD1-CG2 4.47Å; L256-T366 HydrophobicContact CD1-CG2 4.17Å; L359-T366 HydrophobicContact CD1-CG2 3.92Å; I364-T366 HydrophobicContact CG2-CG2 4.25Å; T366-I368 HydrophobicContact CG2-CB 3.96Å; T366-I368 PolarHBondContact O-N 2.64Å; T366-I368 PolarHBondContact OG1-N 3.43Å
367	E	88.2	Confident	85.1	Confident	151 Å²	151	56.9 Å²	56.9	71%	0.706	32%	0.317	S	S	*	.	S	Bend	trans	-75.8	-10.5	170.1	-60.9	-170	158.6	0	0	112.8	H369	E367-H369 PolarHBondContact O-N 3.3Å
368	I	89.8	Confident	84.9	Confident	3 Å²	3	60.7 Å²	60.7	2%	0.015	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-68.4	125.1	176.9	-70.6	163.6	0	0	0	110.1	I183 A185 Y210 L256 L359 T366 L370	I183-I368 HydrophobicContact CB-CD1 4.34Å; I183-I368 HydrophobicContact CG2-CD1 3.63Å; A185-I368 HydrophobicContact CB-CD1 4.26Å; A185-I368 HydrophobicContact CB-CG2 3.94Å; Y210-I368 HydrophobicContact CE2-CG1 4.34Å; Y210-I368 HydrophobicContact CE2-CG2 3.9Å; L256-I368 HydrophobicContact CD1-CG2 4.27Å; L359-I368 WeakPolarHBondContact CD1-O 3.39Å; T366-I368 HydrophobicContact CG2-CB 3.96Å; T366-I368 PolarHBondContact O-N 2.64Å; T366-I368 PolarHBondContact OG1-N 3.43Å; I368-L370 HydrophobicContact CG2-CD2 4.19Å
369	H	85.1	Confident	84.9	Confident	107 Å²	107	62.3 Å²	62.3	50%	0.495	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-103.6	125.1	164.2	-55.8	-50	0	0	0	108.3	Y210 E367 T372	Y210-H369 PolarHBondContact OH-O 3.09Å; E367-H369 PolarHBondContact O-N 3.3Å; H369-T372 WeakPolarHBondContact O-CG2 3.45Å
370	L	85.9	Confident	84.9	Confident	36 Å²	36	61.2 Å²	61.2	19%	0.188	33%	0.325	C	S	.	.	S	Bend	trans	-78.9	159.7	171.9	-61.3	173.2	0	0	0	110.4	A185 E187 L256 N258 F283 L359 I368	A185-L370 HydrophobicContact CB-CD2 4.09Å; E187-L370 HydrophobicContact CG-CD2 4.49Å; E187-L370 VanDerWaalsContact OE1-CA 3.27Å; E187-L370 WeakPolarHBondContact OE1-CA 3.44Å; L256-L370 HydrophobicContact CB-CD2 4.26Å; N258-L370 HydrophobicContact CB-CB 4.44Å; N258-L370 HydrophobicContact CB-CD1 4.38Å; N258-L370 HydrophobicContact CB-CD2 4.33Å; F283-L370 HydrophobicContact CB-CD1 3.93Å; F283-L370 HydrophobicContact CD1-CD1 4.3Å; F283-L370 HydrophobicContact CD2-CD1 3.32Å; F283-L370 HydrophobicContact CE2-CD1 3.88Å; F283-L370 HydrophobicContact CG-CD1 3.58Å; L359-L370 HydrophobicContact CD1-CG 4.48Å; I368-L370 HydrophobicContact CG2-CD2 4.19Å
371	G	77.4	Confident	84.9	Confident	33 Å²	33	57.9 Å²	57.9	34%	0.34	30%	0.302	S	S	.	.			trans	91.2	16.7	-174.2	0	0	0	0	0	114	E187 A373	E187-G371 PolarHBondContact OE1-N 2.89Å; G371-A373 PolarHBondContact O-N 3.48Å
372	T	71.4	Confident	84.9	Confident	32 Å²	32	62.8 Å²	62.8	20%	0.196	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-13.4	179.1	66	0	0	0	0	113	E187 Q208 L222 H369 E374 T375	E187-T372 PolarHBondContact OE1-N 3.47Å; E187-T372 VanDerWaalsContact OE1-N 3.15Å; E187-T372 PolarHBondContact OE2-N 3.05Å; E187-T372 PolarHBondContact OE2-OG1 3.46Å; E187-T372 VanDerWaalsContact OE2-OG1 3.09Å; Q208-T372 PolarHBondContact NE2-OG1 3Å; L222-T372 HydrophobicContact CD2-CG2 4.21Å; H369-T372 WeakPolarHBondContact O-CG2 3.45Å; T372-E374 PolarHBondContact O-N 3.13Å; T372-E374 VanDerWaalsContact O-N 3.12Å; T372-T375 PolarHBondContact O-N 3.02Å
373	A	66.8	Low	84.8	Confident	12 Å²	12	60.3 Å²	60.3	10%	0.099	31%	0.31	C	S	.	.	H	α-helix	trans	-50.5	-35.6	178.8	0	0	0	0	0	112.3	E187 G371 T375 N376 H377	E187-A373 HydrophobicContact CB-CB 4.11Å; E187-A373 WeakPolarHBondContact OE2-CA 3.37Å; E187-A373 VanDerWaalsContact OE2-CB 3.32Å; E187-A373 WeakPolarHBondContact OE2-CB 3.38Å; E187-A373 PolarHBondContact OE2-N 3.36Å; G371-A373 PolarHBondContact O-N 3.48Å; A373-T375 PolarHBondContact O-N 3.37Å; A373-N376 CarbonylContact O-C 3.58Å; A373-N376 PolarHBondContact O-N 2.73Å; A373-H377 WeakPolarHBondContact O-CA 3.26Å; A373-H377 WeakPolarHBondContact O-CB 3.46Å; A373-H377 PolarHBondContact O-N 3.22Å
374	E	69.1	Low	84.8	Confident	101 Å²	101	58.2 Å²	58.2	47%	0.472	29%	0.287	S	S	.	.	H	α-helix	trans	-60.6	-40.5	-176.3	-157.2	-151.7	140.2	0	0	112.9	T372 H377 R378	T372-E374 PolarHBondContact O-N 3.13Å; T372-E374 VanDerWaalsContact O-N 3.12Å; E374-H377 VanDerWaalsContact O-CB 3.22Å; E374-H377 WeakPolarHBondContact O-CB 3.44Å; E374-H377 PolarHBondContact O-N 3.01Å; E374-R378 WeakPolarHBondContact O-CG 3.28Å; E374-R378 PolarHBondContact O-N 3.09Å; E374-R378 IonicContact OE1-CZ 2.58Å; E374-R378 IonicContact OE1-NE 3.37Å; E374-R378 PolarHBondContact OE1-NE 3.42Å; E374-R378 IonicContact OE1-NH2 3.38Å; E374-R378 PolarHBondContact OE1-NH2 3.04Å
375	T	76.7	Confident	84.4	Confident	103 Å²	103	61 Å²	61	63%	0.632	30%	0.298	S	S	*	.	H	α-helix	trans	-68.7	-41.7	178.6	-64.4	0	0	0	0	110.8	T372 A373 H377 R378	T372-T375 PolarHBondContact O-N 3.02Å; A373-T375 PolarHBondContact O-N 3.37Å; T375-H377 VanDerWaalsContact C-N 3.26Å; T375-H377 PolarHBondContact O-N 3.47Å; T375-R378 PolarHBondContact O-N 2.79Å
376	N	83.2	Confident	83.5	Confident	17 Å²	17	63.3 Å²	63.3	9%	0.091	30%	0.3	C	S	.	.	H	α-helix	trans	-71.1	-24.2	174.6	-70.4	-29.9	0	0	0	112.1	Q208 A373 F379 Y380 K407	Q208-N376 VanDerWaalsContact OE1-CB 3.23Å; Q208-N376 PolarHBondContact OE1-ND2 2.73Å; A373-N376 CarbonylContact O-C 3.58Å; A373-N376 PolarHBondContact O-N 2.73Å; N376-F379 WeakPolarHBondContact O-CB 3.43Å; N376-F379 PolarHBondContact O-N 3.16Å; N376-Y380 WeakPolarHBondContact O-CD2 3.42Å; N376-K407 VanDerWaalsContact OD1-CE 3.3Å; N376-K407 WeakPolarHBondContact OD1-CE 3.38Å; N376-K407 PolarHBondContact OD1-NZ 3.38Å
377	H	83.7	Confident	82.2	Confident	23 Å²	23	68.9 Å²	68.9	11%	0.106	32%	0.323	C	S	.	.	H	α-helix	trans	-64.6	-41.9	175.7	-167.2	120.5	0	0	0	110.7	D189 G190 R206 A373 E374 T375 F379 Y380 S381	D189-H377 IonicContact OD2-CE1 3.24Å; D189-H377 PolarHBondContact OD2-CE1 3.49Å; D189-H377 VanDerWaalsContact OD2-CE1 3.22Å; D189-H377 IonicContact OD2-CG 2.79Å; D189-H377 IonicContact OD2-ND1 3.15Å; D189-H377 PolarHBondContact OD2-ND1 3.36Å; G190-H377 PolarHBondContact O-CE1 3.44Å; R206-H377 PolarHBondContact NH1-CD2 3.45Å; R206-H377 VanDerWaalsContact NH1-CD2 3.31Å; R206-H377 PolarHBondContact NH1-CE1 3.4Å; R206-H377 VanDerWaalsContact NH1-CE1 3.29Å; R206-H377 PolarHBondContact NH1-ND1 2.92Å; R206-H377 PolarHBondContact NH1-NE2 2.85Å; R206-H377 PolarHBondContact NH2-ND1 3.34Å; A373-H377 WeakPolarHBondContact O-CA 3.26Å; A373-H377 WeakPolarHBondContact O-CB 3.46Å; A373-H377 PolarHBondContact O-N 3.22Å; E374-H377 VanDerWaalsContact O-CB 3.22Å; E374-H377 WeakPolarHBondContact O-CB 3.44Å; E374-H377 PolarHBondContact O-N 3.01Å; T375-H377 VanDerWaalsContact C-N 3.26Å; T375-H377 PolarHBondContact O-N 3.47Å; H377-F379 PolarHBondContact O-N 3.09Å; H377-Y380 PolarHBondContact O-N 2.88Å; H377-Y380 VanDerWaalsContact O-N 3.07Å; H377-S381 PolarHBondContact O-N 2.7Å; H377-S381 PolarHBondContact O-OG 3.29Å
378	R	88.2	Confident	80.8	Confident	107 Å²	107	65.7 Å²	65.7	40%	0.404	33%	0.33	S	S	.	.	H	α-helix	trans	-58.7	-33	180	-70.1	173.3	-173.3	-166.8	4.1	113.2	E374 T375 Y380 S381 Y382	E374-R378 WeakPolarHBondContact O-CG 3.28Å; E374-R378 PolarHBondContact O-N 3.09Å; E374-R378 IonicContact OE1-CZ 2.58Å; E374-R378 IonicContact OE1-NE 3.37Å; E374-R378 PolarHBondContact OE1-NE 3.42Å; E374-R378 IonicContact OE1-NH2 3.38Å; E374-R378 PolarHBondContact OE1-NH2 3.04Å; T375-R378 PolarHBondContact O-N 2.79Å; R378-Y380 PolarHBondContact O-N 3.42Å; R378-S381 WeakPolarHBondContact CA-OG 3.44Å; R378-S381 PolarHBondContact O-N 3.12Å; R378-Y382 HydrophobicContact CB-CD1 4.19Å; R378-Y382 HydrophobicContact CB-CD2 4.46Å; R378-Y382 HydrophobicContact CB-CE1 3.94Å; R378-Y382 HydrophobicContact CB-CE2 4.23Å; R378-Y382 HydrophobicContact CB-CG 4.46Å; R378-Y382 HydrophobicContact CG-CD1 4.48Å; R378-Y382 HydrophobicContact CG-CE1 3.85Å; R378-Y382 WeakPolarHBondContact O-CB 3.29Å; R378-Y382 VanDerWaalsContact O-CG 3.22Å; R378-Y382 PolarHBondContact O-N 3.22Å
379	F	89.7	Confident	79.9	Confident	63 Å²	63	68.1 Å²	68.1	28%	0.276	34%	0.339	S	S	.	.	H	α-helix	trans	-56.3	-38.2	176.4	-173.2	-92.1	0	0	0	112.2	N376 H377 L403 R406 K407	N376-F379 WeakPolarHBondContact O-CB 3.43Å; N376-F379 PolarHBondContact O-N 3.16Å; H377-F379 PolarHBondContact O-N 3.09Å; F379-L403 HydrophobicContact CD1-CB 4.39Å; F379-L403 HydrophobicContact CD1-CD2 4.38Å; F379-L403 HydrophobicContact CE1-CB 3.92Å; F379-L403 HydrophobicContact CE1-CD2 3.8Å; F379-L403 HydrophobicContact CE1-CG 4.48Å; F379-L403 VanDerWaalsContact CE1-O 3.27Å; F379-L403 WeakPolarHBondContact CE1-O 3.21Å; F379-L403 HydrophobicContact CZ-CD2 4.39Å; F379-R406 HydrophobicContact CZ-CB 4Å; F379-K407 HydrophobicContact CD1-CB 4.46Å; F379-K407 HydrophobicContact CD1-CD 4.5Å; F379-K407 HydrophobicContact CE1-CB 4.2Å; F379-K407 HydrophobicContact CG-CD 4.39Å
380	Y	91.9	Very high	79.4	Confident	4 Å²	4	65.8 Å²	65.8	2%	0.016	34%	0.335	C	S	.	.	H	α-helix	trans	-86.7	-49.4	177.1	-60.7	-91.9	0	0	0	111.4	I191 R206 A229 N376 H377 R378 Y382 R383 M384 L403 T404	I191-Y380 VanDerWaalsContact CD1-CB 3.47Å; I191-Y380 HydrophobicContact CD1-CG 4.38Å; R206-Y380 VanDerWaalsContact CD-CD2 3.47Å; A229-Y380 HydrophobicContact CB-CE1 4.01Å; N376-Y380 WeakPolarHBondContact O-CD2 3.42Å; H377-Y380 PolarHBondContact O-N 2.88Å; H377-Y380 VanDerWaalsContact O-N 3.07Å; R378-Y380 PolarHBondContact O-N 3.42Å; Y380-Y382 VanDerWaalsContact C-N 3.34Å; Y380-Y382 PolarHBondContact O-N 2.82Å; Y380-R383 PolarHBondContact O-N 2.8Å; Y380-R383 VanDerWaalsContact O-N 3.15Å; Y380-M384 WeakPolarHBondContact O-CB 3.31Å; Y380-M384 WeakPolarHBondContact O-CG 3.41Å; Y380-M384 PolarHBondContact O-N 3.43Å; Y380-L403 HydrophobicContact CD1-CB 3.78Å; Y380-L403 HydrophobicContact CD1-CD1 4Å; Y380-L403 HydrophobicContact CE1-CB 3.71Å; Y380-T404 WeakPolarHBondContact CE1-OG1 3.46Å; Y380-T404 PolarHBondContact OH-OG1 3.37Å
381	S	90.2	Very high	79.3	Confident	16 Å²	16	65.3 Å²	65.3	11%	0.112	33%	0.331	C	S	.	.	H	α-helix	trans	-65.8	-34.9	-172.3	69.6	0	0	0	0	112.8	H377 R378 R383 M384 K385	H377-S381 PolarHBondContact O-N 2.7Å; H377-S381 PolarHBondContact O-OG 3.29Å; R378-S381 WeakPolarHBondContact CA-OG 3.44Å; R378-S381 PolarHBondContact O-N 3.12Å; S381-R383 VanDerWaalsContact C-N 3.26Å; S381-R383 PolarHBondContact O-N 3.5Å; S381-M384 PolarHBondContact O-N 3.01Å; S381-K385 VanDerWaalsContact O-CB 3.3Å; S381-K385 WeakPolarHBondContact O-CB 3.48Å; S381-K385 PolarHBondContact O-N 3.36Å
382	Y	90.2	Very high	79.7	Confident	158 Å²	158	66.3 Å²	66.3	62%	0.62	33%	0.332	S	S	*	.	H	α-helix	trans	-63.2	-35	176.4	-74.1	4.5	0	0	0	112.3	R378 Y380 R389	R378-Y382 HydrophobicContact CB-CD1 4.19Å; R378-Y382 HydrophobicContact CB-CD2 4.46Å; R378-Y382 HydrophobicContact CB-CE1 3.94Å; R378-Y382 HydrophobicContact CB-CE2 4.23Å; R378-Y382 HydrophobicContact CB-CG 4.46Å; R378-Y382 HydrophobicContact CG-CD1 4.48Å; R378-Y382 HydrophobicContact CG-CE1 3.85Å; R378-Y382 WeakPolarHBondContact O-CB 3.29Å; R378-Y382 VanDerWaalsContact O-CG 3.22Å; R378-Y382 PolarHBondContact O-N 3.22Å; Y380-Y382 VanDerWaalsContact C-N 3.34Å; Y380-Y382 PolarHBondContact O-N 2.82Å; Y382-R389 PolarHBondContact O-NH1 3.17Å; Y382-R389 VanDerWaalsContact O-NH1 3.17Å
383	R	89.4	Confident	80.4	Confident	11 Å²	11	68.7 Å²	68.7	4%	0.042	35%	0.351	C	S	.	.	H	α-helix	trans	-77.9	-40.5	175.7	-178.6	55	-172.4	84.2	-3.9	111.9	V126 A127 T129 Y380 S381 R389 M399 L403	V126-R383 PolarHBondContact O-NE 3.25Å; V126-R383 PolarHBondContact O-NH2 3.44Å; A127-R383 VanDerWaalsContact O-CD 3.3Å; A127-R383 WeakPolarHBondContact O-CD 3.5Å; A127-R383 WeakPolarHBondContact O-CG 3.26Å; T129-R383 PolarHBondContact O-NE 2.98Å; T129-R383 PolarHBondContact O-NH2 3.44Å; Y380-R383 PolarHBondContact O-N 2.8Å; Y380-R383 VanDerWaalsContact O-N 3.15Å; S381-R383 VanDerWaalsContact C-N 3.26Å; S381-R383 PolarHBondContact O-N 3.5Å; R383-R389 PolarHBondContact O-NH1 3.42Å; R383-R389 VanDerWaalsContact O-NH1 3.1Å; R383-M399 HydrophobicContact CG-CG 4.47Å; R383-M399 HydrophobicContact CG-SD 4.43Å; R383-L403 HydrophobicContact CB-CD1 4.1Å; R383-L403 HydrophobicContact CB-CD2 4.29Å; R383-L403 HydrophobicContact CG-CD1 4.13Å; R383-L403 HydrophobicContact CG-CD2 4.28Å
384	M	89.6	Confident	81.5	Confident	4 Å²	4	73 Å²	73	2%	0.02	37%	0.369	C	S	.	.	H	α-helix	trans	-95.3	-30.7	-164.8	-59.6	-62.8	-74.7	0	0	114.6	L193 Y380 S381 W391 M396 M399 V400 L403	L193-M384 HydrophobicContact CD1-CB 3.89Å; L193-M384 HydrophobicContact CD1-CE 3.77Å; L193-M384 HydrophobicContact CD1-CG 4.46Å; L193-M384 HydrophobicContact CD2-CB 3.69Å; L193-M384 HydrophobicContact CG-CB 4.49Å; Y380-M384 WeakPolarHBondContact O-CB 3.31Å; Y380-M384 WeakPolarHBondContact O-CG 3.41Å; Y380-M384 PolarHBondContact O-N 3.43Å; S381-M384 PolarHBondContact O-N 3.01Å; M384-W391 HydrophobicContact CE-CD2 4.06Å; M384-W391 HydrophobicContact CE-CE3 4.49Å; M384-W391 HydrophobicContact CE-CH2 4.3Å; M384-W391 HydrophobicContact CE-CZ2 3.85Å; M384-W391 PolarHBondContact O-NE1 3.11Å; M384-W391 HydrophobicContact SD-CH2 3.75Å; M384-W391 HydrophobicContact SD-CZ2 3.33Å; M384-W391 WeakPolarHBondContact SD-CZ2 3.48Å; M384-M396 HydrophobicContact CE-CB 4.43Å; M384-M396 HydrophobicContact CE-CG 3.72Å; M384-M399 HydrophobicContact CE-CB 4.19Å; M384-M399 HydrophobicContact CE-CG 4.26Å; M384-M399 HydrophobicContact SD-CB 3.98Å; M384-M399 HydrophobicContact SD-CG 3.39Å; M384-M399 WeakPolarHBondContact SD-CG 3.44Å; M384-V400 HydrophobicContact CE-CG2 4.18Å; M384-L403 HydrophobicContact CG-CD1 3.97Å; M384-L403 HydrophobicContact SD-CD1 4.04Å
385	K	85.2	Confident	82.6	Confident	83 Å²	83	68.4 Å²	68.4	36%	0.361	35%	0.348	S	S	.	.	S	Bend	trans	-91.2	162.2	179.4	-68	-170.3	174.7	173.7	0	112.5	I191 I192 L193 S381	I191-K385 HydrophobicContact CG2-CD 4.36Å; I191-K385 HydrophobicContact CG2-CG 4.35Å; I192-K385 WeakPolarHBondContact O-CE 3.27Å; L193-K385 HydrophobicContact CD2-CG 3.75Å; S381-K385 VanDerWaalsContact O-CB 3.3Å; S381-K385 WeakPolarHBondContact O-CB 3.48Å; S381-K385 PolarHBondContact O-N 3.36Å
386	R	70.9	Confident	83.3	Confident	221 Å²	221	63.6 Å²	63.6	83%	0.834	32%	0.318	S	S	*	.	S	Bend	trans	61.4	179.1	168.3	-61.7	-177	177	177.4	-0.8	115.1	R389	R386-R389 WeakPolarHBondContact O-CB 3.33Å; R386-R389 VanDerWaalsContact O-CD 3.31Å; R386-R389 WeakPolarHBondContact O-CD 3.35Å; R386-R389 VanDerWaalsContact O-CG 3.25Å; R386-R389 WeakPolarHBondContact O-CG 3.01Å
387	Q	63.8	Low	83.8	Confident	162 Å²	162	64.6 Å²	64.6	76%	0.757	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.3	37.3	174.9	-61.5	-108.5	-32.8	0	0	116.2	R389	Q387-R389 HydrophobicContact CB-CG 4.26Å; Q387-R389 PolarHBondContact O-N 2.92Å; Q387-R389 VanDerWaalsContact O-N 3.12Å
388	G	58.1	Low	84.4	Confident	83 Å²	83	65 Å²	65	86%	0.856	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.8	17.2	179.2	0	0	0	0	0	114.2
389	R	72.2	Confident	84.8	Confident	54 Å²	54	60 Å²	60	20%	0.204	30%	0.304	C	S	.	.			trans	-84.3	123.5	-176.2	-61.2	173.1	-173.9	171.8	2.9	109.9	Y382 R383 R386 Q387	Y382-R389 PolarHBondContact O-NH1 3.17Å; Y382-R389 VanDerWaalsContact O-NH1 3.17Å; R383-R389 PolarHBondContact O-NH1 3.42Å; R383-R389 VanDerWaalsContact O-NH1 3.1Å; R386-R389 WeakPolarHBondContact O-CB 3.33Å; R386-R389 VanDerWaalsContact O-CD 3.31Å; R386-R389 WeakPolarHBondContact O-CD 3.35Å; R386-R389 VanDerWaalsContact O-CG 3.25Å; R386-R389 WeakPolarHBondContact O-CG 3.01Å; Q387-R389 HydrophobicContact CB-CG 4.26Å; Q387-R389 PolarHBondContact O-N 2.92Å; Q387-R389 VanDerWaalsContact O-N 3.12Å
390	S	74	Confident	85.1	Confident	58 Å²	58	57 Å²	57	41%	0.406	29%	0.292	S	S	.	.			trans	-128.3	140.4	173.7	57.9	0	0	0	0	110	K196	K196-S390 WeakPolarHBondContact CE-O 3.49Å; K196-S390 VanDerWaalsContact CG-OG 3.29Å; K196-S390 WeakPolarHBondContact CG-OG 3.37Å
391	W	82.9	Confident	85.3	Confident	26 Å²	26	56.9 Å²	56.9	10%	0.098	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-111.3	145.1	-173.9	-58.6	90.3	0	0	0	110.9	K196 M384 M396 M399	K196-W391 PolarHBondContact N-O 3.24Å; M384-W391 HydrophobicContact CE-CD2 4.06Å; M384-W391 HydrophobicContact CE-CE3 4.49Å; M384-W391 HydrophobicContact CE-CH2 4.3Å; M384-W391 HydrophobicContact CE-CZ2 3.85Å; M384-W391 PolarHBondContact O-NE1 3.11Å; M384-W391 HydrophobicContact SD-CH2 3.75Å; M384-W391 HydrophobicContact SD-CZ2 3.33Å; M384-W391 WeakPolarHBondContact SD-CZ2 3.48Å; W391-M396 HydrophobicContact CB-CB 3.82Å; W391-M396 HydrophobicContact CB-CE 3.73Å; W391-M396 HydrophobicContact CG-CB 4.28Å; W391-M396 HydrophobicContact CG-CE 4.16Å; W391-M399 HydrophobicContact CH2-CB 3.93Å; W391-M399 HydrophobicContact CH2-CE 3.9Å; W391-M399 HydrophobicContact CH2-CG 3.65Å; W391-M399 HydrophobicContact CZ2-CG 4.45Å; W391-M399 HydrophobicContact CZ3-CB 3.76Å; W391-M399 HydrophobicContact CZ3-CE 4.18Å; W391-M399 HydrophobicContact CZ3-CG 4.02Å
392	S	86.1	Confident	85.7	Confident	54 Å²	54	56.1 Å²	56.1	38%	0.378	29%	0.286	S	S	.	.			trans	-73.4	156.1	153.5	55.7	0	0	0	0	108.5	E394 G395 M396	S392-E394 VanDerWaalsContact C-N 3.33Å; S392-E394 PolarHBondContact O-N 2.91Å; S392-G395 PolarHBondContact O-N 2.84Å; S392-G395 VanDerWaalsContact O-N 3.1Å; S392-G395 WeakPolarHBondContact OG-CA 3.28Å; S392-G395 PolarHBondContact OG-N 2.89Å; S392-G395 VanDerWaalsContact OG-N 3.11Å; S392-M396 WeakPolarHBondContact O-CB 3.48Å; S392-M396 PolarHBondContact O-N 3.18Å
393	S	87.2	Confident	86	Confident	83 Å²	83	48.6 Å²	48.6	58%	0.58	26%	0.256	S	S	*	.	H	α-helix	trans	-55.6	-48.4	178.6	-43.9	0	0	0	0	111.6	G395 M396 E397	S393-G395 PolarHBondContact O-N 3.17Å; S393-M396 WeakPolarHBondContact O-CB 3.21Å; S393-M396 PolarHBondContact O-N 3.31Å; S393-E397 PolarHBondContact O-N 2.95Å
394	E	89.9	Confident	86.4	Confident	103 Å²	103	48.1 Å²	48.1	48%	0.481	26%	0.255	S	S	.	.	H	α-helix	trans	-63	-41.7	175.7	-173.5	-169.4	-134.9	0	0	112.3	S392 M396 E397 Y398	S392-E394 VanDerWaalsContact C-N 3.33Å; S392-E394 PolarHBondContact O-N 2.91Å; E394-M396 VanDerWaalsContact C-N 3.29Å; E394-M396 PolarHBondContact O-N 3.21Å; E394-E397 PolarHBondContact O-N 2.8Å; E394-Y398 HydrophobicContact CG-CD2 3.59Å; E394-Y398 HydrophobicContact CG-CE2 3.25Å; E394-Y398 WeakPolarHBondContact O-CD2 3.39Å; E394-Y398 PolarHBondContact O-N 3.24Å; E394-Y398 WeakPolarHBondContact OE1-CE2 3.49Å
395	G	91	Very high	86.8	Confident	4 Å²	4	48 Å²	48	4%	0.041	25%	0.254	C	S	.	.	H	α-helix	trans	-64.3	-36.2	179.1	0	0	0	0	0	112.3	K155 S392 S393 M399	K155-G395 PolarHBondContact NZ-O 3.17Å; S392-G395 PolarHBondContact O-N 2.84Å; S392-G395 VanDerWaalsContact O-N 3.1Å; S392-G395 WeakPolarHBondContact OG-CA 3.28Å; S392-G395 PolarHBondContact OG-N 2.89Å; S392-G395 VanDerWaalsContact OG-N 3.11Å; S393-G395 PolarHBondContact O-N 3.17Å; G395-M399 WeakPolarHBondContact O-CB 3.42Å; G395-M399 PolarHBondContact O-N 3.05Å
396	M	91.5	Very high	87.3	Confident	1 Å²	1	47 Å²	47	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-66.6	-55.8	174.8	-174.9	179.1	-63.5	0	0	110.2	L193 N195 S202 V204 T231 M384 W391 S392 S393 E394 Y398 M399 V400	L193-M396 HydrophobicContact CB-CE 3.8Å; L193-M396 HydrophobicContact CB-SD 4.37Å; L193-M396 HydrophobicContact CD1-CE 3.88Å; L193-M396 HydrophobicContact CD1-CG 4Å; L193-M396 HydrophobicContact CD1-SD 3.72Å; N195-M396 WeakPolarHBondContact OD1-CE 3.33Å; S202-M396 VanDerWaalsContact CB-SD 3.57Å; V204-M396 HydrophobicContact CG2-CG 4.14Å; V204-M396 HydrophobicContact CG2-SD 4.01Å; T231-M396 HydrophobicContact CG2-CG 4.09Å; T231-M396 HydrophobicContact CG2-SD 4.08Å; M384-M396 HydrophobicContact CE-CB 4.43Å; M384-M396 HydrophobicContact CE-CG 3.72Å; W391-M396 HydrophobicContact CB-CB 3.82Å; W391-M396 HydrophobicContact CB-CE 3.73Å; W391-M396 HydrophobicContact CG-CB 4.28Å; W391-M396 HydrophobicContact CG-CE 4.16Å; S392-M396 WeakPolarHBondContact O-CB 3.48Å; S392-M396 PolarHBondContact O-N 3.18Å; S393-M396 WeakPolarHBondContact O-CB 3.21Å; S393-M396 PolarHBondContact O-N 3.31Å; E394-M396 VanDerWaalsContact C-N 3.29Å; E394-M396 PolarHBondContact O-N 3.21Å; M396-Y398 PolarHBondContact O-N 3.24Å; M396-M399 PolarHBondContact O-N 3.17Å; M396-V400 WeakPolarHBondContact O-CG2 3.42Å; M396-V400 PolarHBondContact O-N 3.46Å
397	E	94.2	Very high	88.5	Confident	39 Å²	39	39.3 Å²	39.3	18%	0.182	22%	0.22	C	C	.	.	H	α-helix	trans	-52.7	-52.9	-177.9	-178	-177	177.5	0	0	111.6	K163 T231 S393 E394 M399 V400 W401	K163-E397 IonicContact NZ-OE1 3.36Å; K163-E397 PolarHBondContact NZ-OE1 3.42Å; T231-E397 HydrophobicContact CG2-CB 4.34Å; S393-E397 PolarHBondContact O-N 2.95Å; E394-E397 PolarHBondContact O-N 2.8Å; E397-M399 VanDerWaalsContact C-N 3.29Å; E397-M399 PolarHBondContact O-N 3.22Å; E397-V400 WeakPolarHBondContact O-CB 3.46Å; E397-V400 PolarHBondContact O-N 3.39Å; E397-V400 VanDerWaalsContact O-N 3.13Å; E397-W401 PolarHBondContact O-N 2.84Å; E397-W401 VanDerWaalsContact O-N 3.09Å
398	Y	96.4	Very high	90	Very high	32 Å²	32	32.6 Å²	32.6	13%	0.125	19%	0.19	C	C	.	.	H	α-helix	trans	-68.5	-26.6	-178.9	-67.6	-35.1	0	0	0	113.8	N156 G159 K160 E394 M396 V402	N156-Y398 HydrophobicContact CB-CD2 3.68Å; N156-Y398 HydrophobicContact CB-CE2 4.27Å; G159-Y398 WeakPolarHBondContact CA-O 3.32Å; K160-Y398 HydrophobicContact CB-CD1 4.35Å; K160-Y398 HydrophobicContact CB-CE1 3.87Å; K160-Y398 HydrophobicContact CG-CE1 4.42Å; E394-Y398 HydrophobicContact CG-CD2 3.59Å; E394-Y398 HydrophobicContact CG-CE2 3.25Å; E394-Y398 WeakPolarHBondContact O-CD2 3.39Å; E394-Y398 PolarHBondContact O-N 3.24Å; E394-Y398 WeakPolarHBondContact OE1-CE2 3.49Å; M396-Y398 PolarHBondContact O-N 3.24Å; Y398-V402 WeakPolarHBondContact O-CG2 3.33Å; Y398-V402 PolarHBondContact O-N 2.91Å; Y398-V402 VanDerWaalsContact O-N 3.12Å
399	M	95.9	Very high	91.8	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-70.4	-40.2	171.8	-176.7	58.7	75.1	0	0	111.3	V126 K155 R383 M384 W391 G395 M396 E397 W401 V402 L403	V126-M399 HydrophobicContact CG1-CE 4.38Å; V126-M399 HydrophobicContact CG2-CE 4.16Å; K155-M399 HydrophobicContact CD-CB 4.18Å; K155-M399 HydrophobicContact CD-CE 3.73Å; K155-M399 HydrophobicContact CD-SD 4.33Å; K155-M399 HydrophobicContact CG-CE 3.64Å; K155-M399 HydrophobicContact CG-SD 4.37Å; R383-M399 HydrophobicContact CG-CG 4.47Å; R383-M399 HydrophobicContact CG-SD 4.43Å; M384-M399 HydrophobicContact CE-CB 4.19Å; M384-M399 HydrophobicContact CE-CG 4.26Å; M384-M399 HydrophobicContact SD-CB 3.98Å; M384-M399 HydrophobicContact SD-CG 3.39Å; M384-M399 WeakPolarHBondContact SD-CG 3.44Å; W391-M399 HydrophobicContact CH2-CB 3.93Å; W391-M399 HydrophobicContact CH2-CE 3.9Å; W391-M399 HydrophobicContact CH2-CG 3.65Å; W391-M399 HydrophobicContact CZ2-CG 4.45Å; W391-M399 HydrophobicContact CZ3-CB 3.76Å; W391-M399 HydrophobicContact CZ3-CE 4.18Å; W391-M399 HydrophobicContact CZ3-CG 4.02Å; G395-M399 WeakPolarHBondContact O-CB 3.42Å; G395-M399 PolarHBondContact O-N 3.05Å; M396-M399 PolarHBondContact O-N 3.17Å; E397-M399 VanDerWaalsContact C-N 3.29Å; E397-M399 PolarHBondContact O-N 3.22Å; M399-W401 VanDerWaalsContact C-N 3.32Å; M399-W401 PolarHBondContact O-N 3.49Å; M399-V402 PolarHBondContact O-N 3.17Å; M399-V402 HydrophobicContact SD-CB 4.46Å; M399-V402 HydrophobicContact SD-CG1 4.4Å; M399-L403 HydrophobicContact CG-CD1 4Å; M399-L403 HydrophobicContact CG-CG 4.3Å; M399-L403 VanDerWaalsContact O-CG 3.31Å; M399-L403 WeakPolarHBondContact O-CG 3.42Å; M399-L403 PolarHBondContact O-N 2.94Å; M399-L403 HydrophobicContact SD-CD1 4.48Å; M399-L403 HydrophobicContact SD-CG 4.23Å
400	V	95.8	Very high	92.9	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.006	18%	0.178	C	C	.	.	H	α-helix	trans	-57.1	-48.3	175.3	174.1	0	0	0	0	110.2	V204 A229 M384 M396 E397 V402 L403 T404	V204-V400 HydrophobicContact CB-CG2 4.31Å; V204-V400 HydrophobicContact CG1-CB 4.45Å; V204-V400 HydrophobicContact CG1-CG1 3.85Å; V204-V400 HydrophobicContact CG1-CG2 3.65Å; V204-V400 HydrophobicContact CG2-CG2 3.62Å; A229-V400 HydrophobicContact CB-CG1 3.36Å; M384-V400 HydrophobicContact CE-CG2 4.18Å; M396-V400 WeakPolarHBondContact O-CG2 3.42Å; M396-V400 PolarHBondContact O-N 3.46Å; E397-V400 WeakPolarHBondContact O-CB 3.46Å; E397-V400 PolarHBondContact O-N 3.39Å; E397-V400 VanDerWaalsContact O-N 3.13Å; V400-V402 PolarHBondContact O-N 2.99Å; V400-L403 PolarHBondContact O-N 3.37Å; V400-L403 VanDerWaalsContact O-N 3.13Å; V400-T404 PolarHBondContact O-N 3.4Å; V400-T404 PolarHBondContact O-OG1 3.25Å; V400-T404 VanDerWaalsContact O-OG1 3.07Å
401	W	97.6	Very high	94.1	Very high	1 Å²	1	32.5 Å²	32.5	0%	0.004	16%	0.161	C	C	.	.	H	α-helix	trans	-61.7	-39	176.9	-74.4	109.2	0	0	0	113.9	A162 K163 E166 M239 E397 M399 A405	A162-W401 HydrophobicContact CB-CB 4.04Å; K163-W401 HydrophobicContact CB-CD2 3.75Å; K163-W401 HydrophobicContact CB-CE3 4.37Å; K163-W401 HydrophobicContact CB-CG 3.8Å; K163-W401 HydrophobicContact CB-CZ2 4.38Å; K163-W401 HydrophobicContact CD-CZ2 4.23Å; K163-W401 HydrophobicContact CG-CD2 4.09Å; K163-W401 HydrophobicContact CG-CG 4.44Å; K163-W401 HydrophobicContact CG-CH2 4.45Å; K163-W401 HydrophobicContact CG-CZ2 3.79Å; E166-W401 HydrophobicContact CB-CE3 4.22Å; E166-W401 HydrophobicContact CB-CH2 4.46Å; E166-W401 HydrophobicContact CB-CZ3 3.6Å; E166-W401 HydrophobicContact CG-CE3 4.2Å; E166-W401 HydrophobicContact CG-CZ3 3.98Å; M239-W401 HydrophobicContact CE-CH2 3.53Å; M239-W401 HydrophobicContact CE-CZ3 4.06Å; M239-W401 HydrophobicContact SD-CH2 3.66Å; M239-W401 HydrophobicContact SD-CZ3 4.1Å; E397-W401 PolarHBondContact O-N 2.84Å; E397-W401 VanDerWaalsContact O-N 3.09Å; M399-W401 VanDerWaalsContact C-N 3.32Å; M399-W401 PolarHBondContact O-N 3.49Å; W401-A405 VanDerWaalsContact O-CB 3.29Å; W401-A405 WeakPolarHBondContact O-CB 3.48Å; W401-A405 PolarHBondContact O-N 3.38Å
402	V	98	Very high	94.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-61.6	-45.9	173	163	0	0	0	0	111	V123 A127 K155 A158 Y398 M399 V400 A405 R406	V123-V402 HydrophobicContact CG1-CB 4.31Å; V123-V402 HydrophobicContact CG1-CG1 3.39Å; V123-V402 HydrophobicContact CG1-CG2 3.87Å; A127-V402 HydrophobicContact CB-CG1 3.93Å; K155-V402 HydrophobicContact CG-CG2 4.38Å; A158-V402 HydrophobicContact CB-CG2 4.23Å; Y398-V402 WeakPolarHBondContact O-CG2 3.33Å; Y398-V402 PolarHBondContact O-N 2.91Å; Y398-V402 VanDerWaalsContact O-N 3.12Å; M399-V402 PolarHBondContact O-N 3.17Å; M399-V402 HydrophobicContact SD-CB 4.46Å; M399-V402 HydrophobicContact SD-CG1 4.4Å; V400-V402 PolarHBondContact O-N 2.99Å; V402-A405 PolarHBondContact O-N 2.86Å; V402-R406 WeakPolarHBondContact O-CG 3.46Å; V402-R406 PolarHBondContact O-N 2.97Å
403	L	97.1	Very high	95.1	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-64.1	-45.6	179.7	-69.3	170.2	0	0	0	111	A127 F379 Y380 R383 M384 M399 V400 A405 R406 K407	A127-L403 HydrophobicContact CB-CD2 4.14Å; F379-L403 HydrophobicContact CD1-CB 4.39Å; F379-L403 HydrophobicContact CD1-CD2 4.38Å; F379-L403 HydrophobicContact CE1-CB 3.92Å; F379-L403 HydrophobicContact CE1-CD2 3.8Å; F379-L403 HydrophobicContact CE1-CG 4.48Å; F379-L403 VanDerWaalsContact CE1-O 3.27Å; F379-L403 WeakPolarHBondContact CE1-O 3.21Å; F379-L403 HydrophobicContact CZ-CD2 4.39Å; Y380-L403 HydrophobicContact CD1-CB 3.78Å; Y380-L403 HydrophobicContact CD1-CD1 4Å; Y380-L403 HydrophobicContact CE1-CB 3.71Å; R383-L403 HydrophobicContact CB-CD1 4.1Å; R383-L403 HydrophobicContact CB-CD2 4.29Å; R383-L403 HydrophobicContact CG-CD1 4.13Å; R383-L403 HydrophobicContact CG-CD2 4.28Å; M384-L403 HydrophobicContact CG-CD1 3.97Å; M384-L403 HydrophobicContact SD-CD1 4.04Å; M399-L403 HydrophobicContact CG-CD1 4Å; M399-L403 HydrophobicContact CG-CG 4.3Å; M399-L403 VanDerWaalsContact O-CG 3.31Å; M399-L403 WeakPolarHBondContact O-CG 3.42Å; M399-L403 PolarHBondContact O-N 2.94Å; M399-L403 HydrophobicContact SD-CD1 4.48Å; M399-L403 HydrophobicContact SD-CG 4.23Å; V400-L403 PolarHBondContact O-N 3.37Å; V400-L403 VanDerWaalsContact O-N 3.13Å; L403-A405 PolarHBondContact O-N 3.45Å; L403-R406 PolarHBondContact O-N 3.43Å; L403-K407 WeakPolarHBondContact O-CB 3.24Å; L403-K407 PolarHBondContact O-N 3.31Å
404	T	96.9	Very high	95.6	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.006	15%	0.148	C	C	.	.	H	α-helix	trans	-61.4	-44.7	176.4	-57.3	0	0	0	0	111.7	C227 A229 Y380 V400 R406 K407 N408	C227-T404 WeakPolarHBondContact O-CG2 3.4Å; A229-T404 WeakPolarHBondContact CB-OG1 3.37Å; Y380-T404 WeakPolarHBondContact CE1-OG1 3.46Å; Y380-T404 PolarHBondContact OH-OG1 3.37Å; V400-T404 PolarHBondContact O-N 3.4Å; V400-T404 PolarHBondContact O-OG1 3.25Å; V400-T404 VanDerWaalsContact O-OG1 3.07Å; T404-R406 VanDerWaalsContact C-N 3.31Å; T404-R406 PolarHBondContact O-N 3.39Å; T404-K407 PolarHBondContact O-N 2.9Å; T404-K407 VanDerWaalsContact O-N 3.14Å; T404-N408 WeakPolarHBondContact O-CB 3.28Å; T404-N408 PolarHBondContact O-N 3.07Å
405	A	97.5	Very high	95.8	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-63.8	-35.3	176.5	0	0	0	0	0	112.7	A162 W401 V402 L403 K409 T410 L411	A162-A405 HydrophobicContact CB-CB 3.92Å; W401-A405 VanDerWaalsContact O-CB 3.29Å; W401-A405 WeakPolarHBondContact O-CB 3.48Å; W401-A405 PolarHBondContact O-N 3.38Å; V402-A405 PolarHBondContact O-N 2.86Å; L403-A405 PolarHBondContact O-N 3.45Å; A405-K409 CarbonylContact O-C 3.49Å; A405-K409 PolarHBondContact O-N 2.86Å; A405-T410 WeakPolarHBondContact CA-OG1 3.35Å; A405-T410 PolarHBondContact O-N 3.35Å; A405-T410 PolarHBondContact O-OG1 3Å; A405-L411 HydrophobicContact CB-CB 4.29Å; A405-L411 HydrophobicContact CB-CD1 4.49Å; A405-L411 PolarHBondContact O-N 2.66Å
406	R	97	Very high	96	Very high	64 Å²	64	29.5 Å²	29.5	24%	0.242	14%	0.138	C	C	.	.	H	α-helix	trans	-66	-43.9	171.8	-73.6	177.8	70.3	-144	3.3	111.6	A127 F379 V402 L403 T404 N408 K409 L411	A127-R406 PolarHBondContact O-NH1 2.92Å; F379-R406 HydrophobicContact CZ-CB 4Å; V402-R406 WeakPolarHBondContact O-CG 3.46Å; V402-R406 PolarHBondContact O-N 2.97Å; L403-R406 PolarHBondContact O-N 3.43Å; T404-R406 VanDerWaalsContact C-N 3.31Å; T404-R406 PolarHBondContact O-N 3.39Å; R406-N408 VanDerWaalsContact C-N 3.34Å; R406-N408 PolarHBondContact O-N 2.9Å; R406-K409 PolarHBondContact O-N 3.44Å; R406-K409 VanDerWaalsContact O-N 3.15Å; R406-L411 HydrophobicContact CG-CD2 3.95Å
407	K	94.8	Very high	96	Very high	58 Å²	58	30.4 Å²	30.4	25%	0.252	14%	0.142	S	C	.	.	H	α-helix	trans	-63.3	-41.5	179.8	-171	63.7	174.1	178.9	0	111.5	C227 N376 F379 L403 T404 K409	C227-K407 HydrophobicContact CB-CG 4.08Å; C227-K407 VanDerWaalsContact SG-CG 3.59Å; N376-K407 VanDerWaalsContact OD1-CE 3.3Å; N376-K407 WeakPolarHBondContact OD1-CE 3.38Å; N376-K407 PolarHBondContact OD1-NZ 3.38Å; F379-K407 HydrophobicContact CD1-CB 4.46Å; F379-K407 HydrophobicContact CD1-CD 4.5Å; F379-K407 HydrophobicContact CE1-CB 4.2Å; F379-K407 HydrophobicContact CG-CD 4.39Å; L403-K407 WeakPolarHBondContact O-CB 3.24Å; L403-K407 PolarHBondContact O-N 3.31Å; T404-K407 PolarHBondContact O-N 2.9Å; T404-K407 VanDerWaalsContact O-N 3.14Å; K407-K409 VanDerWaalsContact C-N 3.28Å; K407-K409 PolarHBondContact O-N 2.92Å
408	N	95.4	Very high	95.5	Very high	22 Å²	22	31.6 Å²	31.6	12%	0.118	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-3.3	176.4	-67.1	-15.2	0	0	0	113.7	C227 T404 R406 T410	C227-N408 PolarHBondContact N-OD1 2.91Å; C227-N408 PolarHBondContact O-ND2 3.45Å; C227-N408 PolarHBondContact O-OD1 3.09Å; T404-N408 WeakPolarHBondContact O-CB 3.28Å; T404-N408 PolarHBondContact O-N 3.07Å; R406-N408 VanDerWaalsContact C-N 3.34Å; R406-N408 PolarHBondContact O-N 2.9Å; N408-T410 VanDerWaalsContact C-N 3.27Å; N408-T410 HydrophobicContact CB-CG2 4.07Å; N408-T410 PolarHBondContact O-N 2.99Å
409	K	96.3	Very high	94.3	Very high	174 Å²	174	35.1 Å²	35.1	76%	0.757	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.2	37.3	-175	-54.5	176	-177.1	171.4	0	113.4	A405 R406 K407 Q413	A405-K409 CarbonylContact O-C 3.49Å; A405-K409 PolarHBondContact O-N 2.86Å; R406-K409 PolarHBondContact O-N 3.44Å; R406-K409 VanDerWaalsContact O-N 3.15Å; K407-K409 VanDerWaalsContact C-N 3.28Å; K407-K409 PolarHBondContact O-N 2.92Å; K409-Q413 PolarHBondContact O-OE1 2.84Å
410	T	96.4	Very high	93.3	Very high	10 Å²	10	40.4 Å²	40.4	6%	0.061	21%	0.211	C	C	.	.			trans	-110.8	-0.3	-178.6	53.9	0	0	0	0	114.2	Y165 E166 A405 N408 T412 Q413 A414	Y165-T410 HydrophobicContact CE1-CG2 3.94Å; E166-T410 WeakPolarHBondContact OE1-CB 3.45Å; E166-T410 PolarHBondContact OE1-OG1 3.41Å; A405-T410 WeakPolarHBondContact CA-OG1 3.35Å; A405-T410 PolarHBondContact O-N 3.35Å; A405-T410 PolarHBondContact O-OG1 3Å; N408-T410 VanDerWaalsContact C-N 3.27Å; N408-T410 HydrophobicContact CB-CG2 4.07Å; N408-T410 PolarHBondContact O-N 2.99Å; T410-T412 VanDerWaalsContact C-N 3.34Å; T410-T412 PolarHBondContact O-N 2.85Å; T410-Q413 PolarHBondContact O-N 3.48Å; T410-Q413 PolarHBondContact O-OE1 3.46Å; T410-A414 WeakPolarHBondContact O-CB 3.23Å; T410-A414 PolarHBondContact O-N 2.84Å
411	L	97.5	Very high	92.3	Very high	9 Å²	9	41.8 Å²	41.8	5%	0.047	23%	0.226	C	C	.	.	H	α-helix	trans	-56.1	-44.2	-176.2	-179.8	61.9	0	0	0	112.9	E120 V123 E124 A405 R406 A414 L415	E120-L411 HydrophobicContact CG-CD2 4.48Å; V123-L411 HydrophobicContact CG1-CD1 4.29Å; V123-L411 HydrophobicContact CG1-CD2 4.07Å; E124-L411 HydrophobicContact CG-CD2 4.35Å; A405-L411 HydrophobicContact CB-CB 4.29Å; A405-L411 HydrophobicContact CB-CD1 4.49Å; A405-L411 PolarHBondContact O-N 2.66Å; R406-L411 HydrophobicContact CG-CD2 3.95Å; L411-A414 PolarHBondContact O-N 3.02Å; L411-L415 HydrophobicContact CD1-CD1 4.45Å; L411-L415 HydrophobicContact CD1-CG 4.43Å; L411-L415 HydrophobicContact CG-CD1 4.32Å; L411-L415 WeakPolarHBondContact O-CG 3.26Å; L411-L415 PolarHBondContact O-N 3.39Å
412	T	96.4	Very high	91.3	Very high	62 Å²	62	48.8 Å²	48.8	38%	0.38	26%	0.256	S	S	.	.	H	α-helix	trans	-62.5	-46.9	178.4	-45	0	0	0	0	111.1	E120 T410 A414 L415 L416	E120-T412 WeakPolarHBondContact OE1-CB 3.41Å; E120-T412 PolarHBondContact OE1-OG1 2.98Å; T410-T412 VanDerWaalsContact C-N 3.34Å; T410-T412 PolarHBondContact O-N 2.85Å; T412-A414 VanDerWaalsContact C-N 3.32Å; T412-A414 PolarHBondContact O-N 3.3Å; T412-L415 PolarHBondContact O-N 3.01Å; T412-L416 HydrophobicContact CG2-CD1 4.04Å; T412-L416 VanDerWaalsContact O-CG 3.24Å; T412-L416 WeakPolarHBondContact O-CG 3.15Å; T412-L416 PolarHBondContact O-N 2.65Å
413	Q	95	Very high	90.4	Very high	84 Å²	84	51.8 Å²	51.8	39%	0.393	28%	0.277	S	S	.	.	H	α-helix	trans	-62.3	-41.8	178.3	-67.3	78.9	-3.7	0	0	110.7	Y165 K409 T410 L416 Y417	Y165-Q413 HydrophobicContact CE1-CB 4.2Å; Y165-Q413 HydrophobicContact CE2-CB 3.83Å; K409-Q413 PolarHBondContact O-OE1 2.84Å; T410-Q413 PolarHBondContact O-N 3.48Å; T410-Q413 PolarHBondContact O-OE1 3.46Å; Q413-L416 CarbonylContact O-C 3.56Å; Q413-L416 PolarHBondContact O-N 2.95Å; Q413-Y417 WeakPolarHBondContact O-CB 3.34Å; Q413-Y417 PolarHBondContact O-N 3.18Å
414	A	96.2	Very high	89.8	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-61.5	-43.6	174.9	0	0	0	0	0	112.4	A162 Y165 T410 L411 T412 L416 Y417	A162-A414 HydrophobicContact CB-CB 4.26Å; Y165-A414 HydrophobicContact CD1-CB 4.06Å; Y165-A414 HydrophobicContact CG-CB 3.96Å; T410-A414 WeakPolarHBondContact O-CB 3.23Å; T410-A414 PolarHBondContact O-N 2.84Å; L411-A414 PolarHBondContact O-N 3.02Å; T412-A414 VanDerWaalsContact C-N 3.32Å; T412-A414 PolarHBondContact O-N 3.3Å; A414-L416 VanDerWaalsContact C-N 3.28Å; A414-L416 PolarHBondContact O-N 3.04Å; A414-Y417 WeakPolarHBondContact O-CB 3.3Å; A414-Y417 PolarHBondContact O-N 2.91Å
415	L	96	Very high	89	Confident	4 Å²	4	62 Å²	62	2%	0.021	32%	0.321	C	S	.	.	H	α-helix	trans	-64.3	-33.2	176	-74.3	173.1	0	0	0	112.5	I119 E120 Y157 A158 K161 L411 T412 Y417	I119-L415 HydrophobicContact CG2-CD2 3.9Å; E120-L415 HydrophobicContact CB-CD1 3.64Å; E120-L415 HydrophobicContact CG-CD1 4.19Å; Y157-L415 HydrophobicContact CE1-CD2 4.21Å; A158-L415 HydrophobicContact CB-CD2 3.99Å; K161-L415 HydrophobicContact CD-CD2 4.44Å; K161-L415 PolarHBondContact NZ-O 3.35Å; L411-L415 HydrophobicContact CD1-CD1 4.45Å; L411-L415 HydrophobicContact CD1-CG 4.43Å; L411-L415 HydrophobicContact CG-CD1 4.32Å; L411-L415 WeakPolarHBondContact O-CG 3.26Å; L411-L415 PolarHBondContact O-N 3.39Å; T412-L415 PolarHBondContact O-N 3.01Å; L415-Y417 VanDerWaalsContact C-N 3.35Å
416	L	94.5	Very high	88.3	Confident	57 Å²	57	66.7 Å²	66.7	30%	0.298	34%	0.341	S	S	.	.	H	α-helix	trans	-82.3	-11.7	177.2	-64.1	169.6	0	0	0	113.5	L116 T412 Q413 A414 Y424	L116-L416 HydrophobicContact CD1-CD2 3.92Å; T412-L416 HydrophobicContact CG2-CD1 4.04Å; T412-L416 VanDerWaalsContact O-CG 3.24Å; T412-L416 WeakPolarHBondContact O-CG 3.15Å; T412-L416 PolarHBondContact O-N 2.65Å; Q413-L416 CarbonylContact O-C 3.56Å; Q413-L416 PolarHBondContact O-N 2.95Å; A414-L416 VanDerWaalsContact C-N 3.28Å; A414-L416 PolarHBondContact O-N 3.04Å; L416-Y424 HydrophobicContact CD2-CD1 3.76Å; L416-Y424 HydrophobicContact CD2-CG 4.4Å; L416-Y424 WeakPolarHBondContact O-CB 3.39Å; L416-Y424 PolarHBondContact O-N 3.42Å
417	Y	91.8	Very high	87.7	Confident	20 Å²	20	69 Å²	69	8%	0.078	36%	0.356	C	S	.	.	B	Isolated β-bridge	trans	-75.4	132.1	-179.2	-173.5	-113.1	0	0	0	111.4	A164 Y165 A168 Q413 A414 L415 G421	A164-Y417 HydrophobicContact CB-CE1 4.46Å; Y165-Y417 HydrophobicContact CD2-CD1 4.4Å; Y165-Y417 AromaticContact CD2-CD2 3.95Å; Y165-Y417 HydrophobicContact CD2-CD2 3.95Å; Y165-Y417 AromaticContact CD2-CG 3.8Å; Y165-Y417 HydrophobicContact CD2-CG 3.8Å; Y165-Y417 HydrophobicContact CG-CG 4.49Å; A168-Y417 HydrophobicContact CB-CE1 4.1Å; A168-Y417 HydrophobicContact CB-CE2 4.42Å; A168-Y417 WeakPolarHBondContact CB-OH 3.46Å; Q413-Y417 WeakPolarHBondContact O-CB 3.34Å; Q413-Y417 PolarHBondContact O-N 3.18Å; A414-Y417 WeakPolarHBondContact O-CB 3.3Å; A414-Y417 PolarHBondContact O-N 2.91Å; L415-Y417 VanDerWaalsContact C-N 3.35Å; Y417-G421 WeakPolarHBondContact OH-CA 3.24Å
418	H	83.9	Confident	87.4	Confident	64 Å²	64	69 Å²	69	30%	0.296	36%	0.359	S	S	.	.			trans	-100.4	148.6	169.3	-58.6	-60.8	0	0	0	110.2	N420 G421 K422	H418-N420 VanDerWaalsContact CB-OD1 3.31Å; H418-N420 WeakPolarHBondContact CB-OD1 3.3Å; H418-N420 PolarHBondContact O-N 3.24Å; H418-G421 PolarHBondContact O-N 3.04Å; H418-K422 WeakPolarHBondContact CB-O 3.24Å; H418-K422 PolarHBondContact CD2-O 2.72Å; H418-K422 PolarHBondContact N-O 3.19Å; H418-K422 VanDerWaalsContact N-O 3.12Å
419	A	70.4	Confident	87.2	Confident	106 Å²	106	79 Å²	79	88%	0.876	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-7.8	-179	0	0	0	0	0	114.8	G421	A419-G421 VanDerWaalsContact C-N 3.33Å
420	N	75.9	Confident	87	Confident	110 Å²	110	71.5 Å²	71.5	59%	0.588	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	17.8	177.6	66.3	4	0	0	0	113.3	H418 K422	H418-N420 VanDerWaalsContact CB-OD1 3.31Å; H418-N420 WeakPolarHBondContact CB-OD1 3.3Å; H418-N420 PolarHBondContact O-N 3.24Å; N420-K422 PolarHBondContact O-N 3.49Å; N420-K422 WeakPolarHBondContact OD1-CB 3.39Å; N420-K422 PolarHBondContact OD1-N 3.1Å
421	G	74.3	Confident	86.9	Confident	31 Å²	31	71.2 Å²	71.2	32%	0.32	36%	0.363	S	S	.	.	S	Bend	trans	79.7	-9.7	-177.9	0	0	0	0	0	114.8	Y417 H418 A419	Y417-G421 WeakPolarHBondContact OH-CA 3.24Å; H418-G421 PolarHBondContact O-N 3.04Å; A419-G421 VanDerWaalsContact C-N 3.33Å
422	K	75.8	Confident	86.7	Confident	148 Å²	148	75.9 Å²	75.9	64%	0.643	39%	0.385	S	S	*	.	P	Polyproline II helix	trans	-97.7	127.2	-175.5	-60	-177.6	-178.6	177.7	0	110.8	H418 N420	H418-K422 WeakPolarHBondContact CB-O 3.24Å; H418-K422 PolarHBondContact CD2-O 2.72Å; H418-K422 PolarHBondContact N-O 3.19Å; H418-K422 VanDerWaalsContact N-O 3.12Å; N420-K422 PolarHBondContact O-N 3.49Å; N420-K422 WeakPolarHBondContact OD1-CB 3.39Å; N420-K422 PolarHBondContact OD1-N 3.1Å
423	S	80.1	Confident	86.7	Confident	63 Å²	63	78.2 Å²	78.2	44%	0.441	39%	0.389	S	S	.	.	B	Isolated β-bridge	trans	-73.3	143.9	166.4	-57.2	0	0	0	0	110.9	K425	S423-K425 PolarHBondContact O-N 3.26Å
424	Y	83.3	Confident	86.7	Confident	43 Å²	43	74.2 Å²	74.2	17%	0.169	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-53.3	129.4	170.5	169.3	-99.9	0	0	0	111.1	C104 K105 M106 G107 L416 K426	C104-Y424 WeakPolarHBondContact O-CE2 3.45Å; K105-Y424 PolarHBondContact O-OH 2.93Å; M106-Y424 WeakPolarHBondContact CA-OH 3.42Å; M106-Y424 PolarHBondContact O-OH 3.37Å; G107-Y424 VanDerWaalsContact CA-CE2 3.42Å; G107-Y424 PolarHBondContact N-OH 3Å; G107-Y424 VanDerWaalsContact N-OH 3.1Å; L416-Y424 HydrophobicContact CD2-CD1 3.76Å; L416-Y424 HydrophobicContact CD2-CG 4.4Å; L416-Y424 WeakPolarHBondContact O-CB 3.39Å; L416-Y424 PolarHBondContact O-N 3.42Å; Y424-K426 HydrophobicContact CE1-CB 3.76Å; Y424-K426 WeakPolarHBondContact OH-CB 3.47Å
425	K	80.7	Confident	86.6	Confident	174 Å²	174	75.6 Å²	75.6	76%	0.757	38%	0.379	S	S	*	.			trans	-122	110.8	172.3	-68.7	-174.7	-179.2	-177.7	0	109.3	S423	S423-K425 PolarHBondContact O-N 3.26Å
426	K	82.4	Confident	86.6	Confident	98 Å²	98	77.2 Å²	77.2	43%	0.426	39%	0.389	S	S	.	.	S	Bend	trans	-63.6	-51.3	178.4	-177.1	168.9	-173.5	-178.7	0	112.3	K105 Y424 D428 M431	K105-K426 WeakPolarHBondContact O-CG 3.32Å; Y424-K426 HydrophobicContact CE1-CB 3.76Å; Y424-K426 WeakPolarHBondContact OH-CB 3.47Å; K426-D428 PolarHBondContact O-N 3.22Å; K426-M431 WeakPolarHBondContact O-CB 3.48Å; K426-M431 WeakPolarHBondContact O-CG 3.41Å
427	M	84.9	Confident	86.6	Confident	112 Å²	112	77.1 Å²	77.1	55%	0.552	39%	0.387	S	S	*	.			trans	-95.2	79.2	-170.3	-163.8	63.9	69.4	0	0	111.1	M431 H432	M427-M431 HydrophobicContact SD-CB 4.34Å; M427-M431 HydrophobicContact SD-CG 4.09Å; M427-H432 HydrophobicContact CG-CB 4.28Å; M427-H432 VanDerWaalsContact SD-CA 3.57Å; M427-H432 HydrophobicContact SD-CB 3.78Å
428	D	88.2	Confident	86.7	Confident	58 Å²	58	76.5 Å²	76.5	31%	0.31	39%	0.386	S	S	.	.			trans	-91.6	177.1	165.8	78.1	-9.8	0	0	0	111.7	K105 K426 A430 M431 H432	K105-D428 WeakPolarHBondContact CE-OD1 3.44Å; K105-D428 VanDerWaalsContact NZ-CG 3.29Å; K105-D428 IonicContact NZ-OD1 3.54Å; K105-D428 PolarHBondContact NZ-OD1 2.81Å; K105-D428 IonicContact NZ-OD2 2.84Å; K105-D428 PolarHBondContact NZ-OD2 3.27Å; K426-D428 PolarHBondContact O-N 3.22Å; D428-A430 PolarHBondContact O-N 2.96Å; D428-A430 PolarHBondContact OD1-N 3.42Å; D428-M431 PolarHBondContact O-N 3.21Å; D428-M431 WeakPolarHBondContact OD1-CB 3.43Å; D428-M431 PolarHBondContact OD1-N 3.31Å; D428-H432 WeakPolarHBondContact O-CB 3.17Å; D428-H432 PolarHBondContact O-N 3.12Å
429	R	91.2	Very high	87.1	Confident	232 Å²	232	79 Å²	79	88%	0.875	40%	0.398	S	S	*	.	H	α-helix	trans	-56.9	-36.5	-177	-170.1	176.8	-176.8	-179	1.6	112.8	K433	R429-K433 WeakPolarHBondContact O-CB 3.36Å; R429-K433 PolarHBondContact O-N 3.43Å; R429-K433 VanDerWaalsContact O-N 3.12Å
430	A	92.3	Very high	88.1	Confident	16 Å²	16	82 Å²	82	13%	0.132	39%	0.387	C	S	.	.	H	α-helix	trans	-71.6	-46.6	179.9	0	0	0	0	0	111.4	I62 D428 K433 A434	I62-A430 VanDerWaalsContact CD1-O 3.28Å; I62-A430 WeakPolarHBondContact CD1-O 3.45Å; I62-A430 HydrophobicContact CG2-CB 4.48Å; D428-A430 PolarHBondContact O-N 2.96Å; D428-A430 PolarHBondContact OD1-N 3.42Å; A430-K433 PolarHBondContact O-N 3.23Å; A430-A434 WeakPolarHBondContact O-CB 3.32Å; A430-A434 PolarHBondContact O-N 2.93Å
431	M	93.4	Very high	88.7	Confident	4 Å²	4	82.6 Å²	82.6	2%	0.02	38%	0.381	C	S	.	.	H	α-helix	trans	-62.2	-45.6	176.8	-173.7	61.8	176.3	0	0	111.4	I55 K105 M106 K426 M427 D428 K433 A434 V435	I55-M431 HydrophobicContact CD1-CE 4.27Å; I55-M431 HydrophobicContact CG2-CE 3.96Å; I55-M431 HydrophobicContact CG2-SD 3.91Å; K105-M431 HydrophobicContact CB-CG 4.4Å; K105-M431 HydrophobicContact CB-SD 3.73Å; K105-M431 HydrophobicContact CD-CB 4.25Å; K105-M431 HydrophobicContact CG-CB 4.25Å; K105-M431 HydrophobicContact CG-SD 4.03Å; M106-M431 HydrophobicContact SD-CE 4.33Å; K426-M431 WeakPolarHBondContact O-CB 3.48Å; K426-M431 WeakPolarHBondContact O-CG 3.41Å; M427-M431 HydrophobicContact SD-CB 4.34Å; M427-M431 HydrophobicContact SD-CG 4.09Å; D428-M431 PolarHBondContact O-N 3.21Å; D428-M431 WeakPolarHBondContact OD1-CB 3.43Å; D428-M431 PolarHBondContact OD1-N 3.31Å; M431-K433 PolarHBondContact O-N 3.46Å; M431-A434 PolarHBondContact O-N 3.36Å; M431-V435 HydrophobicContact CE-CG2 3.91Å; M431-V435 HydrophobicContact CG-CG2 4.4Å; M431-V435 WeakPolarHBondContact O-CG2 3.49Å; M431-V435 PolarHBondContact O-N 3.25Å; M431-V435 HydrophobicContact SD-CG2 4.29Å
432	H	94.7	Very high	89.2	Confident	108 Å²	108	84 Å²	84	50%	0.5	38%	0.38	S	S	.	.	H	α-helix	trans	-58.1	-49	177.9	-177.6	74	0	0	0	111.7	M427 D428 A434 V435 V436	M427-H432 HydrophobicContact CG-CB 4.28Å; M427-H432 VanDerWaalsContact SD-CA 3.57Å; M427-H432 HydrophobicContact SD-CB 3.78Å; D428-H432 WeakPolarHBondContact O-CB 3.17Å; D428-H432 PolarHBondContact O-N 3.12Å; H432-A434 VanDerWaalsContact C-N 3.34Å; H432-A434 PolarHBondContact O-N 3Å; H432-V435 PolarHBondContact O-N 3.04Å; H432-V436 WeakPolarHBondContact O-CG2 3.49Å; H432-V436 PolarHBondContact O-N 3.29Å
433	K	95.3	Very high	89.6	Confident	111 Å²	111	79.3 Å²	79.3	48%	0.483	37%	0.369	S	S	.	.	H	α-helix	trans	-61.8	-41.5	178.1	-175.2	175.1	179.7	-179.6	0	112	I62 R429 A430 M431 Q437	I62-K433 HydrophobicContact CD1-CB 3.8Å; I62-K433 HydrophobicContact CD1-CD 4.02Å; I62-K433 HydrophobicContact CD1-CG 3.88Å; I62-K433 HydrophobicContact CG1-CD 4.12Å; I62-K433 HydrophobicContact CG1-CG 4.39Å; R429-K433 WeakPolarHBondContact O-CB 3.36Å; R429-K433 PolarHBondContact O-N 3.43Å; R429-K433 VanDerWaalsContact O-N 3.12Å; A430-K433 PolarHBondContact O-N 3.23Å; M431-K433 PolarHBondContact O-N 3.46Å; K433-Q437 WeakPolarHBondContact O-CB 3.24Å; K433-Q437 VanDerWaalsContact O-CG 3.24Å; K433-Q437 WeakPolarHBondContact O-CG 3.35Å; K433-Q437 PolarHBondContact O-N 3.41Å
434	A	95.8	Very high	89.7	Confident	0 Å²	0	83.4 Å²	83.4	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-64.5	-44.3	178.4	0	0	0	0	0	112.4	I55 E58 L59 I62 A430 M431 H432 Q437 A438	I55-A434 HydrophobicContact CG2-CB 4.49Å; E58-A434 HydrophobicContact CB-CB 3.78Å; E58-A434 WeakPolarHBondContact CB-O 3.35Å; E58-A434 WeakPolarHBondContact CG-O 3.47Å; L59-A434 HydrophobicContact CB-CB 4.49Å; L59-A434 HydrophobicContact CD2-CB 3.71Å; L59-A434 HydrophobicContact CG-CB 3.73Å; I62-A434 HydrophobicContact CD1-CB 4Å; A430-A434 WeakPolarHBondContact O-CB 3.32Å; A430-A434 PolarHBondContact O-N 2.93Å; M431-A434 PolarHBondContact O-N 3.36Å; H432-A434 VanDerWaalsContact C-N 3.34Å; H432-A434 PolarHBondContact O-N 3Å; A434-Q437 PolarHBondContact O-N 3.46Å; A434-A438 WeakPolarHBondContact O-CB 3.47Å; A434-A438 PolarHBondContact O-N 3.15Å
435	V	94.8	Very high	89.2	Confident	29 Å²	29	86 Å²	86	18%	0.176	40%	0.396	C	S	.	.	H	α-helix	trans	-62.2	-50.1	177.3	171.3	0	0	0	0	110.8	I55 M431 H432 Q437 A438 E439	I55-V435 HydrophobicContact CD1-CG2 4.19Å; I55-V435 HydrophobicContact CG1-CG2 4.37Å; M431-V435 HydrophobicContact CE-CG2 3.91Å; M431-V435 HydrophobicContact CG-CG2 4.4Å; M431-V435 WeakPolarHBondContact O-CG2 3.49Å; M431-V435 PolarHBondContact O-N 3.25Å; M431-V435 HydrophobicContact SD-CG2 4.29Å; H432-V435 PolarHBondContact O-N 3.04Å; V435-Q437 VanDerWaalsContact C-N 3.28Å; V435-Q437 PolarHBondContact O-N 3.18Å; V435-A438 WeakPolarHBondContact O-CB 3.48Å; V435-A438 PolarHBondContact O-N 3.42Å; V435-A438 VanDerWaalsContact O-N 3.1Å; V435-E439 HydrophobicContact CG1-CG 4.43Å; V435-E439 WeakPolarHBondContact O-CG 3.37Å; V435-E439 PolarHBondContact O-N 3.34Å
436	V	95.1	Very high	88.5	Confident	37 Å²	37	84.6 Å²	84.6	22%	0.224	39%	0.389	C	S	.	.	H	α-helix	trans	-59.6	-39.5	179.1	170.9	0	0	0	0	111.5	H432 R440	H432-V436 WeakPolarHBondContact O-CG2 3.49Å; H432-V436 PolarHBondContact O-N 3.29Å; V436-R440 WeakPolarHBondContact O-CB 3.39Å; V436-R440 VanDerWaalsContact O-CG 3.24Å; V436-R440 WeakPolarHBondContact O-CG 3.37Å; V436-R440 PolarHBondContact O-N 3Å
437	Q	95.1	Very high	87.3	Confident	56 Å²	56	88.9 Å²	88.9	26%	0.262	40%	0.403	S	S	.	.	H	α-helix	trans	-67.5	-40.3	176.4	-74.9	176.9	-15.5	0	0	112.2	E58 K433 A434 V435 R440 R441	E58-Q437 HydrophobicContact CB-CB 4.2Å; E58-Q437 HydrophobicContact CG-CB 3.82Å; K433-Q437 WeakPolarHBondContact O-CB 3.24Å; K433-Q437 VanDerWaalsContact O-CG 3.24Å; K433-Q437 WeakPolarHBondContact O-CG 3.35Å; K433-Q437 PolarHBondContact O-N 3.41Å; A434-Q437 PolarHBondContact O-N 3.46Å; V435-Q437 VanDerWaalsContact C-N 3.28Å; V435-Q437 PolarHBondContact O-N 3.18Å; Q437-R440 PolarHBondContact O-N 3.38Å; Q437-R441 WeakPolarHBondContact O-CG 3.35Å; Q437-R441 PolarHBondContact O-N 2.94Å
438	A	93.8	Very high	85.7	Confident	7 Å²	7	85.5 Å²	85.5	6%	0.058	39%	0.391	C	S	.	.	H	α-helix	trans	-63.8	-45.9	177	0	0	0	0	0	111	R54 E58 A434 V435 R440 R441 I442	R54-A438 HydrophobicContact CB-CB 4.32Å; E58-A438 HydrophobicContact CG-CB 3.99Å; A434-A438 WeakPolarHBondContact O-CB 3.47Å; A434-A438 PolarHBondContact O-N 3.15Å; V435-A438 WeakPolarHBondContact O-CB 3.48Å; V435-A438 PolarHBondContact O-N 3.42Å; V435-A438 VanDerWaalsContact O-N 3.1Å; A438-R440 PolarHBondContact O-N 3.3Å; A438-R441 PolarHBondContact O-N 3.26Å; A438-I442 WeakPolarHBondContact O-CG1 3.34Å; A438-I442 PolarHBondContact O-N 2.86Å
439	E	92.4	Very high	83.9	Confident	117 Å²	117	88.4 Å²	88.4	55%	0.547	40%	0.402	S	S	.	.	H	α-helix	trans	-59.9	-45.8	175.6	-71.7	176.3	158.3	0	0	112	V435 R441 I442 A443	V435-E439 HydrophobicContact CG1-CG 4.43Å; V435-E439 WeakPolarHBondContact O-CG 3.37Å; V435-E439 PolarHBondContact O-N 3.34Å; E439-R441 VanDerWaalsContact C-N 3.3Å; E439-R441 PolarHBondContact O-N 3.01Å; E439-I442 WeakPolarHBondContact O-CB 3.41Å; E439-I442 PolarHBondContact O-N 3.09Å; E439-I442 VanDerWaalsContact O-N 3.15Å; E439-A443 PolarHBondContact O-N 3.48Å
440	R	91.4	Very high	82.1	Confident	169 Å²	169	80.6 Å²	80.6	64%	0.638	39%	0.387	S	S	*	.	H	α-helix	trans	-59.1	-40.1	176.3	-76.7	174.7	-179.1	-174	1.1	112.3	V436 Q437 A438 A443 K444	V436-R440 WeakPolarHBondContact O-CB 3.39Å; V436-R440 VanDerWaalsContact O-CG 3.24Å; V436-R440 WeakPolarHBondContact O-CG 3.37Å; V436-R440 PolarHBondContact O-N 3Å; Q437-R440 PolarHBondContact O-N 3.38Å; A438-R440 PolarHBondContact O-N 3.3Å; R440-A443 PolarHBondContact O-N 2.92Å; R440-K444 WeakPolarHBondContact O-CG 3.4Å; R440-K444 PolarHBondContact O-N 3.32Å
441	R	88.5	Confident	80	Confident	122 Å²	122	86.4 Å²	86.4	46%	0.46	41%	0.412	S	S	.	.	H	α-helix	trans	-66.2	-39.5	176.3	-75.3	-178.3	177.5	-168.7	-6.3	112	E58 Q437 A438 E439 K444 N445	E58-R441 WeakPolarHBondContact OE1-CD 3.47Å; E58-R441 IonicContact OE1-CZ 2.64Å; E58-R441 IonicContact OE1-NE 3.18Å; E58-R441 PolarHBondContact OE1-NE 2.91Å; E58-R441 IonicContact OE1-NH1 3.73Å; E58-R441 PolarHBondContact OE1-NH1 2.98Å; E58-R441 IonicContact OE1-NH2 3.24Å; E58-R441 IonicContact OE2-CZ 3.6Å; E58-R441 IonicContact OE2-NE 3.68Å; E58-R441 IonicContact OE2-NH1 2.62Å; E58-R441 IonicContact OE2-NH2 3.7Å; Q437-R441 WeakPolarHBondContact O-CG 3.35Å; Q437-R441 PolarHBondContact O-N 2.94Å; A438-R441 PolarHBondContact O-N 3.26Å; E439-R441 VanDerWaalsContact C-N 3.3Å; E439-R441 PolarHBondContact O-N 3.01Å; R441-K444 PolarHBondContact O-N 3.38Å; R441-N445 PolarHBondContact O-N 3.38Å; R441-N445 PolarHBondContact O-OD1 2.84Å
442	I	85	Confident	77.8	Confident	59 Å²	59	93.1 Å²	93.1	30%	0.303	44%	0.441	S	S	.	.	H	α-helix	trans	-61.9	-47.2	174.9	-65.5	167.2	0	0	0	110.7	R54 A438 E439 K444 N445 K446	R54-I442 VanDerWaalsContact NH1-CD1 3.32Å; A438-I442 WeakPolarHBondContact O-CG1 3.34Å; A438-I442 PolarHBondContact O-N 2.86Å; E439-I442 WeakPolarHBondContact O-CB 3.41Å; E439-I442 PolarHBondContact O-N 3.09Å; E439-I442 VanDerWaalsContact O-N 3.15Å; I442-K444 VanDerWaalsContact C-N 3.33Å; I442-K444 PolarHBondContact O-N 3.47Å; I442-N445 PolarHBondContact O-N 3.46Å; I442-K446 PolarHBondContact O-N 3.35Å
443	A	83.4	Confident	75.6	Confident	50 Å²	50	94.7 Å²	94.7	41%	0.413	45%	0.453	S	S	.	.	H	α-helix	trans	-62.1	-39.5	178.6	0	0	0	0	0	112.4	E439 R440 K446 R447	E439-A443 PolarHBondContact O-N 3.48Å; R440-A443 PolarHBondContact O-N 2.92Å; A443-K446 PolarHBondContact O-N 3.06Å; A443-R447 PolarHBondContact O-N 3.43Å
444	K	81.5	Confident	73.1	Confident	150 Å²	150	97 Å²	97	65%	0.652	46%	0.46	S	S	*	.	H	α-helix	trans	-62.7	-42.9	173.9	-76	-178.4	178.6	-167.9	0	112.1	R440 R441 I442 R447 S448	R440-K444 WeakPolarHBondContact O-CG 3.4Å; R440-K444 PolarHBondContact O-N 3.32Å; R441-K444 PolarHBondContact O-N 3.38Å; I442-K444 VanDerWaalsContact C-N 3.33Å; I442-K444 PolarHBondContact O-N 3.47Å; K444-R447 PolarHBondContact O-N 2.99Å; K444-S448 PolarHBondContact O-N 3.1Å
445	N	73.3	Confident	70.6	Confident	98 Å²	98	107.3 Å²	107.3	52%	0.524	50%	0.498	S	S	.	.	H	α-helix	trans	-65.5	-41.8	178.2	-70.7	1.1	0	0	0	111.7	R441 I442 R447 S448 E449	R441-N445 PolarHBondContact O-N 3.38Å; R441-N445 PolarHBondContact O-OD1 2.84Å; I442-N445 PolarHBondContact O-N 3.46Å; N445-R447 PolarHBondContact O-N 2.99Å; N445-S448 WeakPolarHBondContact CA-OG 3.43Å; N445-S448 PolarHBondContact O-N 2.7Å; N445-S448 VanDerWaalsContact O-N 3.1Å; N445-S448 PolarHBondContact O-OG 3.21Å; N445-E449 PolarHBondContact O-N 2.92Å
446	K	66.8	Low	68.4	Low	143 Å²	143	110 Å²	110	62%	0.622	52%	0.517	S	S	*	.	H	α-helix	trans	-59.1	-44.7	173.6	-75.1	-167.1	173.5	-163.8	0	112.5	I442 A443 S448 E449 A450	I442-K446 PolarHBondContact O-N 3.35Å; A443-K446 PolarHBondContact O-N 3.06Å; K446-S448 VanDerWaalsContact C-N 3.3Å; K446-S448 PolarHBondContact O-N 3.25Å; K446-E449 PolarHBondContact O-N 3.46Å; K446-A450 PolarHBondContact O-N 2.81Å; K446-A450 VanDerWaalsContact O-N 3.15Å
447	R	56	Low	66.2	Low	188 Å²	188	110.8 Å²	110.8	71%	0.709	53%	0.532	S	S	*	.	H	α-helix	trans	-60.7	-41.4	173.8	-74.4	-177	-176.8	-178.2	-0.1	111	A443 K444 N445 E449 A450 Q451	A443-R447 PolarHBondContact O-N 3.43Å; K444-R447 PolarHBondContact O-N 2.99Å; N445-R447 PolarHBondContact O-N 2.99Å; R447-E449 VanDerWaalsContact C-N 3.31Å; R447-E449 PolarHBondContact O-N 3.4Å; R447-A450 PolarHBondContact O-N 3.39Å; R447-Q451 WeakPolarHBondContact O-CB 3.02Å; R447-Q451 PolarHBondContact O-N 3.15Å
448	S	52.7	Low	63.9	Low	42 Å²	42	113 Å²	113	29%	0.294	55%	0.553	S	S	.	*	H	α-helix	trans	-66.6	-27.8	177.7	75.7	0	0	0	0	113.9	K444 N445 K446 K452	K444-S448 PolarHBondContact O-N 3.1Å; N445-S448 WeakPolarHBondContact CA-OG 3.43Å; N445-S448 PolarHBondContact O-N 2.7Å; N445-S448 VanDerWaalsContact O-N 3.1Å; N445-S448 PolarHBondContact O-OG 3.21Å; K446-S448 VanDerWaalsContact C-N 3.3Å; K446-S448 PolarHBondContact O-N 3.25Å; S448-K452 WeakPolarHBondContact O-CA 3.07Å; S448-K452 WeakPolarHBondContact O-CB 3.06Å; S448-K452 WeakPolarHBondContact O-CG 3.45Å; S448-K452 PolarHBondContact O-N 2.75Å
449	E	50.6	Low	61.8	Low	119 Å²	119	118.6 Å²	118.6	56%	0.556	58%	0.581	S	S	*	*	H	α-helix	trans	-72.6	-48.7	173.7	-139.8	87.4	-145.1	0	0	110.9	N445 K446 R447 Q451 K452 N453	N445-E449 PolarHBondContact O-N 2.92Å; K446-E449 PolarHBondContact O-N 3.46Å; R447-E449 VanDerWaalsContact C-N 3.31Å; R447-E449 PolarHBondContact O-N 3.4Å; E449-Q451 PolarHBondContact O-N 3.32Å; E449-K452 PolarHBondContact O-N 3Å; E449-N453 PolarHBondContact O-N 3.25Å
450	A	51.6	Low	59.9	Low	68 Å²	68	121.8 Å²	121.8	56%	0.562	60%	0.596	S	S	*	*	H	α-helix	trans	-60.6	-35.5	175	0	0	0	0	0	111.9	K446 R447 Y454	K446-A450 PolarHBondContact O-N 2.81Å; K446-A450 VanDerWaalsContact O-N 3.15Å; R447-A450 PolarHBondContact O-N 3.39Å; A450-Y454 WeakPolarHBondContact O-CB 3.06Å; A450-Y454 PolarHBondContact O-N 2.9Å
451	Q	49.5	Very low	58.3	Low	138 Å²	138	116.1 Å²	116.1	65%	0.645	59%	0.59	S	S	*	*	H	α-helix	trans	-88.1	-18.3	-179.8	-153.2	165.3	7.4	0	0	113.1	R447 E449 Y454	R447-Q451 WeakPolarHBondContact O-CB 3.02Å; R447-Q451 PolarHBondContact O-N 3.15Å; E449-Q451 PolarHBondContact O-N 3.32Å; Q451-Y454 CarbonylContact O-C 3.57Å
452	K	47.3	Very low	57.4	Low	144 Å²	144	120.7 Å²	120.7	63%	0.626	61%	0.607	S	S	*	*	H	α-helix	trans	-75.9	-33.1	166.5	-86.8	172.9	178.6	-179.2	0	111.5	S448 E449	S448-K452 WeakPolarHBondContact O-CA 3.07Å; S448-K452 WeakPolarHBondContact O-CB 3.06Å; S448-K452 WeakPolarHBondContact O-CG 3.45Å; S448-K452 PolarHBondContact O-N 2.75Å; E449-K452 PolarHBondContact O-N 3Å
453	N	48.5	Very low	56.8	Low	141 Å²	141	121 Å²	121	75%	0.754	61%	0.608	S	S	*	*	H	α-helix	trans	-81.1	-28.2	172.6	-72.9	-11.4	0	0	0	112.2	E449 R455	E449-N453 PolarHBondContact O-N 3.25Å; N453-R455 PolarHBondContact O-N 2.77Å
454	Y	43	Very low	56.4	Low	160 Å²	160	121 Å²	121	63%	0.627	61%	0.614	S	S	*	*			trans	-78.6	78.8	163.2	-168.2	-103.6	0	0	0	109.4	A450 Q451 P456	A450-Y454 WeakPolarHBondContact O-CB 3.06Å; A450-Y454 PolarHBondContact O-N 2.9Å; Q451-Y454 CarbonylContact O-C 3.57Å; Y454-P456 HydrophobicContact CD1-CG 4.2Å; Y454-P456 HydrophobicContact CE1-CB 3.86Å; Y454-P456 HydrophobicContact CE1-CG 3.84Å; Y454-P456 WeakPolarHBondContact O-CD 3.35Å
455	R	43	Very low	56.5	Low	216 Å²	216	116 Å²	116	82%	0.815	60%	0.596	S	S	*	*			trans	-74.3	108.4	151.2	-64.8	-176.3	177.8	-167.7	-1.4	104.9	N453 G457	N453-R455 PolarHBondContact O-N 2.77Å; R455-G457 PolarHBondContact O-N 3.01Å
456	P	48.1	Very low	56.9	Low	86 Å²	86	122.8 Å²	122.8	56%	0.558	62%	0.616	S	S	*	*			trans	-63.7	91.4	147.9	28.2	-24.1	0	0	0	103.1	Y454 C458	Y454-P456 HydrophobicContact CD1-CG 4.2Å; Y454-P456 HydrophobicContact CE1-CB 3.86Å; Y454-P456 HydrophobicContact CE1-CG 3.84Å; Y454-P456 WeakPolarHBondContact O-CD 3.35Å; P456-C458 PolarHBondContact O-N 2.98Å
457	G	48.2	Very low	57.7	Low	54 Å²	54	118.2 Å²	118.2	56%	0.557	61%	0.61	S	S	*	*			trans	-48.8	118.3	158.5	0	0	0	0	0	103.9	R455 L459	R455-G457 PolarHBondContact O-N 3.01Å; G457-L459 PolarHBondContact O-N 3.38Å
458	C	46.9	Very low	59.2	Low	102 Å²	102	112.3 Å²	112.3	69%	0.689	60%	0.601	S	S	*	*			trans	-33.4	105.9	-179.2	-175.6	0	0	0	0	110	P456 E460	P456-C458 PolarHBondContact O-N 2.98Å; C458-E460 PolarHBondContact O-N 2.85Å
459	L	51.1	Low	60.7	Low	124 Å²	124	114 Å²	114	65%	0.649	61%	0.613	S	S	*	*			trans	-80.4	8.4	171.9	-95	163.1	0	0	0	110.7	G457 G461	G457-L459 PolarHBondContact O-N 3.38Å; L459-G461 PolarHBondContact O-N 3.08Å; L459-G461 VanDerWaalsContact O-N 3.08Å
460	E	51.1	Low	62.5	Low	185 Å²	185	112.2 Å²	112.2	86%	0.864	61%	0.614	S	S	*	*			trans	-86.7	63.9	168.2	-67.2	-171.2	158.4	0	0	110.1	C458	C458-E460 PolarHBondContact O-N 2.85Å
461	G	58.6	Low	64.2	Low	49 Å²	49	110.6 Å²	110.6	51%	0.505	60%	0.598	S	S	.	*			trans	-123	113.8	169	0	0	0	0	0	109.4	L459	L459-G461 PolarHBondContact O-N 3.08Å; L459-G461 VanDerWaalsContact O-N 3.08Å
462	R	68.4	Low	66.1	Low	219 Å²	219	108.9 Å²	108.9	83%	0.826	60%	0.599	S	S	*	*			trans	-92.7	128.8	165.6	65.5	-176.3	-176.4	179	0.4	108.8	G464	R462-G464 PolarHBondContact O-N 3.31Å
463	I	73.6	Confident	68	Low	64 Å²	64	106.8 Å²	106.8	33%	0.328	59%	0.592	S	S	.	*			trans	-73.6	114.5	162.2	-60.8	-179.1	0	0	0	106.3	V465 M473 L476 A477 I480	I463-V465 HydrophobicContact CG2-CG2 4.05Å; I463-V465 PolarHBondContact O-N 3.31Å; I463-M473 HydrophobicContact CG2-CE 4.49Å; I463-L476 HydrophobicContact CD1-CD2 4.21Å; I463-L476 HydrophobicContact CD1-CG 4.31Å; I463-A477 HydrophobicContact CB-CB 4Å; I463-I480 HydrophobicContact CD1-CD1 3.57Å; I463-I480 HydrophobicContact CG1-CD1 4.43Å
464	G	75.7	Confident	69.9	Low	51 Å²	51	100.3 Å²	100.3	53%	0.526	56%	0.559	S	S	.	*			trans	-66.6	113.2	170	0	0	0	0	0	109.4	R462	R462-G464 PolarHBondContact O-N 3.31Å
465	V	81.8	Confident	71.9	Confident	46 Å²	46	100.1 Å²	100.1	28%	0.279	56%	0.557	S	S	.	*			trans	-106.4	104.7	175.7	-177.5	0	0	0	0	108.3	I463 G467 A477	I463-V465 HydrophobicContact CG2-CG2 4.05Å; I463-V465 PolarHBondContact O-N 3.31Å; V465-G467 PolarHBondContact O-N 3.49Å; V465-A477 HydrophobicContact CG2-CB 3.59Å
466	Y	82	Confident	73.8	Confident	239 Å²	239	93.6 Å²	93.6	94%	0.937	54%	0.537	S	S	*	.			trans	-88	48.1	174.4	-58.8	-77.4	0	0	0	111.3
467	G	84.6	Confident	75.5	Confident	48 Å²	48	90.2 Å²	90.2	50%	0.495	52%	0.517	S	S	.	.	S	Bend	trans	-163.1	179.3	-174.8	0	0	0	0	0	112.2	V465 S469	V465-G467 PolarHBondContact O-N 3.49Å; G467-S469 PolarHBondContact O-N 3.32Å
468	A	86.7	Confident	77	Confident	63 Å²	63	93.8 Å²	93.8	52%	0.521	51%	0.513	S	S	.	.			trans	-57.1	134.7	-177.6	0	0	0	0	0	112	S470 S471	A468-S470 PolarHBondContact O-N 3.3Å; A468-S470 VanDerWaalsContact O-N 3.13Å; A468-S471 WeakPolarHBondContact O-CB 3.4Å; A468-S471 PolarHBondContact O-N 3.21Å; A468-S471 PolarHBondContact O-OG 3.4Å
469	S	84.6	Confident	78.5	Confident	79 Å²	79	91.5 Å²	91.5	55%	0.552	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-19.4	178.7	59	0	0	0	0	113.6	G467 G474 R478	G467-S469 PolarHBondContact O-N 3.32Å; S469-G474 CarbonylContact O-C 3.32Å; S469-G474 VanDerWaalsContact O-C 3.32Å; S469-R478 PolarHBondContact O-NH2 3.04Å
470	S	87.6	Confident	79.6	Confident	81 Å²	81	88.7 Å²	88.7	57%	0.566	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-17.1	173.3	55.7	0	0	0	0	114	A468 R475	A468-S470 PolarHBondContact O-N 3.3Å; A468-S470 VanDerWaalsContact O-N 3.13Å; S470-R475 PolarHBondContact O-NE 3.29Å
471	S	89.1	Confident	80.5	Confident	34 Å²	34	86.7 Å²	86.7	24%	0.238	48%	0.478	C	S	.	.	S	Bend	trans	-58.1	156.9	177.2	68.9	0	0	0	0	111.1	A468 M473 G474 R475	A468-S471 WeakPolarHBondContact O-CB 3.4Å; A468-S471 PolarHBondContact O-N 3.21Å; A468-S471 PolarHBondContact O-OG 3.4Å; S471-M473 PolarHBondContact O-N 3.06Å; S471-G474 PolarHBondContact O-N 3.12Å; S471-G474 VanDerWaalsContact O-N 3.08Å; S471-G474 PolarHBondContact OG-N 3Å; S471-R475 PolarHBondContact O-N 3.34Å
472	P	89.2	Confident	80.7	Confident	101 Å²	101	93.6 Å²	93.6	66%	0.656	49%	0.494	S	S	*	.	H	α-helix	trans	-50.9	-40.3	174.5	-27.7	35.8	0	0	0	112.6	R475 L476	P472-R475 PolarHBondContact O-N 3.37Å; P472-L476 PolarHBondContact O-N 2.94Å
473	M	86.5	Confident	80	Confident	101 Å²	101	94.7 Å²	94.7	50%	0.498	50%	0.5	S	S	.	.	H	α-helix	trans	-73.4	-35.4	179.2	-142.1	56.7	175.1	0	0	113	I463 S471 L476 A477	I463-M473 HydrophobicContact CG2-CE 4.49Å; S471-M473 PolarHBondContact O-N 3.06Å; M473-L476 HydrophobicContact CE-CD2 4.07Å; M473-L476 PolarHBondContact O-N 3.42Å; M473-L476 HydrophobicContact SD-CD2 3.85Å; M473-A477 WeakPolarHBondContact O-CB 3.39Å; M473-A477 PolarHBondContact O-N 2.99Å
474	G	87.4	Confident	80.3	Confident	4 Å²	4	96.3 Å²	96.3	4%	0.041	51%	0.508	C	S	.	.	H	α-helix	trans	-64.8	-34.9	171.2	0	0	0	0	0	113.7	S469 S471 R478	S469-G474 CarbonylContact O-C 3.32Å; S469-G474 VanDerWaalsContact O-C 3.32Å; S471-G474 PolarHBondContact O-N 3.12Å; S471-G474 VanDerWaalsContact O-N 3.08Å; S471-G474 PolarHBondContact OG-N 3Å; G474-R478 PolarHBondContact O-N 2.91Å
475	R	85.7	Confident	80.5	Confident	157 Å²	157	98.6 Å²	98.6	59%	0.592	51%	0.507	S	S	*	.	H	α-helix	trans	-71.4	-42.5	173.4	-76.3	-172.7	-85.2	172.5	-2.6	112	S470 S471 P472 R478 A479	S470-R475 PolarHBondContact O-NE 3.29Å; S471-R475 PolarHBondContact O-N 3.34Å; P472-R475 PolarHBondContact O-N 3.37Å; R475-R478 PolarHBondContact O-N 3.39Å; R475-A479 PolarHBondContact O-N 2.75Å
476	L	82.3	Confident	80.5	Confident	78 Å²	78	101.6 Å²	101.6	41%	0.408	52%	0.52	S	S	.	.	H	α-helix	trans	-60.9	-47.4	175.6	-178.7	63.8	0	0	0	111.7	I463 P472 M473 R478 A479 I480	I463-L476 HydrophobicContact CD1-CD2 4.21Å; I463-L476 HydrophobicContact CD1-CG 4.31Å; P472-L476 PolarHBondContact O-N 2.94Å; M473-L476 HydrophobicContact CE-CD2 4.07Å; M473-L476 PolarHBondContact O-N 3.42Å; M473-L476 HydrophobicContact SD-CD2 3.85Å; L476-R478 VanDerWaalsContact C-N 3.31Å; L476-R478 PolarHBondContact O-N 3.08Å; L476-A479 PolarHBondContact O-N 3.2Å; L476-A479 VanDerWaalsContact O-N 3.12Å; L476-I480 HydrophobicContact CD1-CD1 3.99Å; L476-I480 HydrophobicContact CD1-CG1 4.36Å; L476-I480 HydrophobicContact CG-CD1 3.9Å; L476-I480 WeakPolarHBondContact O-CG1 3.2Å; L476-I480 PolarHBondContact O-N 3.39Å
477	A	84.7	Confident	80.4	Confident	15 Å²	15	93.5 Å²	93.5	12%	0.124	50%	0.495	C	S	.	.	H	α-helix	trans	-58.2	-41.4	178.2	0	0	0	0	0	112.5	I463 V465 M473 Q481	I463-A477 HydrophobicContact CB-CB 4Å; V465-A477 HydrophobicContact CG2-CB 3.59Å; M473-A477 WeakPolarHBondContact O-CB 3.39Å; M473-A477 PolarHBondContact O-N 2.99Å; A477-Q481 PolarHBondContact O-N 2.95Å
478	R	79.7	Confident	80.1	Confident	129 Å²	129	96.3 Å²	96.3	49%	0.487	50%	0.496	S	S	.	.	H	α-helix	trans	-67.2	-37.8	174.6	-81.3	-171.9	-73.3	177.9	-3	113.5	S469 G474 R475 L476 I480 Q481	S469-R478 PolarHBondContact O-NH2 3.04Å; G474-R478 PolarHBondContact O-N 2.91Å; R475-R478 PolarHBondContact O-N 3.39Å; L476-R478 VanDerWaalsContact C-N 3.31Å; L476-R478 PolarHBondContact O-N 3.08Å; R478-I480 VanDerWaalsContact C-N 3.33Å; R478-Q481 PolarHBondContact O-N 3.13Å
479	A	78.5	Confident	79.7	Confident	54 Å²	54	98.5 Å²	98.5	45%	0.446	49%	0.494	S	S	.	.	H	α-helix	trans	-65.4	-39.6	179.1	0	0	0	0	0	111.5	R475 L476 K482	R475-A479 PolarHBondContact O-N 2.75Å; L476-A479 PolarHBondContact O-N 3.2Å; L476-A479 VanDerWaalsContact O-N 3.12Å; A479-K482 PolarHBondContact O-N 2.72Å
480	I	75.1	Confident	79.3	Confident	65 Å²	65	99.9 Å²	99.9	33%	0.333	49%	0.49	S	S	.	.	H	α-helix	trans	-68.9	-33.8	179.8	-65.9	167.3	0	0	0	111.7	I463 L476 R478 K482 Y483	I463-I480 HydrophobicContact CD1-CD1 3.57Å; I463-I480 HydrophobicContact CG1-CD1 4.43Å; L476-I480 HydrophobicContact CD1-CD1 3.99Å; L476-I480 HydrophobicContact CD1-CG1 4.36Å; L476-I480 HydrophobicContact CG-CD1 3.9Å; L476-I480 WeakPolarHBondContact O-CG1 3.2Å; L476-I480 PolarHBondContact O-N 3.39Å; R478-I480 VanDerWaalsContact C-N 3.33Å; I480-K482 PolarHBondContact O-N 3.21Å; I480-Y483 PolarHBondContact O-N 3.19Å
481	Q	68.4	Low	78.7	Confident	144 Å²	144	101.4 Å²	101.4	67%	0.673	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-16.1	176.2	-77.6	-177	-18.4	0	0	114.8	A477 R478	A477-Q481 PolarHBondContact O-N 2.95Å; R478-Q481 PolarHBondContact O-N 3.13Å
482	K	62.9	Low	77.8	Confident	193 Å²	193	107 Å²	107	84%	0.839	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-4.7	179.2	-72.6	-171.4	177	-172.6	0	113.7	A479 I480	A479-K482 PolarHBondContact O-N 2.72Å; I480-K482 PolarHBondContact O-N 3.21Å
483	Y	53.8	Low	76.8	Confident	243 Å²	243	107.5 Å²	107.5	95%	0.953	49%	0.49	S	S	*	.			trans	-94.3	0	172.5	-108.7	-89.4	0	0	0	109.7	I480	I480-Y483 PolarHBondContact O-N 3.19Å

Retrieved 483 of 483 residues in 92.6 ms (Link to these results)

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