A0A3Q0KVH3_SCHMA Loading...

Ubiquitin-activating enzyme E1C, putative AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KVH3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 224 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

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	36.2	Very low	30.3	Very low	126 Å²	126	112 Å²	112	62%	0.621	72%	0.722	S	S	*	*				0	-15.3	0	-141.5	178.7	168.8	0	0	114.2	I116 S119 L120	M1-I116 HydrophobicContact CE-CB 4.24Å; M1-I116 HydrophobicContact CE-CG1 4.24Å; M1-I116 HydrophobicContact CE-CG2 3.65Å; M1-I116 HydrophobicContact CG-CG2 4.47Å; M1-I116 HydrophobicContact SD-CG2 3.67Å; M1-S119 VanDerWaalsContact CE-OG 3.23Å; M1-S119 WeakPolarHBondContact CE-OG 3.36Å; M1-L120 HydrophobicContact SD-CD2 4.21Å
2	F	35.1	Very low	30.5	Very low	69 Å²	69	115.6 Å²	115.6	30%	0.303	73%	0.731	S	S	.	*			trans	-115.5	10.4	178.5	-66	-73.2	0	0	0	115.6	I116 L148	F2-I116 HydrophobicContact CD1-CD1 4.25Å; F2-I116 HydrophobicContact CE1-CD1 3.59Å; F2-I116 HydrophobicContact CE1-CG2 4.3Å; F2-I116 HydrophobicContact CZ-CD1 4.24Å; F2-I116 HydrophobicContact CZ-CG2 3.85Å; F2-L148 HydrophobicContact CE2-CD2 4.34Å
3	G	28.6	Very low	30.6	Very low	72 Å²	72	116.1 Å²	116.1	74%	0.742	73%	0.732	S	S	*	*	S	Bend	trans	-108.5	7.9	-176.9	0	0	0	0	0	115.9
4	G	27.9	Very low	30.3	Very low	85 Å²	85	117.9 Å²	117.9	88%	0.876	73%	0.734	S	S	*	*	S	Bend	trans	-97.2	-7.6	-174	0	0	0	0	0	115.6
5	G	28.8	Very low	30.3	Very low	59 Å²	59	123.2 Å²	123.2	61%	0.608	74%	0.737	S	S	*	*	S	Bend	trans	-115	114	-177.2	0	0	0	0	0	110.9
6	N	31.5	Very low	30.7	Very low	148 Å²	148	127.3 Å²	127.3	79%	0.791	75%	0.746	S	S	*	*	S	Bend	trans	83.4	41.7	160.9	-57.2	-4.8	0	0	0	119.4
7	V	31.2	Very low	30.8	Very low	142 Å²	142	129.2 Å²	129.2	86%	0.861	75%	0.745	S	S	*	*	S	Bend	trans	-120.5	55.8	153.1	-165.8	0	0	0	0	110.1
8	L	27.5	Very low	30.9	Very low	176 Å²	176	128.4 Å²	128.4	92%	0.921	75%	0.749	S	S	*	*			trans	-147	62.5	153	-72.8	-177.5	0	0	0	106.5
9	S	28	Very low	31	Very low	96 Å²	96	128.1 Å²	128.1	67%	0.671	75%	0.749	S	S	*	*			trans	-127.6	71.2	164.3	75.2	0	0	0	0	108.5
10	D	28.7	Very low	31.3	Very low	159 Å²	159	128 Å²	128	85%	0.85	75%	0.75	S	S	*	*	S	Bend	trans	-140.9	113.1	148.4	-89.8	-30.8	0	0	0	107.1
11	S	29.7	Very low	32.1	Very low	100 Å²	100	127.3 Å²	127.3	70%	0.699	74%	0.743	S	S	*	*	S	Bend	trans	24.1	124.4	161.4	54.6	0	0	0	0	120.6
12	D	32.5	Very low	33	Very low	155 Å²	155	131.4 Å²	131.4	83%	0.829	76%	0.758	S	S	*	*			trans	79	48.5	147	-55.5	-18.8	0	0	0	119.4
13	T	31.6	Very low	34.7	Very low	122 Å²	122	130.2 Å²	130.2	75%	0.748	77%	0.765	S	S	*	*			trans	-136.4	103.5	143.7	-36.4	0	0	0	0	110.5	Y15	T13-Y15 PolarHBondContact O-N 3.45Å
14	N	26.4	Very low	37.4	Very low	142 Å²	142	129.2 Å²	129.2	76%	0.759	75%	0.746	S	S	*	*			trans	-45.6	93.6	171.7	-92.4	-49.6	0	0	0	111.9
15	Y	31.6	Very low	40.3	Very low	197 Å²	197	129 Å²	129	77%	0.773	73%	0.73	S	S	*	*			trans	-106.4	42.1	165.4	-111.6	-87.5	0	0	0	110.5	T13	T13-Y15 PolarHBondContact O-N 3.45Å
16	H	36.4	Very low	43.3	Very low	189 Å²	189	128.4 Å²	128.4	88%	0.875	71%	0.711	S	S	*	*			trans	-131	34.5	166.2	-88.2	-62.2	0	0	0	112.6
17	Q	31.6	Very low	46.1	Very low	159 Å²	159	128.4 Å²	128.4	74%	0.743	70%	0.704	S	S	*	*	S	Bend	trans	-119.6	103.8	162.2	-96.2	164.6	-8.9	0	0	110.7	T19	Q17-T19 PolarHBondContact O-N 3.3Å
18	S	33.3	Very low	48.9	Very low	115 Å²	115	126.3 Å²	126.3	80%	0.804	68%	0.683	S	S	*	*			trans	-12.6	106.2	149.6	-175.5	0	0	0	0	113.6
19	T	32.9	Very low	52.1	Low	123 Å²	123	120 Å²	120	76%	0.755	65%	0.649	S	S	*	*			trans	-133.9	113.1	154.7	54.7	0	0	0	0	108.9	Q17 N21	Q17-T19 PolarHBondContact O-N 3.3Å; T19-N21 PolarHBondContact O-N 3.33Å
20	T	36.6	Very low	55.2	Low	125 Å²	125	118.4 Å²	118.4	77%	0.767	63%	0.631	S	S	*	*			trans	-61.9	66.6	169	43.3	0	0	0	0	110.6	K22	T20-K22 PolarHBondContact O-N 3.46Å
21	N	47.4	Very low	58.2	Low	114 Å²	114	114.3 Å²	114.3	61%	0.61	61%	0.614	S	S	*	*			trans	-74.5	95.9	167.3	-155.7	-1.9	0	0	0	107.1	T19 G23	T19-N21 PolarHBondContact O-N 3.33Å; N21-G23 PolarHBondContact O-N 3.32Å
22	K	56.3	Low	61.3	Low	212 Å²	212	114.1 Å²	114.1	92%	0.922	60%	0.603	S	S	*	*			trans	-64.1	22.7	177.7	-68.7	-177.7	176.7	176.6	0	113.6	T20	T20-K22 PolarHBondContact O-N 3.46Å
23	G	70.7	Confident	64.1	Low	44 Å²	44	109.1 Å²	109.1	45%	0.454	58%	0.575	S	S	.	*	S	Bend	trans	-96.9	152	174.6	0	0	0	0	0	111.2	N21	N21-G23 PolarHBondContact O-N 3.32Å
24	S	85.3	Confident	67	Low	51 Å²	51	108.7 Å²	108.7	36%	0.357	57%	0.565	S	S	.	*			trans	-62.1	130.6	174.1	60.9	0	0	0	0	110.2	Q26 K27 F28	S24-Q26 PolarHBondContact O-N 2.79Å; S24-Q26 VanDerWaalsContact O-N 3.13Å; S24-K27 PolarHBondContact O-N 3.04Å; S24-K27 VanDerWaalsContact O-N 3.14Å; S24-K27 WeakPolarHBondContact OG-CB 3.48Å; S24-K27 WeakPolarHBondContact OG-CD 3.47Å; S24-K27 WeakPolarHBondContact OG-CG 3.46Å; S24-K27 PolarHBondContact OG-N 3.08Å; S24-F28 PolarHBondContact O-N 3.39Å
25	P	88.1	Confident	70.2	Confident	81 Å²	81	107.2 Å²	107.2	53%	0.526	55%	0.553	S	S	.	*	H	α-helix	trans	-52	-36.6	175	-28.1	34.9	0	0	0	113	F28 F29 V63	P25-F28 PolarHBondContact O-N 3.23Å; P25-F29 WeakPolarHBondContact O-CB 3.38Å; P25-F29 PolarHBondContact O-N 3.27Å; P25-V63 HydrophobicContact CB-CG1 4.11Å; P25-V63 HydrophobicContact CG-CG1 4.47Å
26	Q	91.7	Very high	73.1	Confident	46 Å²	46	101.7 Å²	101.7	22%	0.215	54%	0.54	C	S	.	.	H	α-helix	trans	-57	-56.1	175.6	-177.6	60.3	26.4	0	0	113.1	S24 F28 F29 E30 V63 G65	S24-Q26 PolarHBondContact O-N 2.79Å; S24-Q26 VanDerWaalsContact O-N 3.13Å; Q26-F28 VanDerWaalsContact C-N 3.27Å; Q26-F28 PolarHBondContact O-N 3.02Å; Q26-F29 WeakPolarHBondContact O-CB 3.25Å; Q26-F29 PolarHBondContact O-N 2.79Å; Q26-E30 VanDerWaalsContact NE2-CD 3.31Å; Q26-E30 PolarHBondContact NE2-OE1 3.01Å; Q26-E30 WeakPolarHBondContact O-CG 3.39Å; Q26-E30 PolarHBondContact O-N 3.18Å; Q26-V63 PolarHBondContact OE1-O 3.41Å; Q26-G65 PolarHBondContact NE2-O 3.45Å
27	K	90.3	Very high	75.7	Confident	148 Å²	148	95.3 Å²	95.3	64%	0.643	51%	0.511	S	S	*	.	H	α-helix	trans	-61.9	-36.3	-179.9	-70.4	176.7	-176.6	-178.1	0	112.2	S24 S31	S24-K27 PolarHBondContact O-N 3.04Å; S24-K27 VanDerWaalsContact O-N 3.14Å; S24-K27 WeakPolarHBondContact OG-CB 3.48Å; S24-K27 WeakPolarHBondContact OG-CD 3.47Å; S24-K27 WeakPolarHBondContact OG-CG 3.46Å; S24-K27 PolarHBondContact OG-N 3.08Å; K27-S31 VanDerWaalsContact O-CB 3.27Å; K27-S31 WeakPolarHBondContact O-CB 3.37Å; K27-S31 PolarHBondContact O-N 2.92Å; K27-S31 PolarHBondContact O-OG 3.5Å
28	F	91.1	Very high	78.5	Confident	98 Å²	98	92.4 Å²	92.4	43%	0.43	50%	0.499	S	S	.	.	H	α-helix	trans	-64.2	-49.3	176	-179.3	-105.4	0	0	0	110.6	S24 P25 Q26 E30 S31 Q32	S24-F28 PolarHBondContact O-N 3.39Å; P25-F28 PolarHBondContact O-N 3.23Å; Q26-F28 VanDerWaalsContact C-N 3.27Å; Q26-F28 PolarHBondContact O-N 3.02Å; F28-E30 PolarHBondContact O-N 2.91Å; F28-S31 PolarHBondContact O-N 3.09Å; F28-Q32 HydrophobicContact CD1-CG 4.23Å; F28-Q32 HydrophobicContact CD2-CG 4.24Å; F28-Q32 HydrophobicContact CE1-CG 3.87Å; F28-Q32 HydrophobicContact CE2-CG 3.88Å; F28-Q32 HydrophobicContact CG-CG 4.42Å; F28-Q32 HydrophobicContact CZ-CG 3.68Å; F28-Q32 WeakPolarHBondContact O-CB 3.5Å; F28-Q32 VanDerWaalsContact O-CG 3.25Å; F28-Q32 WeakPolarHBondContact O-CG 3.49Å; F28-Q32 PolarHBondContact O-N 3.29Å
29	F	93.4	Very high	81.3	Confident	44 Å²	44	90.8 Å²	90.8	19%	0.193	48%	0.484	C	S	.	.	H	α-helix	trans	-55.4	-50.5	175.3	170.2	-102.3	0	0	0	112.4	P25 Q26 S31 Q32 L33 V60 C64 G65 L66	P25-F29 WeakPolarHBondContact O-CB 3.38Å; P25-F29 PolarHBondContact O-N 3.27Å; Q26-F29 WeakPolarHBondContact O-CB 3.25Å; Q26-F29 PolarHBondContact O-N 2.79Å; F29-S31 VanDerWaalsContact C-N 3.34Å; F29-S31 PolarHBondContact O-N 2.91Å; F29-Q32 PolarHBondContact O-N 3.36Å; F29-L33 HydrophobicContact CE1-CD2 4.24Å; F29-L33 HydrophobicContact CZ-CD2 4.13Å; F29-L33 WeakPolarHBondContact O-CB 3.23Å; F29-L33 PolarHBondContact O-N 3.45Å; F29-V60 HydrophobicContact CE2-CB 4.41Å; F29-V60 HydrophobicContact CE2-CG2 4.37Å; F29-V60 HydrophobicContact CZ-CB 4.34Å; F29-V60 HydrophobicContact CZ-CG2 3.98Å; F29-C64 HydrophobicContact CB-CB 3.95Å; F29-C64 HydrophobicContact CD1-CB 3.81Å; F29-C64 HydrophobicContact CD2-CB 3.94Å; F29-C64 HydrophobicContact CE1-CB 4.29Å; F29-C64 HydrophobicContact CE2-CB 4.4Å; F29-C64 HydrophobicContact CG-CB 3.61Å; F29-G65 WeakPolarHBondContact CD1-O 3.27Å; F29-G65 VanDerWaalsContact CE1-O 3.23Å; F29-G65 WeakPolarHBondContact CE1-O 3.32Å; F29-L66 HydrophobicContact CE1-CD2 4.24Å; F29-L66 HydrophobicContact CZ-CD2 4.08Å
30	E	92.8	Very high	84	Confident	63 Å²	63	87.2 Å²	87.2	29%	0.294	46%	0.461	S	S	.	.	H	α-helix	trans	-62.3	-40.8	179.7	-72.8	179.4	168.1	0	0	112.4	Q26 F28 L33 H34	Q26-E30 VanDerWaalsContact NE2-CD 3.31Å; Q26-E30 PolarHBondContact NE2-OE1 3.01Å; Q26-E30 WeakPolarHBondContact O-CG 3.39Å; Q26-E30 PolarHBondContact O-N 3.18Å; F28-E30 PolarHBondContact O-N 2.91Å; E30-L33 PolarHBondContact O-N 3.49Å; E30-H34 WeakPolarHBondContact O-CB 3.44Å; E30-H34 PolarHBondContact O-N 2.98Å
31	S	92.9	Very high	86.3	Confident	72 Å²	72	87.3 Å²	87.3	50%	0.503	45%	0.45	S	S	.	.	H	α-helix	trans	-65.4	-43.7	178.6	-59.2	0	0	0	0	111.4	K27 F28 F29 H34 H35	K27-S31 VanDerWaalsContact O-CB 3.27Å; K27-S31 WeakPolarHBondContact O-CB 3.37Å; K27-S31 PolarHBondContact O-N 2.92Å; K27-S31 PolarHBondContact O-OG 3.5Å; F28-S31 PolarHBondContact O-N 3.09Å; F29-S31 VanDerWaalsContact C-N 3.34Å; F29-S31 PolarHBondContact O-N 2.91Å; S31-H34 PolarHBondContact O-N 3.28Å; S31-H35 VanDerWaalsContact O-CB 3.31Å; S31-H35 WeakPolarHBondContact O-CB 3.41Å; S31-H35 PolarHBondContact O-N 3.45Å
32	Q	93.6	Very high	88.1	Confident	97 Å²	97	88.1 Å²	88.1	45%	0.453	45%	0.45	S	S	.	.	H	α-helix	trans	-64.4	-45.6	176.9	-68.5	-64.9	94.9	0	0	111.1	F28 F29 H35 V36	F28-Q32 HydrophobicContact CD1-CG 4.23Å; F28-Q32 HydrophobicContact CD2-CG 4.24Å; F28-Q32 HydrophobicContact CE1-CG 3.87Å; F28-Q32 HydrophobicContact CE2-CG 3.88Å; F28-Q32 HydrophobicContact CG-CG 4.42Å; F28-Q32 HydrophobicContact CZ-CG 3.68Å; F28-Q32 WeakPolarHBondContact O-CB 3.5Å; F28-Q32 VanDerWaalsContact O-CG 3.25Å; F28-Q32 WeakPolarHBondContact O-CG 3.49Å; F28-Q32 PolarHBondContact O-N 3.29Å; F29-Q32 PolarHBondContact O-N 3.36Å; Q32-H35 PolarHBondContact O-N 3.46Å; Q32-V36 WeakPolarHBondContact O-CG2 3.4Å; Q32-V36 PolarHBondContact O-N 3.41Å
33	L	92.6	Very high	89.4	Confident	49 Å²	49	85.1 Å²	85.1	26%	0.257	43%	0.433	S	S	.	.	H	α-helix	trans	-61.8	-46.7	177.6	-179.8	59.6	0	0	0	111.5	F29 E30 H35 V36 I37 L66 L70	F29-L33 HydrophobicContact CE1-CD2 4.24Å; F29-L33 HydrophobicContact CZ-CD2 4.13Å; F29-L33 WeakPolarHBondContact O-CB 3.23Å; F29-L33 PolarHBondContact O-N 3.45Å; E30-L33 PolarHBondContact O-N 3.49Å; L33-H35 VanDerWaalsContact C-N 3.34Å; L33-H35 PolarHBondContact O-N 3.48Å; L33-V36 PolarHBondContact O-N 2.99Å; L33-I37 HydrophobicContact CD1-CD1 4.04Å; L33-I37 HydrophobicContact CD1-CG1 4.39Å; L33-I37 HydrophobicContact CG-CD1 4.01Å; L33-I37 WeakPolarHBondContact O-CG1 3.48Å; L33-I37 PolarHBondContact O-N 3.28Å; L33-L66 HydrophobicContact CD2-CD2 3.96Å; L33-L70 HydrophobicContact CD2-CD2 3.84Å
34	H	91.9	Very high	89.9	Confident	113 Å²	113	86.2 Å²	86.2	52%	0.523	43%	0.428	S	S	.	.	H	α-helix	trans	-59.8	-44.8	176.6	178.9	-96.9	0	0	0	111.6	E30 S31 V36 I37 M38	E30-H34 WeakPolarHBondContact O-CB 3.44Å; E30-H34 PolarHBondContact O-N 2.98Å; S31-H34 PolarHBondContact O-N 3.28Å; H34-V36 PolarHBondContact O-N 3.05Å; H34-I37 PolarHBondContact O-N 3.49Å; H34-M38 WeakPolarHBondContact O-CB 3.47Å; H34-M38 WeakPolarHBondContact O-CG 3.26Å; H34-M38 PolarHBondContact O-N 3.34Å
35	H	94.1	Very high	89.5	Confident	111 Å²	111	87.9 Å²	87.9	51%	0.514	44%	0.44	S	S	.	.	H	α-helix	trans	-59.6	-47.2	177.2	-178.7	75.1	0	0	0	111.8	S31 Q32 L33 I37 M38 T39	S31-H35 VanDerWaalsContact O-CB 3.31Å; S31-H35 WeakPolarHBondContact O-CB 3.41Å; S31-H35 PolarHBondContact O-N 3.45Å; Q32-H35 PolarHBondContact O-N 3.46Å; L33-H35 VanDerWaalsContact C-N 3.34Å; L33-H35 PolarHBondContact O-N 3.48Å; H35-I37 PolarHBondContact O-N 2.89Å; H35-M38 PolarHBondContact O-N 3.36Å; H35-T39 WeakPolarHBondContact O-CB 3.34Å; H35-T39 PolarHBondContact O-N 3.02Å; H35-T39 PolarHBondContact O-OG1 3Å; H35-T39 VanDerWaalsContact O-OG1 3.04Å
36	V	92.5	Very high	89.1	Confident	82 Å²	82	86.2 Å²	86.2	50%	0.497	43%	0.43	S	S	.	.	H	α-helix	trans	-60.7	-44.7	178.3	170.7	0	0	0	0	111.5	Q32 L33 H34 N40	Q32-V36 WeakPolarHBondContact O-CG2 3.4Å; Q32-V36 PolarHBondContact O-N 3.41Å; L33-V36 PolarHBondContact O-N 2.99Å; H34-V36 PolarHBondContact O-N 3.05Å; V36-N40 WeakPolarHBondContact O-CB 3.38Å; V36-N40 PolarHBondContact O-N 3.37Å; V36-N40 VanDerWaalsContact O-N 3.08Å; V36-N40 PolarHBondContact O-ND2 2.8Å
37	I	90.2	Very high	88	Confident	55 Å²	55	86 Å²	86	28%	0.282	43%	0.433	S	S	.	.	H	α-helix	trans	-62.2	-45.4	178.3	-69.4	169.5	0	0	0	110.7	L33 H34 H35 N40 K41 L44	L33-I37 HydrophobicContact CD1-CD1 4.04Å; L33-I37 HydrophobicContact CD1-CG1 4.39Å; L33-I37 HydrophobicContact CG-CD1 4.01Å; L33-I37 WeakPolarHBondContact O-CG1 3.48Å; L33-I37 PolarHBondContact O-N 3.28Å; H34-I37 PolarHBondContact O-N 3.49Å; H35-I37 PolarHBondContact O-N 2.89Å; I37-N40 CarbonylContact O-C 3.52Å; I37-N40 PolarHBondContact O-N 3.15Å; I37-K41 WeakPolarHBondContact O-CA 3.34Å; I37-K41 PolarHBondContact O-N 3.26Å; I37-L44 HydrophobicContact CB-CD1 4.46Å; I37-L44 HydrophobicContact CG2-CD1 3.99Å
38	M	90.7	Very high	87.2	Confident	97 Å²	97	85.8 Å²	85.8	48%	0.478	43%	0.432	S	S	.	.	H	α-helix	trans	-69	-42.7	-177.4	-70.7	-60.3	146.8	0	0	112.5	H34 H35 N40 K41	H34-M38 WeakPolarHBondContact O-CB 3.47Å; H34-M38 WeakPolarHBondContact O-CG 3.26Å; H34-M38 PolarHBondContact O-N 3.34Å; H35-M38 PolarHBondContact O-N 3.36Å; M38-N40 PolarHBondContact O-N 3.31Å; M38-K41 VanDerWaalsContact O-CB 3.25Å; M38-K41 WeakPolarHBondContact O-CB 3.1Å; M38-K41 PolarHBondContact O-N 3.49Å; M38-K41 VanDerWaalsContact O-N 3.16Å
39	T	92.4	Very high	86.7	Confident	81 Å²	81	84.8 Å²	84.8	50%	0.497	43%	0.431	S	S	.	.	H	α-helix	trans	-64	-31.3	176.4	-59.7	0	0	0	0	111.7	H35	H35-T39 WeakPolarHBondContact O-CB 3.34Å; H35-T39 PolarHBondContact O-N 3.02Å; H35-T39 PolarHBondContact O-OG1 3Å; H35-T39 VanDerWaalsContact O-OG1 3.04Å
40	N	89.6	Confident	86.2	Confident	49 Å²	49	85 Å²	85	26%	0.262	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	11.4	177.3	-68.4	-83.1	0	0	0	113.9	V36 I37 M38 H42 R43 L44	V36-N40 WeakPolarHBondContact O-CB 3.38Å; V36-N40 PolarHBondContact O-N 3.37Å; V36-N40 VanDerWaalsContact O-N 3.08Å; V36-N40 PolarHBondContact O-ND2 2.8Å; I37-N40 CarbonylContact O-C 3.52Å; I37-N40 PolarHBondContact O-N 3.15Å; M38-N40 PolarHBondContact O-N 3.31Å; N40-H42 VanDerWaalsContact C-N 3.28Å; N40-H42 PolarHBondContact O-N 2.62Å; N40-R43 WeakPolarHBondContact O-CA 3.41Å; N40-R43 WeakPolarHBondContact O-CB 3.43Å; N40-R43 PolarHBondContact O-N 2.81Å; N40-L44 PolarHBondContact O-N 2.99Å
41	K	85.8	Confident	85.9	Confident	126 Å²	126	86.9 Å²	86.9	55%	0.548	45%	0.446	S	S	.	.	H	α-helix	trans	-53.4	-43.8	-174.1	-179.3	-179.3	177	-177.2	0	112.7	I37 M38 R43 L44 S45	I37-K41 WeakPolarHBondContact O-CA 3.34Å; I37-K41 PolarHBondContact O-N 3.26Å; M38-K41 VanDerWaalsContact O-CB 3.25Å; M38-K41 WeakPolarHBondContact O-CB 3.1Å; M38-K41 PolarHBondContact O-N 3.49Å; M38-K41 VanDerWaalsContact O-N 3.16Å; K41-R43 PolarHBondContact O-N 3.46Å; K41-L44 CarbonylContact O-C 3.57Å; K41-L44 PolarHBondContact O-N 3.07Å; K41-L44 VanDerWaalsContact O-N 3.08Å; K41-S45 WeakPolarHBondContact O-CB 3.19Å; K41-S45 PolarHBondContact O-N 3.31Å; K41-S45 PolarHBondContact O-OG 3.04Å
42	H	85	Confident	85.7	Confident	132 Å²	132	89.2 Å²	89.2	61%	0.611	44%	0.444	S	S	*	.	H	α-helix	trans	-59.4	-33.2	178.6	69.2	-82.2	0	0	0	113	N40	N40-H42 VanDerWaalsContact C-N 3.28Å; N40-H42 PolarHBondContact O-N 2.62Å
43	R	83.4	Confident	85.6	Confident	148 Å²	148	88.3 Å²	88.3	56%	0.558	44%	0.441	S	S	*	.	H	α-helix	trans	-69.9	-52.9	172.7	-57.3	-172.6	172.8	-173.6	-5.3	108.6	N40 K41 S45 S46 N49	N40-R43 WeakPolarHBondContact O-CA 3.41Å; N40-R43 WeakPolarHBondContact O-CB 3.43Å; N40-R43 PolarHBondContact O-N 2.81Å; K41-R43 PolarHBondContact O-N 3.46Å; R43-S45 PolarHBondContact O-N 3.5Å; R43-S46 PolarHBondContact O-N 2.96Å; R43-S46 VanDerWaalsContact O-N 3.16Å; R43-N49 WeakPolarHBondContact CA-ND2 3.45Å; R43-N49 WeakPolarHBondContact O-CB 3.34Å; R43-N49 VanDerWaalsContact O-CG 3.3Å; R43-N49 PolarHBondContact O-ND2 3.47Å
44	L	81	Confident	85.4	Confident	68 Å²	68	93.6 Å²	93.6	36%	0.356	47%	0.465	S	S	.	.	H	α-helix	trans	-66.4	-19.4	-176.7	-60.1	175.4	0	0	0	114.7	I37 N40 K41 L51	I37-L44 HydrophobicContact CB-CD1 4.46Å; I37-L44 HydrophobicContact CG2-CD1 3.99Å; N40-L44 PolarHBondContact O-N 2.99Å; K41-L44 CarbonylContact O-C 3.57Å; K41-L44 PolarHBondContact O-N 3.07Å; K41-L44 VanDerWaalsContact O-N 3.08Å; L44-L51 HydrophobicContact CD2-CB 4.28Å; L44-L51 HydrophobicContact CD2-CD2 4.5Å
45	S	76.2	Confident	85.2	Confident	85 Å²	85	91.4 Å²	91.4	59%	0.594	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-8.7	176.8	-60.4	0	0	0	0	113.9	K41 R43	K41-S45 WeakPolarHBondContact O-CB 3.19Å; K41-S45 PolarHBondContact O-N 3.31Å; K41-S45 PolarHBondContact O-OG 3.04Å; R43-S45 PolarHBondContact O-N 3.5Å
46	S	79	Confident	84.7	Confident	46 Å²	46	90.2 Å²	90.2	32%	0.322	46%	0.456	S	S	.	.	S	Bend	trans	-80.2	132.9	174.8	-175.9	0	0	0	0	110.2	R43 K48 N49	R43-S46 PolarHBondContact O-N 2.96Å; R43-S46 VanDerWaalsContact O-N 3.16Å; S46-K48 PolarHBondContact O-N 3.2Å; S46-K48 PolarHBondContact OG-N 3.13Å; S46-N49 PolarHBondContact O-N 3.27Å
47	C	70.7	Confident	84.4	Confident	42 Å²	42	89.7 Å²	89.7	28%	0.284	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-14.3	171.3	58.4	0	0	0	0	113.8	T203 D207	C47-T203 HydrophobicContact CB-CG2 4.39Å; C47-T203 PolarHBondContact O-OG1 3.18Å; C47-T203 VanDerWaalsContact O-OG1 3.1Å; C47-D207 WeakPolarHBondContact CB-OD2 3.33Å; C47-D207 PolarHBondContact SG-OD2 3.47Å; C47-D207 VanDerWaalsContact SG-OD2 3.4Å
48	K	72.7	Confident	84.4	Confident	143 Å²	143	90 Å²	90	62%	0.622	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-13.1	175.1	-62.9	-174.5	178.8	-178.1	0	114.4	S46 Y200	S46-K48 PolarHBondContact O-N 3.2Å; S46-K48 PolarHBondContact OG-N 3.13Å; K48-Y200 HydrophobicContact CB-CE1 4.39Å
49	N	80.3	Confident	84.4	Confident	77 Å²	77	91.8 Å²	91.8	41%	0.412	46%	0.455	S	S	.	.			trans	-113.6	95.2	-172.2	-71	-28.6	0	0	0	109.8	R43 S46	R43-N49 WeakPolarHBondContact CA-ND2 3.45Å; R43-N49 WeakPolarHBondContact O-CB 3.34Å; R43-N49 VanDerWaalsContact O-CG 3.3Å; R43-N49 PolarHBondContact O-ND2 3.47Å; S46-N49 PolarHBondContact O-N 3.27Å
50	I	83	Confident	84.2	Confident	49 Å²	49	92 Å²	92	25%	0.251	46%	0.457	S	S	.	.			trans	-91.6	127	-176.9	-60.4	130.8	0	0	0	109.3	W52 A199 Y200	I50-W52 HydrophobicContact CG2-CD2 4.22Å; I50-W52 HydrophobicContact CG2-CH2 4.48Å; I50-W52 HydrophobicContact CG2-CZ2 3.85Å; I50-A199 HydrophobicContact CB-CB 4.37Å; I50-A199 HydrophobicContact CD1-CB 3.21Å; I50-A199 HydrophobicContact CG1-CB 3.68Å; I50-A199 HydrophobicContact CG2-CB 4.07Å; I50-Y200 HydrophobicContact CD1-CD1 4.05Å; I50-Y200 HydrophobicContact CD1-CE1 3.86Å
51	L	87.2	Confident	83.9	Confident	103 Å²	103	92.3 Å²	92.3	54%	0.539	47%	0.471	S	S	.	.			trans	-87.3	108.5	173.5	-178.7	59.4	0	0	0	109.6	L44 I53	L44-L51 HydrophobicContact CD2-CB 4.28Å; L44-L51 HydrophobicContact CD2-CD2 4.5Å; L51-I53 HydrophobicContact CD1-CG1 4.47Å; L51-I53 HydrophobicContact CD2-CD1 3.81Å; L51-I53 HydrophobicContact CD2-CG1 4.42Å; L51-I53 HydrophobicContact CG-CD1 3.93Å; L51-I53 HydrophobicContact CG-CG1 4.02Å
52	W	88.9	Confident	83.7	Confident	120 Å²	120	92.5 Å²	92.5	46%	0.455	49%	0.485	S	S	.	.			trans	-86.9	129.7	172.5	-61.8	96.4	0	0	0	110	I50 I86 I195 A199	I50-W52 HydrophobicContact CG2-CD2 4.22Å; I50-W52 HydrophobicContact CG2-CH2 4.48Å; I50-W52 HydrophobicContact CG2-CZ2 3.85Å; W52-I86 HydrophobicContact CH2-CD1 3.51Å; W52-I86 HydrophobicContact CZ3-CD1 3.34Å; W52-I86 HydrophobicContact CZ3-CG1 4.11Å; W52-I195 HydrophobicContact CH2-CB 3.56Å; W52-I195 HydrophobicContact CH2-CD1 4.26Å; W52-I195 HydrophobicContact CH2-CG1 4.07Å; W52-I195 WeakPolarHBondContact CH2-O 3.47Å; W52-I195 HydrophobicContact CZ2-CB 3.89Å; W52-I195 HydrophobicContact CZ2-CD1 4.04Å; W52-I195 HydrophobicContact CZ2-CG1 3.89Å; W52-I195 WeakPolarHBondContact CZ2-O 3.37Å; W52-I195 HydrophobicContact CZ3-CB 4.23Å; W52-A199 HydrophobicContact CH2-CB 4.21Å; W52-A199 HydrophobicContact CZ2-CB 3.95Å
53	I	90.9	Very high	83.6	Confident	78 Å²	78	90.1 Å²	90.1	40%	0.4	48%	0.48	S	S	.	.			trans	-131.4	133	177.7	-66	167.3	0	0	0	107.5	L51 C55 L74	L51-I53 HydrophobicContact CD1-CG1 4.47Å; L51-I53 HydrophobicContact CD2-CD1 3.81Å; L51-I53 HydrophobicContact CD2-CG1 4.42Å; L51-I53 HydrophobicContact CG-CD1 3.93Å; L51-I53 HydrophobicContact CG-CG1 4.02Å; I53-C55 PolarHBondContact O-N 3.14Å; I53-L74 HydrophobicContact CB-CD2 4.21Å; I53-L74 HydrophobicContact CD1-CD1 4.37Å; I53-L74 HydrophobicContact CD1-CD2 3.67Å; I53-L74 HydrophobicContact CG2-CD1 4.18Å; I53-L74 HydrophobicContact CG2-CD2 4.2Å
54	E	89.2	Confident	83.9	Confident	161 Å²	161	84.4 Å²	84.4	75%	0.752	46%	0.462	S	S	*	.			trans	-58.2	137.9	173.3	-64	-177.8	173.4	0	0	110.1	E56	E54-E56 HydrophobicContact CB-CB 4.49Å; E54-E56 HydrophobicContact CB-CG 4.01Å; E54-E56 PolarHBondContact O-N 3.23Å
55	C	87.3	Confident	84.4	Confident	66 Å²	66	81.2 Å²	81.2	45%	0.446	45%	0.446	S	S	.	.	S	Bend	trans	-78.7	49.2	-178.2	-164.5	0	0	0	0	111.4	I53 R161	I53-C55 PolarHBondContact O-N 3.14Å; C55-R161 PolarHBondContact O-NE 2.88Å; C55-R161 PolarHBondContact O-NH2 3.24Å
56	E	83.1	Confident	85.2	Confident	87 Å²	87	78.2 Å²	78.2	41%	0.407	42%	0.423	S	S	.	.			trans	-96.9	-171.3	-174.1	-72.5	-55.8	148.5	0	0	113.1	E54 R161	E54-E56 HydrophobicContact CB-CB 4.49Å; E54-E56 HydrophobicContact CB-CG 4.01Å; E54-E56 PolarHBondContact O-N 3.23Å; E56-R161 IonicContact OE1-NH2 2.81Å; E56-R161 IonicContact OE2-NH2 3.13Å; E56-R161 PolarHBondContact OE2-NH2 2.71Å
57	S	86.6	Confident	85.8	Confident	70 Å²	70	78.2 Å²	78.2	49%	0.49	42%	0.423	S	S	.	.			trans	-62.7	165.2	178.3	92.4	0	0	0	0	112.4	Y59	S57-Y59 PolarHBondContact O-N 2.88Å; S57-Y59 VanDerWaalsContact O-N 3.12Å; S57-Y59 PolarHBondContact OG-N 3.17Å; S57-Y59 PolarHBondContact OG-O 2.82Å
58	R	90.4	Very high	86.8	Confident	63 Å²	63	81.5 Å²	81.5	24%	0.238	44%	0.438	C	S	.	.	S	Bend	trans	-57.4	-24.4	171.9	-175	177	177.4	161.7	3.2	113.1	G65 L66 D68 W71	R58-G65 CarbonylContact O-C 3.54Å; R58-G65 WeakPolarHBondContact O-CA 3.42Å; R58-L66 HydrophobicContact CG-CB 4.38Å; R58-L66 PolarHBondContact NE-O 2.88Å; R58-L66 PolarHBondContact NH2-O 3.1Å; R58-L66 WeakPolarHBondContact O-CG 3.3Å; R58-L66 PolarHBondContact O-N 3.21Å; R58-D68 IonicContact CZ-OD1 3.7Å; R58-D68 IonicContact NH1-OD1 3.59Å; R58-D68 PolarHBondContact NH1-OD1 2.97Å; R58-D68 IonicContact NH2-OD1 3.58Å; R58-D68 PolarHBondContact NH2-OD1 3.3Å; R58-W71 HydrophobicContact CB-CD2 3.82Å; R58-W71 HydrophobicContact CB-CE3 4.07Å; R58-W71 HydrophobicContact CB-CG 4.37Å; R58-W71 HydrophobicContact CB-CH2 4.12Å; R58-W71 HydrophobicContact CB-CZ2 3.84Å; R58-W71 HydrophobicContact CB-CZ3 4.22Å; R58-W71 HydrophobicContact CG-CB 4.42Å; R58-W71 HydrophobicContact CG-CD2 3.82Å; R58-W71 HydrophobicContact CG-CE3 4.27Å; R58-W71 HydrophobicContact CG-CG 3.87Å
59	Y	90.5	Very high	87.6	Confident	133 Å²	133	77.3 Å²	77.3	52%	0.522	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	134.6	-170.2	-64.6	-84.1	0	0	0	112.1	S57 C64	S57-Y59 PolarHBondContact O-N 2.88Å; S57-Y59 VanDerWaalsContact O-N 3.12Å; S57-Y59 PolarHBondContact OG-N 3.17Å; S57-Y59 PolarHBondContact OG-O 2.82Å; Y59-C64 CarbonylContact C-O 3.52Å; Y59-C64 WeakPolarHBondContact CA-O 3.5Å
60	V	86.9	Confident	88.1	Confident	87 Å²	87	75.5 Å²	75.5	53%	0.527	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	107.4	165.1	-178.2	0	0	0	0	107.3	F29 C64	F29-V60 HydrophobicContact CE2-CB 4.41Å; F29-V60 HydrophobicContact CE2-CG2 4.37Å; F29-V60 HydrophobicContact CZ-CB 4.34Å; F29-V60 HydrophobicContact CZ-CG2 3.98Å; V60-C64 PolarHBondContact N-O 3.23Å
61	G	85	Confident	88.6	Confident	54 Å²	54	74.9 Å²	74.9	56%	0.557	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	65	-162	-171.3	0	0	0	0	0	112.6	V63	G61-V63 PolarHBondContact O-N 2.9Å
62	P	81.4	Confident	88.9	Confident	131 Å²	131	73.7 Å²	73.7	85%	0.851	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-18.9	-169	25.9	-31.3	0	0	0	115.3
63	V	82.1	Confident	89	Confident	82 Å²	82	73.9 Å²	73.9	50%	0.497	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127	-27.7	-166.1	-175.6	0	0	0	0	113.7	P25 Q26 G61	P25-V63 HydrophobicContact CB-CG1 4.11Å; P25-V63 HydrophobicContact CG-CG1 4.47Å; Q26-V63 PolarHBondContact OE1-O 3.41Å; G61-V63 PolarHBondContact O-N 2.9Å
64	C	90.5	Very high	89.1	Confident	28 Å²	28	71.5 Å²	71.5	19%	0.189	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	107.2	-168.6	-65.4	0	0	0	0	111.3	F29 Y59 V60	F29-C64 HydrophobicContact CB-CB 3.95Å; F29-C64 HydrophobicContact CD1-CB 3.81Å; F29-C64 HydrophobicContact CD2-CB 3.94Å; F29-C64 HydrophobicContact CE1-CB 4.29Å; F29-C64 HydrophobicContact CE2-CB 4.4Å; F29-C64 HydrophobicContact CG-CB 3.61Å; Y59-C64 CarbonylContact C-O 3.52Å; Y59-C64 WeakPolarHBondContact CA-O 3.5Å; V60-C64 PolarHBondContact N-O 3.23Å
65	G	91.4	Very high	89.2	Confident	1 Å²	1	70.2 Å²	70.2	1%	0.01	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	150.1	175.9	0	0	0	0	0	112.9	Q26 F29 R58	Q26-G65 PolarHBondContact NE2-O 3.45Å; F29-G65 WeakPolarHBondContact CD1-O 3.27Å; F29-G65 VanDerWaalsContact CE1-O 3.23Å; F29-G65 WeakPolarHBondContact CE1-O 3.32Å; R58-G65 CarbonylContact O-C 3.54Å; R58-G65 WeakPolarHBondContact O-CA 3.42Å
66	L	91.8	Very high	89.5	Confident	21 Å²	21	68.4 Å²	68.4	11%	0.11	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-63.1	145.8	165.9	-58.4	179.1	0	0	0	110.4	F29 L33 R58 L70 W71 L74	F29-L66 HydrophobicContact CE1-CD2 4.24Å; F29-L66 HydrophobicContact CZ-CD2 4.08Å; L33-L66 HydrophobicContact CD2-CD2 3.96Å; R58-L66 HydrophobicContact CG-CB 4.38Å; R58-L66 PolarHBondContact NE-O 2.88Å; R58-L66 PolarHBondContact NH2-O 3.1Å; R58-L66 WeakPolarHBondContact O-CG 3.3Å; R58-L66 PolarHBondContact O-N 3.21Å; L66-L70 HydrophobicContact CB-CD2 4.44Å; L66-L70 HydrophobicContact CD1-CD2 4.36Å; L66-L70 HydrophobicContact CD1-CG 4.45Å; L66-L70 HydrophobicContact CD2-CD2 3.94Å; L66-L70 HydrophobicContact CG-CD2 4.47Å; L66-W71 HydrophobicContact CB-CB 4.36Å; L66-W71 HydrophobicContact CD1-CE3 4.16Å; L66-L74 HydrophobicContact CD1-CD1 3.51Å
67	S	91.6	Very high	90.1	Very high	46 Å²	46	65.7 Å²	65.7	32%	0.322	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-61	154	175	67.6	0	0	0	0	111.1	G69 L70 W71	S67-G69 PolarHBondContact O-N 3.01Å; S67-L70 PolarHBondContact O-N 3.12Å; S67-W71 VanDerWaalsContact O-CB 3.31Å; S67-W71 WeakPolarHBondContact O-CB 3.24Å; S67-W71 PolarHBondContact O-N 2.88Å
68	D	91.3	Very high	90.5	Very high	111 Å²	111	65.6 Å²	65.6	59%	0.594	37%	0.368	S	S	*	.	H	α-helix	trans	-57.9	-38.2	-177.1	-72	-37.4	0	0	0	112.5	R58 W71 S72	R58-D68 IonicContact CZ-OD1 3.7Å; R58-D68 IonicContact NH1-OD1 3.59Å; R58-D68 PolarHBondContact NH1-OD1 2.97Å; R58-D68 IonicContact NH2-OD1 3.58Å; R58-D68 PolarHBondContact NH2-OD1 3.3Å; D68-W71 PolarHBondContact O-N 3.17Å; D68-S72 WeakPolarHBondContact O-CB 3.36Å; D68-S72 PolarHBondContact O-N 3.14Å
69	G	91.3	Very high	90.4	Very high	56 Å²	56	66.2 Å²	66.2	58%	0.577	38%	0.381	S	S	*	.	H	α-helix	trans	-62.6	-48.6	178.1	0	0	0	0	0	112.7	S67 R73	S67-G69 PolarHBondContact O-N 3.01Å; G69-R73 WeakPolarHBondContact O-CB 3.5Å; G69-R73 PolarHBondContact O-N 2.92Å
70	L	90.5	Very high	90.3	Very high	39 Å²	39	66.5 Å²	66.5	20%	0.204	39%	0.391	C	S	.	.	H	α-helix	trans	-67.7	-42.3	178.1	178.4	57.3	0	0	0	111.1	L33 L66 S67 R73 L74	L33-L70 HydrophobicContact CD2-CD2 3.84Å; L66-L70 HydrophobicContact CB-CD2 4.44Å; L66-L70 HydrophobicContact CD1-CD2 4.36Å; L66-L70 HydrophobicContact CD1-CG 4.45Å; L66-L70 HydrophobicContact CD2-CD2 3.94Å; L66-L70 HydrophobicContact CG-CD2 4.47Å; S67-L70 PolarHBondContact O-N 3.12Å; L70-R73 WeakPolarHBondContact O-CB 3.49Å; L70-R73 PolarHBondContact O-N 3.22Å; L70-L74 HydrophobicContact CD1-CD1 4.26Å; L70-L74 HydrophobicContact CD1-CG 4.22Å; L70-L74 HydrophobicContact CG-CD1 4.14Å; L70-L74 WeakPolarHBondContact O-CG 3.09Å; L70-L74 PolarHBondContact O-N 3.37Å
71	W	93.1	Very high	90.4	Very high	35 Å²	35	65.5 Å²	65.5	13%	0.133	39%	0.385	C	S	.	.	H	α-helix	trans	-65.4	-42	179.5	-175.8	-124.7	0	0	0	112.6	R58 L66 S67 D68 R73 L74 R75	R58-W71 HydrophobicContact CB-CD2 3.82Å; R58-W71 HydrophobicContact CB-CE3 4.07Å; R58-W71 HydrophobicContact CB-CG 4.37Å; R58-W71 HydrophobicContact CB-CH2 4.12Å; R58-W71 HydrophobicContact CB-CZ2 3.84Å; R58-W71 HydrophobicContact CB-CZ3 4.22Å; R58-W71 HydrophobicContact CG-CB 4.42Å; R58-W71 HydrophobicContact CG-CD2 3.82Å; R58-W71 HydrophobicContact CG-CE3 4.27Å; R58-W71 HydrophobicContact CG-CG 3.87Å; L66-W71 HydrophobicContact CB-CB 4.36Å; L66-W71 HydrophobicContact CD1-CE3 4.16Å; S67-W71 VanDerWaalsContact O-CB 3.31Å; S67-W71 WeakPolarHBondContact O-CB 3.24Å; S67-W71 PolarHBondContact O-N 2.88Å; D68-W71 PolarHBondContact O-N 3.17Å; W71-R73 VanDerWaalsContact C-N 3.32Å; W71-R73 PolarHBondContact O-N 3.18Å; W71-L74 HydrophobicContact CE3-CB 4.45Å; W71-L74 HydrophobicContact CE3-CD1 4.38Å; W71-L74 PolarHBondContact O-N 3.17Å; W71-R75 HydrophobicContact CD2-CG 4.28Å; W71-R75 HydrophobicContact CH2-CG 4.22Å; W71-R75 HydrophobicContact CZ2-CG 3.98Å; W71-R75 HydrophobicContact CZ3-CG 4.49Å; W71-R75 PolarHBondContact O-N 3.34Å
72	S	92.5	Very high	90.5	Very high	78 Å²	78	63.3 Å²	63.3	55%	0.545	36%	0.363	S	S	.	.	H	α-helix	trans	-62.6	-40.6	173.5	-171.7	0	0	0	0	111.2	D68 R75 S76	D68-S72 WeakPolarHBondContact O-CB 3.36Å; D68-S72 PolarHBondContact O-N 3.14Å; S72-R75 PolarHBondContact O-N 2.74Å; S72-S76 PolarHBondContact O-N 2.78Å
73	R	91.4	Very high	91	Very high	125 Å²	125	58.7 Å²	58.7	47%	0.472	33%	0.332	S	S	.	.	H	α-helix	trans	-60.6	-49.8	175	-179.4	62.6	-176.1	-155.4	7.9	111	G69 L70 W71 R75 S76 V81 T83	G69-R73 WeakPolarHBondContact O-CB 3.5Å; G69-R73 PolarHBondContact O-N 2.92Å; L70-R73 WeakPolarHBondContact O-CB 3.49Å; L70-R73 PolarHBondContact O-N 3.22Å; W71-R73 VanDerWaalsContact C-N 3.32Å; W71-R73 PolarHBondContact O-N 3.18Å; R73-R75 VanDerWaalsContact C-N 3.25Å; R73-R75 PolarHBondContact O-N 2.93Å; R73-S76 WeakPolarHBondContact O-CB 3.44Å; R73-S76 PolarHBondContact O-N 2.9Å; R73-S76 VanDerWaalsContact O-N 3.12Å; R73-V81 WeakPolarHBondContact CD-O 3.27Å; R73-V81 PolarHBondContact NE-O 2.95Å; R73-V81 VanDerWaalsContact NE-O 3.07Å; R73-V81 PolarHBondContact NH1-O 3.31Å; R73-V81 PolarHBondContact NH2-O 3.27Å; R73-T83 PolarHBondContact O-OG1 3.35Å; R73-T83 VanDerWaalsContact O-OG1 3.06Å
74	L	92.3	Very high	91.5	Very high	28 Å²	28	58.4 Å²	58.4	15%	0.147	33%	0.325	C	S	.	.	H	α-helix	trans	-62.4	-29.8	-179.8	-71.4	173.2	0	0	0	113.8	I53 L66 L70 W71 R85	I53-L74 HydrophobicContact CB-CD2 4.21Å; I53-L74 HydrophobicContact CD1-CD1 4.37Å; I53-L74 HydrophobicContact CD1-CD2 3.67Å; I53-L74 HydrophobicContact CG2-CD1 4.18Å; I53-L74 HydrophobicContact CG2-CD2 4.2Å; L66-L74 HydrophobicContact CD1-CD1 3.51Å; L70-L74 HydrophobicContact CD1-CD1 4.26Å; L70-L74 HydrophobicContact CD1-CG 4.22Å; L70-L74 HydrophobicContact CG-CD1 4.14Å; L70-L74 WeakPolarHBondContact O-CG 3.09Å; L70-L74 PolarHBondContact O-N 3.37Å; W71-L74 HydrophobicContact CE3-CB 4.45Å; W71-L74 HydrophobicContact CE3-CD1 4.38Å; W71-L74 PolarHBondContact O-N 3.17Å; L74-R85 PolarHBondContact O-NH2 2.87Å
75	R	92.5	Very high	91.6	Very high	134 Å²	134	57.9 Å²	57.9	51%	0.506	32%	0.319	S	S	.	.	H	α-helix	trans	-90.5	-10.4	176.5	-69.1	-156.6	-56.1	-152	2	114.5	W71 S72 R73 T77 R85	W71-R75 HydrophobicContact CD2-CG 4.28Å; W71-R75 HydrophobicContact CH2-CG 4.22Å; W71-R75 HydrophobicContact CZ2-CG 3.98Å; W71-R75 HydrophobicContact CZ3-CG 4.49Å; W71-R75 PolarHBondContact O-N 3.34Å; S72-R75 PolarHBondContact O-N 2.74Å; R73-R75 VanDerWaalsContact C-N 3.25Å; R73-R75 PolarHBondContact O-N 2.93Å; R75-T77 PolarHBondContact O-N 3.39Å; R75-R85 PolarHBondContact O-NH2 3.17Å
76	S	94	Very high	91.7	Very high	27 Å²	27	60 Å²	60	19%	0.189	33%	0.33	C	S	.	.			trans	-60.9	137.9	-178.9	-177.5	0	0	0	0	111.3	S72 R73 D78 T83 R85	S72-S76 PolarHBondContact O-N 2.78Å; R73-S76 WeakPolarHBondContact O-CB 3.44Å; R73-S76 PolarHBondContact O-N 2.9Å; R73-S76 VanDerWaalsContact O-N 3.12Å; S76-D78 PolarHBondContact OG-N 3.05Å; S76-T83 PolarHBondContact O-N 3.28Å; S76-R85 PolarHBondContact O-NH1 3.38Å; S76-R85 PolarHBondContact O-NH2 3.44Å; S76-R85 VanDerWaalsContact O-NH2 3.12Å
77	T	95.3	Very high	91.8	Very high	30 Å²	30	63.2 Å²	63.2	18%	0.184	34%	0.341	C	S	.	.			trans	-118.3	7.9	174.4	52.7	0	0	0	0	112	R75 M164 D167 A168 N171 L173	R75-T77 PolarHBondContact O-N 3.39Å; T77-M164 HydrophobicContact CG2-CG 4.27Å; T77-D167 HydrophobicContact CG2-CB 3.83Å; T77-A168 HydrophobicContact CG2-CB 4.13Å; T77-N171 WeakPolarHBondContact O-CB 3.22Å; T77-N171 VanDerWaalsContact O-CG 3.25Å; T77-N171 PolarHBondContact O-ND2 3.31Å; T77-L173 VanDerWaalsContact C-CD1 3.47Å; T77-L173 VanDerWaalsContact O-CD1 3.3Å; T77-L173 WeakPolarHBondContact O-CD1 3.37Å
78	D	93.9	Very high	91.9	Very high	68 Å²	68	64 Å²	64	36%	0.364	34%	0.341	S	S	.	.			trans	-64.1	129	173.3	-177.1	-47.5	0	0	0	110	S76 N80 V81 G82	S76-D78 PolarHBondContact OG-N 3.05Å; D78-N80 PolarHBondContact O-N 2.94Å; D78-N80 VanDerWaalsContact O-N 3.12Å; D78-N80 WeakPolarHBondContact OD1-CA 3.49Å; D78-N80 VanDerWaalsContact OD1-CB 3.31Å; D78-N80 WeakPolarHBondContact OD1-CB 3.48Å; D78-N80 PolarHBondContact OD1-N 3.28Å; D78-N80 PolarHBondContact OD1-ND2 3.45Å; D78-V81 HydrophobicContact CB-CG2 3.65Å; D78-V81 PolarHBondContact O-N 2.87Å; D78-G82 WeakPolarHBondContact O-CA 3.3Å; D78-G82 PolarHBondContact O-N 2.71Å
79	P	89.6	Confident	91.9	Very high	77 Å²	77	61.5 Å²	61.5	50%	0.5	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-21.7	-177.9	24.4	-34.2	0	0	0	114.5
80	N	88.8	Confident	92.1	Very high	139 Å²	139	59.8 Å²	59.8	74%	0.743	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-30.5	-178.8	-53.8	-70.2	0	0	0	113.1	D78	D78-N80 PolarHBondContact O-N 2.94Å; D78-N80 VanDerWaalsContact O-N 3.12Å; D78-N80 WeakPolarHBondContact OD1-CA 3.49Å; D78-N80 VanDerWaalsContact OD1-CB 3.31Å; D78-N80 WeakPolarHBondContact OD1-CB 3.48Å; D78-N80 PolarHBondContact OD1-N 3.28Å; D78-N80 PolarHBondContact OD1-ND2 3.45Å
81	V	87.9	Confident	92.3	Very high	65 Å²	65	60.9 Å²	60.9	39%	0.394	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.8	7.7	-171.8	-63.1	0	0	0	0	113.3	R73 D78	R73-V81 WeakPolarHBondContact CD-O 3.27Å; R73-V81 PolarHBondContact NE-O 2.95Å; R73-V81 VanDerWaalsContact NE-O 3.07Å; R73-V81 PolarHBondContact NH1-O 3.31Å; R73-V81 PolarHBondContact NH2-O 3.27Å; D78-V81 HydrophobicContact CB-CG2 3.65Å; D78-V81 PolarHBondContact O-N 2.87Å
82	G	88.1	Confident	92.3	Very high	9 Å²	9	60.6 Å²	60.6	9%	0.093	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-77	163.1	-176.4	0	0	0	0	0	112.6	D78	D78-G82 WeakPolarHBondContact O-CA 3.3Å; D78-G82 PolarHBondContact O-N 2.71Å
83	T	92.1	Very high	92.5	Very high	34 Å²	34	63.1 Å²	63.1	21%	0.209	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-94.2	126.1	175.1	-71.4	0	0	0	0	109.5	R73 S76 R85	R73-T83 PolarHBondContact O-OG1 3.35Å; R73-T83 VanDerWaalsContact O-OG1 3.06Å; S76-T83 PolarHBondContact O-N 3.28Å; T83-R85 PolarHBondContact O-NH1 3.17Å
84	H	92.2	Very high	92.7	Very high	75 Å²	75	57.4 Å²	57.4	35%	0.347	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-68.2	140.3	168.9	-69.9	-88.5	0	0	0	110.3	L173 H175 T202	H84-L173 CarbonylContact C-O 3.54Å; H84-L173 WeakPolarHBondContact CA-O 3.03Å; H84-L173 WeakPolarHBondContact CE1-CD2 3.46Å; H84-L173 WeakPolarHBondContact NE2-CD2 3.3Å; H84-H175 AromaticContact ND1-CD2 3.9Å; H84-H175 AromaticContact ND1-NE2 3.11Å; H84-H175 PolarHBondContact ND1-NE2 3.09Å; H84-H175 VanDerWaalsContact ND1-NE2 3.11Å; H84-T202 WeakPolarHBondContact NE2-CG2 3.48Å
85	R	93.1	Very high	92.9	Very high	17 Å²	17	59.5 Å²	59.5	6%	0.064	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	131.6	-175.9	-67.3	174.7	-176.8	81	0	109	L74 R75 S76 T83 L173 H175	L74-R85 PolarHBondContact O-NH2 2.87Å; R75-R85 PolarHBondContact O-NH2 3.17Å; S76-R85 PolarHBondContact O-NH1 3.38Å; S76-R85 PolarHBondContact O-NH2 3.44Å; S76-R85 VanDerWaalsContact O-NH2 3.12Å; T83-R85 PolarHBondContact O-NH1 3.17Å; R85-L173 PolarHBondContact N-O 3.3Å; R85-H175 PolarHBondContact O-N 2.84Å
86	I	93	Very high	93.1	Very high	45 Å²	45	53.3 Å²	53.3	23%	0.231	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	122.4	176.8	-54.3	-169.8	0	0	0	108.1	W52 I88 H175 I177 I195 L198	W52-I86 HydrophobicContact CH2-CD1 3.51Å; W52-I86 HydrophobicContact CZ3-CD1 3.34Å; W52-I86 HydrophobicContact CZ3-CG1 4.11Å; I86-I88 HydrophobicContact CG2-CD1 3.81Å; I86-H175 CarbonylContact C-O 3.53Å; I86-H175 WeakPolarHBondContact CA-O 3.25Å; I86-H175 HydrophobicContact CG1-CB 4.44Å; I86-I177 HydrophobicContact CG2-CD1 3.74Å; I86-I177 HydrophobicContact CG2-CG1 4.14Å; I86-I195 HydrophobicContact CD1-CB 3.6Å; I86-I195 HydrophobicContact CD1-CG2 3.39Å; I86-I195 HydrophobicContact CG2-CG2 4.14Å; I86-L198 HydrophobicContact CD1-CD2 3.67Å; I86-L198 HydrophobicContact CG1-CD2 3.96Å
87	W	93.3	Very high	93.1	Very high	90 Å²	90	54.8 Å²	54.8	34%	0.341	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	113.9	174.2	-176.1	-91.8	0	0	0	109.1	D89 M165 F174 H175 R176 I177	W87-D89 PolarHBondContact O-N 3.39Å; W87-M165 HydrophobicContact CD2-CE 3.93Å; W87-M165 HydrophobicContact CE3-CE 3.49Å; W87-M165 VanDerWaalsContact CE3-CE 3.49Å; W87-M165 HydrophobicContact CE3-SD 4.45Å; W87-M165 HydrophobicContact CH2-CE 4.37Å; W87-M165 HydrophobicContact CZ3-CE 3.73Å; W87-M165 HydrophobicContact CZ3-SD 4.25Å; W87-F174 HydrophobicContact CB-CE1 4.34Å; W87-F174 HydrophobicContact CB-CE2 3.64Å; W87-F174 HydrophobicContact CB-CZ 3.39Å; W87-F174 HydrophobicContact CG-CE2 4.3Å; W87-F174 AromaticContact CG-CZ 3.86Å; W87-F174 HydrophobicContact CG-CZ 3.86Å; W87-H175 PolarHBondContact N-O 3.22Å; W87-R176 WeakPolarHBondContact O-CA 3.34Å; W87-I177 PolarHBondContact O-N 3.29Å
88	I	92.9	Very high	93	Very high	63 Å²	63	57 Å²	57	32%	0.323	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	104.3	175.4	-50.9	-64.2	0	0	0	107.1	I86 I90 I177 L179 I191	I86-I88 HydrophobicContact CG2-CD1 3.81Å; I88-I90 HydrophobicContact CG2-CD1 3.5Å; I88-I90 VanDerWaalsContact CG2-CD1 3.5Å; I88-I90 HydrophobicContact CG2-CG1 3.91Å; I88-I177 HydrophobicContact CD1-CB 4.15Å; I88-I177 HydrophobicContact CD1-CD1 4.15Å; I88-L179 HydrophobicContact CG2-CD1 4.06Å; I88-I191 HydrophobicContact CD1-CD1 4.37Å; I88-I191 HydrophobicContact CD1-CG2 3.88Å; I88-I191 HydrophobicContact CG2-CD1 4.21Å
89	D	93	Very high	93.1	Very high	57 Å²	57	56 Å²	56	31%	0.305	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	103.3	-174.4	-169	21.3	0	0	0	109.7	W87 R176 I177 S178 L179	W87-D89 PolarHBondContact O-N 3.39Å; D89-R176 HydrophobicContact CB-CG 3.9Å; D89-I177 PolarHBondContact N-O 3.27Å; D89-S178 CarbonylContact O-C 3.54Å; D89-S178 VanDerWaalsContact O-CA 3.31Å; D89-S178 WeakPolarHBondContact O-CA 3.4Å; D89-S178 PolarHBondContact OD2-OG 2.87Å; D89-L179 PolarHBondContact O-N 3.45Å
90	I	94.1	Very high	93.3	Very high	21 Å²	21	54.2 Å²	54.2	11%	0.108	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	144	-177	-62.8	155.7	0	0	0	108.2	I88 A94 R95 L179 V182	I88-I90 HydrophobicContact CG2-CD1 3.5Å; I88-I90 VanDerWaalsContact CG2-CD1 3.5Å; I88-I90 HydrophobicContact CG2-CG1 3.91Å; I90-A94 HydrophobicContact CG2-CB 3.43Å; I90-A94 VanDerWaalsContact CG2-CB 3.43Å; I90-R95 HydrophobicContact CB-CG 4.05Å; I90-R95 HydrophobicContact CG2-CG 4.05Å; I90-R95 PolarHBondContact O-NE 3.02Å; I90-L179 HydrophobicContact CG1-CB 4.13Å; I90-V182 HydrophobicContact CD1-CB 3.67Å; I90-V182 HydrophobicContact CD1-CG1 3.77Å; I90-V182 HydrophobicContact CD1-CG2 4.22Å; I90-V182 HydrophobicContact CG1-CB 4.47Å
91	T	94.3	Very high	93.5	Very high	61 Å²	61	54.1 Å²	54.1	37%	0.374	27%	0.273	S	S	.	.			trans	-55.2	151.6	177	63	0	0	0	0	111.7	E93 A94 R95 P180	T91-E93 WeakPolarHBondContact CB-OE2 3.43Å; T91-E93 PolarHBondContact O-N 3.45Å; T91-A94 PolarHBondContact O-N 3.14Å; T91-A94 VanDerWaalsContact OG1-CB 3.25Å; T91-A94 WeakPolarHBondContact OG1-CB 3.19Å; T91-A94 PolarHBondContact OG1-N 3.4Å; T91-R95 WeakPolarHBondContact O-CG 3.32Å; T91-R95 PolarHBondContact O-N 2.92Å; T91-P180 PolarHBondContact OG1-O 2.66Å
92	E	95	Very high	93.6	Very high	30 Å²	30	54.9 Å²	54.9	14%	0.14	28%	0.275	C	S	.	.	H	α-helix	trans	-58.3	-41.7	178.5	-170.2	-175.1	69.6	0	0	110.7	A94 R95 V96 T146 R150	E92-A94 PolarHBondContact O-N 3.05Å; E92-R95 WeakPolarHBondContact O-CB 3.3Å; E92-R95 PolarHBondContact O-N 2.81Å; E92-V96 HydrophobicContact CG-CG2 4.48Å; E92-V96 WeakPolarHBondContact O-CG2 3.09Å; E92-V96 PolarHBondContact O-N 2.66Å; E92-T146 WeakPolarHBondContact OE1-CG2 3.33Å; E92-R150 IonicContact OE1-CZ 3.1Å; E92-R150 IonicContact OE1-NE 3.51Å; E92-R150 IonicContact OE1-NH2 3.99Å; E92-R150 PolarHBondContact OE1-NH2 2.86Å; E92-R150 IonicContact OE2-CZ 2.66Å; E92-R150 IonicContact OE2-NE 3.79Å; E92-R150 PolarHBondContact OE2-NE 3.18Å; E92-R150 VanDerWaalsContact OE2-NE 3.1Å; E92-R150 IonicContact OE2-NH2 2.65Å; E92-R150 PolarHBondContact OE2-NH2 3.42Å
93	E	95.9	Very high	93.7	Very high	130 Å²	130	59.6 Å²	59.6	61%	0.607	29%	0.291	S	S	*	.	H	α-helix	trans	-61.3	-44.6	-179.7	-60.5	73.4	-159.9	0	0	111.5	T91 V96 A97	T91-E93 WeakPolarHBondContact CB-OE2 3.43Å; T91-E93 PolarHBondContact O-N 3.45Å; E93-V96 PolarHBondContact O-N 3.41Å; E93-A97 WeakPolarHBondContact O-CB 3.28Å; E93-A97 PolarHBondContact O-N 2.9Å
94	A	95.7	Very high	93.4	Very high	6 Å²	6	59.8 Å²	59.8	5%	0.05	29%	0.294	C	S	.	.	H	α-helix	trans	-71.4	-33.9	177.7	0	0	0	0	0	112.5	I90 T91 E92 W98 N181	I90-A94 HydrophobicContact CG2-CB 3.43Å; I90-A94 VanDerWaalsContact CG2-CB 3.43Å; T91-A94 PolarHBondContact O-N 3.14Å; T91-A94 VanDerWaalsContact OG1-CB 3.25Å; T91-A94 WeakPolarHBondContact OG1-CB 3.19Å; T91-A94 PolarHBondContact OG1-N 3.4Å; E92-A94 PolarHBondContact O-N 3.05Å; A94-W98 WeakPolarHBondContact O-CB 3.3Å; A94-W98 PolarHBondContact O-N 2.9Å; A94-N181 HydrophobicContact CB-CB 4.47Å; A94-N181 WeakPolarHBondContact CB-OD1 3.49Å
95	R	96	Very high	93.1	Very high	72 Å²	72	60.7 Å²	60.7	27%	0.272	31%	0.305	S	S	.	.	H	α-helix	trans	-62.2	-44.7	171.5	-70.6	-176.5	-67.1	153.5	4.2	110.9	I90 T91 E92 W98 I99 L149 D154	I90-R95 HydrophobicContact CB-CG 4.05Å; I90-R95 HydrophobicContact CG2-CG 4.05Å; I90-R95 PolarHBondContact O-NE 3.02Å; T91-R95 WeakPolarHBondContact O-CG 3.32Å; T91-R95 PolarHBondContact O-N 2.92Å; E92-R95 WeakPolarHBondContact O-CB 3.3Å; E92-R95 PolarHBondContact O-N 2.81Å; R95-W98 PolarHBondContact O-N 3.47Å; R95-I99 WeakPolarHBondContact O-CB 3.39Å; R95-I99 WeakPolarHBondContact O-CD1 3.43Å; R95-I99 WeakPolarHBondContact O-CG1 3.41Å; R95-I99 PolarHBondContact O-N 2.74Å; R95-L149 HydrophobicContact CB-CD1 4.2Å; R95-D154 IonicContact CZ-OD2 2.94Å; R95-D154 IonicContact NH1-OD1 3.05Å; R95-D154 PolarHBondContact NH1-OD1 2.74Å; R95-D154 IonicContact NH1-OD2 3.26Å; R95-D154 PolarHBondContact NH1-OD2 3.23Å; R95-D154 IonicContact NH2-OD2 3.49Å; R95-D154 PolarHBondContact NH2-OD2 2.8Å
96	V	96.3	Very high	92.5	Very high	4 Å²	4	61.2 Å²	61.2	2%	0.024	31%	0.312	C	S	.	.	H	α-helix	trans	-62.2	-48.7	177.5	172.1	0	0	0	0	110.7	E92 E93 W98 I99 L100 T142 V145 T146 L149	E92-V96 HydrophobicContact CG-CG2 4.48Å; E92-V96 WeakPolarHBondContact O-CG2 3.09Å; E92-V96 PolarHBondContact O-N 2.66Å; E93-V96 PolarHBondContact O-N 3.41Å; V96-W98 PolarHBondContact O-N 2.92Å; V96-I99 PolarHBondContact O-N 3.15Å; V96-L100 HydrophobicContact CG1-CD1 3.94Å; V96-L100 HydrophobicContact CG1-CG 4.43Å; V96-L100 WeakPolarHBondContact O-CG 3.36Å; V96-L100 PolarHBondContact O-N 3.16Å; V96-T142 HydrophobicContact CG1-CG2 4.07Å; V96-V145 HydrophobicContact CB-CG1 4.42Å; V96-V145 HydrophobicContact CG1-CB 4.26Å; V96-V145 HydrophobicContact CG1-CG1 4.18Å; V96-V145 HydrophobicContact CG2-CG1 4.16Å; V96-T146 WeakPolarHBondContact CG2-OG1 3.38Å; V96-L149 HydrophobicContact CG2-CD1 3.81Å
97	A	94.6	Very high	92	Very high	57 Å²	57	60.6 Å²	60.6	47%	0.471	31%	0.311	S	S	.	.	H	α-helix	trans	-57.4	-47.8	177.4	0	0	0	0	0	111.9	E93 I99 L100 E101	E93-A97 WeakPolarHBondContact O-CB 3.28Å; E93-A97 PolarHBondContact O-N 2.9Å; A97-I99 PolarHBondContact O-N 3.06Å; A97-L100 PolarHBondContact O-N 2.83Å; A97-E101 PolarHBondContact O-N 3.49Å
98	W	94.1	Very high	91.5	Very high	76 Å²	76	65.1 Å²	65.1	29%	0.288	33%	0.328	S	S	.	.	H	α-helix	trans	-59.7	-43.8	177.3	175.8	-90.7	0	0	0	112.7	A94 R95 V96 E101 N102 V182 I187	A94-W98 WeakPolarHBondContact O-CB 3.3Å; A94-W98 PolarHBondContact O-N 2.9Å; R95-W98 PolarHBondContact O-N 3.47Å; V96-W98 PolarHBondContact O-N 2.92Å; W98-E101 PolarHBondContact O-N 2.84Å; W98-N102 VanDerWaalsContact CD2-ND2 3.29Å; W98-N102 VanDerWaalsContact CE2-ND2 3.3Å; W98-N102 WeakPolarHBondContact O-CB 3.23Å; W98-N102 PolarHBondContact O-N 3.46Å; W98-N102 PolarHBondContact O-ND2 3.34Å; W98-V182 HydrophobicContact CB-CG1 3.88Å; W98-V182 HydrophobicContact CD2-CG1 3.76Å; W98-V182 HydrophobicContact CE3-CB 4.45Å; W98-V182 HydrophobicContact CE3-CG1 3.72Å; W98-V182 HydrophobicContact CE3-CG2 4.31Å; W98-V182 VanDerWaalsContact CE3-O 3.3Å; W98-V182 HydrophobicContact CG-CG1 3.87Å; W98-V182 HydrophobicContact CZ3-CG2 4.31Å; W98-I187 HydrophobicContact CH2-CD1 3.72Å; W98-I187 HydrophobicContact CZ2-CD1 4.35Å; W98-I187 HydrophobicContact CZ3-CD1 4.39Å
99	I	94.7	Very high	91.4	Very high	48 Å²	48	65.2 Å²	65.2	25%	0.246	33%	0.329	C	S	.	.	H	α-helix	trans	-63.9	-46.4	178.8	-71.1	163	0	0	0	110.5	R95 V96 A97 E101 N102 Y103 V145 L149	R95-I99 WeakPolarHBondContact O-CB 3.39Å; R95-I99 WeakPolarHBondContact O-CD1 3.43Å; R95-I99 WeakPolarHBondContact O-CG1 3.41Å; R95-I99 PolarHBondContact O-N 2.74Å; V96-I99 PolarHBondContact O-N 3.15Å; A97-I99 PolarHBondContact O-N 3.06Å; I99-E101 VanDerWaalsContact C-N 3.29Å; I99-E101 PolarHBondContact O-N 3.12Å; I99-N102 PolarHBondContact O-N 2.9Å; I99-Y103 HydrophobicContact CG2-CD2 4.16Å; I99-Y103 WeakPolarHBondContact O-CA 3.45Å; I99-Y103 VanDerWaalsContact O-CB 3.31Å; I99-Y103 WeakPolarHBondContact O-CB 3.48Å; I99-Y103 WeakPolarHBondContact O-CD2 3.31Å; I99-Y103 PolarHBondContact O-N 2.9Å; I99-V145 HydrophobicContact CB-CG1 4.2Å; I99-V145 HydrophobicContact CD1-CG1 4.08Å; I99-V145 HydrophobicContact CG2-CG1 3.9Å; I99-V145 HydrophobicContact CG2-CG2 4.43Å; I99-L149 HydrophobicContact CD1-CD1 4.05Å; I99-L149 HydrophobicContact CD1-CD2 3.96Å; I99-L149 HydrophobicContact CD1-CG 4.36Å
100	L	94.1	Very high	91.3	Very high	40 Å²	40	64.5 Å²	64.5	21%	0.209	33%	0.327	C	S	.	.	H	α-helix	trans	-64	-35.7	-179.4	-70.4	174.3	0	0	0	112.2	V96 A97 S104 T107 F141 V145	V96-L100 HydrophobicContact CG1-CD1 3.94Å; V96-L100 HydrophobicContact CG1-CG 4.43Å; V96-L100 WeakPolarHBondContact O-CG 3.36Å; V96-L100 PolarHBondContact O-N 3.16Å; A97-L100 PolarHBondContact O-N 2.83Å; L100-S104 VanDerWaalsContact O-CA 3.3Å; L100-S104 WeakPolarHBondContact O-CA 3.46Å; L100-S104 WeakPolarHBondContact O-CB 3.21Å; L100-S104 PolarHBondContact O-N 3.43Å; L100-S104 VanDerWaalsContact O-N 3.16Å; L100-T107 HydrophobicContact CD2-CG2 4.31Å; L100-F141 HydrophobicContact CD2-CB 3.65Å; L100-V145 HydrophobicContact CD2-CG2 3.78Å; L100-V145 HydrophobicContact CG-CG2 4.42Å
101	E	92.5	Very high	91.2	Very high	137 Å²	137	68.1 Å²	68.1	64%	0.64	35%	0.352	S	S	*	.	H	α-helix	trans	-65.8	-55.8	174.6	-175.3	-179.2	176.4	0	0	111.3	A97 W98 I99 S104	A97-E101 PolarHBondContact O-N 3.49Å; W98-E101 PolarHBondContact O-N 2.84Å; I99-E101 VanDerWaalsContact C-N 3.29Å; I99-E101 PolarHBondContact O-N 3.12Å; E101-S104 PolarHBondContact O-OG 2.86Å
102	N	91.2	Very high	91	Very high	81 Å²	81	70.2 Å²	70.2	43%	0.433	36%	0.357	S	S	.	.	H	α-helix	trans	-77.1	-25.4	-171	-73.4	-90.8	0	0	0	113.6	W98 I99	W98-N102 VanDerWaalsContact CD2-ND2 3.29Å; W98-N102 VanDerWaalsContact CE2-ND2 3.3Å; W98-N102 WeakPolarHBondContact O-CB 3.23Å; W98-N102 PolarHBondContact O-N 3.46Å; W98-N102 PolarHBondContact O-ND2 3.34Å; I99-N102 PolarHBondContact O-N 2.9Å
103	Y	88.8	Confident	90.9	Very high	107 Å²	107	69.2 Å²	69.2	42%	0.42	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.3	23	178.7	-61	-89.9	0	0	0	112.3	I99 T105 A106	I99-Y103 HydrophobicContact CG2-CD2 4.16Å; I99-Y103 WeakPolarHBondContact O-CA 3.45Å; I99-Y103 VanDerWaalsContact O-CB 3.31Å; I99-Y103 WeakPolarHBondContact O-CB 3.48Å; I99-Y103 WeakPolarHBondContact O-CD2 3.31Å; I99-Y103 PolarHBondContact O-N 2.9Å; Y103-T105 PolarHBondContact O-N 3.32Å; Y103-A106 VanDerWaalsContact O-CB 3.3Å; Y103-A106 WeakPolarHBondContact O-CB 3.22Å; Y103-A106 PolarHBondContact O-N 2.9Å
104	S	86.2	Confident	90.7	Very high	39 Å²	39	65 Å²	65	27%	0.273	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-21.2	177.6	57.4	0	0	0	0	114.2	L100 E101 T107 R108	L100-S104 VanDerWaalsContact O-CA 3.3Å; L100-S104 WeakPolarHBondContact O-CA 3.46Å; L100-S104 WeakPolarHBondContact O-CB 3.21Å; L100-S104 PolarHBondContact O-N 3.43Å; L100-S104 VanDerWaalsContact O-N 3.16Å; E101-S104 PolarHBondContact O-OG 2.86Å; S104-T107 PolarHBondContact O-OG1 3.4Å; S104-R108 WeakPolarHBondContact O-CG 3.36Å
105	T	85.8	Confident	90.5	Very high	94 Å²	94	68 Å²	68	58%	0.577	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-33.1	173.4	50.2	0	0	0	0	112.2	Y103 T107 R108	Y103-T105 PolarHBondContact O-N 3.32Å; T105-T107 VanDerWaalsContact C-N 3.34Å; T105-R108 WeakPolarHBondContact O-CB 3.3Å; T105-R108 PolarHBondContact O-N 2.97Å
106	A	80.4	Confident	90.3	Very high	27 Å²	27	65.9 Å²	65.9	22%	0.223	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-65	-40.7	178.4	0	0	0	0	0	110.8	Y103 R108 N109 I113	Y103-A106 VanDerWaalsContact O-CB 3.3Å; Y103-A106 WeakPolarHBondContact O-CB 3.22Å; Y103-A106 PolarHBondContact O-N 2.9Å; A106-R108 PolarHBondContact O-N 3.47Å; A106-R108 VanDerWaalsContact O-N 3.17Å; A106-N109 PolarHBondContact O-N 2.92Å; A106-N109 VanDerWaalsContact O-N 3.17Å; A106-I113 WeakPolarHBondContact O-CD1 3.33Å
107	T	82.7	Confident	90	Very high	33 Å²	33	65.9 Å²	65.9	20%	0.202	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-65.5	-16.3	179.4	60.1	0	0	0	0	113.6	L100 S104 T105 F141	L100-T107 HydrophobicContact CD2-CG2 4.31Å; S104-T107 PolarHBondContact O-OG1 3.4Å; T105-T107 VanDerWaalsContact C-N 3.34Å; T107-F141 HydrophobicContact CG2-CB 4.18Å; T107-F141 HydrophobicContact CG2-CD1 3.6Å; T107-F141 HydrophobicContact CG2-CD2 4.22Å; T107-F141 HydrophobicContact CG2-CE1 3.98Å; T107-F141 HydrophobicContact CG2-CG 3.73Å; T107-F141 HydrophobicContact CG2-CZ 4.44Å; T107-F141 VanDerWaalsContact O-CZ 3.24Å; T107-F141 WeakPolarHBondContact O-CZ 3.4Å
108	R	83.8	Confident	89.8	Confident	184 Å²	184	70.5 Å²	70.5	69%	0.694	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-78.8	-15.3	176.4	-62.2	174.3	-166.5	150.3	7.5	113.8	S104 T105 A106	S104-R108 WeakPolarHBondContact O-CG 3.36Å; T105-R108 WeakPolarHBondContact O-CB 3.3Å; T105-R108 PolarHBondContact O-N 2.97Å; A106-R108 PolarHBondContact O-N 3.47Å; A106-R108 VanDerWaalsContact O-N 3.17Å
109	N	89.5	Confident	89.6	Confident	66 Å²	66	69.6 Å²	69.6	35%	0.353	37%	0.367	S	S	.	.			trans	-110.6	72.3	-179.9	-166.1	-13.4	0	0	0	111.2	A106 P111 Q112 I113	A106-N109 PolarHBondContact O-N 2.92Å; A106-N109 VanDerWaalsContact O-N 3.17Å; N109-P111 WeakPolarHBondContact OD1-CD 3.31Å; N109-Q112 HydrophobicContact CB-CB 3.99Å; N109-Q112 WeakPolarHBondContact ND2-CB 3.26Å; N109-Q112 PolarHBondContact ND2-OE1 2.98Å; N109-Q112 WeakPolarHBondContact O-CB 3.37Å; N109-Q112 PolarHBondContact O-N 3.1Å; N109-Q112 VanDerWaalsContact O-N 3.08Å; N109-Q112 WeakPolarHBondContact OD1-CB 3.24Å; N109-Q112 PolarHBondContact OD1-N 3.12Å; N109-I113 PolarHBondContact O-N 3.37Å
110	V	90.9	Very high	89.3	Confident	42 Å²	42	68 Å²	68	26%	0.255	36%	0.358	S	S	.	.	H	α-helix	trans	-51.7	-47.8	179.4	170.3	0	0	0	0	112.6	Q112 I113 L114 I136 F141	V110-Q112 VanDerWaalsContact C-N 3.28Å; V110-Q112 PolarHBondContact O-N 3.25Å; V110-I113 PolarHBondContact O-N 3.2Å; V110-L114 HydrophobicContact CG1-CD1 3.82Å; V110-L114 HydrophobicContact CG1-CG 4.17Å; V110-L114 WeakPolarHBondContact O-CG 3.41Å; V110-L114 PolarHBondContact O-N 2.95Å; V110-I136 HydrophobicContact CB-CG2 4.45Å; V110-I136 HydrophobicContact CG1-CG2 3.79Å; V110-I136 HydrophobicContact CG2-CG2 4.18Å; V110-F141 HydrophobicContact CG2-CZ 4.44Å
111	P	92	Very high	89	Confident	97 Å²	97	69 Å²	69	63%	0.63	36%	0.364	S	S	*	.	H	α-helix	trans	-56.3	-40.1	177.2	-27	35.5	0	0	0	113.7	N109 A115	N109-P111 WeakPolarHBondContact OD1-CD 3.31Å; P111-A115 WeakPolarHBondContact O-CB 3.22Å; P111-A115 PolarHBondContact O-N 3.02Å
112	Q	91.6	Very high	88.7	Confident	105 Å²	105	70 Å²	70	49%	0.491	37%	0.369	S	S	.	.	H	α-helix	trans	-68.5	-43.4	178.3	-177.2	-180	6.1	0	0	112	N109 V110 L114 A115 I116	N109-Q112 HydrophobicContact CB-CB 3.99Å; N109-Q112 WeakPolarHBondContact ND2-CB 3.26Å; N109-Q112 PolarHBondContact ND2-OE1 2.98Å; N109-Q112 WeakPolarHBondContact O-CB 3.37Å; N109-Q112 PolarHBondContact O-N 3.1Å; N109-Q112 VanDerWaalsContact O-N 3.08Å; N109-Q112 WeakPolarHBondContact OD1-CB 3.24Å; N109-Q112 PolarHBondContact OD1-N 3.12Å; V110-Q112 VanDerWaalsContact C-N 3.28Å; V110-Q112 PolarHBondContact O-N 3.25Å; Q112-L114 VanDerWaalsContact C-N 3.32Å; Q112-L114 PolarHBondContact O-N 2.99Å; Q112-A115 PolarHBondContact O-N 3.38Å; Q112-I116 HydrophobicContact CG-CD1 4.09Å; Q112-I116 WeakPolarHBondContact O-CG1 3.39Å; Q112-I116 PolarHBondContact O-N 2.77Å
113	I	91.4	Very high	88.6	Confident	8 Å²	8	74 Å²	74	4%	0.041	38%	0.379	C	S	.	.	H	α-helix	trans	-61.2	-44	176.7	-64.6	172.4	0	0	0	110.2	A106 N109 V110 A115 I116 L117 I136 F141 F144	A106-I113 WeakPolarHBondContact O-CD1 3.33Å; N109-I113 PolarHBondContact O-N 3.37Å; V110-I113 PolarHBondContact O-N 3.2Å; I113-A115 VanDerWaalsContact C-N 3.34Å; I113-A115 PolarHBondContact O-N 2.9Å; I113-I116 WeakPolarHBondContact O-CB 3.31Å; I113-I116 PolarHBondContact O-N 3.21Å; I113-L117 VanDerWaalsContact O-CB 3.26Å; I113-L117 WeakPolarHBondContact O-CB 3.46Å; I113-L117 PolarHBondContact O-N 3.35Å; I113-I136 HydrophobicContact CG2-CD1 3.56Å; I113-I136 HydrophobicContact CG2-CG1 4.34Å; I113-F141 HydrophobicContact CD1-CE1 4.16Å; I113-F144 HydrophobicContact CG2-CE1 4.02Å; I113-F144 HydrophobicContact CG2-CZ 4.01Å
114	L	92.5	Very high	88.7	Confident	43 Å²	43	69.3 Å²	69.3	23%	0.225	36%	0.361	C	S	.	.	H	α-helix	trans	-64.4	-38.2	179.2	-67.2	179.1	0	0	0	112.4	V110 Q112 L117 K118 T133 I136	V110-L114 HydrophobicContact CG1-CD1 3.82Å; V110-L114 HydrophobicContact CG1-CG 4.17Å; V110-L114 WeakPolarHBondContact O-CG 3.41Å; V110-L114 PolarHBondContact O-N 2.95Å; Q112-L114 VanDerWaalsContact C-N 3.32Å; Q112-L114 PolarHBondContact O-N 2.99Å; L114-L117 HydrophobicContact CD2-CD2 4.41Å; L114-L117 PolarHBondContact O-N 2.84Å; L114-K118 PolarHBondContact O-N 2.98Å; L114-T133 HydrophobicContact CD2-CG2 3.85Å; L114-I136 HydrophobicContact CD2-CB 4.36Å; L114-I136 HydrophobicContact CD2-CD1 3.91Å; L114-I136 HydrophobicContact CD2-CG2 4.14Å; L114-I136 HydrophobicContact CG-CG2 4.46Å
115	A	92.3	Very high	89.1	Confident	67 Å²	67	71.8 Å²	71.8	55%	0.554	38%	0.376	S	S	*	.	H	α-helix	trans	-64	-43	174.2	0	0	0	0	0	112	P111 Q112 I113 K118 S119	P111-A115 WeakPolarHBondContact O-CB 3.22Å; P111-A115 PolarHBondContact O-N 3.02Å; Q112-A115 PolarHBondContact O-N 3.38Å; I113-A115 VanDerWaalsContact C-N 3.34Å; I113-A115 PolarHBondContact O-N 2.9Å; A115-K118 PolarHBondContact O-N 2.93Å; A115-S119 PolarHBondContact O-N 2.88Å
116	I	90.4	Very high	89.4	Confident	29 Å²	29	72.2 Å²	72.2	15%	0.149	38%	0.375	C	S	.	.	H	α-helix	trans	-61.1	-48	174.1	-75.5	168.4	0	0	0	110.4	M1 F2 Q112 I113 K118 S119	M1-I116 HydrophobicContact CE-CB 4.24Å; M1-I116 HydrophobicContact CE-CG1 4.24Å; M1-I116 HydrophobicContact CE-CG2 3.65Å; M1-I116 HydrophobicContact CG-CG2 4.47Å; M1-I116 HydrophobicContact SD-CG2 3.67Å; F2-I116 HydrophobicContact CD1-CD1 4.25Å; F2-I116 HydrophobicContact CE1-CD1 3.59Å; F2-I116 HydrophobicContact CE1-CG2 4.3Å; F2-I116 HydrophobicContact CZ-CD1 4.24Å; F2-I116 HydrophobicContact CZ-CG2 3.85Å; Q112-I116 HydrophobicContact CG-CD1 4.09Å; Q112-I116 WeakPolarHBondContact O-CG1 3.39Å; Q112-I116 PolarHBondContact O-N 2.77Å; I113-I116 WeakPolarHBondContact O-CB 3.31Å; I113-I116 PolarHBondContact O-N 3.21Å; I116-K118 VanDerWaalsContact C-N 3.3Å; I116-K118 PolarHBondContact O-N 3.24Å; I116-S119 WeakPolarHBondContact O-CB 3.21Å; I116-S119 PolarHBondContact O-N 3.22Å; I116-S119 PolarHBondContact O-OG 3.32Å
117	L	91.5	Very high	90.1	Very high	4 Å²	4	78.4 Å²	78.4	2%	0.021	40%	0.397	C	S	.	.	H	α-helix	trans	-59	-40.7	-179.1	178.2	59.4	0	0	0	112	I113 L114 S119 L120 I129 W132 T133 I136	I113-L117 VanDerWaalsContact O-CB 3.26Å; I113-L117 WeakPolarHBondContact O-CB 3.46Å; I113-L117 PolarHBondContact O-N 3.35Å; L114-L117 HydrophobicContact CD2-CD2 4.41Å; L114-L117 PolarHBondContact O-N 2.84Å; L117-S119 PolarHBondContact O-N 2.81Å; L117-L120 HydrophobicContact CD1-CD1 4.44Å; L117-L120 WeakPolarHBondContact O-CB 3.38Å; L117-L120 PolarHBondContact O-N 2.96Å; L117-I129 HydrophobicContact CD1-CD1 3.35Å; L117-I129 HydrophobicContact CD1-CG2 4.38Å; L117-I129 HydrophobicContact CD2-CG2 4.4Å; L117-I129 HydrophobicContact CG-CD1 4.1Å; L117-I129 HydrophobicContact CG-CG2 4.05Å; L117-W132 HydrophobicContact CD1-CB 4.39Å; L117-W132 HydrophobicContact CD1-CE3 3.55Å; L117-W132 HydrophobicContact CD1-CZ3 4.26Å; L117-W132 HydrophobicContact CD2-CB 3.98Å; L117-T133 WeakPolarHBondContact CD2-OG1 3.42Å; L117-I136 HydrophobicContact CD2-CD1 3.88Å
118	K	89.4	Confident	90.7	Very high	154 Å²	154	78.1 Å²	78.1	67%	0.67	39%	0.394	S	S	*	.	H	α-helix	trans	-59.1	-34.4	176	-174	177.8	179.4	-179.7	0	112.9	L114 A115 I116 L120 N121	L114-K118 PolarHBondContact O-N 2.98Å; A115-K118 PolarHBondContact O-N 2.93Å; I116-K118 VanDerWaalsContact C-N 3.3Å; I116-K118 PolarHBondContact O-N 3.24Å; K118-L120 PolarHBondContact O-N 2.79Å; K118-N121 WeakPolarHBondContact O-CB 3.31Å; K118-N121 PolarHBondContact O-N 3.48Å; K118-N121 PolarHBondContact O-ND2 3.43Å
119	S	89.7	Confident	91.3	Very high	56 Å²	56	69.7 Å²	69.7	39%	0.392	36%	0.363	S	S	.	.	H	α-helix	trans	-68.8	-18.5	176.8	76.3	0	0	0	0	113.1	M1 A115 I116 L117 N121	M1-S119 VanDerWaalsContact CE-OG 3.23Å; M1-S119 WeakPolarHBondContact CE-OG 3.36Å; A115-S119 PolarHBondContact O-N 2.88Å; I116-S119 WeakPolarHBondContact O-CB 3.21Å; I116-S119 PolarHBondContact O-N 3.22Å; I116-S119 PolarHBondContact O-OG 3.32Å; L117-S119 PolarHBondContact O-N 2.81Å; S119-N121 VanDerWaalsContact C-N 3.31Å
120	L	89.6	Confident	91.6	Very high	14 Å²	14	71.6 Å²	71.6	7%	0.073	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-81.8	-6.5	177.3	-59	179.5	0	0	0	113.5	M1 L117 K118 E122 Y123 I124 I129 L148	M1-L120 HydrophobicContact SD-CD2 4.21Å; L117-L120 HydrophobicContact CD1-CD1 4.44Å; L117-L120 WeakPolarHBondContact O-CB 3.38Å; L117-L120 PolarHBondContact O-N 2.96Å; K118-L120 PolarHBondContact O-N 2.79Å; L120-E122 PolarHBondContact O-N 3.25Å; L120-E122 VanDerWaalsContact O-N 3.09Å; L120-Y123 PolarHBondContact O-N 3.44Å; L120-I124 HydrophobicContact CB-CG1 4.22Å; L120-I124 PolarHBondContact O-N 2.98Å; L120-I129 HydrophobicContact CB-CD1 4.16Å; L120-L148 HydrophobicContact CD1-CD1 4.23Å
121	N	86.7	Confident	91.8	Very high	61 Å²	61	73.8 Å²	73.8	33%	0.326	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-56.4	-24.6	177.3	-86	-22.6	0	0	0	113.5	K118 S119 Y123 N126 I129	K118-N121 WeakPolarHBondContact O-CB 3.31Å; K118-N121 PolarHBondContact O-N 3.48Å; K118-N121 PolarHBondContact O-ND2 3.43Å; S119-N121 VanDerWaalsContact C-N 3.31Å; N121-Y123 PolarHBondContact O-N 3.43Å; N121-N126 PolarHBondContact OD1-OD1 3.44Å; N121-I129 VanDerWaalsContact OD1-CG1 3.25Å; N121-I129 WeakPolarHBondContact OD1-CG1 3.41Å; N121-I129 WeakPolarHBondContact OD1-CG2 3.22Å
122	E	87.4	Confident	92	Very high	158 Å²	158	69.3 Å²	69.3	74%	0.738	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-67.7	-24.6	175.6	-63.6	-173.4	157.9	0	0	112.8	L120	L120-E122 PolarHBondContact O-N 3.25Å; L120-E122 VanDerWaalsContact O-N 3.09Å
123	Y	87.9	Confident	92.2	Very high	165 Å²	165	65.9 Å²	65.9	65%	0.647	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.1	-22.2	-173.1	-52.4	-77.8	0	0	0	113	L120 N121	L120-Y123 PolarHBondContact O-N 3.44Å; N121-Y123 PolarHBondContact O-N 3.43Å
124	I	91.5	Very high	92.5	Very high	10 Å²	10	70.1 Å²	70.1	5%	0.051	36%	0.357	C	S	.	.	S	Bend	trans	-120.7	132.6	-172.4	-56	-60.5	0	0	0	109.9	L120 N126 L128 I129 W132 H152	L120-I124 HydrophobicContact CB-CG1 4.22Å; L120-I124 PolarHBondContact O-N 2.98Å; I124-N126 PolarHBondContact O-N 2.86Å; I124-L128 HydrophobicContact CG2-CB 3.94Å; I124-L128 HydrophobicContact CG2-CD2 3.84Å; I124-L128 HydrophobicContact CG2-CG 4.11Å; I124-I129 HydrophobicContact CB-CD1 3.84Å; I124-I129 HydrophobicContact CB-CG1 4.03Å; I124-I129 HydrophobicContact CG2-CD1 3.79Å; I124-I129 HydrophobicContact CG2-CG1 3.81Å; I124-W132 HydrophobicContact CD1-CH2 4.41Å; I124-W132 HydrophobicContact CG1-CH2 4.43Å; I124-W132 HydrophobicContact CG1-CZ3 4.28Å; I124-W132 HydrophobicContact CG2-CH2 4.06Å; I124-W132 HydrophobicContact CG2-CZ3 3.99Å; I124-H152 HydrophobicContact CD1-CB 4.09Å
125	P	93.3	Very high	92.7	Very high	91 Å²	91	70.5 Å²	70.5	59%	0.591	36%	0.358	S	S	*	.			trans	-57	136.9	177.9	-25.2	34.1	0	0	0	113	K127 L128 I129	P125-K127 PolarHBondContact O-N 3.02Å; P125-L128 PolarHBondContact O-N 2.94Å; P125-I129 PolarHBondContact O-N 3.02Å
126	N	93.2	Very high	92.8	Very high	103 Å²	103	67.4 Å²	67.4	55%	0.551	33%	0.332	S	S	*	.	H	α-helix	trans	-49.7	-35.2	179.8	-72.5	-31.5	0	0	0	113.8	N121 I124 L128 I129 N130	N121-N126 PolarHBondContact OD1-OD1 3.44Å; I124-N126 PolarHBondContact O-N 2.86Å; N126-L128 VanDerWaalsContact C-N 3.32Å; N126-L128 PolarHBondContact O-N 3.42Å; N126-I129 PolarHBondContact O-N 3.01Å; N126-N130 WeakPolarHBondContact O-CB 3.5Å; N126-N130 PolarHBondContact O-N 3.3Å; N126-N130 PolarHBondContact O-ND2 3.18Å; N126-N130 PolarHBondContact O-OD1 3.4Å
127	K	94.9	Very high	93	Very high	156 Å²	156	71.4 Å²	71.4	68%	0.678	35%	0.35	S	S	*	.	H	α-helix	trans	-58	-44.4	176.6	-177.9	-179.5	177.8	-178.3	0	112	P125 N130 Q131	P125-K127 PolarHBondContact O-N 3.02Å; K127-N130 PolarHBondContact O-N 3.45Å; K127-Q131 WeakPolarHBondContact O-CG 3.47Å; K127-Q131 PolarHBondContact O-N 2.88Å; K127-Q131 VanDerWaalsContact O-N 3.1Å
128	L	95.5	Very high	93.2	Very high	28 Å²	28	80.1 Å²	80.1	15%	0.147	38%	0.382	C	S	.	.	H	α-helix	trans	-73.8	-37.5	-178.3	-172.6	58.8	0	0	0	111	I124 P125 N126 N130 Q131 W132 H151	I124-L128 HydrophobicContact CG2-CB 3.94Å; I124-L128 HydrophobicContact CG2-CD2 3.84Å; I124-L128 HydrophobicContact CG2-CG 4.11Å; P125-L128 PolarHBondContact O-N 2.94Å; N126-L128 VanDerWaalsContact C-N 3.32Å; N126-L128 PolarHBondContact O-N 3.42Å; L128-N130 VanDerWaalsContact C-N 3.33Å; L128-N130 PolarHBondContact O-N 3.08Å; L128-Q131 WeakPolarHBondContact O-CB 3.37Å; L128-Q131 PolarHBondContact O-N 3.35Å; L128-W132 HydrophobicContact CD1-CZ2 4.02Å; L128-W132 HydrophobicContact CD2-CH2 3.88Å; L128-W132 HydrophobicContact CD2-CZ2 3.45Å; L128-W132 VanDerWaalsContact CD2-CZ2 3.45Å; L128-W132 HydrophobicContact CG-CD2 4.16Å; L128-W132 HydrophobicContact CG-CH2 4.14Å; L128-W132 HydrophobicContact CG-CZ2 3.54Å; L128-W132 VanDerWaalsContact O-CG 3.32Å; L128-W132 PolarHBondContact O-N 3.49Å; L128-H151 HydrophobicContact CD2-CB 3.63Å
129	I	95.5	Very high	93.4	Very high	7 Å²	7	80 Å²	80	4%	0.036	39%	0.385	C	S	.	.	H	α-helix	trans	-60.4	-42.7	173	-64.2	-69.9	0	0	0	111.4	L117 L120 N121 I124 P125 N126 W132 T133	L117-I129 HydrophobicContact CD1-CD1 3.35Å; L117-I129 HydrophobicContact CD1-CG2 4.38Å; L117-I129 HydrophobicContact CD2-CG2 4.4Å; L117-I129 HydrophobicContact CG-CD1 4.1Å; L117-I129 HydrophobicContact CG-CG2 4.05Å; L120-I129 HydrophobicContact CB-CD1 4.16Å; N121-I129 VanDerWaalsContact OD1-CG1 3.25Å; N121-I129 WeakPolarHBondContact OD1-CG1 3.41Å; N121-I129 WeakPolarHBondContact OD1-CG2 3.22Å; I124-I129 HydrophobicContact CB-CD1 3.84Å; I124-I129 HydrophobicContact CB-CG1 4.03Å; I124-I129 HydrophobicContact CG2-CD1 3.79Å; I124-I129 HydrophobicContact CG2-CG1 3.81Å; P125-I129 PolarHBondContact O-N 3.02Å; N126-I129 PolarHBondContact O-N 3.01Å; I129-W132 HydrophobicContact CD1-CE3 4.1Å; I129-W132 HydrophobicContact CD1-CZ3 4.21Å; I129-W132 PolarHBondContact O-N 3.32Å; I129-T133 WeakPolarHBondContact O-CB 3.44Å; I129-T133 PolarHBondContact O-N 3.46Å; I129-T133 PolarHBondContact O-OG1 2.93Å
130	N	95.5	Very high	93.7	Very high	105 Å²	105	80.3 Å²	80.3	56%	0.561	38%	0.382	S	S	*	.	H	α-helix	trans	-64.1	-42.2	174.9	-68.6	-11.9	0	0	0	111.7	N126 K127 L128 W132 T133 E134	N126-N130 WeakPolarHBondContact O-CB 3.5Å; N126-N130 PolarHBondContact O-N 3.3Å; N126-N130 PolarHBondContact O-ND2 3.18Å; N126-N130 PolarHBondContact O-OD1 3.4Å; K127-N130 PolarHBondContact O-N 3.45Å; L128-N130 VanDerWaalsContact C-N 3.33Å; L128-N130 PolarHBondContact O-N 3.08Å; N130-W132 PolarHBondContact O-N 2.87Å; N130-T133 WeakPolarHBondContact O-CB 3.35Å; N130-T133 PolarHBondContact O-N 3.04Å; N130-E134 WeakPolarHBondContact O-CG 3.33Å; N130-E134 PolarHBondContact O-N 3.36Å
131	Q	96.8	Very high	94	Very high	89 Å²	89	81 Å²	81	42%	0.416	38%	0.384	S	S	.	.	H	α-helix	trans	-59.8	-45.1	175.1	-73.3	172.4	-25.6	0	0	111.8	K127 L128 T133 E134 M135	K127-Q131 WeakPolarHBondContact O-CG 3.47Å; K127-Q131 PolarHBondContact O-N 2.88Å; K127-Q131 VanDerWaalsContact O-N 3.1Å; L128-Q131 WeakPolarHBondContact O-CB 3.37Å; L128-Q131 PolarHBondContact O-N 3.35Å; Q131-T133 VanDerWaalsContact C-N 3.35Å; Q131-E134 PolarHBondContact O-N 3.26Å; Q131-M135 VanDerWaalsContact O-CG 3.3Å; Q131-M135 WeakPolarHBondContact O-CG 3.29Å; Q131-M135 PolarHBondContact O-N 3.28Å
132	W	96.4	Very high	94.5	Very high	3 Å²	3	81.9 Å²	81.9	1%	0.011	39%	0.392	C	S	.	.	H	α-helix	trans	-65.8	-37.3	177.1	-68	-10	0	0	0	112.6	L117 I124 L128 I129 N130 M135 I136 F144 G147 L148 H151 H152	L117-W132 HydrophobicContact CD1-CB 4.39Å; L117-W132 HydrophobicContact CD1-CE3 3.55Å; L117-W132 HydrophobicContact CD1-CZ3 4.26Å; L117-W132 HydrophobicContact CD2-CB 3.98Å; I124-W132 HydrophobicContact CD1-CH2 4.41Å; I124-W132 HydrophobicContact CG1-CH2 4.43Å; I124-W132 HydrophobicContact CG1-CZ3 4.28Å; I124-W132 HydrophobicContact CG2-CH2 4.06Å; I124-W132 HydrophobicContact CG2-CZ3 3.99Å; L128-W132 HydrophobicContact CD1-CZ2 4.02Å; L128-W132 HydrophobicContact CD2-CH2 3.88Å; L128-W132 HydrophobicContact CD2-CZ2 3.45Å; L128-W132 VanDerWaalsContact CD2-CZ2 3.45Å; L128-W132 HydrophobicContact CG-CD2 4.16Å; L128-W132 HydrophobicContact CG-CH2 4.14Å; L128-W132 HydrophobicContact CG-CZ2 3.54Å; L128-W132 VanDerWaalsContact O-CG 3.32Å; L128-W132 PolarHBondContact O-N 3.49Å; I129-W132 HydrophobicContact CD1-CE3 4.1Å; I129-W132 HydrophobicContact CD1-CZ3 4.21Å; I129-W132 PolarHBondContact O-N 3.32Å; N130-W132 PolarHBondContact O-N 2.87Å; W132-M135 WeakPolarHBondContact O-CB 3.34Å; W132-M135 PolarHBondContact O-N 3.23Å; W132-I136 WeakPolarHBondContact O-CD1 3.41Å; W132-I136 VanDerWaalsContact O-CG1 3.27Å; W132-I136 WeakPolarHBondContact O-CG1 3.38Å; W132-I136 PolarHBondContact O-N 3.21Å; W132-F144 HydrophobicContact CB-CD2 3.72Å; W132-F144 HydrophobicContact CB-CE2 3.96Å; W132-F144 HydrophobicContact CD2-CD2 4.37Å; W132-F144 HydrophobicContact CD2-CE2 4.32Å; W132-F144 HydrophobicContact CE3-CE2 4.31Å; W132-F144 AromaticContact CG-CD2 3.88Å; W132-F144 HydrophobicContact CG-CD2 3.88Å; W132-F144 HydrophobicContact CG-CE2 4.19Å; W132-G147 VanDerWaalsContact CZ2-C 3.49Å; W132-G147 VanDerWaalsContact CZ2-O 3.3Å; W132-G147 WeakPolarHBondContact CZ2-O 3.33Å; W132-L148 HydrophobicContact CH2-CD1 4.27Å; W132-L148 HydrophobicContact CZ3-CD1 3.98Å; W132-H151 HydrophobicContact CH2-CB 4.22Å; W132-H151 HydrophobicContact CZ2-CB 3.95Å; W132-H152 HydrophobicContact CH2-CB 4.42Å
133	T	95.5	Very high	94.9	Very high	33 Å²	33	76.5 Å²	76.5	20%	0.202	37%	0.371	C	S	.	.	H	α-helix	trans	-61.5	-45.5	174.7	-60	0	0	0	0	111.2	L114 L117 I129 N130 Q131 M135 I136 H137	L114-T133 HydrophobicContact CD2-CG2 3.85Å; L117-T133 WeakPolarHBondContact CD2-OG1 3.42Å; I129-T133 WeakPolarHBondContact O-CB 3.44Å; I129-T133 PolarHBondContact O-N 3.46Å; I129-T133 PolarHBondContact O-OG1 2.93Å; N130-T133 WeakPolarHBondContact O-CB 3.35Å; N130-T133 PolarHBondContact O-N 3.04Å; Q131-T133 VanDerWaalsContact C-N 3.35Å; T133-M135 PolarHBondContact O-N 2.86Å; T133-I136 PolarHBondContact O-N 3.04Å; T133-H137 PolarHBondContact O-CD2 2.94Å; T133-H137 PolarHBondContact O-N 3.05Å
134	E	96.7	Very high	95.3	Very high	97 Å²	97	69.1 Å²	69.1	45%	0.453	34%	0.343	S	S	.	.	H	α-helix	trans	-62.5	-40.1	174.8	-73.6	-63.2	131.9	0	0	112.8	N130 Q131 H137 R138	N130-E134 WeakPolarHBondContact O-CG 3.33Å; N130-E134 PolarHBondContact O-N 3.36Å; Q131-E134 PolarHBondContact O-N 3.26Å; E134-H137 PolarHBondContact O-N 2.65Å; E134-R138 VanDerWaalsContact O-CG 3.32Å; E134-R138 WeakPolarHBondContact O-CG 3.16Å; E134-R138 PolarHBondContact O-N 2.97Å; E134-R138 VanDerWaalsContact O-N 3.12Å; E134-R138 IonicContact OE2-NE 2.99Å; E134-R138 IonicContact OE2-NH2 3.21Å
135	M	96.6	Very high	95.6	Very high	51 Å²	51	69.2 Å²	69.2	25%	0.251	34%	0.344	S	S	.	.	H	α-helix	trans	-60.6	-45.7	175.1	-70.9	166.4	179.4	0	0	111.2	Q131 W132 T133 H137 R138 E139 D140 F144	Q131-M135 VanDerWaalsContact O-CG 3.3Å; Q131-M135 WeakPolarHBondContact O-CG 3.29Å; Q131-M135 PolarHBondContact O-N 3.28Å; W132-M135 WeakPolarHBondContact O-CB 3.34Å; W132-M135 PolarHBondContact O-N 3.23Å; T133-M135 PolarHBondContact O-N 2.86Å; M135-H137 PolarHBondContact O-N 3.46Å; M135-R138 CarbonylContact O-C 3.41Å; M135-R138 PolarHBondContact O-N 3.02Å; M135-R138 VanDerWaalsContact O-N 3.17Å; M135-E139 PolarHBondContact O-N 3.29Å; M135-D140 HydrophobicContact CB-CB 4.35Å; M135-D140 PolarHBondContact O-N 3.35Å; M135-F144 HydrophobicContact CB-CB 4.24Å
136	I	94.8	Very high	95.8	Very high	1 Å²	1	66.4 Å²	66.4	1%	0.005	33%	0.325	C	S	.	.	H	α-helix	trans	-61.4	-43.6	177.7	-68.5	159.8	0	0	0	111	V110 I113 L114 L117 W132 T133 R138 E139 F141 F144	V110-I136 HydrophobicContact CB-CG2 4.45Å; V110-I136 HydrophobicContact CG1-CG2 3.79Å; V110-I136 HydrophobicContact CG2-CG2 4.18Å; I113-I136 HydrophobicContact CG2-CD1 3.56Å; I113-I136 HydrophobicContact CG2-CG1 4.34Å; L114-I136 HydrophobicContact CD2-CB 4.36Å; L114-I136 HydrophobicContact CD2-CD1 3.91Å; L114-I136 HydrophobicContact CD2-CG2 4.14Å; L114-I136 HydrophobicContact CG-CG2 4.46Å; L117-I136 HydrophobicContact CD2-CD1 3.88Å; W132-I136 WeakPolarHBondContact O-CD1 3.41Å; W132-I136 VanDerWaalsContact O-CG1 3.27Å; W132-I136 WeakPolarHBondContact O-CG1 3.38Å; W132-I136 PolarHBondContact O-N 3.21Å; T133-I136 PolarHBondContact O-N 3.04Å; I136-R138 PolarHBondContact O-N 3.39Å; I136-E139 PolarHBondContact O-N 3.24Å; I136-F141 HydrophobicContact CG2-CE1 4.3Å; I136-F144 HydrophobicContact CD1-CD1 4.47Å; I136-F144 HydrophobicContact CD1-CD2 4.09Å; I136-F144 HydrophobicContact CD1-CE1 4.32Å; I136-F144 HydrophobicContact CD1-CE2 3.93Å; I136-F144 HydrophobicContact CD1-CG 4.35Å; I136-F144 HydrophobicContact CD1-CZ 4.04Å; I136-F144 HydrophobicContact CG1-CD1 4.18Å; I136-F144 HydrophobicContact CG1-CD2 4.19Å; I136-F144 HydrophobicContact CG1-CE1 4.46Å; I136-F144 HydrophobicContact CG1-CE2 4.48Å; I136-F144 HydrophobicContact CG1-CG 4.02Å
137	H	94.8	Very high	95.9	Very high	114 Å²	114	61.9 Å²	61.9	53%	0.528	30%	0.303	S	S	.	.	H	α-helix	trans	-64.1	-26.9	177.6	-77.1	-55.5	0	0	0	113.7	T133 E134 M135 E139	T133-H137 PolarHBondContact O-CD2 2.94Å; T133-H137 PolarHBondContact O-N 3.05Å; E134-H137 PolarHBondContact O-N 2.65Å; M135-H137 PolarHBondContact O-N 3.46Å; H137-E139 VanDerWaalsContact C-N 3.32Å
138	R	95.8	Very high	95.9	Very high	186 Å²	186	55.1 Å²	55.1	70%	0.702	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	4.9	176	-65.2	170	-169.4	-89.4	-5.8	113.1	E134 M135 I136 D140	E134-R138 VanDerWaalsContact O-CG 3.32Å; E134-R138 WeakPolarHBondContact O-CG 3.16Å; E134-R138 PolarHBondContact O-N 2.97Å; E134-R138 VanDerWaalsContact O-N 3.12Å; E134-R138 IonicContact OE2-NE 2.99Å; E134-R138 IonicContact OE2-NH2 3.21Å; M135-R138 CarbonylContact O-C 3.41Å; M135-R138 PolarHBondContact O-N 3.02Å; M135-R138 VanDerWaalsContact O-N 3.17Å; I136-R138 PolarHBondContact O-N 3.39Å; R138-D140 PolarHBondContact O-N 3.49Å; R138-D140 VanDerWaalsContact O-N 3.17Å
139	E	93.6	Very high	96	Very high	153 Å²	153	54.6 Å²	54.6	72%	0.715	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.6	21.4	-173.3	-55.7	-175.7	175.2	0	0	113.9	M135 I136 H137 F141	M135-E139 PolarHBondContact O-N 3.29Å; I136-E139 PolarHBondContact O-N 3.24Å; H137-E139 VanDerWaalsContact C-N 3.32Å; E139-F141 HydrophobicContact CB-CD2 4.39Å; E139-F141 HydrophobicContact CB-CE2 4Å; E139-F141 HydrophobicContact CG-CE2 4.36Å; E139-F141 WeakPolarHBondContact O-CD2 3.46Å; E139-F141 PolarHBondContact O-N 3.39Å
140	D	96	Very high	96	Very high	62 Å²	62	60.4 Å²	60.4	33%	0.332	29%	0.293	S	S	.	.			trans	-81.4	65.5	174.5	-174.3	5.4	0	0	0	110.6	M135 R138 T142 S143 F144	M135-D140 HydrophobicContact CB-CB 4.35Å; M135-D140 PolarHBondContact O-N 3.35Å; R138-D140 PolarHBondContact O-N 3.49Å; R138-D140 VanDerWaalsContact O-N 3.17Å; D140-T142 PolarHBondContact O-N 2.88Å; D140-S143 VanDerWaalsContact CG-CB 3.44Å; D140-S143 PolarHBondContact O-N 3.21Å; D140-S143 WeakPolarHBondContact OD1-CB 3.21Å; D140-S143 PolarHBondContact OD1-N 3.43Å; D140-S143 PolarHBondContact OD1-OG 3.28Å; D140-S143 VanDerWaalsContact OD1-OG 3.05Å; D140-S143 WeakPolarHBondContact OD2-CB 3.13Å; D140-S143 PolarHBondContact OD2-OG 3.3Å; D140-F144 PolarHBondContact O-N 3.35Å; D140-F144 VanDerWaalsContact O-N 3.14Å
141	F	95.2	Very high	95.9	Very high	28 Å²	28	59.8 Å²	59.8	12%	0.123	29%	0.286	C	S	.	.	H	α-helix	trans	-68.4	-26	-179.8	-66.1	-70.1	0	0	0	112.6	L100 T107 V110 I113 I136 E139 F144 V145	L100-F141 HydrophobicContact CD2-CB 3.65Å; T107-F141 HydrophobicContact CG2-CB 4.18Å; T107-F141 HydrophobicContact CG2-CD1 3.6Å; T107-F141 HydrophobicContact CG2-CD2 4.22Å; T107-F141 HydrophobicContact CG2-CE1 3.98Å; T107-F141 HydrophobicContact CG2-CG 3.73Å; T107-F141 HydrophobicContact CG2-CZ 4.44Å; T107-F141 VanDerWaalsContact O-CZ 3.24Å; T107-F141 WeakPolarHBondContact O-CZ 3.4Å; V110-F141 HydrophobicContact CG2-CZ 4.44Å; I113-F141 HydrophobicContact CD1-CE1 4.16Å; I136-F141 HydrophobicContact CG2-CE1 4.3Å; E139-F141 HydrophobicContact CB-CD2 4.39Å; E139-F141 HydrophobicContact CB-CE2 4Å; E139-F141 HydrophobicContact CG-CE2 4.36Å; E139-F141 WeakPolarHBondContact O-CD2 3.46Å; E139-F141 PolarHBondContact O-N 3.39Å; F141-F144 HydrophobicContact CD1-CD1 4.41Å; F141-F144 PolarHBondContact O-N 3.25Å; F141-V145 WeakPolarHBondContact O-CB 3.49Å; F141-V145 VanDerWaalsContact O-CG2 3.28Å; F141-V145 WeakPolarHBondContact O-CG2 3.48Å; F141-V145 PolarHBondContact O-N 2.91Å
142	T	96.9	Very high	95.7	Very high	80 Å²	80	56.5 Å²	56.5	49%	0.491	27%	0.271	S	S	.	.	H	α-helix	trans	-60.7	-55.3	173.9	-57.7	0	0	0	0	110.4	V96 D140 F144 V145 T146	V96-T142 HydrophobicContact CG1-CG2 4.07Å; D140-T142 PolarHBondContact O-N 2.88Å; T142-F144 VanDerWaalsContact C-N 3.31Å; T142-F144 PolarHBondContact O-N 3.01Å; T142-V145 PolarHBondContact O-N 3.49Å; T142-T146 WeakPolarHBondContact O-CB 3.43Å; T142-T146 PolarHBondContact O-N 2.97Å; T142-T146 PolarHBondContact O-OG1 3.38Å
143	S	97.5	Very high	95.5	Very high	44 Å²	44	58.8 Å²	58.8	31%	0.308	28%	0.28	S	S	.	.	H	α-helix	trans	-64	-37.4	178.2	-60.7	0	0	0	0	112.3	D140 G147	D140-S143 VanDerWaalsContact CG-CB 3.44Å; D140-S143 PolarHBondContact O-N 3.21Å; D140-S143 WeakPolarHBondContact OD1-CB 3.21Å; D140-S143 PolarHBondContact OD1-N 3.43Å; D140-S143 PolarHBondContact OD1-OG 3.28Å; D140-S143 VanDerWaalsContact OD1-OG 3.05Å; D140-S143 WeakPolarHBondContact OD2-CB 3.13Å; D140-S143 PolarHBondContact OD2-OG 3.3Å; S143-G147 PolarHBondContact O-N 2.94Å
144	F	96.1	Very high	95.4	Very high	11 Å²	11	58.9 Å²	58.9	5%	0.048	28%	0.279	C	S	.	.	H	α-helix	trans	-60.9	-52	176.4	169.6	-118.1	0	0	0	112.3	I113 W132 M135 I136 D140 F141 T142 G147 L148	I113-F144 HydrophobicContact CG2-CE1 4.02Å; I113-F144 HydrophobicContact CG2-CZ 4.01Å; W132-F144 HydrophobicContact CB-CD2 3.72Å; W132-F144 HydrophobicContact CB-CE2 3.96Å; W132-F144 HydrophobicContact CD2-CD2 4.37Å; W132-F144 HydrophobicContact CD2-CE2 4.32Å; W132-F144 HydrophobicContact CE3-CE2 4.31Å; W132-F144 AromaticContact CG-CD2 3.88Å; W132-F144 HydrophobicContact CG-CD2 3.88Å; W132-F144 HydrophobicContact CG-CE2 4.19Å; M135-F144 HydrophobicContact CB-CB 4.24Å; I136-F144 HydrophobicContact CD1-CD1 4.47Å; I136-F144 HydrophobicContact CD1-CD2 4.09Å; I136-F144 HydrophobicContact CD1-CE1 4.32Å; I136-F144 HydrophobicContact CD1-CE2 3.93Å; I136-F144 HydrophobicContact CD1-CG 4.35Å; I136-F144 HydrophobicContact CD1-CZ 4.04Å; I136-F144 HydrophobicContact CG1-CD1 4.18Å; I136-F144 HydrophobicContact CG1-CD2 4.19Å; I136-F144 HydrophobicContact CG1-CE1 4.46Å; I136-F144 HydrophobicContact CG1-CE2 4.48Å; I136-F144 HydrophobicContact CG1-CG 4.02Å; D140-F144 PolarHBondContact O-N 3.35Å; D140-F144 VanDerWaalsContact O-N 3.14Å; F141-F144 HydrophobicContact CD1-CD1 4.41Å; F141-F144 PolarHBondContact O-N 3.25Å; T142-F144 VanDerWaalsContact C-N 3.31Å; T142-F144 PolarHBondContact O-N 3.01Å; F144-G147 PolarHBondContact O-N 3.16Å; F144-L148 HydrophobicContact CE1-CD2 4.35Å; F144-L148 HydrophobicContact CZ-CD2 4.04Å; F144-L148 VanDerWaalsContact O-CB 3.32Å; F144-L148 WeakPolarHBondContact O-CB 3.35Å; F144-L148 PolarHBondContact O-N 3.07Å
145	V	96.5	Very high	95.3	Very high	12 Å²	12	57 Å²	57	7%	0.073	28%	0.275	C	S	.	.	H	α-helix	trans	-65.1	-41.7	-179.5	173.3	0	0	0	0	110.8	V96 I99 L100 F141 T142 G147 L148 L149	V96-V145 HydrophobicContact CB-CG1 4.42Å; V96-V145 HydrophobicContact CG1-CB 4.26Å; V96-V145 HydrophobicContact CG1-CG1 4.18Å; V96-V145 HydrophobicContact CG2-CG1 4.16Å; I99-V145 HydrophobicContact CB-CG1 4.2Å; I99-V145 HydrophobicContact CD1-CG1 4.08Å; I99-V145 HydrophobicContact CG2-CG1 3.9Å; I99-V145 HydrophobicContact CG2-CG2 4.43Å; L100-V145 HydrophobicContact CD2-CG2 3.78Å; L100-V145 HydrophobicContact CG-CG2 4.42Å; F141-V145 WeakPolarHBondContact O-CB 3.49Å; F141-V145 VanDerWaalsContact O-CG2 3.28Å; F141-V145 WeakPolarHBondContact O-CG2 3.48Å; F141-V145 PolarHBondContact O-N 2.91Å; T142-V145 PolarHBondContact O-N 3.49Å; V145-G147 PolarHBondContact O-N 3.33Å; V145-L148 PolarHBondContact O-N 2.9Å; V145-L149 HydrophobicContact CG1-CD1 4.45Å; V145-L149 HydrophobicContact CG1-CG 4.47Å; V145-L149 WeakPolarHBondContact O-CG 3.47Å; V145-L149 PolarHBondContact O-N 3.35Å
146	T	97.9	Very high	95	Very high	31 Å²	31	58.1 Å²	58.1	19%	0.19	28%	0.282	C	S	.	.	H	α-helix	trans	-55.7	-49.8	173.1	-62.8	0	0	0	0	111.3	E92 V96 T142 L148 L149 R150	E92-T146 WeakPolarHBondContact OE1-CG2 3.33Å; V96-T146 WeakPolarHBondContact CG2-OG1 3.38Å; T142-T146 WeakPolarHBondContact O-CB 3.43Å; T142-T146 PolarHBondContact O-N 2.97Å; T142-T146 PolarHBondContact O-OG1 3.38Å; T146-L148 VanDerWaalsContact C-N 3.33Å; T146-L148 PolarHBondContact O-N 3.18Å; T146-L149 PolarHBondContact O-N 2.83Å; T146-R150 WeakPolarHBondContact O-CB 3.25Å; T146-R150 PolarHBondContact O-N 2.96Å
147	G	96.3	Very high	94.6	Very high	9 Å²	9	61.5 Å²	61.5	9%	0.093	30%	0.295	C	S	.	.	H	α-helix	trans	-61.4	-41.6	177.4	0	0	0	0	0	112.6	W132 S143 F144 V145 R150 H151	W132-G147 VanDerWaalsContact CZ2-C 3.49Å; W132-G147 VanDerWaalsContact CZ2-O 3.3Å; W132-G147 WeakPolarHBondContact CZ2-O 3.33Å; S143-G147 PolarHBondContact O-N 2.94Å; F144-G147 PolarHBondContact O-N 3.16Å; V145-G147 PolarHBondContact O-N 3.33Å; G147-R150 PolarHBondContact O-N 2.95Å; G147-H151 WeakPolarHBondContact O-CB 3.45Å; G147-H151 PolarHBondContact O-CD2 3.3Å; G147-H151 VanDerWaalsContact O-CD2 3.31Å; G147-H151 PolarHBondContact O-N 3.4Å
148	L	95.1	Very high	94.4	Very high	13 Å²	13	61 Å²	61	7%	0.068	30%	0.296	C	S	.	.	H	α-helix	trans	-65.1	-40.2	179.5	-172.1	64.5	0	0	0	112.1	F2 L120 W132 F144 V145 T146 H152 Y153	F2-L148 HydrophobicContact CE2-CD2 4.34Å; L120-L148 HydrophobicContact CD1-CD1 4.23Å; W132-L148 HydrophobicContact CH2-CD1 4.27Å; W132-L148 HydrophobicContact CZ3-CD1 3.98Å; F144-L148 HydrophobicContact CE1-CD2 4.35Å; F144-L148 HydrophobicContact CZ-CD2 4.04Å; F144-L148 VanDerWaalsContact O-CB 3.32Å; F144-L148 WeakPolarHBondContact O-CB 3.35Å; F144-L148 PolarHBondContact O-N 3.07Å; V145-L148 PolarHBondContact O-N 2.9Å; T146-L148 VanDerWaalsContact C-N 3.33Å; T146-L148 PolarHBondContact O-N 3.18Å; L148-H152 HydrophobicContact CD1-CB 4.11Å; L148-H152 VanDerWaalsContact O-CB 3.3Å; L148-H152 WeakPolarHBondContact O-CB 3.37Å; L148-H152 PolarHBondContact O-N 2.89Å; L148-Y153 HydrophobicContact CD1-CD2 4.41Å; L148-Y153 HydrophobicContact CD1-CE2 4.13Å; L148-Y153 HydrophobicContact CD2-CD2 4.33Å; L148-Y153 HydrophobicContact CD2-CE2 3.77Å; L148-Y153 HydrophobicContact CG-CD2 3.81Å; L148-Y153 HydrophobicContact CG-CE2 3.67Å; L148-Y153 PolarHBondContact O-N 3.36Å; L148-Y153 VanDerWaalsContact O-N 3.09Å
149	L	96.2	Very high	94.1	Very high	17 Å²	17	60.2 Å²	60.2	9%	0.089	30%	0.297	C	S	.	.	I	π-helix	trans	-62.4	-55.3	172.2	-69.9	178.9	0	0	0	110.5	R95 V96 I99 V145 T146 H151 Y153 D154	R95-L149 HydrophobicContact CB-CD1 4.2Å; V96-L149 HydrophobicContact CG2-CD1 3.81Å; I99-L149 HydrophobicContact CD1-CD1 4.05Å; I99-L149 HydrophobicContact CD1-CD2 3.96Å; I99-L149 HydrophobicContact CD1-CG 4.36Å; V145-L149 HydrophobicContact CG1-CD1 4.45Å; V145-L149 HydrophobicContact CG1-CG 4.47Å; V145-L149 WeakPolarHBondContact O-CG 3.47Å; V145-L149 PolarHBondContact O-N 3.35Å; T146-L149 PolarHBondContact O-N 2.83Å; L149-H151 PolarHBondContact O-N 2.88Å; L149-Y153 PolarHBondContact O-N 2.93Å; L149-D154 VanDerWaalsContact O-CB 3.31Å; L149-D154 WeakPolarHBondContact O-CB 3.31Å; L149-D154 PolarHBondContact O-N 3.38Å
150	R	95.9	Very high	93.7	Very high	129 Å²	129	58.6 Å²	58.6	49%	0.487	29%	0.293	S	S	.	.	I	π-helix	trans	-66.2	-36.6	-170.9	-170.9	175.4	-68.2	179.3	-5.3	114.3	E92 T146 G147 P155	E92-R150 IonicContact OE1-CZ 3.1Å; E92-R150 IonicContact OE1-NE 3.51Å; E92-R150 IonicContact OE1-NH2 3.99Å; E92-R150 PolarHBondContact OE1-NH2 2.86Å; E92-R150 IonicContact OE2-CZ 2.66Å; E92-R150 IonicContact OE2-NE 3.79Å; E92-R150 PolarHBondContact OE2-NE 3.18Å; E92-R150 VanDerWaalsContact OE2-NE 3.1Å; E92-R150 IonicContact OE2-NH2 2.65Å; E92-R150 PolarHBondContact OE2-NH2 3.42Å; T146-R150 WeakPolarHBondContact O-CB 3.25Å; T146-R150 PolarHBondContact O-N 2.96Å; G147-R150 PolarHBondContact O-N 2.95Å; R150-P155 WeakPolarHBondContact O-CD 3.45Å; R150-P155 VanDerWaalsContact O-CG 3.24Å; R150-P155 WeakPolarHBondContact O-CG 3.22Å
151	H	94.1	Very high	93.3	Very high	92 Å²	92	57.4 Å²	57.4	43%	0.426	28%	0.284	S	S	.	.	I	π-helix	trans	-109.4	-6.4	-171.3	-57.7	-62.2	0	0	0	114.2	L128 W132 G147 L149	L128-H151 HydrophobicContact CD2-CB 3.63Å; W132-H151 HydrophobicContact CH2-CB 4.22Å; W132-H151 HydrophobicContact CZ2-CB 3.95Å; G147-H151 WeakPolarHBondContact O-CB 3.45Å; G147-H151 PolarHBondContact O-CD2 3.3Å; G147-H151 VanDerWaalsContact O-CD2 3.31Å; G147-H151 PolarHBondContact O-N 3.4Å; L149-H151 PolarHBondContact O-N 2.88Å
152	H	92.8	Very high	93	Very high	21 Å²	21	61 Å²	61	10%	0.097	30%	0.301	C	S	.	.	I	π-helix	trans	-129	-65	178.5	-176.5	68.8	0	0	0	112.3	I124 W132 L148 L156	I124-H152 HydrophobicContact CD1-CB 4.09Å; W132-H152 HydrophobicContact CH2-CB 4.42Å; L148-H152 HydrophobicContact CD1-CB 4.11Å; L148-H152 VanDerWaalsContact O-CB 3.3Å; L148-H152 WeakPolarHBondContact O-CB 3.37Å; L148-H152 PolarHBondContact O-N 2.89Å; H152-L156 WeakPolarHBondContact O-CB 3.37Å; H152-L156 WeakPolarHBondContact O-CD1 3.46Å; H152-L156 WeakPolarHBondContact O-CG 3.25Å; H152-L156 PolarHBondContact O-N 3.39Å
153	Y	92.2	Very high	92.8	Very high	51 Å²	51	62.9 Å²	62.9	20%	0.2	31%	0.305	C	S	.	.	I	π-helix	trans	-72.5	-50.4	-171.5	-74.8	-75	0	0	0	113.8	L148 L149 L156 Y157	L148-Y153 HydrophobicContact CD1-CD2 4.41Å; L148-Y153 HydrophobicContact CD1-CE2 4.13Å; L148-Y153 HydrophobicContact CD2-CD2 4.33Å; L148-Y153 HydrophobicContact CD2-CE2 3.77Å; L148-Y153 HydrophobicContact CG-CD2 3.81Å; L148-Y153 HydrophobicContact CG-CE2 3.67Å; L148-Y153 PolarHBondContact O-N 3.36Å; L148-Y153 VanDerWaalsContact O-N 3.09Å; L149-Y153 PolarHBondContact O-N 2.93Å; Y153-L156 PolarHBondContact O-N 3.12Å; Y153-Y157 WeakPolarHBondContact O-CD2 3.42Å; Y153-Y157 PolarHBondContact O-N 3.41Å
154	D	93.6	Very high	92.4	Very high	34 Å²	34	62.6 Å²	62.6	18%	0.182	30%	0.299	C	S	.	.	H	α-helix	trans	-61	-45.5	-177.9	-73.5	-3.1	0	0	0	111.8	R95 L149 L156 Y157 I158	R95-D154 IonicContact CZ-OD2 2.94Å; R95-D154 IonicContact NH1-OD1 3.05Å; R95-D154 PolarHBondContact NH1-OD1 2.74Å; R95-D154 IonicContact NH1-OD2 3.26Å; R95-D154 PolarHBondContact NH1-OD2 3.23Å; R95-D154 IonicContact NH2-OD2 3.49Å; R95-D154 PolarHBondContact NH2-OD2 2.8Å; L149-D154 VanDerWaalsContact O-CB 3.31Å; L149-D154 WeakPolarHBondContact O-CB 3.31Å; L149-D154 PolarHBondContact O-N 3.38Å; D154-L156 VanDerWaalsContact C-N 3.34Å; D154-L156 PolarHBondContact O-N 2.84Å; D154-Y157 PolarHBondContact O-N 3.45Å; D154-I158 WeakPolarHBondContact O-CG1 3.39Å; D154-I158 PolarHBondContact O-N 3.12Å
155	P	92.9	Very high	92.2	Very high	58 Å²	58	63.8 Å²	63.8	38%	0.377	31%	0.305	S	S	.	.	H	α-helix	trans	-59.5	-39.4	174.4	-26.6	35.7	0	0	0	113.9	R150 I158 K159	R150-P155 WeakPolarHBondContact O-CD 3.45Å; R150-P155 VanDerWaalsContact O-CG 3.24Å; R150-P155 WeakPolarHBondContact O-CG 3.22Å; P155-I158 PolarHBondContact O-N 3.21Å; P155-K159 VanDerWaalsContact O-CB 3.26Å; P155-K159 WeakPolarHBondContact O-CB 3.33Å; P155-K159 PolarHBondContact O-N 3.07Å
156	L	90.1	Very high	92.2	Very high	74 Å²	74	66.4 Å²	66.4	39%	0.387	32%	0.316	S	S	.	.	H	α-helix	trans	-66.5	-40.7	177.7	-74.1	174.3	0	0	0	111.6	H152 Y153 D154 N160	H152-L156 WeakPolarHBondContact O-CB 3.37Å; H152-L156 WeakPolarHBondContact O-CD1 3.46Å; H152-L156 WeakPolarHBondContact O-CG 3.25Å; H152-L156 PolarHBondContact O-N 3.39Å; Y153-L156 PolarHBondContact O-N 3.12Å; D154-L156 VanDerWaalsContact C-N 3.34Å; D154-L156 PolarHBondContact O-N 2.84Å; L156-N160 WeakPolarHBondContact O-CB 3.37Å; L156-N160 PolarHBondContact O-N 3.06Å; L156-N160 VanDerWaalsContact O-N 3.12Å; L156-N160 PolarHBondContact O-ND2 2.79Å
157	Y	88.3	Confident	92.1	Very high	72 Å²	72	67.4 Å²	67.4	28%	0.282	32%	0.321	S	S	.	.	H	α-helix	trans	-63.7	-45.7	175.4	-71.7	-44.9	0	0	0	111.9	Y153 D154 R161	Y153-Y157 WeakPolarHBondContact O-CD2 3.42Å; Y153-Y157 PolarHBondContact O-N 3.41Å; D154-Y157 PolarHBondContact O-N 3.45Å; Y157-R161 VanDerWaalsContact CE1-CZ 3.42Å; Y157-R161 WeakPolarHBondContact O-CB 3.46Å; Y157-R161 WeakPolarHBondContact O-CG 3.23Å; Y157-R161 PolarHBondContact O-N 2.97Å
158	I	89.4	Confident	92	Very high	105 Å²	105	67 Å²	67	54%	0.538	32%	0.316	S	S	.	.	H	α-helix	trans	-61	-53.2	177	-66.7	164.8	0	0	0	110	D154 P155 N160 R161 H162	D154-I158 WeakPolarHBondContact O-CG1 3.39Å; D154-I158 PolarHBondContact O-N 3.12Å; P155-I158 PolarHBondContact O-N 3.21Å; I158-N160 VanDerWaalsContact C-N 3.29Å; I158-N160 PolarHBondContact O-N 2.98Å; I158-R161 PolarHBondContact O-N 3.34Å; I158-H162 WeakPolarHBondContact O-CB 3.31Å; I158-H162 PolarHBondContact O-N 2.96Å
159	K	88.7	Confident	92	Very high	168 Å²	168	72.1 Å²	72.1	73%	0.73	34%	0.338	S	S	*	.	H	α-helix	trans	-54.8	-44	-177.1	-178.1	-179.5	178.2	-178.2	0	112.8	P155	P155-K159 VanDerWaalsContact O-CB 3.26Å; P155-K159 WeakPolarHBondContact O-CB 3.33Å; P155-K159 PolarHBondContact O-N 3.07Å
160	N	86.1	Confident	92	Very high	120 Å²	120	77 Å²	77	64%	0.642	36%	0.364	S	S	*	.	H	α-helix	trans	-87.2	-18.9	-173.2	-66.7	-27.2	0	0	0	113.6	L156 I158	L156-N160 WeakPolarHBondContact O-CB 3.37Å; L156-N160 PolarHBondContact O-N 3.06Å; L156-N160 VanDerWaalsContact O-N 3.12Å; L156-N160 PolarHBondContact O-ND2 2.79Å; I158-N160 VanDerWaalsContact C-N 3.29Å; I158-N160 PolarHBondContact O-N 2.98Å
161	R	87.5	Confident	92.1	Very high	37 Å²	37	74 Å²	74	14%	0.14	36%	0.357	C	S	.	.	H	α-helix	trans	-118.7	-12.9	-171.6	-56.6	179.8	179.2	154.2	3.4	114.3	C55 E56 Y157 I158 Q163 M164 M165	C55-R161 PolarHBondContact O-NE 2.88Å; C55-R161 PolarHBondContact O-NH2 3.24Å; E56-R161 IonicContact OE1-NH2 2.81Å; E56-R161 IonicContact OE2-NH2 3.13Å; E56-R161 PolarHBondContact OE2-NH2 2.71Å; Y157-R161 VanDerWaalsContact CE1-CZ 3.42Å; Y157-R161 WeakPolarHBondContact O-CB 3.46Å; Y157-R161 WeakPolarHBondContact O-CG 3.23Å; Y157-R161 PolarHBondContact O-N 2.97Å; I158-R161 PolarHBondContact O-N 3.34Å; R161-Q163 PolarHBondContact O-N 3.2Å; R161-M164 HydrophobicContact CB-CE 4.33Å; R161-M164 HydrophobicContact CG-CE 4.49Å; R161-M164 PolarHBondContact O-N 3.08Å; R161-M165 HydrophobicContact CB-CG 4.19Å; R161-M165 HydrophobicContact CB-SD 3.84Å; R161-M165 WeakPolarHBondContact O-CB 3.32Å; R161-M165 VanDerWaalsContact O-CG 3.29Å; R161-M165 WeakPolarHBondContact O-CG 3.34Å; R161-M165 PolarHBondContact O-N 3.12Å
162	H	89.6	Confident	92	Very high	104 Å²	104	71.8 Å²	71.8	48%	0.481	36%	0.36	S	S	.	.	H	α-helix	trans	-50.9	-56.9	-173.9	-179.3	-93.7	0	0	0	113.2	I158 M164 M165 E166	I158-H162 WeakPolarHBondContact O-CB 3.31Å; I158-H162 PolarHBondContact O-N 2.96Å; H162-M164 PolarHBondContact O-N 3.22Å; H162-M165 PolarHBondContact O-N 2.98Å; H162-E166 PolarHBondContact O-N 2.79Å
163	Q	91.1	Very high	92.1	Very high	119 Å²	119	71 Å²	71	56%	0.556	36%	0.356	S	S	*	.	H	α-helix	trans	-61.6	-44.7	-178.1	-171.1	61	49	0	0	112.1	R161 M165 E166 D167	R161-Q163 PolarHBondContact O-N 3.2Å; Q163-M165 VanDerWaalsContact C-N 3.29Å; Q163-M165 PolarHBondContact O-N 2.74Å; Q163-E166 PolarHBondContact O-N 2.85Å; Q163-D167 PolarHBondContact NE2-OD1 3.34Å; Q163-D167 WeakPolarHBondContact O-CB 2.97Å; Q163-D167 PolarHBondContact O-N 3.02Å
164	M	91	Very high	92.2	Very high	37 Å²	37	70.8 Å²	70.8	18%	0.182	36%	0.357	C	S	.	.	H	α-helix	trans	-61.7	-37.7	178.1	-176.7	-162	69	0	0	111.8	T77 R161 H162 A168	T77-M164 HydrophobicContact CG2-CG 4.27Å; R161-M164 HydrophobicContact CB-CE 4.33Å; R161-M164 HydrophobicContact CG-CE 4.49Å; R161-M164 PolarHBondContact O-N 3.08Å; H162-M164 PolarHBondContact O-N 3.22Å; M164-A168 WeakPolarHBondContact O-CB 3.45Å; M164-A168 PolarHBondContact O-N 3.25Å
165	M	91.9	Very high	92.2	Very high	37 Å²	37	71.4 Å²	71.4	18%	0.182	36%	0.359	C	S	.	.	H	α-helix	trans	-69.8	-42.5	177.8	-71.5	173.3	74.1	0	0	111.7	W87 R161 H162 Q163 A168 K169 F174	W87-M165 HydrophobicContact CD2-CE 3.93Å; W87-M165 HydrophobicContact CE3-CE 3.49Å; W87-M165 VanDerWaalsContact CE3-CE 3.49Å; W87-M165 HydrophobicContact CE3-SD 4.45Å; W87-M165 HydrophobicContact CH2-CE 4.37Å; W87-M165 HydrophobicContact CZ3-CE 3.73Å; W87-M165 HydrophobicContact CZ3-SD 4.25Å; R161-M165 HydrophobicContact CB-CG 4.19Å; R161-M165 HydrophobicContact CB-SD 3.84Å; R161-M165 WeakPolarHBondContact O-CB 3.32Å; R161-M165 VanDerWaalsContact O-CG 3.29Å; R161-M165 WeakPolarHBondContact O-CG 3.34Å; R161-M165 PolarHBondContact O-N 3.12Å; H162-M165 PolarHBondContact O-N 2.98Å; Q163-M165 VanDerWaalsContact C-N 3.29Å; Q163-M165 PolarHBondContact O-N 2.74Å; M165-A168 PolarHBondContact O-N 3.16Å; M165-K169 VanDerWaalsContact O-CB 3.31Å; M165-K169 WeakPolarHBondContact O-CB 3.41Å; M165-K169 PolarHBondContact O-N 3.24Å; M165-F174 HydrophobicContact CE-CE2 3.53Å; M165-F174 HydrophobicContact CE-CZ 3.9Å; M165-F174 HydrophobicContact CG-CE2 4.45Å
166	E	94.6	Very high	92.2	Very high	67 Å²	67	76.6 Å²	76.6	31%	0.313	37%	0.37	S	S	.	.	H	α-helix	trans	-64.7	-43.6	175.3	-71.1	-55.9	120.8	0	0	111.6	H162 Q163 A168 K169 N170	H162-E166 PolarHBondContact O-N 2.79Å; Q163-E166 PolarHBondContact O-N 2.85Å; E166-A168 PolarHBondContact O-N 3.45Å; E166-K169 WeakPolarHBondContact O-CB 3.45Å; E166-K169 PolarHBondContact O-N 2.87Å; E166-K169 IonicContact OE2-NZ 3.87Å; E166-N170 WeakPolarHBondContact O-CB 3.41Å; E166-N170 PolarHBondContact O-N 3.46Å; E166-N170 PolarHBondContact O-ND2 2.76Å
167	D	95.9	Very high	92.3	Very high	52 Å²	52	73.5 Å²	73.5	28%	0.278	35%	0.354	S	S	.	.	H	α-helix	trans	-62.8	-42.3	175.3	-67	-15.4	0	0	0	111.4	T77 Q163 K169 N170 N171	T77-D167 HydrophobicContact CG2-CB 3.83Å; Q163-D167 PolarHBondContact NE2-OD1 3.34Å; Q163-D167 WeakPolarHBondContact O-CB 2.97Å; Q163-D167 PolarHBondContact O-N 3.02Å; D167-K169 VanDerWaalsContact C-N 3.33Å; D167-K169 PolarHBondContact O-N 3.08Å; D167-N170 PolarHBondContact O-N 3.26Å; D167-N171 WeakPolarHBondContact O-CB 3.48Å; D167-N171 PolarHBondContact O-N 3.12Å; D167-N171 VanDerWaalsContact O-N 3.08Å; D167-N171 PolarHBondContact O-ND2 3.36Å
168	A	95.3	Very high	92.5	Very high	0 Å²	0	73.5 Å²	73.5	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-62.8	-41	175.6	0	0	0	0	0	111.4	T77 M164 M165 E166 N171 G172 L173 F174	T77-A168 HydrophobicContact CG2-CB 4.13Å; M164-A168 WeakPolarHBondContact O-CB 3.45Å; M164-A168 PolarHBondContact O-N 3.25Å; M165-A168 PolarHBondContact O-N 3.16Å; E166-A168 PolarHBondContact O-N 3.45Å; A168-N171 CarbonylContact O-C 3.56Å; A168-N171 PolarHBondContact O-N 3.03Å; A168-G172 PolarHBondContact O-N 3.48Å; A168-G172 VanDerWaalsContact O-N 3.17Å; A168-L173 HydrophobicContact CB-CB 4.11Å; A168-L173 WeakPolarHBondContact O-CA 3.31Å; A168-L173 WeakPolarHBondContact O-CB 3.5Å; A168-L173 PolarHBondContact O-N 2.78Å; A168-F174 HydrophobicContact CB-CB 4.16Å; A168-F174 PolarHBondContact O-N 3.17Å
169	K	95.6	Very high	92.5	Very high	120 Å²	120	68.8 Å²	68.8	52%	0.522	34%	0.341	S	S	.	.	H	α-helix	trans	-64.3	-46.6	177.2	-179.5	-175.7	172.1	-166	0	111.9	M165 E166 D167 N171 G172 F174	M165-K169 VanDerWaalsContact O-CB 3.31Å; M165-K169 WeakPolarHBondContact O-CB 3.41Å; M165-K169 PolarHBondContact O-N 3.24Å; E166-K169 WeakPolarHBondContact O-CB 3.45Å; E166-K169 PolarHBondContact O-N 2.87Å; E166-K169 IonicContact OE2-NZ 3.87Å; D167-K169 VanDerWaalsContact C-N 3.33Å; D167-K169 PolarHBondContact O-N 3.08Å; K169-N171 PolarHBondContact O-N 2.64Å; K169-G172 PolarHBondContact O-N 3.22Å; K169-G172 VanDerWaalsContact O-N 3.14Å; K169-F174 HydrophobicContact CB-CB 3.94Å; K169-F174 HydrophobicContact CB-CG 4.39Å
170	N	96.5	Very high	92.5	Very high	119 Å²	119	64.7 Å²	64.7	64%	0.636	33%	0.331	S	S	*	.	H	α-helix	trans	-61.8	-29	177.5	-69.2	-24.6	0	0	0	112.4	E166 D167	E166-N170 WeakPolarHBondContact O-CB 3.41Å; E166-N170 PolarHBondContact O-N 3.46Å; E166-N170 PolarHBondContact O-ND2 2.76Å; D167-N170 PolarHBondContact O-N 3.26Å
171	N	96.1	Very high	92.6	Very high	66 Å²	66	63.4 Å²	63.4	35%	0.353	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	11.1	178.7	-67.2	-54.4	0	0	0	114.3	T77 D167 A168 K169 L173	T77-N171 WeakPolarHBondContact O-CB 3.22Å; T77-N171 VanDerWaalsContact O-CG 3.25Å; T77-N171 PolarHBondContact O-ND2 3.31Å; D167-N171 WeakPolarHBondContact O-CB 3.48Å; D167-N171 PolarHBondContact O-N 3.12Å; D167-N171 VanDerWaalsContact O-N 3.08Å; D167-N171 PolarHBondContact O-ND2 3.36Å; A168-N171 CarbonylContact O-C 3.56Å; A168-N171 PolarHBondContact O-N 3.03Å; K169-N171 PolarHBondContact O-N 2.64Å; N171-L173 HydrophobicContact CB-CD1 4.3Å; N171-L173 HydrophobicContact CB-CG 4.32Å; N171-L173 PolarHBondContact O-N 2.76Å
172	G	93.5	Very high	92.6	Very high	47 Å²	47	62.8 Å²	62.8	49%	0.485	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.5	18.6	177.7	0	0	0	0	0	114.9	A168 K169	A168-G172 PolarHBondContact O-N 3.48Å; A168-G172 VanDerWaalsContact O-N 3.17Å; K169-G172 PolarHBondContact O-N 3.22Å; K169-G172 VanDerWaalsContact O-N 3.14Å
173	L	94.4	Very high	92.6	Very high	3 Å²	3	61.5 Å²	61.5	2%	0.016	32%	0.321	C	S	.	.			trans	-99.5	-1.1	-179.2	-58.7	175.9	0	0	0	113.1	T77 H84 R85 A168 N171	T77-L173 VanDerWaalsContact C-CD1 3.47Å; T77-L173 VanDerWaalsContact O-CD1 3.3Å; T77-L173 WeakPolarHBondContact O-CD1 3.37Å; H84-L173 CarbonylContact C-O 3.54Å; H84-L173 WeakPolarHBondContact CA-O 3.03Å; H84-L173 WeakPolarHBondContact CE1-CD2 3.46Å; H84-L173 WeakPolarHBondContact NE2-CD2 3.3Å; R85-L173 PolarHBondContact N-O 3.3Å; A168-L173 HydrophobicContact CB-CB 4.11Å; A168-L173 WeakPolarHBondContact O-CA 3.31Å; A168-L173 WeakPolarHBondContact O-CB 3.5Å; A168-L173 PolarHBondContact O-N 2.78Å; N171-L173 HydrophobicContact CB-CD1 4.3Å; N171-L173 HydrophobicContact CB-CG 4.32Å; N171-L173 PolarHBondContact O-N 2.76Å
174	F	95	Very high	92.6	Very high	48 Å²	48	63 Å²	63	21%	0.211	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	126.7	-179.1	-177.5	-93.6	0	0	0	111.7	W87 M165 A168 K169 R176	W87-F174 HydrophobicContact CB-CE1 4.34Å; W87-F174 HydrophobicContact CB-CE2 3.64Å; W87-F174 HydrophobicContact CB-CZ 3.39Å; W87-F174 HydrophobicContact CG-CE2 4.3Å; W87-F174 AromaticContact CG-CZ 3.86Å; W87-F174 HydrophobicContact CG-CZ 3.86Å; M165-F174 HydrophobicContact CE-CE2 3.53Å; M165-F174 HydrophobicContact CE-CZ 3.9Å; M165-F174 HydrophobicContact CG-CE2 4.45Å; A168-F174 HydrophobicContact CB-CB 4.16Å; A168-F174 PolarHBondContact O-N 3.17Å; K169-F174 HydrophobicContact CB-CB 3.94Å; K169-F174 HydrophobicContact CB-CG 4.39Å; F174-R176 HydrophobicContact CE1-CB 4.06Å
175	H	93.3	Very high	92.6	Very high	47 Å²	47	65.4 Å²	65.4	22%	0.218	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	125.6	-176.6	-57	-74.4	0	0	0	109.9	H84 R85 I86 W87 L198	H84-H175 AromaticContact ND1-CD2 3.9Å; H84-H175 AromaticContact ND1-NE2 3.11Å; H84-H175 PolarHBondContact ND1-NE2 3.09Å; H84-H175 VanDerWaalsContact ND1-NE2 3.11Å; R85-H175 PolarHBondContact O-N 2.84Å; I86-H175 CarbonylContact C-O 3.53Å; I86-H175 WeakPolarHBondContact CA-O 3.25Å; I86-H175 HydrophobicContact CG1-CB 4.44Å; W87-H175 PolarHBondContact N-O 3.22Å; H175-L198 HydrophobicContact CB-CD2 3.65Å; H175-L198 WeakPolarHBondContact CD2-CD2 3.49Å; H175-L198 WeakPolarHBondContact CE1-CD1 3.29Å; H175-L198 WeakPolarHBondContact NE2-CD1 3.31Å
176	R	93	Very high	92.5	Very high	166 Å²	166	65.3 Å²	65.3	63%	0.626	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.8	128.2	-179.6	178.6	174.6	57	178.1	-3.1	110.3	W87 D89 F174	W87-R176 WeakPolarHBondContact O-CA 3.34Å; D89-R176 HydrophobicContact CB-CG 3.9Å; F174-R176 HydrophobicContact CE1-CB 4.06Å
177	I	92.2	Very high	92.3	Very high	9 Å²	9	64.6 Å²	64.6	5%	0.046	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	105.9	172.6	-59	176.7	0	0	0	107.3	I86 W87 I88 D89 L179 Q194 I195	I86-I177 HydrophobicContact CG2-CD1 3.74Å; I86-I177 HydrophobicContact CG2-CG1 4.14Å; W87-I177 PolarHBondContact O-N 3.29Å; I88-I177 HydrophobicContact CD1-CB 4.15Å; I88-I177 HydrophobicContact CD1-CD1 4.15Å; D89-I177 PolarHBondContact N-O 3.27Å; I177-L179 HydrophobicContact CG2-CD2 4.13Å; I177-L179 HydrophobicContact CG2-CG 4.16Å; I177-Q194 HydrophobicContact CD1-CB 3.97Å; I177-I195 HydrophobicContact CD1-CG2 3.65Å
178	S	92	Very high	92.1	Very high	72 Å²	72	67.3 Å²	67.3	50%	0.503	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	130.7	178.1	-58.3	0	0	0	0	111.1	D89	D89-S178 CarbonylContact O-C 3.54Å; D89-S178 VanDerWaalsContact O-CA 3.31Å; D89-S178 WeakPolarHBondContact O-CA 3.4Å; D89-S178 PolarHBondContact OD2-OG 2.87Å
179	L	89.5	Confident	91.9	Very high	7 Å²	7	71.2 Å²	71.2	4%	0.037	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	138.4	-179.2	-58.4	170.7	0	0	0	109.9	I88 D89 I90 I177 N181 M186 R190 I191	I88-L179 HydrophobicContact CG2-CD1 4.06Å; D89-L179 PolarHBondContact O-N 3.45Å; I90-L179 HydrophobicContact CG1-CB 4.13Å; I177-L179 HydrophobicContact CG2-CD2 4.13Å; I177-L179 HydrophobicContact CG2-CG 4.16Å; L179-N181 VanDerWaalsContact C-N 3.32Å; L179-N181 WeakPolarHBondContact CB-O 3.42Å; L179-M186 HydrophobicContact CB-SD 3.84Å; L179-M186 HydrophobicContact CD1-CG 4.21Å; L179-M186 HydrophobicContact CD1-SD 4.15Å; L179-M186 HydrophobicContact CD2-CG 4.05Å; L179-M186 HydrophobicContact CD2-SD 3.78Å; L179-M186 HydrophobicContact CG-SD 4.13Å; L179-R190 HydrophobicContact CD2-CB 4.18Å; L179-I191 HydrophobicContact CD1-CD1 3.49Å; L179-I191 VanDerWaalsContact CD1-CD1 3.49Å; L179-I191 HydrophobicContact CD1-CG1 3.58Å
180	P	87.9	Confident	91.6	Very high	81 Å²	81	71.1 Å²	71.1	53%	0.526	37%	0.371	S	S	.	.	S	Bend	trans	-71	-30.5	178.8	28.6	-34.2	0	0	0	112.5	T91 M186	T91-P180 PolarHBondContact OG1-O 2.66Å; P180-M186 HydrophobicContact CG-CE 4.28Å
181	N	88.9	Confident	91.4	Very high	94 Å²	94	66.3 Å²	66.3	50%	0.503	35%	0.346	S	S	.	.			trans	-144.5	175.7	179	-70.6	-46.6	0	0	0	109	A94 L179	A94-N181 HydrophobicContact CB-CB 4.47Å; A94-N181 WeakPolarHBondContact CB-OD1 3.49Å; L179-N181 VanDerWaalsContact C-N 3.32Å; L179-N181 WeakPolarHBondContact CB-O 3.42Å
182	V	88	Confident	91.2	Very high	23 Å²	23	66.5 Å²	66.5	14%	0.139	35%	0.346	C	S	.	.			trans	-137	127.5	168.5	61.3	0	0	0	0	109.5	I90 W98 I187	I90-V182 HydrophobicContact CD1-CB 3.67Å; I90-V182 HydrophobicContact CD1-CG1 3.77Å; I90-V182 HydrophobicContact CD1-CG2 4.22Å; I90-V182 HydrophobicContact CG1-CB 4.47Å; W98-V182 HydrophobicContact CB-CG1 3.88Å; W98-V182 HydrophobicContact CD2-CG1 3.76Å; W98-V182 HydrophobicContact CE3-CB 4.45Å; W98-V182 HydrophobicContact CE3-CG1 3.72Å; W98-V182 HydrophobicContact CE3-CG2 4.31Å; W98-V182 VanDerWaalsContact CE3-O 3.3Å; W98-V182 HydrophobicContact CG-CG1 3.87Å; W98-V182 HydrophobicContact CZ3-CG2 4.31Å; V182-I187 HydrophobicContact CG2-CD1 4.08Å; V182-I187 HydrophobicContact CG2-CG1 3.92Å
183	D	90.1	Very high	91	Very high	78 Å²	78	67.2 Å²	67.2	42%	0.417	34%	0.342	S	S	.	.			trans	-141.2	173.3	168.9	66	33.7	0	0	0	108.8	T185 M186 I187	D183-T185 PolarHBondContact O-N 3.48Å; D183-T185 VanDerWaalsContact OD1-CA 3.31Å; D183-T185 WeakPolarHBondContact OD1-CA 3.41Å; D183-T185 VanDerWaalsContact OD1-CB 3.23Å; D183-T185 WeakPolarHBondContact OD1-CB 3.31Å; D183-T185 PolarHBondContact OD1-N 2.92Å; D183-M186 PolarHBondContact O-N 3.11Å; D183-M186 PolarHBondContact OD1-N 2.88Å; D183-I187 WeakPolarHBondContact O-CG1 3.18Å; D183-I187 PolarHBondContact O-N 3.1Å
184	K	89.1	Confident	90.8	Very high	151 Å²	151	70.7 Å²	70.7	66%	0.657	36%	0.358	S	S	*	.	H	α-helix	trans	-56.9	-36.5	178.8	-172.4	176.1	-179.8	178.6	0	112.5	Q188	K184-Q188 WeakPolarHBondContact O-CG 3.08Å; K184-Q188 PolarHBondContact O-N 3.04Å; K184-Q188 VanDerWaalsContact O-N 3.12Å
185	T	91.5	Very high	90.5	Very high	87 Å²	87	69.7 Å²	69.7	53%	0.534	36%	0.355	S	S	.	.	H	α-helix	trans	-68.3	-44.1	179.6	-55.9	0	0	0	0	110.9	D183 Q188 T189	D183-T185 PolarHBondContact O-N 3.48Å; D183-T185 VanDerWaalsContact OD1-CA 3.31Å; D183-T185 WeakPolarHBondContact OD1-CA 3.41Å; D183-T185 VanDerWaalsContact OD1-CB 3.23Å; D183-T185 WeakPolarHBondContact OD1-CB 3.31Å; D183-T185 PolarHBondContact OD1-N 2.92Å; T185-Q188 PolarHBondContact O-N 3.24Å; T185-T189 HydrophobicContact CG2-CG2 4.18Å; T185-T189 WeakPolarHBondContact O-CB 3.36Å; T185-T189 WeakPolarHBondContact O-CG2 3.37Å; T185-T189 PolarHBondContact O-N 3.42Å; T185-T189 PolarHBondContact O-OG1 3.03Å
186	M	89.9	Confident	90.3	Very high	35 Å²	35	70.2 Å²	70.2	17%	0.172	36%	0.359	C	S	.	.	H	α-helix	trans	-68	-36.5	178.5	-171.8	163.7	-82	0	0	111.4	L179 P180 D183 Q188 R190 I191	L179-M186 HydrophobicContact CB-SD 3.84Å; L179-M186 HydrophobicContact CD1-CG 4.21Å; L179-M186 HydrophobicContact CD1-SD 4.15Å; L179-M186 HydrophobicContact CD2-CG 4.05Å; L179-M186 HydrophobicContact CD2-SD 3.78Å; L179-M186 HydrophobicContact CG-SD 4.13Å; P180-M186 HydrophobicContact CG-CE 4.28Å; D183-M186 PolarHBondContact O-N 3.11Å; D183-M186 PolarHBondContact OD1-N 2.88Å; M186-Q188 PolarHBondContact O-N 3.19Å; M186-R190 HydrophobicContact CG-CB 4.09Å; M186-R190 HydrophobicContact CG-CG 4.04Å; M186-R190 WeakPolarHBondContact O-CA 3.48Å; M186-R190 VanDerWaalsContact O-CB 3.28Å; M186-R190 WeakPolarHBondContact O-CB 3.44Å; M186-R190 PolarHBondContact O-N 2.91Å; M186-I191 PolarHBondContact O-N 2.85Å
187	I	90.7	Very high	90.1	Very high	51 Å²	51	67.5 Å²	67.5	26%	0.262	36%	0.357	S	S	.	.	I	π-helix	trans	-57.1	-51	170.7	-67.4	163.9	0	0	0	110	W98 V182 D183 I191 I192	W98-I187 HydrophobicContact CH2-CD1 3.72Å; W98-I187 HydrophobicContact CZ2-CD1 4.35Å; W98-I187 HydrophobicContact CZ3-CD1 4.39Å; V182-I187 HydrophobicContact CG2-CD1 4.08Å; V182-I187 HydrophobicContact CG2-CG1 3.92Å; D183-I187 WeakPolarHBondContact O-CG1 3.18Å; D183-I187 PolarHBondContact O-N 3.1Å; I187-I191 HydrophobicContact CB-CD1 4.42Å; I187-I191 HydrophobicContact CG1-CD1 3.9Å; I187-I191 WeakPolarHBondContact O-CB 3.47Å; I187-I191 PolarHBondContact O-N 3.49Å; I187-I192 HydrophobicContact CG2-CD1 4.23Å; I187-I192 HydrophobicContact CG2-CG1 4.27Å; I187-I192 WeakPolarHBondContact O-CG1 3.43Å; I187-I192 PolarHBondContact O-N 2.69Å
188	Q	92.3	Very high	89.7	Confident	109 Å²	109	68.6 Å²	68.6	51%	0.509	36%	0.363	S	S	.	.	I	π-helix	trans	-69.5	-39.4	-176.6	-71.9	177.3	-15.2	0	0	113.9	K184 T185 M186 P193	K184-Q188 WeakPolarHBondContact O-CG 3.08Å; K184-Q188 PolarHBondContact O-N 3.04Å; K184-Q188 VanDerWaalsContact O-N 3.12Å; T185-Q188 PolarHBondContact O-N 3.24Å; M186-Q188 PolarHBondContact O-N 3.19Å; Q188-P193 VanDerWaalsContact O-CD 3.29Å; Q188-P193 WeakPolarHBondContact O-CD 3.22Å
189	T	91.2	Very high	89.4	Confident	83 Å²	83	65.7 Å²	65.7	51%	0.509	34%	0.343	S	S	.	.	I	π-helix	trans	-94.7	-21.5	-170.9	58.6	0	0	0	0	113.7	T185	T185-T189 HydrophobicContact CG2-CG2 4.18Å; T185-T189 WeakPolarHBondContact O-CB 3.36Å; T185-T189 WeakPolarHBondContact O-CG2 3.37Å; T185-T189 PolarHBondContact O-N 3.42Å; T185-T189 PolarHBondContact O-OG1 3.03Å
190	R	89.7	Confident	89.1	Confident	117 Å²	117	69.9 Å²	69.9	44%	0.442	36%	0.359	S	S	.	.	I	π-helix	trans	-120.6	-49	-176.1	-58.3	-64.3	-61.2	-75.2	-4.9	112.8	L179 M186 Q194	L179-R190 HydrophobicContact CD2-CB 4.18Å; M186-R190 HydrophobicContact CG-CB 4.09Å; M186-R190 HydrophobicContact CG-CG 4.04Å; M186-R190 WeakPolarHBondContact O-CA 3.48Å; M186-R190 VanDerWaalsContact O-CB 3.28Å; M186-R190 WeakPolarHBondContact O-CB 3.44Å; M186-R190 PolarHBondContact O-N 2.91Å; R190-Q194 WeakPolarHBondContact O-CB 3.26Å; R190-Q194 VanDerWaalsContact O-CG 3.28Å; R190-Q194 WeakPolarHBondContact O-CG 3.29Å; R190-Q194 PolarHBondContact O-NE2 2.9Å
191	I	90.8	Very high	88.8	Confident	18 Å²	18	70 Å²	70	9%	0.092	36%	0.359	C	S	.	.	I	π-helix	trans	-74.1	-59.5	-174.6	-57.6	178.9	0	0	0	110.2	I88 L179 M186 I187 Q194 I195	I88-I191 HydrophobicContact CD1-CD1 4.37Å; I88-I191 HydrophobicContact CD1-CG2 3.88Å; I88-I191 HydrophobicContact CG2-CD1 4.21Å; L179-I191 HydrophobicContact CD1-CD1 3.49Å; L179-I191 VanDerWaalsContact CD1-CD1 3.49Å; L179-I191 HydrophobicContact CD1-CG1 3.58Å; M186-I191 PolarHBondContact O-N 2.85Å; I187-I191 HydrophobicContact CB-CD1 4.42Å; I187-I191 HydrophobicContact CG1-CD1 3.9Å; I187-I191 WeakPolarHBondContact O-CB 3.47Å; I187-I191 PolarHBondContact O-N 3.49Å; I191-Q194 PolarHBondContact O-N 3.25Å; I191-Q194 VanDerWaalsContact O-N 3.1Å; I191-I195 HydrophobicContact CG2-CG2 3.89Å; I191-I195 WeakPolarHBondContact O-CG2 3.36Å; I191-I195 PolarHBondContact O-N 2.98Å
192	I	91.5	Very high	88.2	Confident	70 Å²	70	67.3 Å²	67.3	36%	0.359	35%	0.346	S	S	.	.	H	α-helix	trans	-53.3	-48.1	-175.4	-69.3	177	0	0	0	112.1	I187 Q194 I195 L196	I187-I192 HydrophobicContact CG2-CD1 4.23Å; I187-I192 HydrophobicContact CG2-CG1 4.27Å; I187-I192 WeakPolarHBondContact O-CG1 3.43Å; I187-I192 PolarHBondContact O-N 2.69Å; I192-Q194 PolarHBondContact O-N 2.91Å; I192-I195 VanDerWaalsContact O-CG1 3.26Å; I192-I195 WeakPolarHBondContact O-CG1 3.34Å; I192-I195 PolarHBondContact O-N 3.14Å; I192-L196 HydrophobicContact CG2-CD1 3.73Å; I192-L196 HydrophobicContact CG2-CG 4.28Å; I192-L196 WeakPolarHBondContact O-CB 3.28Å; I192-L196 WeakPolarHBondContact O-CG 3.44Å; I192-L196 PolarHBondContact O-N 2.94Å
193	P	90.2	Very high	87.4	Confident	63 Å²	63	67.9 Å²	67.9	41%	0.409	35%	0.349	S	S	.	.	H	α-helix	trans	-62.1	-42.9	178.5	-26.1	37	0	0	0	113.3	Q188 L196 D197	Q188-P193 VanDerWaalsContact O-CD 3.29Å; Q188-P193 WeakPolarHBondContact O-CD 3.22Å; P193-L196 PolarHBondContact O-N 3.38Å; P193-D197 WeakPolarHBondContact O-CB 3.26Å; P193-D197 PolarHBondContact O-N 2.74Å
194	Q	89.3	Confident	86	Confident	75 Å²	75	68.8 Å²	68.8	35%	0.35	35%	0.353	S	S	.	.	H	α-helix	trans	-67.4	-41.9	-179.8	-76.5	177.6	72.8	0	0	112.4	I177 R190 I191 I192 L196 L198	I177-Q194 HydrophobicContact CD1-CB 3.97Å; R190-Q194 WeakPolarHBondContact O-CB 3.26Å; R190-Q194 VanDerWaalsContact O-CG 3.28Å; R190-Q194 WeakPolarHBondContact O-CG 3.29Å; R190-Q194 PolarHBondContact O-NE2 2.9Å; I191-Q194 PolarHBondContact O-N 3.25Å; I191-Q194 VanDerWaalsContact O-N 3.1Å; I192-Q194 PolarHBondContact O-N 2.91Å; Q194-L196 VanDerWaalsContact C-N 3.32Å; Q194-L196 PolarHBondContact O-N 3.34Å; Q194-L198 VanDerWaalsContact O-CB 3.24Å; Q194-L198 WeakPolarHBondContact O-CB 3.34Å; Q194-L198 PolarHBondContact O-N 2.91Å
195	I	89.8	Confident	84.7	Confident	28 Å²	28	64.7 Å²	64.7	14%	0.144	34%	0.343	C	S	.	.	H	α-helix	trans	-68.9	-33.9	178.9	71.8	176	0	0	0	111.3	W52 I86 I177 I191 I192 A199	W52-I195 HydrophobicContact CH2-CB 3.56Å; W52-I195 HydrophobicContact CH2-CD1 4.26Å; W52-I195 HydrophobicContact CH2-CG1 4.07Å; W52-I195 WeakPolarHBondContact CH2-O 3.47Å; W52-I195 HydrophobicContact CZ2-CB 3.89Å; W52-I195 HydrophobicContact CZ2-CD1 4.04Å; W52-I195 HydrophobicContact CZ2-CG1 3.89Å; W52-I195 WeakPolarHBondContact CZ2-O 3.37Å; W52-I195 HydrophobicContact CZ3-CB 4.23Å; I86-I195 HydrophobicContact CD1-CB 3.6Å; I86-I195 HydrophobicContact CD1-CG2 3.39Å; I86-I195 HydrophobicContact CG2-CG2 4.14Å; I177-I195 HydrophobicContact CD1-CG2 3.65Å; I191-I195 HydrophobicContact CG2-CG2 3.89Å; I191-I195 WeakPolarHBondContact O-CG2 3.36Å; I191-I195 PolarHBondContact O-N 2.98Å; I192-I195 VanDerWaalsContact O-CG1 3.26Å; I192-I195 WeakPolarHBondContact O-CG1 3.34Å; I192-I195 PolarHBondContact O-N 3.14Å; I195-A199 WeakPolarHBondContact O-CB 3.24Å; I195-A199 PolarHBondContact O-N 3.2Å
196	L	88.8	Confident	83.3	Confident	58 Å²	58	63 Å²	63	30%	0.304	34%	0.335	S	S	.	.	H	α-helix	trans	-70.4	-46.3	175.4	-72.4	177	0	0	0	111.7	I192 P193 Q194 L198 A199 Y200	I192-L196 HydrophobicContact CG2-CD1 3.73Å; I192-L196 HydrophobicContact CG2-CG 4.28Å; I192-L196 WeakPolarHBondContact O-CB 3.28Å; I192-L196 WeakPolarHBondContact O-CG 3.44Å; I192-L196 PolarHBondContact O-N 2.94Å; P193-L196 PolarHBondContact O-N 3.38Å; Q194-L196 VanDerWaalsContact C-N 3.32Å; Q194-L196 PolarHBondContact O-N 3.34Å; L196-L198 VanDerWaalsContact C-N 3.34Å; L196-L198 PolarHBondContact O-N 3.23Å; L196-A199 PolarHBondContact O-N 3.48Å; L196-Y200 HydrophobicContact CB-CD2 4.33Å; L196-Y200 HydrophobicContact CB-CE2 3.99Å; L196-Y200 HydrophobicContact CD2-CE2 4.28Å; L196-Y200 WeakPolarHBondContact O-CD2 3.39Å; L196-Y200 PolarHBondContact O-N 3.46Å
197	D	87.8	Confident	81.8	Confident	108 Å²	108	64 Å²	64	58%	0.578	34%	0.341	S	S	*	.	H	α-helix	trans	-57.8	-47	176.4	-178.2	60.1	0	0	0	111.7	P193 A199 Y200 T201	P193-D197 WeakPolarHBondContact O-CB 3.26Å; P193-D197 PolarHBondContact O-N 2.74Å; D197-A199 VanDerWaalsContact C-N 3.32Å; D197-A199 PolarHBondContact O-N 3.09Å; D197-Y200 PolarHBondContact O-N 3.45Å; D197-T201 VanDerWaalsContact O-CB 3.31Å; D197-T201 WeakPolarHBondContact O-CB 3.48Å; D197-T201 PolarHBondContact O-N 3.04Å; D197-T201 PolarHBondContact O-OG1 3.31Å
198	L	85.8	Confident	80.2	Confident	32 Å²	32	65.4 Å²	65.4	17%	0.168	35%	0.348	C	S	.	.	H	α-helix	trans	-57.2	-47.5	174.6	170	62.1	0	0	0	111.6	I86 H175 Q194 L196 T202	I86-L198 HydrophobicContact CD1-CD2 3.67Å; I86-L198 HydrophobicContact CG1-CD2 3.96Å; H175-L198 HydrophobicContact CB-CD2 3.65Å; H175-L198 WeakPolarHBondContact CD2-CD2 3.49Å; H175-L198 WeakPolarHBondContact CE1-CD1 3.29Å; H175-L198 WeakPolarHBondContact NE2-CD1 3.31Å; Q194-L198 VanDerWaalsContact O-CB 3.24Å; Q194-L198 WeakPolarHBondContact O-CB 3.34Å; Q194-L198 PolarHBondContact O-N 2.91Å; L196-L198 VanDerWaalsContact C-N 3.34Å; L196-L198 PolarHBondContact O-N 3.23Å; L198-T202 VanDerWaalsContact O-CB 3.29Å; L198-T202 WeakPolarHBondContact O-CB 3.2Å; L198-T202 PolarHBondContact O-N 3.35Å; L198-T202 PolarHBondContact O-OG1 3.43Å
199	A	84.5	Confident	78.5	Confident	12 Å²	12	63.9 Å²	63.9	10%	0.099	34%	0.344	C	S	.	.	H	α-helix	trans	-68.2	-42.5	-174.9	0	0	0	0	0	111.8	I50 W52 I195 L196 D197 T202 T203	I50-A199 HydrophobicContact CB-CB 4.37Å; I50-A199 HydrophobicContact CD1-CB 3.21Å; I50-A199 HydrophobicContact CG1-CB 3.68Å; I50-A199 HydrophobicContact CG2-CB 4.07Å; W52-A199 HydrophobicContact CH2-CB 4.21Å; W52-A199 HydrophobicContact CZ2-CB 3.95Å; I195-A199 WeakPolarHBondContact O-CB 3.24Å; I195-A199 PolarHBondContact O-N 3.2Å; L196-A199 PolarHBondContact O-N 3.48Å; D197-A199 VanDerWaalsContact C-N 3.32Å; D197-A199 PolarHBondContact O-N 3.09Å; A199-T202 PolarHBondContact O-N 2.72Å; A199-T203 PolarHBondContact O-N 2.95Å; A199-T203 PolarHBondContact O-OG1 3.45Å
200	Y	83.3	Confident	76.8	Confident	95 Å²	95	65.7 Å²	65.7	37%	0.373	35%	0.346	S	S	.	.	H	α-helix	trans	-68.9	-39.9	176.7	-65.8	-51.1	0	0	0	113.1	K48 I50 L196 D197 T202 T203 I204	K48-Y200 HydrophobicContact CB-CE1 4.39Å; I50-Y200 HydrophobicContact CD1-CD1 4.05Å; I50-Y200 HydrophobicContact CD1-CE1 3.86Å; L196-Y200 HydrophobicContact CB-CD2 4.33Å; L196-Y200 HydrophobicContact CB-CE2 3.99Å; L196-Y200 HydrophobicContact CD2-CE2 4.28Å; L196-Y200 WeakPolarHBondContact O-CD2 3.39Å; L196-Y200 PolarHBondContact O-N 3.46Å; D197-Y200 PolarHBondContact O-N 3.45Å; Y200-T202 VanDerWaalsContact C-N 3.28Å; Y200-T202 PolarHBondContact O-N 3.49Å; Y200-T203 PolarHBondContact O-N 2.85Å; Y200-T203 PolarHBondContact O-OG1 2.89Å; Y200-I204 WeakPolarHBondContact O-CB 3.28Å; Y200-I204 WeakPolarHBondContact O-CD1 3.2Å; Y200-I204 WeakPolarHBondContact O-CG1 3.43Å; Y200-I204 PolarHBondContact O-N 3.47Å
201	T	81.7	Confident	74.8	Confident	84 Å²	84	66.1 Å²	66.1	52%	0.515	35%	0.353	S	S	.	.	H	α-helix	trans	-62.4	-40.7	177	-62.1	0	0	0	0	111.1	D197 S205	D197-T201 VanDerWaalsContact O-CB 3.31Å; D197-T201 WeakPolarHBondContact O-CB 3.48Å; D197-T201 PolarHBondContact O-N 3.04Å; D197-T201 PolarHBondContact O-OG1 3.31Å; T201-S205 PolarHBondContact O-N 2.98Å
202	T	76	Confident	72.3	Confident	37 Å²	37	73.2 Å²	73.2	23%	0.227	38%	0.379	C	S	.	.	H	α-helix	trans	-67.9	-46.8	178.8	-59	0	0	0	0	112	H84 L198 A199 Y200 S205 S206	H84-T202 WeakPolarHBondContact NE2-CG2 3.48Å; L198-T202 VanDerWaalsContact O-CB 3.29Å; L198-T202 WeakPolarHBondContact O-CB 3.2Å; L198-T202 PolarHBondContact O-N 3.35Å; L198-T202 PolarHBondContact O-OG1 3.43Å; A199-T202 PolarHBondContact O-N 2.72Å; Y200-T202 VanDerWaalsContact C-N 3.28Å; Y200-T202 PolarHBondContact O-N 3.49Å; T202-S205 PolarHBondContact O-N 3.07Å; T202-S206 PolarHBondContact O-N 3.46Å; T202-S206 VanDerWaalsContact O-N 3.09Å; T202-S206 PolarHBondContact O-OG 3.06Å
203	T	70.5	Confident	70	Confident	34 Å²	34	75.6 Å²	75.6	21%	0.209	39%	0.391	C	S	.	.	H	α-helix	trans	-67.2	-38.4	-179.4	33.7	0	0	0	0	112.9	C47 A199 Y200 S205 S206 D207	C47-T203 HydrophobicContact CB-CG2 4.39Å; C47-T203 PolarHBondContact O-OG1 3.18Å; C47-T203 VanDerWaalsContact O-OG1 3.1Å; A199-T203 PolarHBondContact O-N 2.95Å; A199-T203 PolarHBondContact O-OG1 3.45Å; Y200-T203 PolarHBondContact O-N 2.85Å; Y200-T203 PolarHBondContact O-OG1 2.89Å; T203-S205 VanDerWaalsContact C-N 3.32Å; T203-S205 PolarHBondContact O-N 3.41Å; T203-S206 WeakPolarHBondContact CA-OG 3.02Å; T203-S206 PolarHBondContact O-N 3.5Å; T203-S206 PolarHBondContact O-OG 3.34Å; T203-D207 PolarHBondContact O-N 3.1Å
204	I	62.5	Low	67.8	Low	97 Å²	97	79 Å²	79	50%	0.497	40%	0.402	S	S	.	.	H	α-helix	trans	-62.7	-41.3	176.4	-67.7	166.1	0	0	0	110.7	Y200 S206 D207 I208	Y200-I204 WeakPolarHBondContact O-CB 3.28Å; Y200-I204 WeakPolarHBondContact O-CD1 3.2Å; Y200-I204 WeakPolarHBondContact O-CG1 3.43Å; Y200-I204 PolarHBondContact O-N 3.47Å; I204-S206 VanDerWaalsContact C-N 3.34Å; I204-S206 PolarHBondContact O-N 3.45Å; I204-D207 PolarHBondContact O-N 2.91Å; I204-I208 HydrophobicContact CG2-CD1 3.88Å; I204-I208 WeakPolarHBondContact O-CG1 3.45Å; I204-I208 PolarHBondContact O-N 3.23Å; I204-I208 VanDerWaalsContact O-N 3.09Å
205	S	61.2	Low	65.6	Low	66 Å²	66	83.1 Å²	83.1	46%	0.462	42%	0.42	S	S	.	.	H	α-helix	trans	-61.9	-41.5	175.5	-172.2	0	0	0	0	111.9	T201 T202 T203 N209	T201-S205 PolarHBondContact O-N 2.98Å; T202-S205 PolarHBondContact O-N 3.07Å; T203-S205 VanDerWaalsContact C-N 3.32Å; T203-S205 PolarHBondContact O-N 3.41Å; S205-N209 PolarHBondContact O-N 3.26Å; S205-N209 PolarHBondContact O-ND2 3Å; S205-N209 VanDerWaalsContact O-ND2 3.08Å
206	S	61.3	Low	63.1	Low	52 Å²	52	88.4 Å²	88.4	36%	0.364	45%	0.449	S	S	.	.	H	α-helix	trans	-67	-40	176.3	57.4	0	0	0	0	113.4	T202 T203 I204 N209 Q210	T202-S206 PolarHBondContact O-N 3.46Å; T202-S206 VanDerWaalsContact O-N 3.09Å; T202-S206 PolarHBondContact O-OG 3.06Å; T203-S206 WeakPolarHBondContact CA-OG 3.02Å; T203-S206 PolarHBondContact O-N 3.5Å; T203-S206 PolarHBondContact O-OG 3.34Å; I204-S206 VanDerWaalsContact C-N 3.34Å; I204-S206 PolarHBondContact O-N 3.45Å; S206-N209 PolarHBondContact O-N 2.84Å; S206-Q210 WeakPolarHBondContact O-CG 3.3Å; S206-Q210 PolarHBondContact O-N 3.4Å
207	D	59.1	Low	60.5	Low	54 Å²	54	92 Å²	92	29%	0.289	47%	0.467	S	S	.	.	H	α-helix	trans	-64	-44.3	178.4	-79.8	-10.3	0	0	0	111.1	C47 T203 I204 N209 Q210 H211	C47-D207 WeakPolarHBondContact CB-OD2 3.33Å; C47-D207 PolarHBondContact SG-OD2 3.47Å; C47-D207 VanDerWaalsContact SG-OD2 3.4Å; T203-D207 PolarHBondContact O-N 3.1Å; I204-D207 PolarHBondContact O-N 2.91Å; D207-N209 VanDerWaalsContact C-N 3.3Å; D207-N209 PolarHBondContact O-N 2.9Å; D207-Q210 PolarHBondContact O-N 3.49Å; D207-H211 PolarHBondContact O-CD2 3.08Å; D207-H211 PolarHBondContact O-N 3.34Å
208	I	57.8	Low	58	Low	82 Å²	82	92.5 Å²	92.5	42%	0.421	48%	0.476	S	S	.	.	H	α-helix	trans	-60.8	-41.1	177.4	-67.8	167.3	0	0	0	111	I204 H211 R212	I204-I208 HydrophobicContact CG2-CD1 3.88Å; I204-I208 WeakPolarHBondContact O-CG1 3.45Å; I204-I208 PolarHBondContact O-N 3.23Å; I204-I208 VanDerWaalsContact O-N 3.09Å; I208-H211 PolarHBondContact O-N 3.34Å; I208-R212 WeakPolarHBondContact O-CG 3.47Å; I208-R212 PolarHBondContact O-N 2.96Å
209	N	56.3	Low	55.8	Low	77 Å²	77	100.5 Å²	100.5	41%	0.412	51%	0.51	S	S	.	.	H	α-helix	trans	-70.3	-38.6	178.4	-72.5	-34.3	0	0	0	112.4	S205 S206 D207 R212 L213	S205-N209 PolarHBondContact O-N 3.26Å; S205-N209 PolarHBondContact O-ND2 3Å; S205-N209 VanDerWaalsContact O-ND2 3.08Å; S206-N209 PolarHBondContact O-N 2.84Å; D207-N209 VanDerWaalsContact C-N 3.3Å; D207-N209 PolarHBondContact O-N 2.9Å; N209-R212 PolarHBondContact O-N 3.06Å; N209-L213 VanDerWaalsContact O-CD1 3.3Å; N209-L213 WeakPolarHBondContact O-CD1 3.43Å; N209-L213 PolarHBondContact O-N 3.2Å
210	Q	55.9	Low	53.7	Low	121 Å²	121	105.1 Å²	105.1	57%	0.565	54%	0.541	S	S	*	.	H	α-helix	trans	-62.7	-44	172.5	-76.5	-168.1	-17.4	0	0	111.7	S206 D207 R212 L213 H214	S206-Q210 WeakPolarHBondContact O-CG 3.3Å; S206-Q210 PolarHBondContact O-N 3.4Å; D207-Q210 PolarHBondContact O-N 3.49Å; Q210-R212 VanDerWaalsContact C-N 3.33Å; Q210-R212 PolarHBondContact O-N 3.3Å; Q210-L213 PolarHBondContact O-N 2.98Å; Q210-H214 PolarHBondContact O-CD2 3.04Å; Q210-H214 PolarHBondContact O-N 3.41Å
211	H	46.3	Very low	51.4	Low	125 Å²	125	109.5 Å²	109.5	58%	0.579	57%	0.565	S	S	*	*	H	α-helix	trans	-60.6	-40.5	175.3	-79.6	-63.6	0	0	0	112.3	D207 I208 H214 H215	D207-H211 PolarHBondContact O-CD2 3.08Å; D207-H211 PolarHBondContact O-N 3.34Å; I208-H211 PolarHBondContact O-N 3.34Å; H211-H214 PolarHBondContact O-N 3.33Å; H211-H215 PolarHBondContact O-CD2 3.41Å; H211-H215 PolarHBondContact O-N 3.48Å
212	R	39.3	Very low	49.3	Very low	168 Å²	168	112.3 Å²	112.3	63%	0.634	58%	0.582	S	S	*	*	H	α-helix	trans	-64.6	-39.5	174.1	-74.4	178.4	178.5	-176.9	0.2	112.9	I208 N209 Q210 H215	I208-R212 WeakPolarHBondContact O-CG 3.47Å; I208-R212 PolarHBondContact O-N 2.96Å; N209-R212 PolarHBondContact O-N 3.06Å; Q210-R212 VanDerWaalsContact C-N 3.33Å; Q210-R212 PolarHBondContact O-N 3.3Å; R212-H215 PolarHBondContact O-N 2.91Å
213	L	43.5	Very low	47.3	Very low	119 Å²	119	115.3 Å²	115.3	62%	0.623	61%	0.61	S	S	*	*	H	α-helix	trans	-65.8	-39	176.1	-99.5	81.4	0	0	0	112.4	N209 Q210 H215 L216	N209-L213 VanDerWaalsContact O-CD1 3.3Å; N209-L213 WeakPolarHBondContact O-CD1 3.43Å; N209-L213 PolarHBondContact O-N 3.2Å; Q210-L213 PolarHBondContact O-N 2.98Å; L213-H215 PolarHBondContact O-N 3.29Å; L213-L216 PolarHBondContact O-N 3Å
214	H	43.5	Very low	46	Very low	135 Å²	135	120.8 Å²	120.8	63%	0.625	67%	0.673	S	S	*	*	H	α-helix	trans	-64.7	-25.7	177.1	-83.8	-72.3	0	0	0	113.4	Q210 H211 L216	Q210-H214 PolarHBondContact O-CD2 3.04Å; Q210-H214 PolarHBondContact O-N 3.41Å; H211-H214 PolarHBondContact O-N 3.33Å; H214-L216 VanDerWaalsContact C-N 3.32Å
215	H	43.1	Very low	45.2	Very low	161 Å²	161	122 Å²	122	75%	0.745	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	-9.4	173.9	-70.2	-58.1	0	0	0	114.2	H211 R212 L213	H211-H215 PolarHBondContact O-CD2 3.41Å; H211-H215 PolarHBondContact O-N 3.48Å; R212-H215 PolarHBondContact O-N 2.91Å; L213-H215 PolarHBondContact O-N 3.29Å
216	L	36.9	Very low	44.4	Very low	140 Å²	140	124.9 Å²	124.9	73%	0.733	69%	0.693	S	S	*	*	S	Bend	trans	-105	-1.8	-177.5	-73.2	166.4	0	0	0	114.2	L213 H214 P218	L213-L216 PolarHBondContact O-N 3Å; H214-L216 VanDerWaalsContact C-N 3.32Å; L216-P218 WeakPolarHBondContact O-CD 3.32Å
217	L	33.5	Very low	43.4	Very low	134 Å²	134	128.9 Å²	128.9	70%	0.702	71%	0.712	S	S	*	*	S	Bend	trans	-84.1	117.8	170.5	-71.9	170.8	0	0	0	110	K219	L217-K219 PolarHBondContact O-N 3.13Å
218	P	36	Very low	42.5	Very low	117 Å²	117	133.4 Å²	133.4	76%	0.76	74%	0.736	S	S	*	*			trans	-68.8	135	-178.4	27.9	-32.8	0	0	0	110.3	L216 S220	L216-P218 WeakPolarHBondContact O-CD 3.32Å; P218-S220 PolarHBondContact O-N 3.39Å
219	K	39.7	Very low	41.6	Very low	201 Å²	201	136.6 Å²	136.6	87%	0.874	76%	0.756	S	S	*	*			trans	-55.5	109.5	174.2	-67.9	179.5	178.9	178.8	0	109.1	L217 H221	L217-K219 PolarHBondContact O-N 3.13Å; K219-H221 PolarHBondContact O-N 3.09Å
220	S	40.2	Very low	40.6	Very low	109 Å²	109	140.5 Å²	140.5	76%	0.762	78%	0.779	S	S	*	*			trans	-56.5	122.4	172.9	43.8	0	0	0	0	109.6	P218 V222	P218-S220 PolarHBondContact O-N 3.39Å; S220-V222 PolarHBondContact O-N 3.2Å
221	H	35.9	Very low	39.5	Very low	187 Å²	187	141.9 Å²	141.9	87%	0.866	79%	0.794	S	S	*	*			trans	-61.2	117.3	168.8	-86.5	21.1	0	0	0	109.2	K219 A223	K219-H221 PolarHBondContact O-N 3.09Å; H221-A223 PolarHBondContact O-N 3.24Å
222	V	37.5	Very low	39	Very low	143 Å²	143	143.2 Å²	143.2	87%	0.867	81%	0.811	S	S	*	*			trans	-84.3	103.7	160.1	179	0	0	0	0	105.9	S220	S220-V222 PolarHBondContact O-N 3.2Å
223	A	34.3	Very low	38.9	Very low	100 Å²	100	141.2 Å²	141.2	83%	0.826	83%	0.826	S	S	*	*			trans	-109.5	115.9	166.1	0	0	0	0	0	107.2	H221	H221-A223 PolarHBondContact O-N 3.24Å
224	G	43.2	Very low	38.5	Very low	148 Å²	148	143.2 Å²	143.2	100%	1.526	84%	0.844	S	S	*	*			trans	-172.7	0	176.3	0	0	0	0	0	108.1

Retrieved 224 of 224 residues in 311.4 ms (Link to these results)

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