A0A096MU35_PAPAN Loading...

Zinc finger and SCAN domain containing 30

May be involved in transcriptional regulation.

AlphaFold DB , UniProt , Accession A0A096MU35, Species PAPAN (Papio anubis, Olive baboon), Gene ZSCAN30, Length 492 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.1	Very low	30.7	Very low	229 Å²	229	135.8 Å²	135.8	100%	1.128	80%	0.798	S	S	*	*				0	94	0	-62	-170.8	78.6	0	0	105.1
2	S	34.5	Very low	30.7	Very low	117 Å²	117	131.4 Å²	131.4	82%	0.818	79%	0.788	S	S	*	*				69.7	125.9	99.5	57.4	0	0	0	0	111
3	G	31.6	Very low	31.1	Very low	67 Å²	67	131.2 Å²	131.2	69%	0.691	79%	0.792	S	S	*	*			cis	-165.8	156.3	10.9	0	0	0	0	0	108.2
4	E	28.2	Very low	31.1	Very low	193 Å²	193	134.6 Å²	134.6	90%	0.902	80%	0.795	S	S	*	*				51.1	105.1	98.4	-73.9	-173.8	155.6	0	0	114.6
5	A	29.3	Very low	31.2	Very low	87 Å²	87	138.7 Å²	138.7	72%	0.719	80%	0.803	S	S	*	*				91.4	131.2	94.4	0	0	0	0	0	111.1
6	T	31.2	Very low	31.5	Very low	123 Å²	123	141.6 Å²	141.6	76%	0.755	81%	0.807	S	S	*	*				173.1	119.7	70.6	-55.6	0	0	0	0	107.4
7	V	29.9	Very low	31.6	Very low	122 Å²	122	145.1 Å²	145.1	74%	0.739	82%	0.815	S	S	*	*				65.9	130.6	108.1	-175.4	0	0	0	0	118.7	A9	V7-A9 HydrophobicContact CG1-CB 4.11Å
8	L	30.3	Very low	31.6	Very low	167 Å²	167	140.7 Å²	140.7	87%	0.874	81%	0.807	S	S	*	*			trans	-178.1	101.9	137.6	-92.8	172.5	0	0	0	106.7
9	A	30	Very low	31.5	Very low	68 Å²	68	141.8 Å²	141.8	56%	0.562	81%	0.809	S	S	*	*			cis	85.1	130.9	47	0	0	0	0	0	115.4	V7	V7-A9 HydrophobicContact CG1-CB 4.11Å
10	N	28.6	Very low	31.3	Very low	137 Å²	137	142.5 Å²	142.5	73%	0.733	81%	0.809	S	S	*	*			trans	115.7	122.5	158.8	-57.7	-18.6	0	0	0	114.5
11	H	30.1	Very low	31.3	Very low	184 Å²	184	141.9 Å²	141.9	85%	0.852	80%	0.802	S	S	*	*			cis	-148.4	151.4	24.7	-104.7	-72.9	0	0	0	115.2
12	A	31.1	Very low	30.9	Very low	83 Å²	83	136.9 Å²	136.9	69%	0.686	79%	0.785	S	S	*	*			trans	-66.8	-179.3	-178.6	0	0	0	0	0	116.3
13	P	35.8	Very low	30.6	Very low	128 Å²	128	138.7 Å²	138.7	83%	0.831	78%	0.778	S	S	*	*			cis	-141.8	169.4	29.8	39.9	-17.1	0	0	0	121.2
14	E	31.2	Very low	30.4	Very low	179 Å²	179	142.2 Å²	142.2	84%	0.836	79%	0.785	S	S	*	*			trans	-64.1	155.2	174	-60.3	170.2	131.5	0	0	113.4
15	E	31.5	Very low	30.4	Very low	196 Å²	196	140 Å²	140	92%	0.916	78%	0.775	S	S	*	*				-167.2	152.7	128.2	-103.4	170.9	-163.2	0	0	110.8
16	Q	36	Very low	30.7	Very low	185 Å²	185	144.2 Å²	144.2	86%	0.864	78%	0.78	S	S	*	*			trans	-78	145	-161.2	-62.7	159.7	-27.2	0	0	114.5
17	E	33.2	Very low	30.6	Very low	202 Å²	202	147.3 Å²	147.3	94%	0.944	79%	0.786	S	S	*	*			trans	-141.6	99.3	153.6	-75.5	-165	156.5	0	0	113.6
18	G	31.9	Very low	30.7	Very low	66 Å²	66	148.2 Å²	148.2	68%	0.68	79%	0.787	S	S	*	*				33.7	114.4	123.9	0	0	0	0	0	121	L20	G18-L20 PolarHBondContact O-N 3.49Å; G18-L20 VanDerWaalsContact O-N 3.12Å
19	L	30.5	Very low	30.5	Very low	161 Å²	161	151 Å²	151	84%	0.843	79%	0.787	S	S	*	*			trans	-55.6	103.7	154.2	-174.5	76.5	0	0	0	110.8
20	L	26.1	Very low	30.4	Very low	155 Å²	155	153.4 Å²	153.4	81%	0.812	80%	0.795	S	S	*	*			trans	-95.6	94.9	170.2	-88.8	161.1	0	0	0	110.5	G18 V22	G18-L20 PolarHBondContact O-N 3.49Å; G18-L20 VanDerWaalsContact O-N 3.12Å; L20-V22 PolarHBondContact O-N 3.37Å; L20-V22 VanDerWaalsContact O-N 3.16Å
21	I	31.9	Very low	31.1	Very low	130 Å²	130	154.8 Å²	154.8	67%	0.667	80%	0.801	S	S	*	*			trans	-66.8	100.7	155.2	-63.4	172	0	0	0	105.9	K23	I21-K23 PolarHBondContact O-N 3.48Å
22	V	26.5	Very low	31.1	Very low	124 Å²	124	148.8 Å²	148.8	75%	0.752	79%	0.789	S	S	*	*			trans	-76.3	95.8	169.6	-177.8	0	0	0	0	107.4	L20 V24	L20-V22 PolarHBondContact O-N 3.37Å; L20-V22 VanDerWaalsContact O-N 3.16Å; V22-V24 PolarHBondContact O-N 3.37Å
23	K	26.8	Very low	31	Very low	155 Å²	155	153.1 Å²	153.1	67%	0.674	80%	0.795	S	S	*	*			trans	-53.8	130.9	156.7	-73.6	173.9	176.3	174.1	0	107.3	I21 E25	I21-K23 PolarHBondContact O-N 3.48Å; K23-E25 HydrophobicContact CB-CG 4.19Å; K23-E25 PolarHBondContact O-N 3.21Å
24	V	29.2	Very low	30.8	Very low	141 Å²	141	154.4 Å²	154.4	86%	0.855	80%	0.795	S	S	*	*			trans	-70.1	91.2	161.1	178.1	0	0	0	0	105	V22 E26	V22-V24 PolarHBondContact O-N 3.37Å; V24-E26 PolarHBondContact O-N 3.29Å
25	E	26.7	Very low	30.7	Very low	148 Å²	148	154.1 Å²	154.1	69%	0.692	79%	0.792	S	S	*	*			trans	-72.2	118.7	167.1	-70.2	-176.4	164.3	0	0	106.8	K23 E27	K23-E25 HydrophobicContact CB-CG 4.19Å; K23-E25 PolarHBondContact O-N 3.21Å; E25-E27 VanDerWaalsContact C-N 3.27Å; E25-E27 PolarHBondContact O-N 2.84Å
26	E	37.3	Very low	30.9	Very low	175 Å²	175	147.7 Å²	147.7	82%	0.818	78%	0.777	S	S	*	*			trans	-56.4	96	161.3	-70.9	173.8	147.9	0	0	107.2	V24 N28	V24-E26 PolarHBondContact O-N 3.29Å; E26-N28 VanDerWaalsContact C-N 3.27Å; E26-N28 PolarHBondContact O-N 3.07Å
27	E	28.5	Very low	31	Very low	187 Å²	187	144.4 Å²	144.4	87%	0.874	77%	0.765	S	S	*	*			trans	-68.4	96.7	167.2	-74.9	-171.3	165.3	0	0	108	E25 Y29	E25-E27 VanDerWaalsContact C-N 3.27Å; E25-E27 PolarHBondContact O-N 2.84Å; E27-Y29 PolarHBondContact O-N 3.39Å
28	N	30.7	Very low	31	Very low	141 Å²	141	144 Å²	144	75%	0.754	76%	0.763	S	S	*	*			trans	-40.9	103.1	161.2	-71.1	-67.4	0	0	0	110.8	E26 V30	E26-N28 VanDerWaalsContact C-N 3.27Å; E26-N28 PolarHBondContact O-N 3.07Å; N28-V30 PolarHBondContact O-N 3.28Å
29	Y	26.5	Very low	31.6	Very low	225 Å²	225	144.7 Å²	144.7	88%	0.882	77%	0.77	S	S	*	*			trans	-70.8	109.5	153	-164.6	-99.1	0	0	0	106.7	E27 L31	E27-Y29 PolarHBondContact O-N 3.39Å; Y29-L31 PolarHBondContact O-N 2.74Å
30	V	28.2	Very low	32.2	Very low	120 Å²	120	140 Å²	140	73%	0.727	75%	0.746	S	S	*	*			trans	-60.8	99.4	-177.2	175.6	0	0	0	0	109.4	N28 G32	N28-V30 PolarHBondContact O-N 3.28Å; V30-G32 PolarHBondContact O-N 3.45Å
31	L	43.8	Very low	33.2	Very low	165 Å²	165	136.4 Å²	136.4	86%	0.864	73%	0.732	S	S	*	*			trans	-69.2	108.4	156.5	-160	84.7	0	0	0	106.4	Y29	Y29-L31 PolarHBondContact O-N 2.74Å
32	G	28.7	Very low	33.8	Very low	59 Å²	59	138 Å²	138	61%	0.608	73%	0.73	S	S	*	*			trans	178.5	53.8	-172.8	0	0	0	0	0	115.4	V30	V30-G32 PolarHBondContact O-N 3.45Å
33	Q	29.3	Very low	35.4	Very low	174 Å²	174	134.3 Å²	134.3	81%	0.813	71%	0.71	S	S	*	*			trans	-131.7	94.8	139.2	-107.3	174.1	13.5	0	0	107.6	F35	Q33-F35 VanDerWaalsContact C-N 3.32Å; Q33-F35 PolarHBondContact O-N 3.26Å
34	D	31.5	Very low	37.2	Very low	154 Å²	154	129 Å²	129	82%	0.824	69%	0.688	S	S	*	*			trans	-64.3	90.7	170.8	-151.3	0.5	0	0	0	107.8	G36	D34-G36 VanDerWaalsContact C-N 3.25Å; D34-G36 PolarHBondContact O-N 2.81Å
35	F	30.5	Very low	39.1	Very low	174 Å²	174	123.2 Å²	123.2	76%	0.763	65%	0.651	S	S	*	*			trans	-85.4	87	149.3	-81.7	-79.1	0	0	0	105.4	Q33 L37	Q33-F35 VanDerWaalsContact C-N 3.32Å; Q33-F35 PolarHBondContact O-N 3.26Å; F35-L37 PolarHBondContact O-N 2.97Å
36	G	35.5	Very low	41.3	Very low	60 Å²	60	119 Å²	119	62%	0.619	64%	0.636	S	S	*	*			trans	-50.1	104	167.9	0	0	0	0	0	109.1	D34	D34-G36 VanDerWaalsContact C-N 3.25Å; D34-G36 PolarHBondContact O-N 2.81Å
37	L	37.1	Very low	43.2	Very low	116 Å²	116	113.2 Å²	113.2	61%	0.607	61%	0.607	S	S	*	*			trans	-137.8	81	164.9	-70.6	178.5	0	0	0	105.8	F35 G39	F35-L37 PolarHBondContact O-N 2.97Å; L37-G39 PolarHBondContact O-N 2.98Å
38	E	34.8	Very low	45.4	Very low	194 Å²	194	104.7 Å²	104.7	91%	0.907	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-43.3	125.6	149.3	-75.4	-179.4	143.3	0	0	108.5	N40	E38-N40 PolarHBondContact O-N 3.4Å; E38-N40 VanDerWaalsContact O-N 3.14Å
39	G	44.3	Very low	47.4	Very low	80 Å²	80	101.6 Å²	101.6	83%	0.825	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	41.7	58.7	159.4	0	0	0	0	0	116.6	L37 P41	L37-G39 PolarHBondContact O-N 2.98Å; G39-P41 WeakPolarHBondContact O-CD 3.4Å
40	N	42.1	Very low	49.8	Very low	63 Å²	63	96 Å²	96	34%	0.337	53%	0.529	S	S	.	.			trans	-104	104.3	164.6	-159.3	-7.2	0	0	0	110.1	E38 W42 S43	E38-N40 PolarHBondContact O-N 3.4Å; E38-N40 VanDerWaalsContact O-N 3.14Å; N40-W42 PolarHBondContact O-N 3.48Å; N40-W42 WeakPolarHBondContact OD1-CB 3.39Å; N40-W42 PolarHBondContact OD1-N 3.11Å; N40-S43 WeakPolarHBondContact O-CB 3.41Å; N40-S43 PolarHBondContact O-N 2.81Å; N40-S43 PolarHBondContact O-OG 2.92Å
41	P	47.2	Very low	52.4	Low	80 Å²	80	93.1 Å²	93.1	52%	0.519	51%	0.506	S	S	.	.	H	α-helix	trans	-55	-22.4	175.6	-25.1	33.6	0	0	0	113	G39 S43	G39-P41 WeakPolarHBondContact O-CD 3.4Å; P41-S43 PolarHBondContact O-N 3.1Å
42	W	43.9	Very low	53.9	Low	162 Å²	162	88.4 Å²	88.4	61%	0.614	48%	0.477	S	S	*	.	H	α-helix	trans	-65.2	-18.4	175.9	-65.7	69.8	0	0	0	113.4	N40 V46 R112	N40-W42 PolarHBondContact O-N 3.48Å; N40-W42 WeakPolarHBondContact OD1-CB 3.39Å; N40-W42 PolarHBondContact OD1-N 3.11Å; W42-V46 WeakPolarHBondContact O-CG2 3.47Å; W42-R112 VanDerWaalsContact CG-NH1 3.33Å
43	S	60.1	Low	56.2	Low	47 Å²	47	92.4 Å²	92.4	33%	0.329	48%	0.48	S	S	.	.	H	α-helix	trans	-79.3	-40.9	179.8	63.2	0	0	0	0	113.1	N40 P41 V46 F47	N40-S43 WeakPolarHBondContact O-CB 3.41Å; N40-S43 PolarHBondContact O-N 2.81Å; N40-S43 PolarHBondContact O-OG 2.92Å; P41-S43 PolarHBondContact O-N 3.1Å; S43-V46 PolarHBondContact O-N 2.81Å; S43-F47 WeakPolarHBondContact O-CD2 3.44Å; S43-F47 WeakPolarHBondContact O-CE2 3.4Å; S43-F47 PolarHBondContact O-N 3.38Å
44	Q	64.6	Low	58.7	Low	45 Å²	45	86.6 Å²	86.6	21%	0.21	45%	0.452	C	S	.	.	H	α-helix	trans	-73.7	-41.4	-173.4	-166.4	178.7	13.8	0	0	112.5	V46 F47 R48 W76	Q44-V46 VanDerWaalsContact C-N 3.28Å; Q44-V46 PolarHBondContact O-N 2.82Å; Q44-F47 PolarHBondContact O-N 3.39Å; Q44-R48 WeakPolarHBondContact O-CG 3.45Å; Q44-R48 PolarHBondContact O-N 3.49Å; Q44-W76 PolarHBondContact NE2-O 2.99Å
45	E	69.7	Low	60.6	Low	18 Å²	18	81.1 Å²	81.1	8%	0.084	43%	0.426	C	S	.	.	H	α-helix	trans	-64.8	-33.1	176.9	-179.3	54.5	-154.9	0	0	111.8	F47 R48 Q49 R52	E45-F47 VanDerWaalsContact C-N 3.34Å; E45-F47 PolarHBondContact O-N 2.95Å; E45-R48 WeakPolarHBondContact O-CB 2.97Å; E45-R48 PolarHBondContact O-N 2.89Å; E45-R48 WeakPolarHBondContact OE2-CD 2.85Å; E45-Q49 WeakPolarHBondContact O-CB 3.36Å; E45-Q49 VanDerWaalsContact O-CG 3.3Å; E45-Q49 WeakPolarHBondContact O-CG 3.45Å; E45-Q49 PolarHBondContact O-N 3.26Å; E45-Q49 WeakPolarHBondContact OE1-CG 3.37Å; E45-Q49 PolarHBondContact OE1-NE2 3.28Å; E45-R52 IonicContact OE1-NH1 3.49Å
46	V	73.8	Confident	62.6	Low	61 Å²	61	79.5 Å²	79.5	37%	0.37	42%	0.416	S	S	.	.	H	α-helix	trans	-64.2	-38.6	174.7	169.2	0	0	0	0	111.7	W42 S43 Q44 K50	W42-V46 WeakPolarHBondContact O-CG2 3.47Å; S43-V46 PolarHBondContact O-N 2.81Å; Q44-V46 VanDerWaalsContact C-N 3.28Å; Q44-V46 PolarHBondContact O-N 2.82Å; V46-K50 HydrophobicContact CG1-CD 4.31Å; V46-K50 WeakPolarHBondContact O-CB 3.13Å; V46-K50 VanDerWaalsContact O-CG 3.3Å; V46-K50 WeakPolarHBondContact O-CG 3.3Å; V46-K50 PolarHBondContact O-N 3.4Å
47	F	75.8	Confident	64.2	Low	52 Å²	52	81.6 Å²	81.6	23%	0.228	42%	0.421	C	S	.	.	H	α-helix	trans	-73.4	-35.5	175.6	-65.8	-62.4	0	0	0	112.5	S43 Q44 E45 K50 F51 Q75 W76	S43-F47 WeakPolarHBondContact O-CD2 3.44Å; S43-F47 WeakPolarHBondContact O-CE2 3.4Å; S43-F47 PolarHBondContact O-N 3.38Å; Q44-F47 PolarHBondContact O-N 3.39Å; E45-F47 VanDerWaalsContact C-N 3.34Å; E45-F47 PolarHBondContact O-N 2.95Å; F47-K50 PolarHBondContact O-N 2.75Å; F47-F51 WeakPolarHBondContact O-CB 3.49Å; F47-F51 PolarHBondContact O-N 3.08Å; F47-Q75 HydrophobicContact CD1-CB 3.9Å; F47-Q75 HydrophobicContact CD2-CB 4.27Å; F47-Q75 HydrophobicContact CE1-CB 4.18Å; F47-Q75 HydrophobicContact CG-CB 3.98Å; F47-Q75 HydrophobicContact CZ-CB 4.48Å; F47-W76 HydrophobicContact CB-CB 4.2Å
48	R	75.6	Confident	65.6	Low	9 Å²	9	81.5 Å²	81.5	3%	0.034	42%	0.421	C	S	.	.	H	α-helix	trans	-58.3	-47.7	170.2	-72.5	180	-172.2	-164.5	2.3	111.7	Q44 E45 F51 R52 W76	Q44-R48 WeakPolarHBondContact O-CG 3.45Å; Q44-R48 PolarHBondContact O-N 3.49Å; E45-R48 WeakPolarHBondContact O-CB 2.97Å; E45-R48 PolarHBondContact O-N 2.89Å; E45-R48 WeakPolarHBondContact OE2-CD 2.85Å; R48-F51 WeakPolarHBondContact O-CB 3.48Å; R48-F51 PolarHBondContact O-N 2.81Å; R48-R52 WeakPolarHBondContact O-CG 3.28Å; R48-R52 PolarHBondContact O-N 3.32Å; R48-W76 HydrophobicContact CG-CD2 4.06Å; R48-W76 HydrophobicContact CG-CG 3.83Å; R48-W76 HydrophobicContact CG-CZ2 4.37Å
49	Q	71.6	Confident	67.5	Low	75 Å²	75	73.3 Å²	73.3	35%	0.35	39%	0.385	S	S	.	.	H	α-helix	trans	-64.2	-42.3	178.4	-72.5	177.1	4.6	0	0	112.2	E45 F51 R52 Q53	E45-Q49 WeakPolarHBondContact O-CB 3.36Å; E45-Q49 VanDerWaalsContact O-CG 3.3Å; E45-Q49 WeakPolarHBondContact O-CG 3.45Å; E45-Q49 PolarHBondContact O-N 3.26Å; E45-Q49 WeakPolarHBondContact OE1-CG 3.37Å; E45-Q49 PolarHBondContact OE1-NE2 3.28Å; Q49-F51 VanDerWaalsContact C-N 3.29Å; Q49-F51 PolarHBondContact O-N 3.09Å; Q49-R52 PolarHBondContact O-N 3.39Å; Q49-Q53 WeakPolarHBondContact O-CB 3.39Å; Q49-Q53 WeakPolarHBondContact O-CG 3.31Å; Q49-Q53 PolarHBondContact O-N 3.28Å
50	K	78.1	Confident	69	Low	109 Å²	109	76 Å²	76	47%	0.474	39%	0.385	S	S	.	.	H	α-helix	trans	-63.6	-34.1	174.4	-75	175.7	-179.7	177.5	0	112.7	V46 F47 F54 L72	V46-K50 HydrophobicContact CG1-CD 4.31Å; V46-K50 WeakPolarHBondContact O-CB 3.13Å; V46-K50 VanDerWaalsContact O-CG 3.3Å; V46-K50 WeakPolarHBondContact O-CG 3.3Å; V46-K50 PolarHBondContact O-N 3.4Å; F47-K50 PolarHBondContact O-N 2.75Å; K50-F54 PolarHBondContact O-N 3.39Å; K50-F54 VanDerWaalsContact O-N 3.14Å; K50-L72 HydrophobicContact CB-CD2 3.89Å
51	F	81.8	Confident	70.8	Confident	58 Å²	58	73.8 Å²	73.8	25%	0.254	38%	0.378	S	S	.	.	H	α-helix	trans	-66.1	-44.2	173.1	179.6	-97.2	0	0	0	111.6	F47 R48 Q49 Q53 F54 L69 L72 C73 W76	F47-F51 WeakPolarHBondContact O-CB 3.49Å; F47-F51 PolarHBondContact O-N 3.08Å; R48-F51 WeakPolarHBondContact O-CB 3.48Å; R48-F51 PolarHBondContact O-N 2.81Å; Q49-F51 VanDerWaalsContact C-N 3.29Å; Q49-F51 PolarHBondContact O-N 3.09Å; F51-Q53 PolarHBondContact O-N 3.03Å; F51-F54 WeakPolarHBondContact O-CB 3.4Å; F51-F54 PolarHBondContact O-N 3.07Å; F51-L69 HydrophobicContact CD2-CD1 3.88Å; F51-L69 HydrophobicContact CE2-CD1 3.42Å; F51-L69 VanDerWaalsContact CE2-CD1 3.42Å; F51-L69 HydrophobicContact CE2-CG 4.2Å; F51-L69 HydrophobicContact CZ-CD1 4.32Å; F51-L72 HydrophobicContact CD2-CB 4.29Å; F51-C73 WeakPolarHBondContact CE2-SG 3.32Å; F51-W76 HydrophobicContact CD1-CE3 4.23Å; F51-W76 AromaticContact CD1-CZ3 3.97Å; F51-W76 HydrophobicContact CD1-CZ3 3.97Å; F51-W76 AromaticContact CE1-CZ3 3.99Å; F51-W76 HydrophobicContact CE1-CZ3 3.99Å; F51-W76 HydrophobicContact CG-CE3 4.27Å; F51-W76 HydrophobicContact CG-CZ3 4.45Å; F51-W76 HydrophobicContact CZ-CZ3 4.48Å
52	R	75.7	Confident	72	Confident	66 Å²	66	74 Å²	74	25%	0.249	38%	0.379	C	S	.	.	H	α-helix	trans	-62.5	-38.9	176.2	-71.6	172.5	172.7	159.4	-0.3	113.4	E45 R48 Q49 F54 E94	E45-R52 IonicContact OE1-NH1 3.49Å; R48-R52 WeakPolarHBondContact O-CG 3.28Å; R48-R52 PolarHBondContact O-N 3.32Å; Q49-R52 PolarHBondContact O-N 3.39Å; R52-F54 VanDerWaalsContact C-N 3.33Å; R52-E94 IonicContact CZ-OE1 3.3Å; R52-E94 VanDerWaalsContact CZ-OE1 3.23Å; R52-E94 IonicContact CZ-OE2 3.55Å; R52-E94 VanDerWaalsContact CZ-OE2 3.3Å; R52-E94 IonicContact NE-OE1 3.43Å; R52-E94 PolarHBondContact NE-OE1 3.36Å; R52-E94 IonicContact NE-OE2 3.98Å; R52-E94 PolarHBondContact NE-OE2 3.02Å; R52-E94 IonicContact NH2-OE1 3.85Å; R52-E94 PolarHBondContact NH2-OE1 2.87Å; R52-E94 IonicContact NH2-OE2 2.66Å; R52-E94 PolarHBondContact NH2-OE2 3.33Å
53	Q	76.5	Confident	73.5	Confident	144 Å²	144	76 Å²	76	67%	0.673	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-3.1	-176.4	-66.9	172.4	9.9	0	0	113.1	Q49 F51 S55	Q49-Q53 WeakPolarHBondContact O-CB 3.39Å; Q49-Q53 WeakPolarHBondContact O-CG 3.31Å; Q49-Q53 PolarHBondContact O-N 3.28Å; F51-Q53 PolarHBondContact O-N 3.03Å; Q53-S55 PolarHBondContact O-N 3.35Å
54	F	82.6	Confident	74.5	Confident	51 Å²	51	78.3 Å²	78.3	22%	0.224	39%	0.392	C	S	.	.			trans	-64.7	118	-179	178.6	-100.2	0	0	0	110.8	K50 F51 R52 A65 R68 L69 L72	K50-F54 PolarHBondContact O-N 3.39Å; K50-F54 VanDerWaalsContact O-N 3.14Å; F51-F54 WeakPolarHBondContact O-CB 3.4Å; F51-F54 PolarHBondContact O-N 3.07Å; R52-F54 VanDerWaalsContact C-N 3.33Å; F54-A65 HydrophobicContact CZ-CB 4.19Å; F54-R68 HydrophobicContact CD2-CG 4.35Å; F54-R68 HydrophobicContact CE2-CB 3.98Å; F54-R68 HydrophobicContact CE2-CG 3.76Å; F54-R68 HydrophobicContact CZ-CB 4.35Å; F54-L69 HydrophobicContact CD1-CD1 3.87Å; F54-L69 HydrophobicContact CE1-CB 4.36Å; F54-L69 HydrophobicContact CE1-CD1 4.24Å; F54-L69 HydrophobicContact CG-CD1 4.49Å; F54-L72 HydrophobicContact CB-CD1 4.15Å; F54-L72 HydrophobicContact CD2-CD1 3.92Å; F54-L72 HydrophobicContact CG-CD1 4.2Å
55	S	71.4	Confident	75.3	Confident	39 Å²	39	76.6 Å²	76.6	27%	0.273	39%	0.386	S	S	.	.			trans	-111.6	148.9	175.8	81.2	0	0	0	0	110.9	Q53 S57 D58	Q53-S55 PolarHBondContact O-N 3.35Å; S55-S57 WeakPolarHBondContact CB-OG 3.34Å; S55-S57 PolarHBondContact O-N 3.45Å; S55-S57 PolarHBondContact OG-OG 3.43Å; S55-D58 WeakPolarHBondContact CB-OD2 3.3Å; S55-D58 PolarHBondContact N-OD2 3.4Å; S55-D58 VanDerWaalsContact N-OD2 3.14Å; S55-D58 WeakPolarHBondContact O-CB 3.4Å; S55-D58 PolarHBondContact O-N 3.21Å; S55-D58 VanDerWaalsContact O-N 3.08Å; S55-D58 PolarHBondContact OG-OD1 3.09Å; S55-D58 PolarHBondContact OG-OD2 3.18Å
56	Y	73.3	Confident	75.7	Confident	141 Å²	141	81.4 Å²	81.4	55%	0.553	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-62.3	-28.9	178.1	-173.8	-99.9	0	0	0	112.5	D58 S59 P62 A65	Y56-D58 PolarHBondContact O-N 3.35Å; Y56-S59 PolarHBondContact O-N 3.2Å; Y56-S59 PolarHBondContact O-OG 3.13Å; Y56-P62 HydrophobicContact CE2-CB 4.37Å; Y56-P62 VanDerWaalsContact OH-CD 3.32Å; Y56-P62 WeakPolarHBondContact OH-CD 3.45Å; Y56-A65 HydrophobicContact CD2-CB 3.88Å; Y56-A65 HydrophobicContact CE2-CB 3.84Å
57	S	67.2	Low	76.1	Confident	104 Å²	104	82 Å²	82	73%	0.727	42%	0.418	S	S	*	.	G	3₁₀ helix	trans	-60.4	-18.1	174.3	26.2	0	0	0	0	114.1	S55 S59	S55-S57 WeakPolarHBondContact CB-OG 3.34Å; S55-S57 PolarHBondContact O-N 3.45Å; S55-S57 PolarHBondContact OG-OG 3.43Å; S57-S59 PolarHBondContact O-N 3.38Å
58	D	66.8	Low	76.4	Confident	114 Å²	114	86.3 Å²	86.3	61%	0.61	43%	0.433	S	S	*	.	G	3₁₀ helix	trans	-85.1	10.7	179.4	-55.7	-43.6	0	0	0	113.2	S55 Y56	S55-D58 WeakPolarHBondContact CB-OD2 3.3Å; S55-D58 PolarHBondContact N-OD2 3.4Å; S55-D58 VanDerWaalsContact N-OD2 3.14Å; S55-D58 WeakPolarHBondContact O-CB 3.4Å; S55-D58 PolarHBondContact O-N 3.21Å; S55-D58 VanDerWaalsContact O-N 3.08Å; S55-D58 PolarHBondContact OG-OD1 3.09Å; S55-D58 PolarHBondContact OG-OD2 3.18Å; Y56-D58 PolarHBondContact O-N 3.35Å
59	S	76.1	Confident	76.7	Confident	22 Å²	22	88.6 Å²	88.6	15%	0.154	45%	0.445	C	S	.	.	S	Bend	trans	-132.1	147.6	-175.9	71	0	0	0	0	113.2	Y56 S57 G61 A65	Y56-S59 PolarHBondContact O-N 3.2Å; Y56-S59 PolarHBondContact O-OG 3.13Å; S57-S59 PolarHBondContact O-N 3.38Å; S59-G61 PolarHBondContact O-N 3.31Å; S59-A65 WeakPolarHBondContact OG-CB 3.4Å
60	T	75	Confident	77.2	Confident	135 Å²	135	94.3 Å²	94.3	83%	0.828	46%	0.464	S	S	*	.	S	Bend	trans	-78.8	-0.3	179.1	68.4	0	0	0	0	113.3	E64	T60-E64 WeakPolarHBondContact CA-OE2 3.34Å; T60-E64 VanDerWaalsContact CB-OE2 3.26Å; T60-E64 WeakPolarHBondContact CB-OE2 3.43Å; T60-E64 PolarHBondContact N-OE2 3.26Å; T60-E64 PolarHBondContact OG1-OE2 3.49Å
61	G	79.4	Confident	77.6	Confident	18 Å²	18	92.8 Å²	92.8	19%	0.186	46%	0.458	C	S	.	.	S	Bend	trans	166.6	173.9	175.5	0	0	0	0	0	114.6	S59 R63 E64 A65	S59-G61 PolarHBondContact O-N 3.31Å; G61-R63 VanDerWaalsContact C-N 3.3Å; G61-R63 PolarHBondContact O-N 2.77Å; G61-E64 PolarHBondContact O-N 2.83Å; G61-E64 VanDerWaalsContact O-N 3.13Å; G61-A65 PolarHBondContact O-N 3.11Å
62	P	73.1	Confident	77.6	Confident	83 Å²	83	90.5 Å²	90.5	54%	0.539	45%	0.449	S	S	.	.	H	α-helix	trans	-64.5	-30.1	-170.2	24	-32.4	0	0	0	114	Y56 L66	Y56-P62 HydrophobicContact CE2-CB 4.37Å; Y56-P62 VanDerWaalsContact OH-CD 3.32Å; Y56-P62 WeakPolarHBondContact OH-CD 3.45Å; P62-L66 WeakPolarHBondContact O-CB 3.43Å; P62-L66 VanDerWaalsContact O-CG 3.27Å; P62-L66 WeakPolarHBondContact O-CG 3.38Å; P62-L66 PolarHBondContact O-N 3.49Å; P62-L66 VanDerWaalsContact O-N 3.14Å
63	R	76.2	Confident	77.9	Confident	206 Å²	206	89.1 Å²	89.1	78%	0.777	45%	0.449	S	S	*	.	H	α-helix	trans	-71	-41	177	179.7	176.6	-90.8	-150.3	-7.9	111.4	G61 S67	G61-R63 VanDerWaalsContact C-N 3.3Å; G61-R63 PolarHBondContact O-N 2.77Å; R63-S67 PolarHBondContact O-N 3.04Å; R63-S67 PolarHBondContact O-OG 3.07Å; R63-S67 VanDerWaalsContact O-OG 3.1Å
64	E	80.1	Confident	78.2	Confident	95 Å²	95	87.5 Å²	87.5	44%	0.444	44%	0.437	S	S	.	.	H	α-helix	trans	-70.6	-40.1	177.2	-172.3	177.6	-152.8	0	0	111	T60 G61 L66 S67 R68	T60-E64 WeakPolarHBondContact CA-OE2 3.34Å; T60-E64 VanDerWaalsContact CB-OE2 3.26Å; T60-E64 WeakPolarHBondContact CB-OE2 3.43Å; T60-E64 PolarHBondContact N-OE2 3.26Å; T60-E64 PolarHBondContact OG1-OE2 3.49Å; G61-E64 PolarHBondContact O-N 2.83Å; G61-E64 VanDerWaalsContact O-N 3.13Å; E64-L66 VanDerWaalsContact C-N 3.32Å; E64-L66 PolarHBondContact O-N 3.36Å; E64-S67 PolarHBondContact O-N 3.17Å; E64-R68 VanDerWaalsContact O-CB 3.32Å; E64-R68 WeakPolarHBondContact O-CB 3.38Å; E64-R68 PolarHBondContact O-N 3.39Å
65	A	80.6	Confident	78.2	Confident	8 Å²	8	87.9 Å²	87.9	7%	0.066	44%	0.439	C	S	.	.	H	α-helix	trans	-55.1	-47.6	173.9	0	0	0	0	0	111.9	F54 Y56 S59 G61 R68 L69	F54-A65 HydrophobicContact CZ-CB 4.19Å; Y56-A65 HydrophobicContact CD2-CB 3.88Å; Y56-A65 HydrophobicContact CE2-CB 3.84Å; S59-A65 WeakPolarHBondContact OG-CB 3.4Å; G61-A65 PolarHBondContact O-N 3.11Å; A65-R68 PolarHBondContact O-N 3.07Å; A65-L69 VanDerWaalsContact O-CB 3.29Å; A65-L69 WeakPolarHBondContact O-CB 3.29Å; A65-L69 PolarHBondContact O-N 2.85Å
66	L	78.4	Confident	78.7	Confident	120 Å²	120	86.2 Å²	86.2	63%	0.628	43%	0.427	S	S	*	.	H	α-helix	trans	-67.5	-40	178.6	-72.6	172.3	0	0	0	112.4	P62 E64 R68 R70	P62-L66 WeakPolarHBondContact O-CB 3.43Å; P62-L66 VanDerWaalsContact O-CG 3.27Å; P62-L66 WeakPolarHBondContact O-CG 3.38Å; P62-L66 PolarHBondContact O-N 3.49Å; P62-L66 VanDerWaalsContact O-N 3.14Å; E64-L66 VanDerWaalsContact C-N 3.32Å; E64-L66 PolarHBondContact O-N 3.36Å; L66-R68 VanDerWaalsContact C-N 3.33Å; L66-R70 WeakPolarHBondContact O-CB 3.23Å; L66-R70 PolarHBondContact O-N 3.34Å
67	S	82.8	Confident	79.2	Confident	73 Å²	73	80.7 Å²	80.7	51%	0.51	41%	0.407	S	S	.	.	H	α-helix	trans	-62.7	-41.9	174.2	-66.2	0	0	0	0	111.4	R63 E64 R70 E71	R63-S67 PolarHBondContact O-N 3.04Å; R63-S67 PolarHBondContact O-OG 3.07Å; R63-S67 VanDerWaalsContact O-OG 3.1Å; E64-S67 PolarHBondContact O-N 3.17Å; S67-R70 PolarHBondContact O-N 3Å; S67-E71 WeakPolarHBondContact O-CB 3.45Å; S67-E71 PolarHBondContact O-N 3.5Å
68	R	81.3	Confident	79.9	Confident	142 Å²	142	81.4 Å²	81.4	54%	0.536	39%	0.394	S	S	.	.	H	α-helix	trans	-70	-41.6	-179.9	-166.8	60.7	169.7	175.4	-1.4	112.2	F54 E64 A65 L66 R70 E71 L72	F54-R68 HydrophobicContact CD2-CG 4.35Å; F54-R68 HydrophobicContact CE2-CB 3.98Å; F54-R68 HydrophobicContact CE2-CG 3.76Å; F54-R68 HydrophobicContact CZ-CB 4.35Å; E64-R68 VanDerWaalsContact O-CB 3.32Å; E64-R68 WeakPolarHBondContact O-CB 3.38Å; E64-R68 PolarHBondContact O-N 3.39Å; A65-R68 PolarHBondContact O-N 3.07Å; L66-R68 VanDerWaalsContact C-N 3.33Å; R68-R70 VanDerWaalsContact C-N 3.34Å; R68-E71 PolarHBondContact O-N 2.97Å; R68-L72 WeakPolarHBondContact O-CG 3.4Å; R68-L72 PolarHBondContact O-N 3.1Å
69	L	82.2	Confident	80.6	Confident	57 Å²	57	78.8 Å²	78.8	30%	0.298	38%	0.383	S	S	.	.	H	α-helix	trans	-62.8	-43.3	174	-170.7	70.4	0	0	0	110.9	F51 F54 A65 E71 L72 C73	F51-L69 HydrophobicContact CD2-CD1 3.88Å; F51-L69 HydrophobicContact CE2-CD1 3.42Å; F51-L69 VanDerWaalsContact CE2-CD1 3.42Å; F51-L69 HydrophobicContact CE2-CG 4.2Å; F51-L69 HydrophobicContact CZ-CD1 4.32Å; F54-L69 HydrophobicContact CD1-CD1 3.87Å; F54-L69 HydrophobicContact CE1-CB 4.36Å; F54-L69 HydrophobicContact CE1-CD1 4.24Å; F54-L69 HydrophobicContact CG-CD1 4.49Å; A65-L69 VanDerWaalsContact O-CB 3.29Å; A65-L69 WeakPolarHBondContact O-CB 3.29Å; A65-L69 PolarHBondContact O-N 2.85Å; L69-E71 VanDerWaalsContact C-N 3.32Å; L69-E71 PolarHBondContact O-N 3.46Å; L69-L72 PolarHBondContact O-N 3.33Å; L69-C73 WeakPolarHBondContact O-CB 3.36Å; L69-C73 PolarHBondContact O-N 3.37Å; L69-C73 PolarHBondContact O-SG 3.09Å
70	R	83	Confident	80.8	Confident	196 Å²	196	83.1 Å²	83.1	74%	0.74	40%	0.401	S	S	*	.	H	α-helix	trans	-60.4	-43.2	175.6	-176.6	178.2	177.3	-168.9	-2.7	111.3	L66 S67 R68 C73 W74	L66-R70 WeakPolarHBondContact O-CB 3.23Å; L66-R70 PolarHBondContact O-N 3.34Å; S67-R70 PolarHBondContact O-N 3Å; R68-R70 VanDerWaalsContact C-N 3.34Å; R70-C73 PolarHBondContact O-N 3.14Å; R70-W74 VanDerWaalsContact O-CB 3.28Å; R70-W74 WeakPolarHBondContact O-CB 3.46Å; R70-W74 PolarHBondContact O-N 2.86Å
71	E	85.1	Confident	80.8	Confident	76 Å²	76	80.9 Å²	80.9	36%	0.355	39%	0.387	S	S	.	.	H	α-helix	trans	-63.2	-45.9	177	-172.1	61.4	-152.2	0	0	111.9	S67 R68 L69 C73 W74 Q75	S67-E71 WeakPolarHBondContact O-CB 3.45Å; S67-E71 PolarHBondContact O-N 3.5Å; R68-E71 PolarHBondContact O-N 2.97Å; L69-E71 VanDerWaalsContact C-N 3.32Å; L69-E71 PolarHBondContact O-N 3.46Å; E71-C73 PolarHBondContact O-N 2.94Å; E71-W74 PolarHBondContact O-N 3.31Å; E71-Q75 WeakPolarHBondContact O-CB 3.47Å; E71-Q75 VanDerWaalsContact O-CG 3.31Å; E71-Q75 WeakPolarHBondContact O-CG 3.44Å; E71-Q75 PolarHBondContact O-N 3.41Å; E71-Q75 PolarHBondContact OE1-NE2 3.28Å
72	L	82.5	Confident	80.9	Confident	10 Å²	10	82 Å²	82	5%	0.052	39%	0.387	C	S	.	.	H	α-helix	trans	-63	-42.9	177.2	-71.5	171.7	0	0	0	112	K50 F51 F54 R68 L69 W74 Q75 W76	K50-L72 HydrophobicContact CB-CD2 3.89Å; F51-L72 HydrophobicContact CD2-CB 4.29Å; F54-L72 HydrophobicContact CB-CD1 4.15Å; F54-L72 HydrophobicContact CD2-CD1 3.92Å; F54-L72 HydrophobicContact CG-CD1 4.2Å; R68-L72 WeakPolarHBondContact O-CG 3.4Å; R68-L72 PolarHBondContact O-N 3.1Å; L69-L72 PolarHBondContact O-N 3.33Å; L72-W74 VanDerWaalsContact C-N 3.3Å; L72-W74 PolarHBondContact O-N 3.09Å; L72-Q75 PolarHBondContact O-N 3.31Å; L72-W76 VanDerWaalsContact O-CB 3.28Å; L72-W76 WeakPolarHBondContact O-CB 3.41Å; L72-W76 PolarHBondContact O-N 3.17Å
73	C	82.4	Confident	81.4	Confident	38 Å²	38	80.3 Å²	80.3	26%	0.257	38%	0.377	S	S	.	.	H	α-helix	trans	-60.4	-41.3	173.2	-73.3	0	0	0	0	111.8	F51 L69 R70 E71 L77	F51-C73 WeakPolarHBondContact CE2-SG 3.32Å; L69-C73 WeakPolarHBondContact O-CB 3.36Å; L69-C73 PolarHBondContact O-N 3.37Å; L69-C73 PolarHBondContact O-SG 3.09Å; R70-C73 PolarHBondContact O-N 3.14Å; E71-C73 PolarHBondContact O-N 2.94Å; C73-L77 VanDerWaalsContact O-CB 3.25Å; C73-L77 WeakPolarHBondContact O-CB 3.48Å; C73-L77 WeakPolarHBondContact O-CG 2.82Å; C73-L77 PolarHBondContact O-N 3.14Å
74	W	82.8	Confident	81.6	Confident	109 Å²	109	78.5 Å²	78.5	41%	0.413	38%	0.375	S	S	.	.	H	α-helix	trans	-68.6	-43.4	-178.6	-162	75.9	0	0	0	111.4	R70 E71 L72 W76 R78 E80	R70-W74 VanDerWaalsContact O-CB 3.28Å; R70-W74 WeakPolarHBondContact O-CB 3.46Å; R70-W74 PolarHBondContact O-N 2.86Å; E71-W74 PolarHBondContact O-N 3.31Å; L72-W74 VanDerWaalsContact C-N 3.3Å; L72-W74 PolarHBondContact O-N 3.09Å; W74-W76 PolarHBondContact O-N 3.36Å; W74-R78 VanDerWaalsContact O-CA 3.3Å; W74-R78 WeakPolarHBondContact O-CA 3.23Å; W74-R78 PolarHBondContact O-N 3.07Å; W74-E80 HydrophobicContact CH2-CG 4.41Å; W74-E80 HydrophobicContact CZ2-CG 3.84Å; W74-E80 WeakPolarHBondContact CZ2-OE1 3.22Å; W74-E80 WeakPolarHBondContact CZ2-OE2 3.19Å; W74-E80 PolarHBondContact NE1-OE1 3.3Å
75	Q	82.2	Confident	81.6	Confident	59 Å²	59	80 Å²	80	28%	0.276	38%	0.382	S	S	.	.	H	α-helix	trans	-67.6	-33.3	176	-69.3	177.9	4.4	0	0	113.1	F47 E71 L72 R78	F47-Q75 HydrophobicContact CD1-CB 3.9Å; F47-Q75 HydrophobicContact CD2-CB 4.27Å; F47-Q75 HydrophobicContact CE1-CB 4.18Å; F47-Q75 HydrophobicContact CG-CB 3.98Å; F47-Q75 HydrophobicContact CZ-CB 4.48Å; E71-Q75 WeakPolarHBondContact O-CB 3.47Å; E71-Q75 VanDerWaalsContact O-CG 3.31Å; E71-Q75 WeakPolarHBondContact O-CG 3.44Å; E71-Q75 PolarHBondContact O-N 3.41Å; E71-Q75 PolarHBondContact OE1-NE2 3.28Å; L72-Q75 PolarHBondContact O-N 3.31Å; Q75-R78 WeakPolarHBondContact O-CG 3.43Å
76	W	82.6	Confident	81.4	Confident	4 Å²	4	84.2 Å²	84.2	2%	0.015	40%	0.4	C	S	.	.	H	α-helix	trans	-76.1	-54.1	176	167.1	31.5	0	0	0	112.6	Q44 F47 R48 F51 L72 W74 L91 E94	Q44-W76 PolarHBondContact NE2-O 2.99Å; F47-W76 HydrophobicContact CB-CB 4.2Å; R48-W76 HydrophobicContact CG-CD2 4.06Å; R48-W76 HydrophobicContact CG-CG 3.83Å; R48-W76 HydrophobicContact CG-CZ2 4.37Å; F51-W76 HydrophobicContact CD1-CE3 4.23Å; F51-W76 AromaticContact CD1-CZ3 3.97Å; F51-W76 HydrophobicContact CD1-CZ3 3.97Å; F51-W76 AromaticContact CE1-CZ3 3.99Å; F51-W76 HydrophobicContact CE1-CZ3 3.99Å; F51-W76 HydrophobicContact CG-CE3 4.27Å; F51-W76 HydrophobicContact CG-CZ3 4.45Å; F51-W76 HydrophobicContact CZ-CZ3 4.48Å; L72-W76 VanDerWaalsContact O-CB 3.28Å; L72-W76 WeakPolarHBondContact O-CB 3.41Å; L72-W76 PolarHBondContact O-N 3.17Å; W74-W76 PolarHBondContact O-N 3.36Å; W76-L91 HydrophobicContact CH2-CD2 3.77Å; W76-L91 HydrophobicContact CZ3-CD2 4.09Å; W76-E94 HydrophobicContact CH2-CB 3.75Å; W76-E94 HydrophobicContact CH2-CG 3.75Å; W76-E94 HydrophobicContact CZ2-CB 3.89Å; W76-E94 HydrophobicContact CZ2-CG 4.22Å
77	L	83.1	Confident	81.7	Confident	26 Å²	26	80 Å²	80	14%	0.136	38%	0.378	C	S	.	.	H	α-helix	trans	-81.5	-19.9	-171.8	-60.9	174.9	0	0	0	112.6	C73 H82 I87 L90 L91	C73-L77 VanDerWaalsContact O-CB 3.25Å; C73-L77 WeakPolarHBondContact O-CB 3.48Å; C73-L77 WeakPolarHBondContact O-CG 2.82Å; C73-L77 PolarHBondContact O-N 3.14Å; L77-H82 PolarHBondContact O-ND1 3.39Å; L77-I87 HydrophobicContact CD1-CG2 4.28Å; L77-I87 HydrophobicContact CD2-CG2 4.29Å; L77-L90 HydrophobicContact CD2-CB 4.27Å; L77-L90 HydrophobicContact CD2-CD1 4.48Å; L77-L91 HydrophobicContact CD1-CD2 4.38Å; L77-L91 HydrophobicContact CD2-CD2 4.11Å; L77-L91 HydrophobicContact CD2-CG 4.28Å
78	R	83.2	Confident	81.6	Confident	118 Å²	118	81.6 Å²	81.6	45%	0.445	38%	0.381	S	S	.	.			trans	39.2	62.7	179.6	-57.8	178.3	64.9	-168.3	2.4	112.3	W74 Q75 E80 V81 H82	W74-R78 VanDerWaalsContact O-CA 3.3Å; W74-R78 WeakPolarHBondContact O-CA 3.23Å; W74-R78 PolarHBondContact O-N 3.07Å; Q75-R78 WeakPolarHBondContact O-CG 3.43Å; R78-E80 PolarHBondContact O-N 2.89Å; R78-V81 PolarHBondContact O-N 2.86Å; R78-H82 PolarHBondContact O-N 3.17Å; R78-H82 PolarHBondContact O-ND1 3.09Å
79	P	79.4	Confident	81.6	Confident	60 Å²	60	78.6 Å²	78.6	39%	0.39	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-8.1	-174.1	25.3	-31.3	0	0	0	114.1	V81 I87	P79-V81 VanDerWaalsContact C-N 3.34Å; P79-I87 HydrophobicContact CB-CD1 3.99Å
80	E	80.8	Confident	81.7	Confident	112 Å²	112	76.4 Å²	76.4	52%	0.523	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-26.3	172.4	-59	61.8	-127	0	0	112.1	W74 R78	W74-E80 HydrophobicContact CH2-CG 4.41Å; W74-E80 HydrophobicContact CZ2-CG 3.84Å; W74-E80 WeakPolarHBondContact CZ2-OE1 3.22Å; W74-E80 WeakPolarHBondContact CZ2-OE2 3.19Å; W74-E80 PolarHBondContact NE1-OE1 3.3Å; R78-E80 PolarHBondContact O-N 2.89Å
81	V	74.8	Confident	81.7	Confident	89 Å²	89	70.5 Å²	70.5	54%	0.539	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.9	-36.9	-172.2	-176	0	0	0	0	111.3	R78 P79	R78-V81 PolarHBondContact O-N 2.86Å; P79-V81 VanDerWaalsContact C-N 3.34Å
82	H	82.4	Confident	81.6	Confident	42 Å²	42	70.8 Å²	70.8	19%	0.194	35%	0.35	C	S	.	.	S	Bend	trans	-88.6	138.9	-177.5	-63.2	105.9	0	0	0	112.7	L77 R78 Q86 I87	L77-H82 PolarHBondContact O-ND1 3.39Å; R78-H82 PolarHBondContact O-N 3.17Å; R78-H82 PolarHBondContact O-ND1 3.09Å; H82-Q86 HydrophobicContact CB-CB 4.01Å; H82-I87 HydrophobicContact CB-CD1 4.36Å; H82-I87 HydrophobicContact CB-CG1 3.71Å
83	S	84.1	Confident	81.6	Confident	47 Å²	47	70.3 Å²	70.3	33%	0.329	35%	0.348	S	S	.	.			trans	-67.3	165.7	168.4	90.4	0	0	0	0	111.1	E85 Q86 I87	S83-E85 VanDerWaalsContact CB-OE2 3.31Å; S83-E85 WeakPolarHBondContact CB-OE2 3.33Å; S83-E85 PolarHBondContact O-N 3.11Å; S83-E85 PolarHBondContact OG-N 2.86Å; S83-E85 PolarHBondContact OG-OE2 3.44Å; S83-Q86 PolarHBondContact O-N 3.25Å; S83-Q86 PolarHBondContact OG-N 3.21Å; S83-I87 WeakPolarHBondContact O-CG1 2.96Å; S83-I87 PolarHBondContact O-N 3.43Å
84	K	79.7	Confident	81.7	Confident	167 Å²	167	69.9 Å²	69.9	73%	0.726	34%	0.342	S	S	*	.	H	α-helix	trans	-59.8	-37.9	177.4	-70.8	-179.9	179.8	174.6	0	111.8	I87 L88	K84-I87 PolarHBondContact O-N 2.83Å; K84-L88 VanDerWaalsContact O-CG 3.29Å; K84-L88 WeakPolarHBondContact O-CG 3.46Å; K84-L88 PolarHBondContact O-N 2.83Å; K84-L88 VanDerWaalsContact O-N 3.09Å
85	E	80	Confident	81.6	Confident	127 Å²	127	70.7 Å²	70.7	59%	0.593	35%	0.351	S	S	*	.	H	α-helix	trans	-64.8	-47.3	177.5	-58.4	70.9	-152.2	0	0	110.1	S83 I87 L88 E89	S83-E85 VanDerWaalsContact CB-OE2 3.31Å; S83-E85 WeakPolarHBondContact CB-OE2 3.33Å; S83-E85 PolarHBondContact O-N 3.11Å; S83-E85 PolarHBondContact OG-N 2.86Å; S83-E85 PolarHBondContact OG-OE2 3.44Å; E85-I87 PolarHBondContact O-N 3.46Å; E85-L88 WeakPolarHBondContact O-CB 3.49Å; E85-L88 PolarHBondContact O-N 3Å; E85-L88 VanDerWaalsContact O-N 3.15Å; E85-E89 PolarHBondContact O-N 3.3Å
86	Q	77.4	Confident	81.4	Confident	97 Å²	97	69.3 Å²	69.3	45%	0.453	34%	0.344	S	S	.	.	H	α-helix	trans	-62.1	-41.2	177	-68.8	172.4	-31	0	0	112.2	H82 S83 L88 E89 L90	H82-Q86 HydrophobicContact CB-CB 4.01Å; S83-Q86 PolarHBondContact O-N 3.25Å; S83-Q86 PolarHBondContact OG-N 3.21Å; Q86-L88 VanDerWaalsContact C-N 3.3Å; Q86-L88 PolarHBondContact O-N 3.09Å; Q86-E89 WeakPolarHBondContact O-CB 3.37Å; Q86-E89 PolarHBondContact O-N 3.39Å; Q86-L90 VanDerWaalsContact O-CG 3.3Å; Q86-L90 WeakPolarHBondContact O-CG 3.21Å; Q86-L90 PolarHBondContact O-N 2.89Å
87	I	83.9	Confident	81.2	Confident	32 Å²	32	69.3 Å²	69.3	16%	0.164	34%	0.344	C	S	.	.	H	α-helix	trans	-61.7	-40.1	175.7	-67.4	167.7	0	0	0	111.1	L77 P79 H82 S83 K84 E85 L90 L91	L77-I87 HydrophobicContact CD1-CG2 4.28Å; L77-I87 HydrophobicContact CD2-CG2 4.29Å; P79-I87 HydrophobicContact CB-CD1 3.99Å; H82-I87 HydrophobicContact CB-CD1 4.36Å; H82-I87 HydrophobicContact CB-CG1 3.71Å; S83-I87 WeakPolarHBondContact O-CG1 2.96Å; S83-I87 PolarHBondContact O-N 3.43Å; K84-I87 PolarHBondContact O-N 2.83Å; E85-I87 PolarHBondContact O-N 3.46Å; I87-L90 PolarHBondContact O-N 3.48Å; I87-L91 HydrophobicContact CG2-CD1 4.23Å; I87-L91 WeakPolarHBondContact O-CG 3.4Å; I87-L91 PolarHBondContact O-N 3.03Å; I87-L91 VanDerWaalsContact O-N 3.12Å
88	L	81.6	Confident	80.9	Confident	106 Å²	106	71 Å²	71	56%	0.555	36%	0.362	S	S	*	.	H	α-helix	trans	-64.4	-42	176.2	-70.9	171	0	0	0	111.3	K84 E85 Q86 L90 L91 V92	K84-L88 VanDerWaalsContact O-CG 3.29Å; K84-L88 WeakPolarHBondContact O-CG 3.46Å; K84-L88 PolarHBondContact O-N 2.83Å; K84-L88 VanDerWaalsContact O-N 3.09Å; E85-L88 WeakPolarHBondContact O-CB 3.49Å; E85-L88 PolarHBondContact O-N 3Å; E85-L88 VanDerWaalsContact O-N 3.15Å; Q86-L88 VanDerWaalsContact C-N 3.3Å; Q86-L88 PolarHBondContact O-N 3.09Å; L88-L90 VanDerWaalsContact C-N 3.34Å; L88-L90 PolarHBondContact O-N 3.37Å; L88-L91 PolarHBondContact O-N 3.48Å; L88-V92 WeakPolarHBondContact O-CB 3.42Å; L88-V92 VanDerWaalsContact O-CG2 3.27Å; L88-V92 WeakPolarHBondContact O-CG2 3.46Å; L88-V92 PolarHBondContact O-N 3.36Å
89	E	81.2	Confident	80.7	Confident	79 Å²	79	69.9 Å²	69.9	37%	0.369	36%	0.364	S	S	.	.	H	α-helix	trans	-59.6	-41.2	175	-71.4	-56.9	141.9	0	0	112.6	E85 Q86 L91 V92 L93	E85-E89 PolarHBondContact O-N 3.3Å; Q86-E89 WeakPolarHBondContact O-CB 3.37Å; Q86-E89 PolarHBondContact O-N 3.39Å; E89-L91 VanDerWaalsContact C-N 3.33Å; E89-L91 PolarHBondContact O-N 2.91Å; E89-V92 PolarHBondContact O-N 3.47Å; E89-L93 WeakPolarHBondContact O-CB 3.38Å; E89-L93 PolarHBondContact O-N 3.34Å
90	L	82.7	Confident	80.6	Confident	10 Å²	10	68.2 Å²	68.2	5%	0.052	35%	0.351	C	S	.	.	H	α-helix	trans	-65.7	-36.6	176.8	-58.6	170.8	0	0	0	112	L77 Q86 I87 L88 E94 E114	L77-L90 HydrophobicContact CD2-CB 4.27Å; L77-L90 HydrophobicContact CD2-CD1 4.48Å; Q86-L90 VanDerWaalsContact O-CG 3.3Å; Q86-L90 WeakPolarHBondContact O-CG 3.21Å; Q86-L90 PolarHBondContact O-N 2.89Å; I87-L90 PolarHBondContact O-N 3.48Å; L88-L90 VanDerWaalsContact C-N 3.34Å; L88-L90 PolarHBondContact O-N 3.37Å; L90-E94 PolarHBondContact O-N 2.9Å; L90-E94 VanDerWaalsContact O-N 3.09Å; L90-E114 WeakPolarHBondContact CD2-O 3.09Å
91	L	84.1	Confident	80.4	Confident	73 Å²	73	65.1 Å²	65.1	38%	0.382	34%	0.341	S	S	.	.	H	α-helix	trans	-71.9	-37.3	176.1	-69.2	172.6	0	0	0	112.1	W76 L77 I87 L88 E89 E94 Q95	W76-L91 HydrophobicContact CH2-CD2 3.77Å; W76-L91 HydrophobicContact CZ3-CD2 4.09Å; L77-L91 HydrophobicContact CD1-CD2 4.38Å; L77-L91 HydrophobicContact CD2-CD2 4.11Å; L77-L91 HydrophobicContact CD2-CG 4.28Å; I87-L91 HydrophobicContact CG2-CD1 4.23Å; I87-L91 WeakPolarHBondContact O-CG 3.4Å; I87-L91 PolarHBondContact O-N 3.03Å; I87-L91 VanDerWaalsContact O-N 3.12Å; L88-L91 PolarHBondContact O-N 3.48Å; E89-L91 VanDerWaalsContact C-N 3.33Å; E89-L91 PolarHBondContact O-N 2.91Å; L91-E94 PolarHBondContact O-N 3.17Å; L91-Q95 PolarHBondContact O-N 3.48Å
92	V	82.5	Confident	80.1	Confident	81 Å²	81	68.5 Å²	68.5	49%	0.491	35%	0.351	S	S	.	.	H	α-helix	trans	-65.6	-45.3	174.9	169.1	0	0	0	0	110.1	L88 E89 E94 Q95 F96	L88-V92 WeakPolarHBondContact O-CB 3.42Å; L88-V92 VanDerWaalsContact O-CG2 3.27Å; L88-V92 WeakPolarHBondContact O-CG2 3.46Å; L88-V92 PolarHBondContact O-N 3.36Å; E89-V92 PolarHBondContact O-N 3.47Å; V92-E94 VanDerWaalsContact C-N 3.29Å; V92-E94 PolarHBondContact O-N 2.89Å; V92-Q95 PolarHBondContact O-N 3.02Å; V92-F96 WeakPolarHBondContact O-CB 3.23Å; V92-F96 PolarHBondContact O-N 2.95Å
93	L	83.1	Confident	79.5	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-57.5	-42.7	173.8	175.6	59	0	0	0	111.4	E89 Q95 F96 L97 P113 A119	E89-L93 WeakPolarHBondContact O-CB 3.38Å; E89-L93 PolarHBondContact O-N 3.34Å; L93-Q95 PolarHBondContact O-N 3.35Å; L93-F96 WeakPolarHBondContact O-CB 3.33Å; L93-F96 PolarHBondContact O-N 2.85Å; L93-L97 HydrophobicContact CD1-CD1 4.11Å; L93-L97 HydrophobicContact CD1-CD2 4.47Å; L93-L97 HydrophobicContact CD1-CG 4.03Å; L93-L97 HydrophobicContact CG-CD1 4.16Å; L93-L97 HydrophobicContact CG-CG 4.48Å; L93-L97 VanDerWaalsContact O-CG 3.29Å; L93-L97 WeakPolarHBondContact O-CG 3.32Å; L93-L97 PolarHBondContact O-N 3.4Å; L93-P113 HydrophobicContact CD1-CB 4.31Å; L93-P113 HydrophobicContact CD1-CG 3.95Å; L93-P113 HydrophobicContact CD2-CB 4.47Å; L93-P113 HydrophobicContact CD2-CG 4.43Å; L93-P113 VanDerWaalsContact CD2-O 3.26Å; L93-P113 WeakPolarHBondContact CD2-O 3.24Å; L93-A119 HydrophobicContact CD1-CB 3.72Å
94	E	83.4	Confident	79	Confident	29 Å²	29	71.5 Å²	71.5	14%	0.136	36%	0.36	C	S	.	.	H	α-helix	trans	-62.7	-43.4	177.1	-175.4	57.5	-148	0	0	112.3	R52 W76 L90 L91 V92 F96 L97 A98	R52-E94 IonicContact CZ-OE1 3.3Å; R52-E94 VanDerWaalsContact CZ-OE1 3.23Å; R52-E94 IonicContact CZ-OE2 3.55Å; R52-E94 VanDerWaalsContact CZ-OE2 3.3Å; R52-E94 IonicContact NE-OE1 3.43Å; R52-E94 PolarHBondContact NE-OE1 3.36Å; R52-E94 IonicContact NE-OE2 3.98Å; R52-E94 PolarHBondContact NE-OE2 3.02Å; R52-E94 IonicContact NH2-OE1 3.85Å; R52-E94 PolarHBondContact NH2-OE1 2.87Å; R52-E94 IonicContact NH2-OE2 2.66Å; R52-E94 PolarHBondContact NH2-OE2 3.33Å; W76-E94 HydrophobicContact CH2-CB 3.75Å; W76-E94 HydrophobicContact CH2-CG 3.75Å; W76-E94 HydrophobicContact CZ2-CB 3.89Å; W76-E94 HydrophobicContact CZ2-CG 4.22Å; L90-E94 PolarHBondContact O-N 2.9Å; L90-E94 VanDerWaalsContact O-N 3.09Å; L91-E94 PolarHBondContact O-N 3.17Å; V92-E94 VanDerWaalsContact C-N 3.29Å; V92-E94 PolarHBondContact O-N 2.89Å; E94-F96 VanDerWaalsContact C-N 3.31Å; E94-F96 PolarHBondContact O-N 3.31Å; E94-L97 PolarHBondContact O-N 3.13Å; E94-A98 PolarHBondContact O-N 2.78Å; E94-A98 VanDerWaalsContact O-N 3.13Å
95	Q	81.4	Confident	78.6	Confident	127 Å²	127	65.1 Å²	65.1	59%	0.593	33%	0.333	S	S	*	.	H	α-helix	trans	-66.5	-35.2	176.6	-175.4	57	79.8	0	0	112.1	L91 V92 L93 A98	L91-Q95 PolarHBondContact O-N 3.48Å; V92-Q95 PolarHBondContact O-N 3.02Å; L93-Q95 PolarHBondContact O-N 3.35Å; Q95-A98 PolarHBondContact O-N 2.85Å
96	F	77.9	Confident	78.3	Confident	29 Å²	29	61.8 Å²	61.8	13%	0.127	33%	0.327	C	S	.	.	H	α-helix	trans	-65.9	-47	175.2	-177.2	-99.1	0	0	0	111.3	V92 L93 E94 A98 I99 L100 A119 V120 L123	V92-F96 WeakPolarHBondContact O-CB 3.23Å; V92-F96 PolarHBondContact O-N 2.95Å; L93-F96 WeakPolarHBondContact O-CB 3.33Å; L93-F96 PolarHBondContact O-N 2.85Å; E94-F96 VanDerWaalsContact C-N 3.31Å; E94-F96 PolarHBondContact O-N 3.31Å; F96-A98 PolarHBondContact O-N 2.83Å; F96-I99 HydrophobicContact CD2-CD1 4.47Å; F96-I99 WeakPolarHBondContact O-CG1 3.42Å; F96-I99 PolarHBondContact O-N 2.85Å; F96-L100 HydrophobicContact CD1-CD1 4.23Å; F96-L100 HydrophobicContact CE1-CD1 3.92Å; F96-L100 HydrophobicContact CE1-CD2 4.27Å; F96-L100 HydrophobicContact CE1-CG 4.34Å; F96-L100 HydrophobicContact CZ-CD2 4.23Å; F96-A119 HydrophobicContact CD1-CB 4.04Å; F96-A119 HydrophobicContact CE1-CB 3.87Å; F96-V120 HydrophobicContact CE1-CG2 4.42Å; F96-V120 HydrophobicContact CE2-CG2 3.96Å; F96-V120 HydrophobicContact CZ-CG2 3.76Å; F96-L123 HydrophobicContact CE1-CD1 3.67Å; F96-L123 HydrophobicContact CZ-CD1 3.66Å
97	L	78.5	Confident	78.2	Confident	4 Å²	4	59.1 Å²	59.1	2%	0.021	31%	0.313	C	S	.	.	H	α-helix	trans	-64.5	-26.6	177	-66.8	174.3	0	0	0	113	L93 E94 I99 L100 Q105 V108	L93-L97 HydrophobicContact CD1-CD1 4.11Å; L93-L97 HydrophobicContact CD1-CD2 4.47Å; L93-L97 HydrophobicContact CD1-CG 4.03Å; L93-L97 HydrophobicContact CG-CD1 4.16Å; L93-L97 HydrophobicContact CG-CG 4.48Å; L93-L97 VanDerWaalsContact O-CG 3.29Å; L93-L97 WeakPolarHBondContact O-CG 3.32Å; L93-L97 PolarHBondContact O-N 3.4Å; E94-L97 PolarHBondContact O-N 3.13Å; L97-I99 VanDerWaalsContact C-N 3.33Å; L97-L100 HydrophobicContact CD2-CD1 4.08Å; L97-Q105 PolarHBondContact O-NE2 3.46Å; L97-V108 HydrophobicContact CD2-CB 4.07Å; L97-V108 HydrophobicContact CD2-CG1 3.42Å; L97-V108 VanDerWaalsContact CD2-CG1 3.42Å
98	A	77.3	Confident	77.7	Confident	62 Å²	62	57.6 Å²	57.6	51%	0.512	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-18.7	178.5	0	0	0	0	0	114	E94 Q95 F96	E94-A98 PolarHBondContact O-N 2.78Å; E94-A98 VanDerWaalsContact O-N 3.13Å; Q95-A98 PolarHBondContact O-N 2.85Å; F96-A98 PolarHBondContact O-N 2.83Å
99	I	78.9	Confident	77.2	Confident	95 Å²	95	56.7 Å²	56.7	49%	0.487	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99	-10.7	-179.9	60.2	166.1	0	0	0	113.3	F96 L97	F96-I99 HydrophobicContact CD2-CD1 4.47Å; F96-I99 WeakPolarHBondContact O-CG1 3.42Å; F96-I99 PolarHBondContact O-N 2.85Å; L97-I99 VanDerWaalsContact C-N 3.33Å
100	L	76.9	Confident	76.8	Confident	24 Å²	24	59.6 Å²	59.6	13%	0.126	31%	0.308	C	S	.	.	S	Bend	trans	-72.8	144.6	177.7	-67.6	175.8	0	0	0	111.5	F96 L97 L104 Q105 V108 L123	F96-L100 HydrophobicContact CD1-CD1 4.23Å; F96-L100 HydrophobicContact CE1-CD1 3.92Å; F96-L100 HydrophobicContact CE1-CD2 4.27Å; F96-L100 HydrophobicContact CE1-CG 4.34Å; F96-L100 HydrophobicContact CZ-CD2 4.23Å; L97-L100 HydrophobicContact CD2-CD1 4.08Å; L100-L104 HydrophobicContact CB-CB 4.49Å; L100-Q105 HydrophobicContact CB-CB 4.44Å; L100-V108 HydrophobicContact CD1-CG2 4.04Å; L100-L123 HydrophobicContact CD1-CD1 4.05Å; L100-L123 HydrophobicContact CD2-CD1 3.91Å
101	P	76.1	Confident	76.3	Confident	48 Å²	48	63.5 Å²	63.5	31%	0.312	33%	0.326	S	S	.	.			trans	-52.7	149.3	167.1	-24.7	33.7	0	0	0	112.1	E103 L104 Q105	P101-E103 WeakPolarHBondContact CB-OE2 3.45Å; P101-E103 PolarHBondContact O-N 3.02Å; P101-E103 VanDerWaalsContact O-N 3.13Å; P101-L104 HydrophobicContact CG-CD1 4.45Å; P101-L104 PolarHBondContact O-N 3.37Å; P101-L104 VanDerWaalsContact O-N 3.12Å; P101-Q105 WeakPolarHBondContact O-CB 3.37Å; P101-Q105 PolarHBondContact O-N 3.27Å
102	E	68.3	Low	75.8	Confident	159 Å²	159	63.9 Å²	63.9	74%	0.743	32%	0.322	S	S	*	.	H	α-helix	trans	-56.7	-33.5	-173.8	-71.1	-174.5	175.5	0	0	112.8	Q105 A106	E102-Q105 PolarHBondContact O-N 3.27Å; E102-A106 PolarHBondContact O-N 3.22Å
103	E	70.8	Confident	75.5	Confident	123 Å²	123	60.5 Å²	60.5	58%	0.575	30%	0.302	S	S	*	.	H	α-helix	trans	-68	-45	179.5	-56.3	81.4	-177.9	0	0	111.9	P101 W107	P101-E103 WeakPolarHBondContact CB-OE2 3.45Å; P101-E103 PolarHBondContact O-N 3.02Å; P101-E103 VanDerWaalsContact O-N 3.13Å; E103-W107 PolarHBondContact O-N 3.04Å
104	L	73.1	Confident	74.9	Confident	29 Å²	29	66.6 Å²	66.6	15%	0.152	33%	0.331	C	S	.	.	H	α-helix	trans	-74.5	-32.7	176.8	-67.3	179.7	0	0	0	111.2	L100 P101 A106 W107 V108 L123 L126 I198	L100-L104 HydrophobicContact CB-CB 4.49Å; P101-L104 HydrophobicContact CG-CD1 4.45Å; P101-L104 PolarHBondContact O-N 3.37Å; P101-L104 VanDerWaalsContact O-N 3.12Å; L104-A106 VanDerWaalsContact C-N 3.3Å; L104-A106 PolarHBondContact O-N 2.89Å; L104-W107 PolarHBondContact O-N 3.34Å; L104-V108 WeakPolarHBondContact O-CB 3.33Å; L104-V108 VanDerWaalsContact O-CG2 3.24Å; L104-V108 WeakPolarHBondContact O-CG2 3.36Å; L104-V108 PolarHBondContact O-N 3.16Å; L104-L123 HydrophobicContact CB-CD2 4.42Å; L104-L123 HydrophobicContact CD1-CD2 4.39Å; L104-L123 HydrophobicContact CD2-CD2 4.16Å; L104-L126 HydrophobicContact CD2-CD2 3.88Å; L104-I198 HydrophobicContact CD1-CD1 3.85Å
105	Q	72.5	Confident	74.5	Confident	33 Å²	33	67.6 Å²	67.6	15%	0.154	34%	0.337	C	S	.	.	H	α-helix	trans	-62.3	-40.2	175.4	-164.8	-174.5	60.2	0	0	111.2	L97 L100 P101 E102 R109	L97-Q105 PolarHBondContact O-NE2 3.46Å; L100-Q105 HydrophobicContact CB-CB 4.44Å; P101-Q105 WeakPolarHBondContact O-CB 3.37Å; P101-Q105 PolarHBondContact O-N 3.27Å; E102-Q105 PolarHBondContact O-N 3.27Å; Q105-R109 VanDerWaalsContact O-CB 3.23Å; Q105-R109 WeakPolarHBondContact O-CB 3.45Å; Q105-R109 VanDerWaalsContact O-CD 3.29Å; Q105-R109 WeakPolarHBondContact O-CD 3.4Å; Q105-R109 WeakPolarHBondContact O-CG 3.49Å; Q105-R109 PolarHBondContact O-N 3.47Å; Q105-R109 VanDerWaalsContact OE1-CZ 3.23Å
106	A	73.3	Confident	74	Confident	57 Å²	57	62 Å²	62	47%	0.471	31%	0.314	S	S	.	.	H	α-helix	trans	-64.3	-45.7	174.5	0	0	0	0	0	112	E102 L104 R109 E110	E102-A106 PolarHBondContact O-N 3.22Å; L104-A106 VanDerWaalsContact C-N 3.3Å; L104-A106 PolarHBondContact O-N 2.89Å; A106-R109 WeakPolarHBondContact O-CB 3.48Å; A106-R109 PolarHBondContact O-N 3.5Å; A106-E110 PolarHBondContact O-N 3.36Å; A106-E110 VanDerWaalsContact O-N 3.08Å
107	W	75.1	Confident	73.8	Confident	41 Å²	41	67.2 Å²	67.2	16%	0.155	34%	0.338	C	S	.	.	H	α-helix	trans	-65.3	-46.1	179.5	-174.9	90.5	0	0	0	112.7	E103 L104 R109 E110 H111 M122 L123 L126	E103-W107 PolarHBondContact O-N 3.04Å; L104-W107 PolarHBondContact O-N 3.34Å; W107-R109 VanDerWaalsContact C-N 3.28Å; W107-R109 PolarHBondContact O-N 2.97Å; W107-E110 WeakPolarHBondContact O-CB 3.36Å; W107-E110 PolarHBondContact O-N 2.84Å; W107-E110 VanDerWaalsContact O-N 3.09Å; W107-H111 AromaticContact CD1-CE1 3.87Å; W107-H111 AromaticContact CD2-CE1 3.96Å; W107-H111 AromaticContact CD2-ND1 3.77Å; W107-H111 AromaticContact CE2-CE1 3.39Å; W107-H111 AromaticContact CE2-ND1 3.62Å; W107-H111 AromaticContact CZ2-CE1 3.71Å; W107-H111 AromaticContact CZ2-ND1 3.94Å; W107-H111 AromaticContact CZ2-NE2 3.9Å; W107-H111 AromaticContact NE1-CE1 3.34Å; W107-H111 PolarHBondContact NE1-CE1 3.29Å; W107-H111 VanDerWaalsContact NE1-CE1 3.34Å; W107-H111 AromaticContact NE1-ND1 3.92Å; W107-H111 PolarHBondContact O-N 2.6Å; W107-H111 PolarHBondContact O-ND1 3.08Å; W107-M122 HydrophobicContact CH2-CB 3.92Å; W107-M122 WeakPolarHBondContact CH2-O 3.44Å; W107-M122 HydrophobicContact CZ3-CB 3.85Å; W107-L123 HydrophobicContact CE3-CD2 4.42Å; W107-L123 HydrophobicContact CZ3-CD2 4.41Å; W107-L126 HydrophobicContact CD2-CD2 3.91Å; W107-L126 HydrophobicContact CE3-CD2 4Å; W107-L126 HydrophobicContact CG-CD2 4.43Å; W107-L126 HydrophobicContact CH2-CB 3.96Å; W107-L126 HydrophobicContact CH2-CD2 4.36Å; W107-L126 HydrophobicContact CZ2-CB 4.14Å; W107-L126 HydrophobicContact CZ2-CD1 3.98Å; W107-L126 HydrophobicContact CZ2-CD2 4.26Å; W107-L126 HydrophobicContact CZ2-CG 4.36Å; W107-L126 HydrophobicContact CZ3-CB 4.38Å; W107-L126 HydrophobicContact CZ3-CD2 4.23Å
108	V	72.5	Confident	73.8	Confident	0 Å²	0	70.4 Å²	70.4	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-65.9	-33.4	177.3	179.3	0	0	0	0	110.9	L97 L100 L104 E110 H111 R112 P113 A119 L123	L97-V108 HydrophobicContact CD2-CB 4.07Å; L97-V108 HydrophobicContact CD2-CG1 3.42Å; L97-V108 VanDerWaalsContact CD2-CG1 3.42Å; L100-V108 HydrophobicContact CD1-CG2 4.04Å; L104-V108 WeakPolarHBondContact O-CB 3.33Å; L104-V108 VanDerWaalsContact O-CG2 3.24Å; L104-V108 WeakPolarHBondContact O-CG2 3.36Å; L104-V108 PolarHBondContact O-N 3.16Å; V108-E110 VanDerWaalsContact C-N 3.3Å; V108-E110 PolarHBondContact O-N 3.35Å; V108-H111 PolarHBondContact O-N 3.11Å; V108-R112 PolarHBondContact O-N 3.19Å; V108-P113 HydrophobicContact CG1-CG 3.62Å; V108-P113 VanDerWaalsContact O-CD 3.22Å; V108-P113 WeakPolarHBondContact O-CD 3.17Å; V108-A119 HydrophobicContact CG1-CB 4.38Å; V108-L123 HydrophobicContact CG2-CD1 4.22Å; V108-L123 HydrophobicContact CG2-CD2 3.62Å; V108-L123 HydrophobicContact CG2-CG 3.9Å
109	R	71.1	Confident	73.8	Confident	87 Å²	87	67.5 Å²	67.5	33%	0.328	33%	0.329	S	S	.	.	H	α-helix	trans	-66.4	-30.1	173	-78.7	170.4	-178.7	167.2	4.5	113	Q105 A106 W107 R112	Q105-R109 VanDerWaalsContact O-CB 3.23Å; Q105-R109 WeakPolarHBondContact O-CB 3.45Å; Q105-R109 VanDerWaalsContact O-CD 3.29Å; Q105-R109 WeakPolarHBondContact O-CD 3.4Å; Q105-R109 WeakPolarHBondContact O-CG 3.49Å; Q105-R109 PolarHBondContact O-N 3.47Å; Q105-R109 VanDerWaalsContact OE1-CZ 3.23Å; A106-R109 WeakPolarHBondContact O-CB 3.48Å; A106-R109 PolarHBondContact O-N 3.5Å; W107-R109 VanDerWaalsContact C-N 3.28Å; W107-R109 PolarHBondContact O-N 2.97Å; R109-R112 VanDerWaalsContact O-CG 3.32Å; R109-R112 WeakPolarHBondContact O-CG 3.3Å
110	E	73.6	Confident	73.7	Confident	141 Å²	141	64.2 Å²	64.2	66%	0.659	31%	0.313	S	S	*	.	H	α-helix	trans	-70.2	-37.1	175.5	-170.8	169.6	-167.9	0	0	111.6	A106 W107 V108	A106-E110 PolarHBondContact O-N 3.36Å; A106-E110 VanDerWaalsContact O-N 3.08Å; W107-E110 WeakPolarHBondContact O-CB 3.36Å; W107-E110 PolarHBondContact O-N 2.84Å; W107-E110 VanDerWaalsContact O-N 3.09Å; V108-E110 VanDerWaalsContact C-N 3.3Å; V108-E110 PolarHBondContact O-N 3.35Å
111	H	72.7	Confident	73.9	Confident	92 Å²	92	67.8 Å²	67.8	43%	0.426	33%	0.331	S	S	.	.	H	α-helix	trans	-89.7	-12.2	-176.8	-64.3	75.3	0	0	0	114.4	W107 V108 M122	W107-H111 AromaticContact CD1-CE1 3.87Å; W107-H111 AromaticContact CD2-CE1 3.96Å; W107-H111 AromaticContact CD2-ND1 3.77Å; W107-H111 AromaticContact CE2-CE1 3.39Å; W107-H111 AromaticContact CE2-ND1 3.62Å; W107-H111 AromaticContact CZ2-CE1 3.71Å; W107-H111 AromaticContact CZ2-ND1 3.94Å; W107-H111 AromaticContact CZ2-NE2 3.9Å; W107-H111 AromaticContact NE1-CE1 3.34Å; W107-H111 PolarHBondContact NE1-CE1 3.29Å; W107-H111 VanDerWaalsContact NE1-CE1 3.34Å; W107-H111 AromaticContact NE1-ND1 3.92Å; W107-H111 PolarHBondContact O-N 2.6Å; W107-H111 PolarHBondContact O-ND1 3.08Å; V108-H111 PolarHBondContact O-N 3.11Å; H111-M122 HydrophobicContact CB-CE 4.25Å; H111-M122 HydrophobicContact CB-SD 3.55Å; H111-M122 VanDerWaalsContact CB-SD 3.55Å
112	R	73.1	Confident	73.9	Confident	80 Å²	80	66.8 Å²	66.8	30%	0.302	32%	0.323	S	S	.	.			trans	52.8	65.9	167.5	-60.6	-171.6	-178.4	165.4	4.4	115.7	W42 V108 R109	W42-R112 VanDerWaalsContact CG-NH1 3.33Å; V108-R112 PolarHBondContact O-N 3.19Å; R109-R112 VanDerWaalsContact O-CG 3.32Å; R109-R112 WeakPolarHBondContact O-CG 3.3Å
113	P	75.9	Confident	74.4	Confident	10 Å²	10	60.4 Å²	60.4	7%	0.065	29%	0.294	C	S	.	.			trans	-60.5	139.7	173.3	23.2	-30.3	0	0	0	112.1	L93 V108 E118 A119 M122	L93-P113 HydrophobicContact CD1-CB 4.31Å; L93-P113 HydrophobicContact CD1-CG 3.95Å; L93-P113 HydrophobicContact CD2-CB 4.47Å; L93-P113 HydrophobicContact CD2-CG 4.43Å; L93-P113 VanDerWaalsContact CD2-O 3.26Å; L93-P113 WeakPolarHBondContact CD2-O 3.24Å; V108-P113 HydrophobicContact CG1-CG 3.62Å; V108-P113 VanDerWaalsContact O-CD 3.22Å; V108-P113 WeakPolarHBondContact O-CD 3.17Å; P113-E118 HydrophobicContact CB-CB 4.18Å; P113-E118 HydrophobicContact CB-CG 4.32Å; P113-A119 HydrophobicContact CB-CB 3.74Å; P113-A119 HydrophobicContact CG-CB 3.69Å; P113-M122 HydrophobicContact CB-CE 3.44Å; P113-M122 VanDerWaalsContact CB-CE 3.44Å; P113-M122 HydrophobicContact CG-CE 3.77Å
114	E	70.4	Confident	74.8	Confident	128 Å²	128	58 Å²	58	60%	0.598	28%	0.282	S	S	*	.	S	Bend	trans	-81.1	-29.5	175.7	-61.8	-168.7	163.2	0	0	111.7	L90 E118	L90-E114 WeakPolarHBondContact CD2-O 3.09Å; E114-E118 WeakPolarHBondContact CB-OE2 3.44Å; E114-E118 PolarHBondContact N-OE2 3.09Å
115	N	74.8	Confident	75.1	Confident	50 Å²	50	62.1 Å²	62.1	27%	0.267	30%	0.301	S	S	.	.	S	Bend	trans	-142.8	172.2	179.7	61.1	58.4	0	0	0	112.7	E117 E118 A119	N115-E117 VanDerWaalsContact C-N 3.33Å; N115-E117 PolarHBondContact O-N 3.19Å; N115-E117 WeakPolarHBondContact OD1-CB 3.44Å; N115-E117 PolarHBondContact OD1-N 3.36Å; N115-E117 VanDerWaalsContact OD1-N 3.15Å; N115-E118 PolarHBondContact O-N 3.16Å; N115-E118 WeakPolarHBondContact OD1-CB 3.45Å; N115-E118 PolarHBondContact OD1-N 2.75Å; N115-A119 PolarHBondContact O-N 3.32Å
116	G	71.3	Confident	75.2	Confident	10 Å²	10	61.5 Å²	61.5	10%	0.103	30%	0.299	C	S	.	.	H	α-helix	trans	-64.2	-35.1	-177.9	0	0	0	0	0	113.5	A119 V120	G116-A119 PolarHBondContact O-N 3.28Å; G116-V120 WeakPolarHBondContact O-CG2 3.41Å; G116-V120 PolarHBondContact O-N 3.46Å; G116-V120 VanDerWaalsContact O-N 3.11Å
117	E	74.7	Confident	75.2	Confident	138 Å²	138	62.4 Å²	62.4	65%	0.645	29%	0.293	S	S	*	.	H	α-helix	trans	-65.3	-44.1	179.6	-60.5	-177.9	166.6	0	0	111.4	N115 A119 V120 I121	N115-E117 VanDerWaalsContact C-N 3.33Å; N115-E117 PolarHBondContact O-N 3.19Å; N115-E117 WeakPolarHBondContact OD1-CB 3.44Å; N115-E117 PolarHBondContact OD1-N 3.36Å; N115-E117 VanDerWaalsContact OD1-N 3.15Å; E117-A119 VanDerWaalsContact C-N 3.33Å; E117-A119 PolarHBondContact O-N 2.78Å; E117-V120 PolarHBondContact O-N 2.98Å; E117-I121 WeakPolarHBondContact O-CG1 3.33Å; E117-I121 PolarHBondContact O-N 2.92Å
118	E	77.9	Confident	75.1	Confident	72 Å²	72	67.1 Å²	67.1	34%	0.336	32%	0.315	S	S	.	.	H	α-helix	trans	-63.9	-39	177.1	-169.9	176.5	-163.1	0	0	111.7	P113 E114 N115 V120 I121 M122	P113-E118 HydrophobicContact CB-CB 4.18Å; P113-E118 HydrophobicContact CB-CG 4.32Å; E114-E118 WeakPolarHBondContact CB-OE2 3.44Å; E114-E118 PolarHBondContact N-OE2 3.09Å; N115-E118 PolarHBondContact O-N 3.16Å; N115-E118 WeakPolarHBondContact OD1-CB 3.45Å; N115-E118 PolarHBondContact OD1-N 2.75Å; E118-V120 VanDerWaalsContact C-N 3.3Å; E118-V120 PolarHBondContact O-N 3.27Å; E118-I121 PolarHBondContact O-N 3.29Å; E118-M122 HydrophobicContact CG-CE 4.22Å; E118-M122 WeakPolarHBondContact O-CG 3.48Å; E118-M122 PolarHBondContact O-N 3.17Å
119	A	77.8	Confident	75	Confident	0 Å²	0	73.8 Å²	73.8	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-61.9	-39.2	174.9	0	0	0	0	0	112.2	L93 F96 V108 P113 N115 G116 E117 L123	L93-A119 HydrophobicContact CD1-CB 3.72Å; F96-A119 HydrophobicContact CD1-CB 4.04Å; F96-A119 HydrophobicContact CE1-CB 3.87Å; V108-A119 HydrophobicContact CG1-CB 4.38Å; P113-A119 HydrophobicContact CB-CB 3.74Å; P113-A119 HydrophobicContact CG-CB 3.69Å; N115-A119 PolarHBondContact O-N 3.32Å; G116-A119 PolarHBondContact O-N 3.28Å; E117-A119 VanDerWaalsContact C-N 3.33Å; E117-A119 PolarHBondContact O-N 2.78Å; A119-L123 WeakPolarHBondContact O-CG 3.27Å; A119-L123 PolarHBondContact O-N 3.38Å
120	V	76.9	Confident	74.4	Confident	26 Å²	26	73.8 Å²	73.8	16%	0.158	35%	0.352	C	S	.	.	H	α-helix	trans	-68.9	-45.8	176.8	172.4	0	0	0	0	110.8	F96 G116 E117 E118 M122 L123 E124	F96-V120 HydrophobicContact CE1-CG2 4.42Å; F96-V120 HydrophobicContact CE2-CG2 3.96Å; F96-V120 HydrophobicContact CZ-CG2 3.76Å; G116-V120 WeakPolarHBondContact O-CG2 3.41Å; G116-V120 PolarHBondContact O-N 3.46Å; G116-V120 VanDerWaalsContact O-N 3.11Å; E117-V120 PolarHBondContact O-N 2.98Å; E118-V120 VanDerWaalsContact C-N 3.3Å; E118-V120 PolarHBondContact O-N 3.27Å; V120-M122 VanDerWaalsContact C-N 3.3Å; V120-M122 PolarHBondContact O-N 3.5Å; V120-L123 PolarHBondContact O-N 3.1Å; V120-L123 VanDerWaalsContact O-N 3.13Å; V120-E124 HydrophobicContact CG1-CG 4.21Å; V120-E124 WeakPolarHBondContact O-CG 3.46Å; V120-E124 PolarHBondContact O-N 3.33Å
121	I	79.7	Confident	73.6	Confident	99 Å²	99	72.5 Å²	72.5	51%	0.508	35%	0.346	S	S	.	.	H	α-helix	trans	-58.1	-43.8	178.5	-68.9	165.2	0	0	0	111	E117 E118 L123 E124 E125	E117-I121 WeakPolarHBondContact O-CG1 3.33Å; E117-I121 PolarHBondContact O-N 2.92Å; E118-I121 PolarHBondContact O-N 3.29Å; I121-L123 PolarHBondContact O-N 3.03Å; I121-E124 PolarHBondContact O-N 2.76Å; I121-E125 WeakPolarHBondContact O-CB 3.27Å; I121-E125 PolarHBondContact O-N 2.96Å
122	M	77.6	Confident	72.4	Confident	27 Å²	27	75.2 Å²	75.2	13%	0.133	36%	0.359	C	S	.	.	H	α-helix	trans	-65.1	-38.4	177.7	-72.8	-171	-67.8	0	0	112.7	W107 H111 P113 E118 V120 E125 L126	W107-M122 HydrophobicContact CH2-CB 3.92Å; W107-M122 WeakPolarHBondContact CH2-O 3.44Å; W107-M122 HydrophobicContact CZ3-CB 3.85Å; H111-M122 HydrophobicContact CB-CE 4.25Å; H111-M122 HydrophobicContact CB-SD 3.55Å; H111-M122 VanDerWaalsContact CB-SD 3.55Å; P113-M122 HydrophobicContact CB-CE 3.44Å; P113-M122 VanDerWaalsContact CB-CE 3.44Å; P113-M122 HydrophobicContact CG-CE 3.77Å; E118-M122 HydrophobicContact CG-CE 4.22Å; E118-M122 WeakPolarHBondContact O-CG 3.48Å; E118-M122 PolarHBondContact O-N 3.17Å; V120-M122 VanDerWaalsContact C-N 3.3Å; V120-M122 PolarHBondContact O-N 3.5Å; M122-E125 PolarHBondContact O-N 2.84Å; M122-L126 WeakPolarHBondContact O-CB 3.25Å; M122-L126 PolarHBondContact O-N 3.15Å
123	L	77.3	Confident	70.9	Confident	26 Å²	26	77.1 Å²	77.1	14%	0.136	38%	0.382	C	S	.	.	H	α-helix	trans	-69.5	-37.5	175.7	-73.5	170.6	0	0	0	112.2	F96 L100 L104 W107 V108 A119 V120 I121 E125 L126 E127	F96-L123 HydrophobicContact CE1-CD1 3.67Å; F96-L123 HydrophobicContact CZ-CD1 3.66Å; L100-L123 HydrophobicContact CD1-CD1 4.05Å; L100-L123 HydrophobicContact CD2-CD1 3.91Å; L104-L123 HydrophobicContact CB-CD2 4.42Å; L104-L123 HydrophobicContact CD1-CD2 4.39Å; L104-L123 HydrophobicContact CD2-CD2 4.16Å; W107-L123 HydrophobicContact CE3-CD2 4.42Å; W107-L123 HydrophobicContact CZ3-CD2 4.41Å; V108-L123 HydrophobicContact CG2-CD1 4.22Å; V108-L123 HydrophobicContact CG2-CD2 3.62Å; V108-L123 HydrophobicContact CG2-CG 3.9Å; A119-L123 WeakPolarHBondContact O-CG 3.27Å; A119-L123 PolarHBondContact O-N 3.38Å; V120-L123 PolarHBondContact O-N 3.1Å; V120-L123 VanDerWaalsContact O-N 3.13Å; I121-L123 PolarHBondContact O-N 3.03Å; L123-E125 VanDerWaalsContact C-N 3.34Å; L123-L126 PolarHBondContact O-N 3.21Å; L123-E127 WeakPolarHBondContact O-CB 3.26Å; L123-E127 PolarHBondContact O-N 3.49Å
124	E	79.7	Confident	69.1	Low	71 Å²	71	88 Å²	88	33%	0.332	42%	0.421	S	S	.	.	H	α-helix	trans	-67.7	-33.6	173.8	-72.6	-178.5	177.1	0	0	112.1	V120 I121 K128	V120-E124 HydrophobicContact CG1-CG 4.21Å; V120-E124 WeakPolarHBondContact O-CG 3.46Å; V120-E124 PolarHBondContact O-N 3.33Å; I121-E124 PolarHBondContact O-N 2.76Å; E124-K128 WeakPolarHBondContact O-CG 3.49Å; E124-K128 PolarHBondContact O-N 3.28Å
125	E	79.8	Confident	67.9	Low	117 Å²	117	90.5 Å²	90.5	55%	0.547	43%	0.433	S	S	.	.	H	α-helix	trans	-69.8	-44.3	174.3	-171	162.1	-149.8	0	0	111.1	I121 M122 L123 E127 K128 E129	I121-E125 WeakPolarHBondContact O-CB 3.27Å; I121-E125 PolarHBondContact O-N 2.96Å; M122-E125 PolarHBondContact O-N 2.84Å; L123-E125 VanDerWaalsContact C-N 3.34Å; E125-E127 VanDerWaalsContact C-N 3.32Å; E125-E127 PolarHBondContact O-N 3.22Å; E125-K128 PolarHBondContact O-N 3.11Å; E125-E129 WeakPolarHBondContact O-CG 3.41Å; E125-E129 PolarHBondContact O-N 3.46Å
126	L	74.4	Confident	66	Low	20 Å²	20	96.7 Å²	96.7	11%	0.105	46%	0.46	C	S	.	.	H	α-helix	trans	-59.8	-41.3	171.7	-177.1	68.1	0	0	0	111.9	L104 W107 M122 L123 K128 E129 L130	L104-L126 HydrophobicContact CD2-CD2 3.88Å; W107-L126 HydrophobicContact CD2-CD2 3.91Å; W107-L126 HydrophobicContact CE3-CD2 4Å; W107-L126 HydrophobicContact CG-CD2 4.43Å; W107-L126 HydrophobicContact CH2-CB 3.96Å; W107-L126 HydrophobicContact CH2-CD2 4.36Å; W107-L126 HydrophobicContact CZ2-CB 4.14Å; W107-L126 HydrophobicContact CZ2-CD1 3.98Å; W107-L126 HydrophobicContact CZ2-CD2 4.26Å; W107-L126 HydrophobicContact CZ2-CG 4.36Å; W107-L126 HydrophobicContact CZ3-CB 4.38Å; W107-L126 HydrophobicContact CZ3-CD2 4.23Å; M122-L126 WeakPolarHBondContact O-CB 3.25Å; M122-L126 PolarHBondContact O-N 3.15Å; L123-L126 PolarHBondContact O-N 3.21Å; L126-K128 VanDerWaalsContact C-N 3.35Å; L126-E129 PolarHBondContact O-N 3.22Å; L126-L130 HydrophobicContact CG-CD1 4.33Å; L126-L130 VanDerWaalsContact O-CG 3.27Å; L126-L130 WeakPolarHBondContact O-CG 3.5Å; L126-L130 PolarHBondContact O-N 3.28Å
127	E	73.1	Confident	64.6	Low	75 Å²	75	103.7 Å²	103.7	35%	0.35	50%	0.495	S	S	.	.	H	α-helix	trans	-61.7	-42.9	175.3	-173.9	176.8	-157.2	0	0	111.3	L123 E125 L130 E131	L123-E127 WeakPolarHBondContact O-CB 3.26Å; L123-E127 PolarHBondContact O-N 3.49Å; E125-E127 VanDerWaalsContact C-N 3.32Å; E125-E127 PolarHBondContact O-N 3.22Å; E127-L130 PolarHBondContact O-N 3.4Å; E127-E131 WeakPolarHBondContact O-CB 3.48Å; E127-E131 PolarHBondContact O-N 3.31Å
128	K	73.4	Confident	62.7	Low	140 Å²	140	101.6 Å²	101.6	61%	0.609	49%	0.492	S	S	*	.	H	α-helix	trans	-64.4	-40.6	175.5	-75	169	-173.5	159.2	0	112.6	E124 E125 L126 L130 E131 E132	E124-K128 WeakPolarHBondContact O-CG 3.49Å; E124-K128 PolarHBondContact O-N 3.28Å; E125-K128 PolarHBondContact O-N 3.11Å; L126-K128 VanDerWaalsContact C-N 3.35Å; K128-L130 PolarHBondContact O-N 2.85Å; K128-E131 PolarHBondContact O-N 3.14Å; K128-E131 VanDerWaalsContact O-N 3.13Å; K128-E132 WeakPolarHBondContact O-CG 3.48Å; K128-E132 PolarHBondContact O-N 3.44Å
129	E	69.4	Low	61	Low	141 Å²	141	105.1 Å²	105.1	66%	0.659	52%	0.519	S	S	*	.	H	α-helix	trans	-61.6	-31.6	174.6	-72.2	-167.7	159.9	0	0	112.4	E125 L126	E125-E129 WeakPolarHBondContact O-CG 3.41Å; E125-E129 PolarHBondContact O-N 3.46Å; L126-E129 PolarHBondContact O-N 3.22Å
130	L	59.3	Low	59.3	Low	87 Å²	87	111 Å²	111	46%	0.455	55%	0.546	S	S	.	.	H	α-helix	trans	-79.4	-25	175.1	-68.2	168.7	0	0	0	113.3	L126 E127 K128 W146	L126-L130 HydrophobicContact CG-CD1 4.33Å; L126-L130 VanDerWaalsContact O-CG 3.27Å; L126-L130 WeakPolarHBondContact O-CG 3.5Å; L126-L130 PolarHBondContact O-N 3.28Å; E127-L130 PolarHBondContact O-N 3.4Å; K128-L130 PolarHBondContact O-N 2.85Å; L130-W146 HydrophobicContact CD1-CZ2 4.41Å; L130-W146 HydrophobicContact CD2-CZ2 4.18Å
131	E	57.2	Low	57.7	Low	113 Å²	113	114.7 Å²	114.7	53%	0.528	57%	0.565	S	S	.	*	H	α-helix	trans	-96	-8.6	-176.9	-134.1	75.8	-160.7	0	0	113.4	E127 K128 P133 K195	E127-E131 WeakPolarHBondContact O-CB 3.48Å; E127-E131 PolarHBondContact O-N 3.31Å; K128-E131 PolarHBondContact O-N 3.14Å; K128-E131 VanDerWaalsContact O-N 3.13Å; E131-P133 WeakPolarHBondContact O-CD 3.39Å; E131-K195 IonicContact OE1-NZ 3.04Å; E131-K195 PolarHBondContact OE1-NZ 3.42Å; E131-K195 VanDerWaalsContact OE1-NZ 3.17Å; E131-K195 IonicContact OE2-NZ 2.83Å; E131-K195 PolarHBondContact OE2-NZ 2.96Å
132	E	46.1	Very low	55.9	Low	150 Å²	150	117.7 Å²	117.7	70%	0.701	58%	0.577	S	S	*	*			trans	-68.1	122.7	174.8	-75.8	-151.7	160.7	0	0	112.2	K128 R134	K128-E132 WeakPolarHBondContact O-CG 3.48Å; K128-E132 PolarHBondContact O-N 3.44Å; E132-R134 PolarHBondContact O-N 2.85Å
133	P	42.7	Very low	54.2	Low	120 Å²	120	122.4 Å²	122.4	78%	0.779	60%	0.599	S	S	*	*			trans	-77.3	93.8	172.4	30.4	-30.1	0	0	0	109.3	E131 Q135	E131-P133 WeakPolarHBondContact O-CD 3.39Å; P133-Q135 PolarHBondContact O-N 3.49Å
134	R	37.7	Very low	52.5	Low	238 Å²	238	125.2 Å²	125.2	90%	0.898	61%	0.612	S	S	*	*			trans	-66.5	103.7	162.5	-115.2	-167.3	-80.7	-167.9	-3.5	108.2	E132 Q136	E132-R134 PolarHBondContact O-N 2.85Å; R134-Q136 VanDerWaalsContact C-N 3.34Å; R134-Q136 PolarHBondContact O-N 3.13Å
135	Q	44.9	Very low	50.7	Low	181 Å²	181	127.4 Å²	127.4	85%	0.846	62%	0.621	S	S	*	*			trans	-61.2	96	166.4	-70.8	174.4	-10.1	0	0	108.7	P133	P133-Q135 PolarHBondContact O-N 3.49Å
136	Q	36.3	Very low	48.8	Very low	179 Å²	179	127.4 Å²	127.4	84%	0.836	62%	0.616	S	S	*	*	S	Bend	trans	167.3	134.8	135.1	-89.6	160.5	15	0	0	110.8	R134	R134-Q136 VanDerWaalsContact C-N 3.34Å; R134-Q136 PolarHBondContact O-N 3.13Å
137	D	41.3	Very low	47.2	Very low	157 Å²	157	131.6 Å²	131.6	84%	0.84	64%	0.635	S	S	*	*			trans	-23.3	121.6	176.2	-64	-52.8	0	0	0	116.6
138	T	33.8	Very low	45.5	Very low	95 Å²	95	134.3 Å²	134.3	58%	0.583	65%	0.647	S	S	*	*			trans	176.3	109.4	132	29.2	0	0	0	0	109.6	H140	T138-H140 PolarHBondContact O-N 3.2Å
139	T	42.9	Very low	43.9	Very low	145 Å²	145	131.4 Å²	131.4	89%	0.89	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.2	33.8	176	51.4	0	0	0	0	113.1
140	H	42.2	Very low	42.4	Very low	123 Å²	123	129.8 Å²	129.8	57%	0.569	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.2	-25.9	-179	-164.4	53.9	0	0	0	112.9	T138 M144	T138-H140 PolarHBondContact O-N 3.2Å; H140-M144 VanDerWaalsContact O-CG 3.27Å; H140-M144 WeakPolarHBondContact O-CG 3.38Å
141	D	42.2	Very low	41.5	Very low	104 Å²	104	129.6 Å²	129.6	56%	0.556	64%	0.643	S	S	*	*	H	α-helix	trans	-85.7	-24.8	-172.9	-71.3	-10	0	0	0	113.7	F145	D141-F145 PolarHBondContact O-N 2.93Å
142	Q	41.8	Very low	40.5	Very low	162 Å²	162	129.9 Å²	129.9	76%	0.757	65%	0.653	S	S	*	*	H	α-helix	trans	-75.9	-27.9	178.3	-69.9	-176.1	-23.6	0	0	113.3
143	E	42.8	Very low	40.1	Very low	127 Å²	127	126.5 Å²	126.5	59%	0.593	66%	0.657	S	S	*	*	H	α-helix	trans	-82.6	-28.5	178	-149.9	169.6	-155.6	0	0	111.4	Q147	E143-Q147 WeakPolarHBondContact O-CG 3.37Å; E143-Q147 PolarHBondContact O-N 3.18Å
144	M	41.7	Very low	39.5	Very low	84 Å²	84	124.9 Å²	124.9	41%	0.414	66%	0.655	S	S	.	*	H	α-helix	trans	-68.7	-36.8	174.2	-75.1	-74.1	-67.6	0	0	112.8	H140 W146 Q147 E148	H140-M144 VanDerWaalsContact O-CG 3.27Å; H140-M144 WeakPolarHBondContact O-CG 3.38Å; M144-W146 PolarHBondContact O-N 3.39Å; M144-Q147 PolarHBondContact O-N 3.19Å; M144-E148 WeakPolarHBondContact O-CB 3.5Å; M144-E148 PolarHBondContact O-N 3.33Å
145	F	41.5	Very low	39	Very low	118 Å²	118	120.7 Å²	120.7	52%	0.518	66%	0.655	S	S	.	*	H	α-helix	trans	-63.1	-41.2	-179.6	-175.1	-105.3	0	0	0	112.9	D141 E148 M149	D141-F145 PolarHBondContact O-N 2.93Å; F145-E148 PolarHBondContact O-N 3.29Å; F145-M149 WeakPolarHBondContact O-CG 3.45Å; F145-M149 PolarHBondContact O-N 3.49Å; F145-M149 VanDerWaalsContact O-N 3.17Å
146	W	39.7	Very low	38.3	Very low	117 Å²	117	121.4 Å²	121.4	44%	0.443	66%	0.655	S	S	.	*	H	α-helix	trans	-76.9	-28.6	175.7	-72.1	107.1	0	0	0	113.2	L130 M144 T150	L130-W146 HydrophobicContact CD1-CZ2 4.41Å; L130-W146 HydrophobicContact CD2-CZ2 4.18Å; M144-W146 PolarHBondContact O-N 3.39Å; W146-T150 WeakPolarHBondContact O-CG2 3.29Å; W146-T150 PolarHBondContact O-N 3.01Å; W146-T150 PolarHBondContact O-OG1 3.45Å
147	Q	40.7	Very low	37.8	Very low	107 Å²	107	118.2 Å²	118.2	50%	0.5	65%	0.653	S	S	.	*	H	α-helix	trans	-71.7	-30	171.2	-75.6	-178.8	6	0	0	112.6	E143 M144 T150 S151	E143-Q147 WeakPolarHBondContact O-CG 3.37Å; E143-Q147 PolarHBondContact O-N 3.18Å; M144-Q147 PolarHBondContact O-N 3.19Å; Q147-T150 WeakPolarHBondContact CA-OG1 3.36Å; Q147-T150 PolarHBondContact O-OG1 3.08Å; Q147-S151 VanDerWaalsContact O-CB 3.32Å; Q147-S151 WeakPolarHBondContact O-CB 3.39Å; Q147-S151 PolarHBondContact O-N 2.98Å; Q147-S151 PolarHBondContact O-OG 3.4Å
148	E	38.4	Very low	37	Very low	132 Å²	132	117.2 Å²	117.2	62%	0.617	65%	0.647	S	S	*	*	H	α-helix	trans	-76.4	-37.5	176.9	-164.3	159.1	-166.9	0	0	111.9	M144 F145 T150 S151 T152	M144-E148 WeakPolarHBondContact O-CB 3.5Å; M144-E148 PolarHBondContact O-N 3.33Å; F145-E148 PolarHBondContact O-N 3.29Å; E148-T150 VanDerWaalsContact C-N 3.31Å; E148-T150 PolarHBondContact O-N 2.91Å; E148-S151 PolarHBondContact O-N 3.38Å; E148-T152 PolarHBondContact O-N 3.37Å
149	M	39.2	Very low	36.6	Very low	79 Å²	79	119.4 Å²	119.4	39%	0.389	66%	0.655	S	S	.	*	H	α-helix	trans	-64.2	-29.5	171.8	-79	-77.7	-79.9	0	0	113.8	F145 T152	F145-M149 WeakPolarHBondContact O-CG 3.45Å; F145-M149 PolarHBondContact O-N 3.49Å; F145-M149 VanDerWaalsContact O-N 3.17Å; M149-T152 PolarHBondContact O-OG1 3.15Å
150	T	37.5	Very low	35.8	Very low	107 Å²	107	117.8 Å²	117.8	66%	0.656	65%	0.649	S	S	*	*	H	α-helix	trans	-85.7	-15.4	176	46.5	0	0	0	0	113.2	W146 Q147 E148	W146-T150 WeakPolarHBondContact O-CG2 3.29Å; W146-T150 PolarHBondContact O-N 3.01Å; W146-T150 PolarHBondContact O-OG1 3.45Å; Q147-T150 WeakPolarHBondContact CA-OG1 3.36Å; Q147-T150 PolarHBondContact O-OG1 3.08Å; E148-T150 VanDerWaalsContact C-N 3.31Å; E148-T150 PolarHBondContact O-N 2.91Å
151	S	40.9	Very low	35.2	Very low	84 Å²	84	116.7 Å²	116.7	59%	0.587	65%	0.653	S	S	*	*	H	α-helix	trans	-94.6	-13.6	-174.7	-64	0	0	0	0	114.6	Q147 E148 G153	Q147-S151 VanDerWaalsContact O-CB 3.32Å; Q147-S151 WeakPolarHBondContact O-CB 3.39Å; Q147-S151 PolarHBondContact O-N 2.98Å; Q147-S151 PolarHBondContact O-OG 3.4Å; E148-S151 PolarHBondContact O-N 3.38Å; S151-G153 PolarHBondContact O-N 3.35Å
152	T	36.7	Very low	34.3	Very low	119 Å²	119	117.8 Å²	117.8	73%	0.73	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.8	3.4	179.5	42.8	0	0	0	0	114.5	E148 M149	E148-T152 PolarHBondContact O-N 3.37Å; M149-T152 PolarHBondContact O-OG1 3.15Å
153	G	37	Very low	33.5	Very low	78 Å²	78	118.3 Å²	118.3	80%	0.804	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.9	-0.7	174.4	0	0	0	0	0	116.9	S151	S151-G153 PolarHBondContact O-N 3.35Å
154	A	31.4	Very low	33	Very low	87 Å²	87	116.9 Å²	116.9	72%	0.719	67%	0.667	S	S	*	*			trans	-128.8	104.1	-174.1	0	0	0	0	0	114
155	V	26.3	Very low	32	Very low	149 Å²	149	121.4 Å²	121.4	90%	0.903	69%	0.692	S	S	*	*			trans	-87.5	126.3	165.5	-177.3	0	0	0	0	110.4
156	K	30.6	Very low	31.2	Very low	196 Å²	196	123.1 Å²	123.1	85%	0.852	70%	0.702	S	S	*	*			trans	-36.7	147.8	175.5	-64	164.6	178.9	170.7	0	117.2
157	S	24.6	Very low	30.5	Very low	113 Å²	113	123.8 Å²	123.8	79%	0.79	71%	0.714	S	S	*	*			trans	-136.1	104.8	132.9	-159.9	0	0	0	0	112.2
158	L	25.1	Very low	29.8	Very low	135 Å²	135	127.3 Å²	127.3	71%	0.707	73%	0.731	S	S	*	*			trans	57.5	108.3	143.2	-64.3	164	0	0	0	122.4
159	N	25.7	Very low	29.1	Very low	142 Å²	142	125.3 Å²	125.3	76%	0.759	73%	0.73	S	S	*	*				77.5	108.2	118	-72.5	-3.7	0	0	0	123.4
160	S	25.2	Very low	28.4	Very low	110 Å²	110	130.7 Å²	130.7	77%	0.769	75%	0.752	S	S	*	*				84.9	158.9	121.7	-130.5	0	0	0	0	119.8
161	P	29.8	Very low	27.7	Very low	100 Å²	100	130.3 Å²	130.3	65%	0.649	75%	0.753	S	S	*	*				-135.2	169.4	-80.5	41.8	-26	0	0	0	113.7
162	V	23.2	Very low	27	Very low	128 Å²	128	135 Å²	135	78%	0.776	77%	0.766	S	S	*	*			trans	70.5	133.1	141.2	159.4	0	0	0	0	115.6
163	Q	25.6	Very low	26.6	Very low	173 Å²	173	135.8 Å²	135.8	81%	0.808	77%	0.771	S	S	*	*			cis	-172.1	-169.9	18.1	-122.4	-160.7	-0.4	0	0	110.7
164	P	31.8	Very low	26.5	Very low	96 Å²	96	141.1 Å²	141.1	62%	0.623	78%	0.775	S	S	*	*			trans	-102.8	170.4	-143.9	43.8	-32.8	0	0	0	113.7
165	L	22.3	Very low	26.5	Very low	179 Å²	179	145.9 Å²	145.9	94%	0.937	78%	0.782	S	S	*	*			trans	-145.8	115.9	153.4	-116.8	115.9	0	0	0	111.6
166	E	23.6	Very low	26.7	Very low	154 Å²	154	144.1 Å²	144.1	72%	0.72	78%	0.776	S	S	*	*			trans	-65.1	142.1	163.7	-56	171.2	135.7	0	0	110.2
167	N	25.9	Very low	26.8	Very low	131 Å²	131	143.6 Å²	143.6	70%	0.701	78%	0.777	S	S	*	*				157.8	146	105.3	-90.5	-46.2	0	0	0	114.9
168	Q	25.4	Very low	27.1	Very low	182 Å²	182	140.9 Å²	140.9	85%	0.85	76%	0.762	S	S	*	*			trans	74.3	140.4	152.6	-79.5	176.3	-0	0	0	118.6
169	C	22.5	Very low	27.3	Very low	90 Å²	90	142.1 Å²	142.1	61%	0.608	76%	0.761	S	S	*	*			cis	-177.4	139.9	-9.4	-160.5	0	0	0	0	107
170	K	24.6	Very low	27.6	Very low	192 Å²	192	143.2 Å²	143.2	84%	0.835	76%	0.762	S	S	*	*			trans	67.7	133.7	160.4	-62.9	156.8	-177.7	-179.6	0	115.2
171	S	24	Very low	27.8	Very low	98 Å²	98	143.5 Å²	143.5	69%	0.685	75%	0.751	S	S	*	*			cis	-166.4	158.7	43.3	45.4	0	0	0	0	111.3
172	E	25.3	Very low	27.8	Very low	182 Å²	182	147.3 Å²	147.3	85%	0.85	75%	0.753	S	S	*	*			trans	76.8	107.7	153.8	-72.1	169	179.4	0	0	118.9
173	T	29.9	Very low	28.2	Very low	137 Å²	137	145 Å²	145	84%	0.84	74%	0.736	S	S	*	*			trans	-46.4	147	160.7	21.2	0	0	0	0	114.3
174	Q	33.9	Very low	28.5	Very low	189 Å²	189	140.6 Å²	140.6	88%	0.883	72%	0.724	S	S	*	*			trans	106.4	61.1	145.1	-149.1	171.9	12.8	0	0	117.4
175	E	30.8	Very low	28.5	Very low	188 Å²	188	142.5 Å²	142.5	88%	0.879	72%	0.723	S	S	*	*			trans	-166	71.2	148	-116.2	178.8	-176.8	0	0	111.1
176	S	30	Very low	28.9	Very low	111 Å²	111	138.7 Å²	138.7	78%	0.776	70%	0.701	S	S	*	*			trans	-148.9	33.4	174.6	-48.8	0	0	0	0	113.7
177	Q	32.7	Very low	29.3	Very low	185 Å²	185	135.3 Å²	135.3	86%	0.864	69%	0.691	S	S	*	*	S	Bend	trans	-123	7.1	168.1	-80.9	-175.4	-28.5	0	0	113.4
178	A	32.3	Very low	29.6	Very low	57 Å²	57	131.9 Å²	131.9	47%	0.471	68%	0.681	S	S	.	*	S	Bend	trans	-113.7	0.7	-179.6	0	0	0	0	0	114.9
179	F	29.4	Very low	30	Very low	160 Å²	160	124.9 Å²	124.9	70%	0.702	66%	0.657	S	S	*	*	S	Bend	trans	-105.9	-30.5	-178.1	-146.3	-95.7	0	0	0	113.9
180	Q	31.3	Very low	30.7	Very low	166 Å²	166	127 Å²	127	78%	0.776	66%	0.656	S	S	*	*	H	α-helix	trans	-79.9	-26.9	172.9	-87.4	175.8	-40.1	0	0	113.5	R182 S184	Q180-R182 VanDerWaalsContact C-N 3.33Å; Q180-R182 PolarHBondContact O-N 2.75Å; Q180-S184 PolarHBondContact O-N 3Å; Q180-S184 PolarHBondContact O-OG 2.79Å
181	E	29	Very low	31.3	Very low	116 Å²	116	121.7 Å²	121.7	54%	0.542	64%	0.64	S	S	.	*	H	α-helix	trans	-74.1	-20.8	177.1	-98.7	-162.1	-169.6	0	0	113.9	K185	E181-K185 VanDerWaalsContact O-CB 3.3Å; E181-K185 WeakPolarHBondContact O-CB 3.25Å; E181-K185 WeakPolarHBondContact O-CD 3.27Å; E181-K185 VanDerWaalsContact O-CG 3.27Å; E181-K185 WeakPolarHBondContact O-CG 3.41Å; E181-K185 PolarHBondContact O-N 2.91Å; E181-K185 IonicContact OE2-NZ 2.67Å; E181-K185 PolarHBondContact OE2-NZ 3.15Å
182	R	31.4	Very low	31.9	Very low	179 Å²	179	122.2 Å²	122.2	68%	0.675	63%	0.634	S	S	*	*	H	α-helix	trans	-80.2	-35.4	178.4	-78	-175	-175.9	143.1	2.7	112.3	Q180 M186	Q180-R182 VanDerWaalsContact C-N 3.33Å; Q180-R182 PolarHBondContact O-N 2.75Å; R182-M186 VanDerWaalsContact O-CB 3.25Å; R182-M186 WeakPolarHBondContact O-CB 3.3Å; R182-M186 PolarHBondContact O-N 3.11Å
183	D	31.1	Very low	32.5	Very low	81 Å²	81	119.5 Å²	119.5	43%	0.433	62%	0.623	S	S	.	*	H	α-helix	trans	-75.5	-40	176.2	-79.5	-28.4	0	0	0	112.1	K185 M186 V187	D183-K185 PolarHBondContact O-N 3.47Å; D183-M186 PolarHBondContact O-N 3.31Å; D183-M186 WeakPolarHBondContact OD1-CE 3.34Å; D183-V187 WeakPolarHBondContact O-CB 3.43Å; D183-V187 VanDerWaalsContact O-CG2 3.3Å; D183-V187 WeakPolarHBondContact O-CG2 3.28Å; D183-V187 PolarHBondContact O-N 2.86Å
184	S	30.4	Very low	32.9	Very low	80 Å²	80	114.4 Å²	114.4	56%	0.559	60%	0.595	S	S	*	*	H	α-helix	trans	-66.2	-33.6	173.7	-64	0	0	0	0	113.1	Q180 A188	Q180-S184 PolarHBondContact O-N 3Å; Q180-S184 PolarHBondContact O-OG 2.79Å; S184-A188 WeakPolarHBondContact O-CB 3.43Å; S184-A188 PolarHBondContact O-N 3.2Å
185	K	32.2	Very low	33.1	Very low	135 Å²	135	109.1 Å²	109.1	59%	0.587	57%	0.569	S	S	*	*	H	α-helix	trans	-73.9	-30.7	172.5	-76.6	171.2	-179.7	155.5	0	112.6	E181 D183 G189	E181-K185 VanDerWaalsContact O-CB 3.3Å; E181-K185 WeakPolarHBondContact O-CB 3.25Å; E181-K185 WeakPolarHBondContact O-CD 3.27Å; E181-K185 VanDerWaalsContact O-CG 3.27Å; E181-K185 WeakPolarHBondContact O-CG 3.41Å; E181-K185 PolarHBondContact O-N 2.91Å; E181-K185 IonicContact OE2-NZ 2.67Å; E181-K185 PolarHBondContact OE2-NZ 3.15Å; D183-K185 PolarHBondContact O-N 3.47Å; K185-G189 PolarHBondContact O-N 3.39Å
186	M	30.4	Very low	33.7	Very low	99 Å²	99	105.8 Å²	105.8	49%	0.488	55%	0.554	S	S	.	*	H	α-helix	trans	-72.9	-36.7	174.4	-172.1	170.7	66.9	0	0	111.8	R182 D183 K190	R182-M186 VanDerWaalsContact O-CB 3.25Å; R182-M186 WeakPolarHBondContact O-CB 3.3Å; R182-M186 PolarHBondContact O-N 3.11Å; D183-M186 PolarHBondContact O-N 3.31Å; D183-M186 WeakPolarHBondContact OD1-CE 3.34Å; M186-K190 VanDerWaalsContact O-CG 3.28Å; M186-K190 WeakPolarHBondContact O-CG 3.5Å; M186-K190 PolarHBondContact O-N 2.83Å
187	V	33.1	Very low	34.4	Very low	84 Å²	84	106.5 Å²	106.5	51%	0.509	55%	0.545	S	S	.	.	H	α-helix	trans	-73.2	-45.1	174.8	175.5	0	0	0	0	110.9	D183 G189 K190 V191	D183-V187 WeakPolarHBondContact O-CB 3.43Å; D183-V187 VanDerWaalsContact O-CG2 3.3Å; D183-V187 WeakPolarHBondContact O-CG2 3.28Å; D183-V187 PolarHBondContact O-N 2.86Å; V187-G189 VanDerWaalsContact C-N 3.27Å; V187-G189 PolarHBondContact O-N 3.03Å; V187-K190 PolarHBondContact O-N 2.91Å; V187-K190 VanDerWaalsContact O-N 3.12Å; V187-V191 HydrophobicContact CG1-CG2 4.5Å; V187-V191 VanDerWaalsContact O-CG2 3.29Å; V187-V191 WeakPolarHBondContact O-CG2 3.42Å; V187-V191 PolarHBondContact O-N 3.12Å
188	A	32.6	Very low	34.8	Very low	59 Å²	59	100 Å²	100	49%	0.488	52%	0.516	S	S	.	.	H	α-helix	trans	-62.2	-34.6	173.1	0	0	0	0	0	112.6	S184 V191 L192	S184-A188 WeakPolarHBondContact O-CB 3.43Å; S184-A188 PolarHBondContact O-N 3.2Å; A188-V191 PolarHBondContact O-N 3.43Å; A188-L192 WeakPolarHBondContact O-CB 3.5Å; A188-L192 PolarHBondContact O-N 3.08Å
189	G	33.6	Very low	35.3	Very low	34 Å²	34	101.5 Å²	101.5	35%	0.351	52%	0.518	S	S	.	.	H	α-helix	trans	-66.9	-37.4	172.5	0	0	0	0	0	113.3	K185 V187 M193	K185-G189 PolarHBondContact O-N 3.39Å; V187-G189 VanDerWaalsContact C-N 3.27Å; V187-G189 PolarHBondContact O-N 3.03Å; G189-M193 WeakPolarHBondContact O-CG 3.39Å; G189-M193 PolarHBondContact O-N 3.43Å; G189-M193 VanDerWaalsContact O-N 3.08Å
190	K	37.4	Very low	35.9	Very low	135 Å²	135	100.2 Å²	100.2	59%	0.587	52%	0.515	S	S	*	.	H	α-helix	trans	-69.6	-37.7	172.9	-74.4	173.9	-179.8	-174.8	0	112.2	M186 V187 M193 A194	M186-K190 VanDerWaalsContact O-CG 3.28Å; M186-K190 WeakPolarHBondContact O-CG 3.5Å; M186-K190 PolarHBondContact O-N 2.83Å; V187-K190 PolarHBondContact O-N 2.91Å; V187-K190 VanDerWaalsContact O-N 3.12Å; K190-M193 PolarHBondContact O-N 3.42Å; K190-A194 WeakPolarHBondContact O-CB 3.42Å; K190-A194 PolarHBondContact O-N 2.94Å
191	V	36	Very low	36.2	Very low	80 Å²	80	95.1 Å²	95.1	49%	0.485	50%	0.496	S	S	.	.	H	α-helix	trans	-66.8	-39.4	175.7	172	0	0	0	0	111.3	V187 A188 A194 K195	V187-V191 HydrophobicContact CG1-CG2 4.5Å; V187-V191 VanDerWaalsContact O-CG2 3.29Å; V187-V191 WeakPolarHBondContact O-CG2 3.42Å; V187-V191 PolarHBondContact O-N 3.12Å; A188-V191 PolarHBondContact O-N 3.43Å; V191-A194 PolarHBondContact O-N 2.77Å; V191-K195 WeakPolarHBondContact O-CB 3.24Å; V191-K195 WeakPolarHBondContact O-CG 3.49Å; V191-K195 PolarHBondContact O-N 2.67Å
192	L	37	Very low	36.6	Very low	109 Å²	109	91.8 Å²	91.8	57%	0.571	48%	0.484	S	S	*	.	H	α-helix	trans	-68.7	-38.3	175.9	-163.4	73.5	0	0	0	111.9	A188 K195 Q196	A188-L192 WeakPolarHBondContact O-CB 3.5Å; A188-L192 PolarHBondContact O-N 3.08Å; L192-K195 PolarHBondContact O-N 3.35Å; L192-Q196 WeakPolarHBondContact O-CB 3.47Å; L192-Q196 PolarHBondContact O-N 3.45Å
193	M	37.8	Very low	37	Very low	125 Å²	125	86 Å²	86	62%	0.616	47%	0.474	S	S	*	.	H	α-helix	trans	-67.2	-41.5	174.2	-69.8	-66	-135	0	0	112	G189 K190 Q196 E197	G189-M193 WeakPolarHBondContact O-CG 3.39Å; G189-M193 PolarHBondContact O-N 3.43Å; G189-M193 VanDerWaalsContact O-N 3.08Å; K190-M193 PolarHBondContact O-N 3.42Å; M193-Q196 PolarHBondContact O-N 3.48Å; M193-E197 WeakPolarHBondContact O-CB 3.4Å; M193-E197 WeakPolarHBondContact O-CG 3.49Å; M193-E197 PolarHBondContact O-N 3Å
194	A	39	Very low	37.5	Very low	31 Å²	31	86.2 Å²	86.2	26%	0.256	48%	0.482	S	S	.	.	H	α-helix	trans	-64.9	-40.7	174.6	0	0	0	0	0	112	K190 V191 Q196 E197 I198	K190-A194 WeakPolarHBondContact O-CB 3.42Å; K190-A194 PolarHBondContact O-N 2.94Å; V191-A194 PolarHBondContact O-N 2.77Å; A194-Q196 VanDerWaalsContact C-N 3.3Å; A194-Q196 PolarHBondContact O-N 3.33Å; A194-E197 PolarHBondContact O-N 3.27Å; A194-I198 WeakPolarHBondContact O-CB 3.21Å; A194-I198 WeakPolarHBondContact O-CD1 3.22Å; A194-I198 WeakPolarHBondContact O-CG1 3.39Å; A194-I198 PolarHBondContact O-N 3.45Å
195	K	38.7	Very low	37.7	Very low	78 Å²	78	85.2 Å²	85.2	34%	0.339	48%	0.479	S	S	.	.	H	α-helix	trans	-59.2	-40	170.8	-81.1	-167.7	164.1	-153.4	0	111.8	E131 V191 L192 V199	E131-K195 IonicContact OE1-NZ 3.04Å; E131-K195 PolarHBondContact OE1-NZ 3.42Å; E131-K195 VanDerWaalsContact OE1-NZ 3.17Å; E131-K195 IonicContact OE2-NZ 2.83Å; E131-K195 PolarHBondContact OE2-NZ 2.96Å; V191-K195 WeakPolarHBondContact O-CB 3.24Å; V191-K195 WeakPolarHBondContact O-CG 3.49Å; V191-K195 PolarHBondContact O-N 2.67Å; L192-K195 PolarHBondContact O-N 3.35Å; K195-V199 VanDerWaalsContact O-CG2 3.31Å; K195-V199 WeakPolarHBondContact O-CG2 3.42Å; K195-V199 PolarHBondContact O-N 2.92Å
196	Q	42.6	Very low	37.7	Very low	118 Å²	118	82.7 Å²	82.7	55%	0.551	48%	0.483	S	S	*	.	H	α-helix	trans	-72.9	-36.8	-179.8	-146.2	122.5	20.5	0	0	112.8	L192 M193 A194 V199 E200	L192-Q196 WeakPolarHBondContact O-CB 3.47Å; L192-Q196 PolarHBondContact O-N 3.45Å; M193-Q196 PolarHBondContact O-N 3.48Å; A194-Q196 VanDerWaalsContact C-N 3.3Å; A194-Q196 PolarHBondContact O-N 3.33Å; Q196-V199 PolarHBondContact O-N 3.44Å; Q196-E200 PolarHBondContact O-N 3.47Å; Q196-E200 VanDerWaalsContact O-N 3.16Å
197	E	44.1	Very low	37.8	Very low	126 Å²	126	85.7 Å²	85.7	59%	0.589	50%	0.498	S	S	*	.	H	α-helix	trans	-68.5	-36.7	174.9	-74.6	176.8	171.1	0	0	112.1	M193 A194 E200 C201	M193-E197 WeakPolarHBondContact O-CB 3.4Å; M193-E197 WeakPolarHBondContact O-CG 3.49Å; M193-E197 PolarHBondContact O-N 3Å; A194-E197 PolarHBondContact O-N 3.27Å; E197-E200 PolarHBondContact O-N 3.05Å; E197-C201 WeakPolarHBondContact O-CB 3.37Å; E197-C201 PolarHBondContact O-N 3.35Å
198	I	42.3	Very low	37.9	Very low	49 Å²	49	88.6 Å²	88.6	25%	0.251	51%	0.509	S	S	.	.	H	α-helix	trans	-64.4	-43.3	174.5	-69.4	163.5	0	0	0	110.9	L104 A194 E200 C201 V202	L104-I198 HydrophobicContact CD1-CD1 3.85Å; A194-I198 WeakPolarHBondContact O-CB 3.21Å; A194-I198 WeakPolarHBondContact O-CD1 3.22Å; A194-I198 WeakPolarHBondContact O-CG1 3.39Å; A194-I198 PolarHBondContact O-N 3.45Å; I198-E200 VanDerWaalsContact C-N 3.34Å; I198-E200 PolarHBondContact O-N 3.33Å; I198-C201 PolarHBondContact O-N 3.42Å; I198-V202 HydrophobicContact CG2-CG2 4.47Å; I198-V202 WeakPolarHBondContact O-CG2 3.24Å; I198-V202 PolarHBondContact O-N 2.86Å
199	V	41.8	Very low	37.7	Very low	87 Å²	87	91.4 Å²	91.4	53%	0.527	53%	0.525	S	S	.	.	H	α-helix	trans	-63.1	-38.1	176.4	171.3	0	0	0	0	111.9	K195 Q196 A203	K195-V199 VanDerWaalsContact O-CG2 3.31Å; K195-V199 WeakPolarHBondContact O-CG2 3.42Å; K195-V199 PolarHBondContact O-N 2.92Å; Q196-V199 PolarHBondContact O-N 3.44Å; V199-A203 WeakPolarHBondContact O-CB 3.39Å; V199-A203 PolarHBondContact O-N 3.44Å
200	E	41.7	Very low	37.7	Very low	134 Å²	134	95.7 Å²	95.7	63%	0.626	55%	0.547	S	S	*	.	H	α-helix	trans	-73	-34.3	176.4	-74	-172.7	174.6	0	0	113.1	Q196 E197 I198 S204	Q196-E200 PolarHBondContact O-N 3.47Å; Q196-E200 VanDerWaalsContact O-N 3.16Å; E197-E200 PolarHBondContact O-N 3.05Å; I198-E200 VanDerWaalsContact C-N 3.34Å; I198-E200 PolarHBondContact O-N 3.33Å; E200-S204 WeakPolarHBondContact O-CB 3.4Å; E200-S204 PolarHBondContact O-N 3.4Å; E200-S204 VanDerWaalsContact O-N 3.11Å; E200-S204 PolarHBondContact O-OG 2.66Å
201	C	39	Very low	37.2	Very low	58 Å²	58	93.1 Å²	93.1	39%	0.392	56%	0.559	S	S	.	*	H	α-helix	trans	-68.2	-42.8	174.6	-85.1	0	0	0	0	112.5	E197 I198 S204 A205	E197-C201 WeakPolarHBondContact O-CB 3.37Å; E197-C201 PolarHBondContact O-N 3.35Å; I198-C201 PolarHBondContact O-N 3.42Å; C201-S204 PolarHBondContact O-N 3Å; C201-A205 PolarHBondContact O-N 3.06Å
202	V	37.5	Very low	36.7	Very low	46 Å²	46	99.3 Å²	99.3	28%	0.279	58%	0.579	S	S	.	*	H	α-helix	trans	-70.1	-40	177.2	175.9	0	0	0	0	111.2	I198 S204 A205 A206	I198-V202 HydrophobicContact CG2-CG2 4.47Å; I198-V202 WeakPolarHBondContact O-CG2 3.24Å; I198-V202 PolarHBondContact O-N 2.86Å; V202-S204 VanDerWaalsContact C-N 3.26Å; V202-S204 PolarHBondContact O-N 3.03Å; V202-A205 PolarHBondContact O-N 3.4Å; V202-A206 PolarHBondContact O-N 3.16Å
203	A	38.7	Very low	36.5	Very low	57 Å²	57	102 Å²	102	47%	0.471	59%	0.593	S	S	.	*	H	α-helix	trans	-64.5	-29.5	175.3	0	0	0	0	0	113.3	V199	V199-A203 WeakPolarHBondContact O-CB 3.39Å; V199-A203 PolarHBondContact O-N 3.44Å
204	S	41.3	Very low	36.1	Very low	87 Å²	87	102.1 Å²	102.1	61%	0.608	60%	0.603	S	S	*	*	H	α-helix	trans	-77.2	-28.2	176.7	-61.8	0	0	0	0	112.9	E200 C201 V202	E200-S204 WeakPolarHBondContact O-CB 3.4Å; E200-S204 PolarHBondContact O-N 3.4Å; E200-S204 VanDerWaalsContact O-N 3.11Å; E200-S204 PolarHBondContact O-OG 2.66Å; C201-S204 PolarHBondContact O-N 3Å; V202-S204 VanDerWaalsContact C-N 3.26Å; V202-S204 PolarHBondContact O-N 3.03Å
205	A	35.1	Very low	35.4	Very low	58 Å²	58	103.8 Å²	103.8	48%	0.479	62%	0.624	S	S	.	*	H	α-helix	trans	-77.1	-32.7	177.6	0	0	0	0	0	112.9	C201 V202 M207	C201-A205 PolarHBondContact O-N 3.06Å; V202-A205 PolarHBondContact O-N 3.4Å; A205-M207 PolarHBondContact O-N 3.26Å
206	A	33.2	Very low	34.8	Very low	82 Å²	82	109.5 Å²	109.5	68%	0.678	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.6	-6.7	-178.8	0	0	0	0	0	115.4	V202	V202-A206 PolarHBondContact O-N 3.16Å
207	M	32	Very low	34	Very low	163 Å²	163	110.1 Å²	110.1	80%	0.803	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.7	13.4	-175.1	-67.7	-68.6	172.1	0	0	114.5	A205	A205-M207 PolarHBondContact O-N 3.26Å
208	I	34.3	Very low	33.3	Very low	144 Å²	144	109.7 Å²	109.7	74%	0.738	67%	0.672	S	S	*	*			trans	-116.5	87.2	176.2	-53.4	179.2	0	0	0	109.9
209	S	28.6	Very low	32.4	Very low	118 Å²	118	112.3 Å²	112.3	83%	0.825	70%	0.695	S	S	*	*			trans	-163.3	154.7	153.4	-91.5	0	0	0	0	112.4
210	P	34.5	Very low	31.7	Very low	125 Å²	125	116 Å²	116	81%	0.812	71%	0.706	S	S	*	*			trans	-93.3	133.7	-153.8	34.5	-32.4	0	0	0	115.3
211	G	27.2	Very low	30.8	Very low	81 Å²	81	116.5 Å²	116.5	84%	0.835	71%	0.708	S	S	*	*			trans	45.6	119.9	140.4	0	0	0	0	0	121.6
212	K	25	Very low	30.1	Very low	210 Å²	210	120.8 Å²	120.8	91%	0.913	73%	0.726	S	S	*	*			trans	-141.6	129.3	148.1	-152.8	161.6	-172.9	175.3	0	111.2
213	L	31.9	Very low	29.4	Very low	164 Å²	164	123 Å²	123	86%	0.859	75%	0.749	S	S	*	*			trans	-61.6	157.4	178.5	-70	162.6	0	0	0	112
214	P	30.2	Very low	28.7	Very low	128 Å²	128	129.3 Å²	129.3	83%	0.831	77%	0.769	S	S	*	*				-136.4	146	108.1	33.6	-20.3	0	0	0	113.3
215	G	24.7	Very low	27.9	Very low	67 Å²	67	134.1 Å²	134.1	69%	0.691	78%	0.782	S	S	*	*			trans	-83.1	150.6	163.2	0	0	0	0	0	110.8
216	E	25.1	Very low	27.4	Very low	197 Å²	197	134.8 Å²	134.8	92%	0.921	79%	0.787	S	S	*	*			trans	-175	129.4	139.8	-101.1	174.2	-167.4	0	0	108
217	T	25.5	Very low	27.1	Very low	132 Å²	132	138.7 Å²	138.7	81%	0.81	80%	0.796	S	S	*	*			trans	-79.1	154.3	167.4	51.5	0	0	0	0	109.7
218	P	29.6	Very low	26.8	Very low	116 Å²	116	134.8 Å²	134.8	75%	0.753	80%	0.798	S	S	*	*				-149.2	144.6	91.8	32.6	-12.6	0	0	0	117.4
219	S	24.7	Very low	26.2	Very low	105 Å²	105	131.3 Å²	131.3	73%	0.734	80%	0.797	S	S	*	*			trans	51.2	139.3	133.6	-67	0	0	0	0	125.7
220	E	25.3	Very low	26.1	Very low	165 Å²	165	134.4 Å²	134.4	77%	0.771	80%	0.803	S	S	*	*			trans	76	144.6	148.1	-73.3	177.8	167.5	0	0	118.7
221	Q	23.5	Very low	25.7	Very low	144 Å²	144	134 Å²	134	67%	0.673	79%	0.794	S	S	*	*			cis	-173.6	154.6	-8	-120.8	177.7	22.9	0	0	107.7
222	I	23.8	Very low	25.7	Very low	147 Å²	147	136.5 Å²	136.5	75%	0.754	79%	0.789	S	S	*	*			trans	73.4	118.2	151.9	-54.4	157.8	0	0	0	120.5
223	A	23.5	Very low	25.8	Very low	93 Å²	93	130.6 Å²	130.6	77%	0.769	77%	0.773	S	S	*	*				162.2	119.7	111.8	0	0	0	0	0	112.9
224	E	23.8	Very low	25.6	Very low	189 Å²	189	132 Å²	132	88%	0.883	77%	0.773	S	S	*	*			trans	-71.8	152.1	157.6	-72.2	-158.9	138.3	0	0	110.9
225	E	25	Very low	25.4	Very low	189 Å²	189	135.3 Å²	135.3	88%	0.883	77%	0.774	S	S	*	*				-174.4	124.8	127.8	-105.8	-175.8	168.5	0	0	114.8
226	A	24.8	Very low	25.5	Very low	72 Å²	72	141.2 Å²	141.2	60%	0.595	78%	0.784	S	S	*	*				62.5	107.3	126.5	0	0	0	0	0	124.5
227	L	26.6	Very low	25.5	Very low	163 Å²	163	142 Å²	142	85%	0.853	78%	0.784	S	S	*	*				67.8	140.4	111.4	-65.2	176.2	0	0	0	125
228	G	24.5	Very low	25.5	Very low	82 Å²	82	139.3 Å²	139.3	85%	0.845	78%	0.783	S	S	*	*			trans	114.7	130	135.4	0	0	0	0	0	115.6
229	G	23.2	Very low	25.2	Very low	70 Å²	70	141.8 Å²	141.8	72%	0.722	79%	0.79	S	S	*	*			cis	169.7	168.8	4.3	0	0	0	0	0	109.1
230	L	26.3	Very low	25.2	Very low	184 Å²	184	141.4 Å²	141.4	96%	0.963	79%	0.793	S	S	*	*			trans	176.4	123	138.9	-94.1	170.1	0	0	0	111.6
231	D	25.7	Very low	25.2	Very low	116 Å²	116	138.5 Å²	138.5	62%	0.62	80%	0.797	S	S	*	*			trans	-76.4	155.3	174	-84.8	-39	0	0	0	113.8
232	N	26.4	Very low	25.2	Very low	134 Å²	134	135 Å²	135	72%	0.717	80%	0.799	S	S	*	*				-172.5	119.1	114.8	-107.3	-30.5	0	0	0	116.8
233	S	28.2	Very low	25.3	Very low	85 Å²	85	135.6 Å²	135.6	59%	0.594	80%	0.804	S	S	*	*				81.3	117.5	125	-73.2	0	0	0	0	124.8
234	K	26.6	Very low	25.4	Very low	195 Å²	195	140.2 Å²	140.2	85%	0.848	81%	0.807	S	S	*	*			trans	90	89.2	133.1	-71.5	-179.6	179.6	177.3	0	122.5
235	K	26.4	Very low	25.4	Very low	197 Å²	197	140.1 Å²	140.1	86%	0.857	81%	0.809	S	S	*	*				40.9	121.2	112.1	-146.1	-179.3	-165.5	-179.5	0	121.4
236	Q	27.1	Very low	25.5	Very low	191 Å²	191	136.8 Å²	136.8	89%	0.893	81%	0.806	S	S	*	*				-171.9	159.7	113.3	-111.8	175.9	-8.6	0	0	113.4
237	K	25.7	Very low	25.4	Very low	212 Å²	212	142.3 Å²	142.3	92%	0.922	82%	0.82	S	S	*	*			trans	-90.2	153.4	-162.1	-79	169	161.6	-177.5	0	113.7
238	G	24.1	Very low	25.3	Very low	77 Å²	77	142.7 Å²	142.7	79%	0.794	82%	0.822	S	S	*	*			trans	-170.4	142.1	159.2	0	0	0	0	0	111.3
239	N	23.8	Very low	25.4	Very low	167 Å²	167	143.9 Å²	143.9	89%	0.893	82%	0.815	S	S	*	*			trans	-89.9	163.4	-165.1	-74.8	-21.8	0	0	0	115
240	A	25.4	Very low	25.4	Very low	98 Å²	98	146.1 Å²	146.1	81%	0.81	82%	0.819	S	S	*	*			trans	101.5	119	139.9	0	0	0	0	0	120.8
241	A	24.3	Very low	25.4	Very low	104 Å²	104	146.1 Å²	146.1	86%	0.86	81%	0.814	S	S	*	*			trans	60.2	119	134.8	0	0	0	0	0	122.4
242	G	23.5	Very low	25.3	Very low	69 Å²	69	147.9 Å²	147.9	71%	0.711	82%	0.824	S	S	*	*				105.3	121	122	0	0	0	0	0	118.7
243	N	25.9	Very low	25.4	Very low	160 Å²	160	152.6 Å²	152.6	86%	0.856	83%	0.831	S	S	*	*			trans	90.1	109.7	149.7	-66.7	-10.2	0	0	0	121.7
244	K	26.6	Very low	25.1	Very low	191 Å²	191	157.3 Å²	157.3	83%	0.83	84%	0.844	S	S	*	*				37.4	117.7	122.9	-79.4	-178.3	173.2	-178	0	120.4
245	M	24.3	Very low	25.1	Very low	186 Å²	186	155 Å²	155	92%	0.916	84%	0.839	S	S	*	*				50.1	114.6	124.7	-106.2	176.9	163.7	0	0	119.5
246	S	26.3	Very low	25.1	Very low	119 Å²	119	151.1 Å²	151.1	83%	0.832	84%	0.837	S	S	*	*				-170.4	129.3	123.5	46.1	0	0	0	0	112
247	E	22.9	Very low	25	Very low	189 Å²	189	150.1 Å²	150.1	88%	0.883	84%	0.837	S	S	*	*			trans	-67.7	151.3	161.9	-63.2	174.3	127.6	0	0	110.1
248	L	23.7	Very low	24.9	Very low	171 Å²	171	144.4 Å²	144.4	90%	0.895	83%	0.829	S	S	*	*			trans	-178.2	161.9	148.6	-97	169.9	0	0	0	109.1
249	P	26.2	Very low	25.1	Very low	107 Å²	107	146.7 Å²	146.7	70%	0.695	83%	0.828	S	S	*	*				-116.6	162.4	-126.4	35.1	-19.1	0	0	0	114.8	Q251	P249-Q251 PolarHBondContact O-N 3.31Å
250	S	24.3	Very low	25	Very low	117 Å²	117	146.6 Å²	146.6	82%	0.818	82%	0.82	S	S	*	*			trans	-59.2	121.6	171.6	-52.9	0	0	0	0	112
251	Q	25.1	Very low	25	Very low	184 Å²	184	149 Å²	149	86%	0.86	82%	0.819	S	S	*	*			trans	-87.6	103.6	167.1	-76	180	-9.1	0	0	109.5	P249	P249-Q251 PolarHBondContact O-N 3.31Å
252	D	25.2	Very low	25.1	Very low	153 Å²	153	154.2 Å²	154.2	82%	0.818	82%	0.817	S	S	*	*			trans	-75.1	120	163.6	-85.3	-35.8	0	0	0	109.6	H254	D252-H254 PolarHBondContact O-N 2.89Å
253	R	27.2	Very low	25.2	Very low	232 Å²	232	162.5 Å²	162.5	88%	0.875	83%	0.826	S	S	*	*			trans	-80	107.8	170.3	-73	-175.5	172.8	-170.7	-2.2	109
254	H	23.6	Very low	25.2	Very low	185 Å²	185	160.3 Å²	160.3	86%	0.856	81%	0.814	S	S	*	*			trans	-61.9	126.9	159.9	-91.8	-94.3	0	0	0	110.1	D252	D252-H254 PolarHBondContact O-N 2.89Å
255	I	26.1	Very low	25.1	Very low	146 Å²	146	156.8 Å²	156.8	75%	0.749	81%	0.81	S	S	*	*			trans	-121.7	109.6	161.8	-61	177.7	0	0	0	106.9
256	S	25	Very low	25.1	Very low	116 Å²	116	154.7 Å²	154.7	81%	0.811	81%	0.808	S	S	*	*			trans	-65.2	134.4	166	-72.6	0	0	0	0	109.9
257	L	25.8	Very low	25.1	Very low	169 Å²	169	158.4 Å²	158.4	89%	0.885	81%	0.812	S	S	*	*			trans	-116.5	110	164.9	-139.1	87.2	0	0	0	109.5
258	A	24.8	Very low	25.3	Very low	93 Å²	93	157.5 Å²	157.5	77%	0.769	81%	0.808	S	S	*	*			trans	-77.7	146.3	168.5	0	0	0	0	0	110.4
259	T	26.6	Very low	25.2	Very low	124 Å²	124	155.1 Å²	155.1	76%	0.761	81%	0.805	S	S	*	*			trans	-58.3	140	-178.1	-32.5	0	0	0	0	113.4
260	F	23.2	Very low	25.3	Very low	166 Å²	166	155.1 Å²	155.1	73%	0.728	80%	0.803	S	S	*	*			trans	-142.1	103.8	157.8	-151.4	-103.4	0	0	0	111	R262	F260-R262 HydrophobicContact CD1-CG 4.2Å; F260-R262 HydrophobicContact CE1-CG 3.76Å
261	N	25.4	Very low	25.2	Very low	148 Å²	148	157.5 Å²	157.5	79%	0.791	81%	0.806	S	S	*	*			trans	-81.8	126.3	170.5	-83.5	-41.1	0	0	0	109.4
262	R	26.3	Very low	25.2	Very low	214 Å²	214	156.6 Å²	156.6	81%	0.808	80%	0.801	S	S	*	*			trans	-136.4	128.3	158.6	-89.7	-166.8	177.2	-169.7	-0.2	112.4	F260	F260-R262 HydrophobicContact CD1-CG 4.2Å; F260-R262 HydrophobicContact CE1-CG 3.76Å
263	R	24.5	Very low	25.2	Very low	242 Å²	242	155.2 Å²	155.2	91%	0.913	80%	0.804	S	S	*	*			trans	-64.5	145.4	168.5	-73.2	175.7	-176.9	168	2.1	110.6
264	I	26.1	Very low	25.2	Very low	115 Å²	115	152.9 Å²	152.9	59%	0.59	80%	0.802	S	S	*	*			trans	-111.4	131.6	162.9	-60.1	178.7	0	0	0	107.9	F302	I264-F302 HydrophobicContact CD1-CD1 4.48Å; I264-F302 HydrophobicContact CD1-CD2 4.03Å; I264-F302 HydrophobicContact CD1-CE1 4.22Å; I264-F302 HydrophobicContact CD1-CE2 3.75Å; I264-F302 HydrophobicContact CD1-CG 4.38Å; I264-F302 HydrophobicContact CD1-CZ 3.86Å
265	P	25.7	Very low	25.4	Very low	117 Å²	117	153.1 Å²	153.1	76%	0.76	80%	0.804	S	S	*	*			trans	-81.2	148.3	169.7	-0.4	18.9	0	0	0	111.4
266	T	24.3	Very low	25.4	Very low	141 Å²	141	151.7 Å²	151.7	87%	0.865	81%	0.807	S	S	*	*			trans	-110.9	126.8	169.7	24	0	0	0	0	109.3
267	E	24.6	Very low	26	Very low	197 Å²	197	155.6 Å²	155.6	92%	0.921	81%	0.812	S	S	*	*			trans	-103.9	152.7	165	-77.8	-155.3	150.8	0	0	111.5
268	H	27.4	Very low	26.2	Very low	171 Å²	171	151.1 Å²	151.1	79%	0.792	81%	0.807	S	S	*	*			trans	-63	153.6	-179.5	-103.8	-118	0	0	0	115
269	S	22.8	Very low	26.8	Very low	121 Å²	121	152.3 Å²	152.3	85%	0.846	81%	0.81	S	S	*	*				-167.9	151.3	113.5	58.1	0	0	0	0	112.3
270	V	26.5	Very low	27	Very low	106 Å²	106	156.1 Å²	156.1	64%	0.642	82%	0.816	S	S	*	*			trans	-87.5	154.1	-167.1	169.6	0	0	0	0	110.9
271	L	22.9	Very low	28.1	Very low	168 Å²	168	153.5 Å²	153.5	88%	0.88	82%	0.818	S	S	*	*				-174.1	131.6	129.2	-95.3	161.6	0	0	0	112.2
272	E	26	Very low	28.5	Very low	165 Å²	165	154.4 Å²	154.4	77%	0.771	82%	0.82	S	S	*	*			trans	-67.5	151.7	174.5	-60.5	164.1	140.4	0	0	112
273	S	25.1	Very low	29.1	Very low	124 Å²	124	149.3 Å²	149.3	87%	0.867	81%	0.809	S	S	*	*			trans	-165.3	156.7	131.4	5.5	0	0	0	0	113.3
274	H	25.9	Very low	30	Very low	182 Å²	182	142.4 Å²	142.4	84%	0.843	80%	0.795	S	S	*	*			trans	-72	166.8	-166.1	-78.2	-103.8	0	0	0	117.1
275	E	29.1	Very low	30.9	Very low	190 Å²	190	143 Å²	143	89%	0.888	80%	0.799	S	S	*	*			trans	-60.6	147.3	-179.7	-51.3	175.7	131.8	0	0	115.3
276	S	26.3	Very low	31.4	Very low	116 Å²	116	142.1 Å²	142.1	81%	0.811	79%	0.788	S	S	*	*			trans	-160.7	130	133	78.7	0	0	0	0	112.9
277	E	37.3	Very low	32.6	Very low	199 Å²	199	138.7 Å²	138.7	93%	0.93	76%	0.764	S	S	*	*			trans	-20.2	151.4	170.9	-49.9	-168.9	164.5	0	0	121.9
278	G	28.6	Very low	33.7	Very low	75 Å²	75	133.7 Å²	133.7	77%	0.773	75%	0.747	S	S	*	*			trans	164.8	92.4	160	0	0	0	0	0	115.2	F280	G278-F280 PolarHBondContact O-N 2.89Å
279	S	37.7	Very low	34.4	Very low	118 Å²	118	132.9 Å²	132.9	83%	0.825	74%	0.744	S	S	*	*			trans	-69.4	114.7	165.1	166.8	0	0	0	0	110.4
280	F	32.1	Very low	35.1	Very low	204 Å²	204	133.9 Å²	133.9	90%	0.895	74%	0.735	S	S	*	*			trans	-145.5	121.6	158.4	-104.1	-86.4	0	0	0	109.4	G278	G278-F280 PolarHBondContact O-N 2.89Å
281	S	46.3	Very low	36.1	Very low	110 Å²	110	135.8 Å²	135.8	77%	0.769	73%	0.73	S	S	*	*			trans	-76.5	123.3	177.2	59.6	0	0	0	0	110.2
282	M	32.8	Very low	37.3	Very low	168 Å²	168	133.5 Å²	133.5	83%	0.828	72%	0.723	S	S	*	*			trans	-150.3	159.2	160.7	-80.2	-135	162.7	0	0	113.7
283	N	38.3	Very low	38.2	Very low	107 Å²	107	134 Å²	134	57%	0.572	73%	0.725	S	S	*	*			trans	-62.5	141.3	-158.2	-161.2	-39.1	0	0	0	115.1	N285 D286	N283-N285 PolarHBondContact O-N 2.91Å; N283-D286 PolarHBondContact O-N 2.99Å; N283-D286 VanDerWaalsContact O-N 3.15Å
284	P	44.8	Very low	39.2	Very low	96 Å²	96	131.8 Å²	131.8	62%	0.623	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.8	-18.7	-173.1	-27.8	34.6	0	0	0	117.4
285	N	44.8	Very low	40.4	Very low	127 Å²	127	127.5 Å²	127.5	68%	0.679	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.3	-29.3	178.3	-92.1	-8.6	0	0	0	113.6	N283 I287 T288	N283-N285 PolarHBondContact O-N 2.91Å; N285-I287 VanDerWaalsContact C-N 3.31Å; N285-T288 PolarHBondContact O-N 3.48Å; N285-T288 PolarHBondContact O-OG1 2.88Å
286	D	36.4	Very low	41.8	Very low	100 Å²	100	123.8 Å²	123.8	54%	0.535	70%	0.695	S	S	.	*	H	α-helix	trans	-73.3	-25.6	177	-90.4	-53.5	0	0	0	112.4	N283 T288 Q289 Q290	N283-D286 PolarHBondContact O-N 2.99Å; N283-D286 VanDerWaalsContact O-N 3.15Å; D286-T288 PolarHBondContact O-N 3.41Å; D286-Q289 PolarHBondContact O-N 3.42Å; D286-Q290 WeakPolarHBondContact O-CB 3.49Å; D286-Q290 PolarHBondContact O-N 3.18Å
287	I	48.7	Very low	43.3	Very low	68 Å²	68	126.9 Å²	126.9	35%	0.349	69%	0.693	S	S	.	*	H	α-helix	trans	-62.2	-27	175.3	-57.1	177.7	0	0	0	111.5	N285 R291	N285-I287 VanDerWaalsContact C-N 3.31Å; I287-R291 HydrophobicContact CG2-CG 4.3Å; I287-R291 WeakPolarHBondContact O-CB 3.3Å; I287-R291 VanDerWaalsContact O-CG 3.24Å; I287-R291 WeakPolarHBondContact O-CG 3.38Å; I287-R291 PolarHBondContact O-N 3.37Å
288	T	47.3	Very low	45.4	Very low	93 Å²	93	122.7 Å²	122.7	57%	0.571	68%	0.677	S	S	*	*	H	α-helix	trans	-80.8	-25.4	-177.3	63.5	0	0	0	0	114.4	N285 D286	N285-T288 PolarHBondContact O-N 3.48Å; N285-T288 PolarHBondContact O-OG1 2.88Å; D286-T288 PolarHBondContact O-N 3.41Å
289	Q	43.4	Very low	48	Very low	154 Å²	154	123.7 Å²	123.7	72%	0.72	66%	0.658	S	S	*	*	H	α-helix	trans	-91.8	-30.2	174.6	-71.1	-153.2	-18.7	0	0	112.6	D286	D286-Q289 PolarHBondContact O-N 3.42Å
290	Q	36.7	Very low	50.4	Low	142 Å²	142	124.2 Å²	124.2	66%	0.664	65%	0.647	S	S	*	*	H	α-helix	trans	-75.2	-29.6	-178.9	-146.8	169.4	1.2	0	0	113	D286 V292 H293	D286-Q290 WeakPolarHBondContact O-CB 3.49Å; D286-Q290 PolarHBondContact O-N 3.18Å; Q290-V292 PolarHBondContact O-N 3.48Å; Q290-H293 PolarHBondContact O-N 3.16Å
291	R	46.8	Very low	53.3	Low	145 Å²	145	114.5 Å²	114.5	55%	0.547	61%	0.605	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.5	-7.2	176.8	-79.7	-178.8	173.6	170	2.3	115.9	I287 E296	I287-R291 HydrophobicContact CG2-CG 4.3Å; I287-R291 WeakPolarHBondContact O-CB 3.3Å; I287-R291 VanDerWaalsContact O-CG 3.24Å; I287-R291 WeakPolarHBondContact O-CG 3.38Å; I287-R291 PolarHBondContact O-N 3.37Å; R291-E296 IonicContact NE-OE2 3.1Å
292	V	49.5	Very low	55.3	Low	120 Å²	120	117.2 Å²	117.2	73%	0.727	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.6	-17.7	174.4	-171.4	0	0	0	0	111.2	Q290	Q290-V292 PolarHBondContact O-N 3.48Å
293	H	44.3	Very low	58	Low	177 Å²	177	114.1 Å²	114.1	82%	0.819	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.5	-17.6	-178.9	-84.8	69.4	0	0	0	114.4	Q290	Q290-H293 PolarHBondContact O-N 3.16Å
294	T	45.8	Very low	60.6	Low	76 Å²	76	111.6 Å²	111.6	47%	0.466	58%	0.58	S	S	.	*	S	Bend	trans	-98.9	121.7	172.6	48.6	0	0	0	0	108	E296	T294-E296 PolarHBondContact O-N 3.44Å
295	G	52.1	Low	62.6	Low	93 Å²	93	109 Å²	109	96%	0.959	57%	0.57	S	S	*	*			trans	-64.2	60.8	-171.7	0	0	0	0	0	115.8
296	E	57.6	Low	64.7	Low	112 Å²	112	108.7 Å²	108.7	52%	0.523	56%	0.563	S	S	.	*			trans	-84.1	144.6	173.5	-66.7	-172.6	157	0	0	110.7	R291 T294 L298	R291-E296 IonicContact NE-OE2 3.1Å; T294-E296 PolarHBondContact O-N 3.44Å; E296-L298 PolarHBondContact O-N 3.22Å
297	K	58.3	Low	67.2	Low	181 Å²	181	106.4 Å²	106.4	79%	0.787	56%	0.558	S	S	*	*			trans	-56.9	106.6	-167.4	-166.7	173	-176.2	173.5	0	112.6
298	L	80.3	Confident	69.2	Low	110 Å²	110	105.3 Å²	105.3	58%	0.576	55%	0.551	S	S	*	*			trans	-79.3	135.4	173.5	-68.5	167.4	0	0	0	110.7	E296 E300 A307	E296-L298 PolarHBondContact O-N 3.22Å; L298-E300 PolarHBondContact O-N 2.93Å; L298-A307 HydrophobicContact CB-CB 3.92Å; L298-A307 HydrophobicContact CD1-CB 3.96Å; L298-A307 HydrophobicContact CD2-CB 4.26Å; L298-A307 HydrophobicContact CG-CB 4.26Å
299	Y	85.1	Confident	71.1	Confident	96 Å²	96	105.5 Å²	105.5	38%	0.376	56%	0.555	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-86.6	105.5	171.7	-62.7	-85.2	0	0	0	109.1	A307 F308 Q310 S311	Y299-A307 CarbonylContact O-C 3.53Å; Y299-F308 PolarHBondContact N-O 2.73Å; Y299-F308 PolarHBondContact O-N 3.33Å; Y299-Q310 VanDerWaalsContact CD2-C 3.49Å; Y299-S311 VanDerWaalsContact CD2-N 3.3Å
300	E	88	Confident	73.2	Confident	130 Å²	130	102.8 Å²	102.8	61%	0.607	54%	0.542	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.9	136.8	-177.7	-166.6	176.6	170.2	0	0	112.2	L298 F302 G305 K306	L298-E300 PolarHBondContact O-N 2.93Å; E300-F302 PolarHBondContact O-N 3.17Å; E300-G305 VanDerWaalsContact OE1-CA 3.31Å; E300-G305 WeakPolarHBondContact OE1-CA 3.48Å; E300-K306 CarbonylContact C-O 3.47Å; E300-K306 WeakPolarHBondContact CA-O 3.47Å
301	C	91.2	Very high	75.6	Confident	0 Å²	0	98.6 Å²	98.6	0%	0	53%	0.529	C	S	.	.			trans	-79.2	115.8	170.6	179.7	0	0	0	0	110.3	D303 C304 G305 K306 F308 L314 H317 H321	C301-D303 PolarHBondContact O-N 2.92Å; C301-C304 PolarHBondContact O-N 3.42Å; C301-G305 VanDerWaalsContact O-CA 3.29Å; C301-G305 WeakPolarHBondContact O-CA 3.22Å; C301-G305 PolarHBondContact O-N 3.05Å; C301-K306 PolarHBondContact N-O 3.31Å; C301-F308 HydrophobicContact CB-CE2 4.3Å; C301-L314 HydrophobicContact CB-CD1 3.53Å; C301-H317 VanDerWaalsContact SG-CD2 3.51Å; C301-H321 VanDerWaalsContact SG-CD2 3.53Å; C301-H321 PolarHBondContact SG-NE2 2.98Å
302	F	89.8	Confident	77.6	Confident	166 Å²	166	94.8 Å²	94.8	73%	0.728	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-34.1	179	-170.7	-98.6	0	0	0	113.7	I264 E300	I264-F302 HydrophobicContact CD1-CD1 4.48Å; I264-F302 HydrophobicContact CD1-CD2 4.03Å; I264-F302 HydrophobicContact CD1-CE1 4.22Å; I264-F302 HydrophobicContact CD1-CE2 3.75Å; I264-F302 HydrophobicContact CD1-CG 4.38Å; I264-F302 HydrophobicContact CD1-CZ 3.86Å; E300-F302 PolarHBondContact O-N 3.17Å
303	D	89.5	Confident	79.6	Confident	103 Å²	103	92.8 Å²	92.8	55%	0.551	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-24.3	-175.7	-56	-50	0	0	0	113.9	C301 H321	C301-D303 PolarHBondContact O-N 2.92Å; D303-H321 HydrophobicContact CB-CB 4.43Å; D303-H321 IonicContact OD2-CD2 2.92Å; D303-H321 PolarHBondContact OD2-CD2 3.11Å; D303-H321 VanDerWaalsContact OD2-CD2 3.3Å; D303-H321 IonicContact OD2-CG 3.06Å
304	C	91.8	Very high	81.9	Confident	55 Å²	55	85.2 Å²	85.2	37%	0.372	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-140.1	3.5	-173.8	78.8	0	0	0	0	115.7	C301 K306 H317	C301-C304 PolarHBondContact O-N 3.42Å; C304-K306 PolarHBondContact O-N 3.31Å; C304-K306 VanDerWaalsContact SG-CG 3.53Å; C304-H317 PolarHBondContact SG-NE2 3.17Å
305	G	86.8	Confident	83.9	Confident	40 Å²	40	86 Å²	86	41%	0.412	47%	0.471	S	S	.	.			trans	67.1	10	179.5	0	0	0	0	0	115.2	E300 C301 A307	E300-G305 VanDerWaalsContact OE1-CA 3.31Å; E300-G305 WeakPolarHBondContact OE1-CA 3.48Å; C301-G305 VanDerWaalsContact O-CA 3.29Å; C301-G305 WeakPolarHBondContact O-CA 3.22Å; C301-G305 PolarHBondContact O-N 3.05Å; G305-A307 PolarHBondContact O-N 2.83Å
306	K	88.7	Confident	85.8	Confident	121 Å²	121	86.3 Å²	86.3	53%	0.526	44%	0.444	S	S	.	.			trans	-75.8	125	-179.9	-74.7	-178.1	-176.9	-178.4	0	111	E300 C301 C304 F308	E300-K306 CarbonylContact C-O 3.47Å; E300-K306 WeakPolarHBondContact CA-O 3.47Å; C301-K306 PolarHBondContact N-O 3.31Å; C304-K306 PolarHBondContact O-N 3.31Å; C304-K306 VanDerWaalsContact SG-CG 3.53Å; K306-F308 HydrophobicContact CB-CE2 3.78Å; K306-F308 HydrophobicContact CB-CZ 3.97Å; K306-F308 WeakPolarHBondContact O-CD2 3.28Å; K306-F308 VanDerWaalsContact O-CE2 3.27Å; K306-F308 WeakPolarHBondContact O-CE2 3.4Å
307	A	90.3	Very high	87.5	Confident	53 Å²	53	81.9 Å²	81.9	44%	0.438	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	139.6	175.3	0	0	0	0	0	112.4	L298 Y299 G305	L298-A307 HydrophobicContact CB-CB 3.92Å; L298-A307 HydrophobicContact CD1-CB 3.96Å; L298-A307 HydrophobicContact CD2-CB 4.26Å; L298-A307 HydrophobicContact CG-CB 4.26Å; Y299-A307 CarbonylContact O-C 3.53Å; G305-A307 PolarHBondContact O-N 2.83Å
308	F	89.6	Confident	89	Confident	44 Å²	44	76.6 Å²	76.6	19%	0.193	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	140.7	176.4	-60.2	-88.5	0	0	0	110.2	Y299 C301 K306 Q310 K313 L314 H317	Y299-F308 PolarHBondContact N-O 2.73Å; Y299-F308 PolarHBondContact O-N 3.33Å; C301-F308 HydrophobicContact CB-CE2 4.3Å; K306-F308 HydrophobicContact CB-CE2 3.78Å; K306-F308 HydrophobicContact CB-CZ 3.97Å; K306-F308 WeakPolarHBondContact O-CD2 3.28Å; K306-F308 VanDerWaalsContact O-CE2 3.27Å; K306-F308 WeakPolarHBondContact O-CE2 3.4Å; F308-Q310 PolarHBondContact O-N 2.99Å; F308-K313 HydrophobicContact CB-CB 4.23Å; F308-K313 HydrophobicContact CD1-CB 3.91Å; F308-K313 HydrophobicContact CG-CB 4.32Å; F308-L314 HydrophobicContact CB-CB 4.26Å; F308-L314 HydrophobicContact CD2-CB 3.87Å; F308-L314 HydrophobicContact CD2-CD1 3.72Å; F308-L314 HydrophobicContact CD2-CG 4.4Å; F308-L314 HydrophobicContact CE2-CD1 3.91Å; F308-L314 HydrophobicContact CG-CB 4.24Å; F308-H317 HydrophobicContact CE1-CB 3.97Å; F308-H317 HydrophobicContact CE2-CB 3.76Å; F308-H317 AromaticContact CE2-CD2 3.53Å; F308-H317 AromaticContact CE2-CG 3.58Å; F308-H317 HydrophobicContact CZ-CB 3.39Å; F308-H317 AromaticContact CZ-CD2 3.6Å; F308-H317 AromaticContact CZ-CG 3.2Å; F308-H317 AromaticContact CZ-ND1 3.63Å
309	C	86.7	Confident	89.6	Confident	98 Å²	98	74.2 Å²	74.2	66%	0.662	38%	0.384	S	S	*	.	S	Bend	trans	-75.1	-5.8	175.5	58.4	0	0	0	0	113.9
310	Q	87.5	Confident	89.9	Confident	96 Å²	96	75.3 Å²	75.3	45%	0.449	40%	0.395	S	S	.	.	S	Bend	trans	-141.2	134.3	-178.1	-68.4	175.1	4.2	0	0	110.2	Y299 F308 S312 K313 L314	Y299-Q310 VanDerWaalsContact CD2-C 3.49Å; F308-Q310 PolarHBondContact O-N 2.99Å; Q310-S312 VanDerWaalsContact C-N 3.31Å; Q310-S312 PolarHBondContact O-N 2.92Å; Q310-K313 HydrophobicContact CB-CB 4.34Å; Q310-K313 HydrophobicContact CB-CG 3.79Å; Q310-K313 WeakPolarHBondContact O-CB 3.23Å; Q310-K313 PolarHBondContact O-N 3.09Å; Q310-K313 VanDerWaalsContact O-N 3.12Å; Q310-K313 VanDerWaalsContact OE1-CE 3.26Å; Q310-L314 PolarHBondContact O-N 3.37Å
311	S	88.7	Confident	90.1	Very high	55 Å²	55	72.9 Å²	72.9	39%	0.385	38%	0.384	S	S	.	.	H	α-helix	trans	-59.2	-40.2	177.7	60	0	0	0	0	112.2	Y299 K313 L314 I315	Y299-S311 VanDerWaalsContact CD2-N 3.3Å; S311-K313 PolarHBondContact O-N 2.88Å; S311-L314 WeakPolarHBondContact O-CA 3.5Å; S311-L314 WeakPolarHBondContact O-CB 3.28Å; S311-L314 PolarHBondContact O-N 3.43Å; S311-L314 VanDerWaalsContact O-N 3.08Å; S311-I315 WeakPolarHBondContact O-CG1 3.5Å; S311-I315 PolarHBondContact O-N 3.28Å
312	S	89	Confident	90.1	Very high	64 Å²	64	76.9 Å²	76.9	45%	0.448	41%	0.409	S	S	.	.	H	α-helix	trans	-59.7	-33.9	177.3	65.4	0	0	0	0	112.9	Q310 R316	Q310-S312 VanDerWaalsContact C-N 3.31Å; Q310-S312 PolarHBondContact O-N 2.92Å; S312-R316 WeakPolarHBondContact O-CB 3.3Å; S312-R316 PolarHBondContact O-N 3.05Å
313	K	90.8	Very high	90.2	Very high	78 Å²	78	71.3 Å²	71.3	34%	0.339	40%	0.398	S	S	.	.	H	α-helix	trans	-73.7	-38.3	176	-57.5	-68.1	179.6	-172.2	0	111	F308 Q310 S311 R316 H317	F308-K313 HydrophobicContact CB-CB 4.23Å; F308-K313 HydrophobicContact CD1-CB 3.91Å; F308-K313 HydrophobicContact CG-CB 4.32Å; Q310-K313 HydrophobicContact CB-CB 4.34Å; Q310-K313 HydrophobicContact CB-CG 3.79Å; Q310-K313 WeakPolarHBondContact O-CB 3.23Å; Q310-K313 PolarHBondContact O-N 3.09Å; Q310-K313 VanDerWaalsContact O-N 3.12Å; Q310-K313 VanDerWaalsContact OE1-CE 3.26Å; S311-K313 PolarHBondContact O-N 2.88Å; K313-R316 VanDerWaalsContact CD-NH2 3.33Å; K313-H317 VanDerWaalsContact O-CB 3.3Å; K313-H317 WeakPolarHBondContact O-CB 3.43Å; K313-H317 PolarHBondContact O-N 3.15Å
314	L	91.6	Very high	90.3	Very high	19 Å²	19	71.8 Å²	71.8	10%	0.099	40%	0.397	C	S	.	.	H	α-helix	trans	-62.7	-49.6	172.2	173	62.5	0	0	0	111.2	C301 F308 Q310 S311 R316 H317 Q318	C301-L314 HydrophobicContact CB-CD1 3.53Å; F308-L314 HydrophobicContact CB-CB 4.26Å; F308-L314 HydrophobicContact CD2-CB 3.87Å; F308-L314 HydrophobicContact CD2-CD1 3.72Å; F308-L314 HydrophobicContact CD2-CG 4.4Å; F308-L314 HydrophobicContact CE2-CD1 3.91Å; F308-L314 HydrophobicContact CG-CB 4.24Å; Q310-L314 PolarHBondContact O-N 3.37Å; S311-L314 WeakPolarHBondContact O-CA 3.5Å; S311-L314 WeakPolarHBondContact O-CB 3.28Å; S311-L314 PolarHBondContact O-N 3.43Å; S311-L314 VanDerWaalsContact O-N 3.08Å; L314-R316 VanDerWaalsContact C-N 3.29Å; L314-R316 PolarHBondContact O-N 2.85Å; L314-H317 CarbonylContact O-C 3.2Å; L314-H317 WeakPolarHBondContact O-CA 3.41Å; L314-H317 WeakPolarHBondContact O-CB 2.93Å; L314-H317 PolarHBondContact O-N 3.49Å; L314-Q318 HydrophobicContact CD1-CG 4.18Å; L314-Q318 HydrophobicContact CG-CG 4.46Å; L314-Q318 WeakPolarHBondContact O-CG 3.21Å; L314-Q318 PolarHBondContact O-N 2.75Å
315	I	89.8	Confident	90.4	Very high	91 Å²	91	76.2 Å²	76.2	47%	0.467	41%	0.406	S	S	.	.	H	α-helix	trans	-58	-44.7	178.7	-66.1	169.5	0	0	0	110.4	S311 H317 Q318 R319	S311-I315 WeakPolarHBondContact O-CG1 3.5Å; S311-I315 PolarHBondContact O-N 3.28Å; I315-H317 VanDerWaalsContact C-N 3.3Å; I315-H317 PolarHBondContact O-N 3.24Å; I315-Q318 PolarHBondContact O-N 3.27Å; I315-R319 PolarHBondContact O-N 3.25Å
316	R	91.6	Very high	90.7	Very high	101 Å²	101	77.9 Å²	77.9	38%	0.381	41%	0.409	S	S	.	.	H	α-helix	trans	-62	-39.2	174.1	177.7	175	69.1	169.5	12.2	112.4	S312 K313 L314 R319 L338	S312-R316 WeakPolarHBondContact O-CB 3.3Å; S312-R316 PolarHBondContact O-N 3.05Å; K313-R316 VanDerWaalsContact CD-NH2 3.33Å; L314-R316 VanDerWaalsContact C-N 3.29Å; L314-R316 PolarHBondContact O-N 2.85Å; R316-R319 WeakPolarHBondContact O-CB 3.19Å; R316-R319 PolarHBondContact O-N 2.95Å; R316-L338 HydrophobicContact CG-CD2 3.78Å
317	H	92.1	Very high	91	Very high	19 Å²	19	76 Å²	76	9%	0.088	40%	0.399	C	S	.	.	H	α-helix	trans	-66.1	-39.7	177.5	173.1	70.6	0	0	0	111.9	C301 C304 F308 K313 L314 I315 R319 I320 H321	C301-H317 VanDerWaalsContact SG-CD2 3.51Å; C304-H317 PolarHBondContact SG-NE2 3.17Å; F308-H317 HydrophobicContact CE1-CB 3.97Å; F308-H317 HydrophobicContact CE2-CB 3.76Å; F308-H317 AromaticContact CE2-CD2 3.53Å; F308-H317 AromaticContact CE2-CG 3.58Å; F308-H317 HydrophobicContact CZ-CB 3.39Å; F308-H317 AromaticContact CZ-CD2 3.6Å; F308-H317 AromaticContact CZ-CG 3.2Å; F308-H317 AromaticContact CZ-ND1 3.63Å; K313-H317 VanDerWaalsContact O-CB 3.3Å; K313-H317 WeakPolarHBondContact O-CB 3.43Å; K313-H317 PolarHBondContact O-N 3.15Å; L314-H317 CarbonylContact O-C 3.2Å; L314-H317 WeakPolarHBondContact O-CA 3.41Å; L314-H317 WeakPolarHBondContact O-CB 2.93Å; L314-H317 PolarHBondContact O-N 3.49Å; I315-H317 VanDerWaalsContact C-N 3.3Å; I315-H317 PolarHBondContact O-N 3.24Å; H317-R319 PolarHBondContact O-N 2.91Å; H317-I320 VanDerWaalsContact O-CB 3.22Å; H317-I320 WeakPolarHBondContact O-CB 3.39Å; H317-I320 WeakPolarHBondContact O-CG1 3.4Å; H317-I320 PolarHBondContact O-N 3.41Å; H317-H321 AromaticContact NE2-NE2 3.29Å; H317-H321 PolarHBondContact NE2-NE2 3.04Å
318	Q	91.1	Very high	91.3	Very high	70 Å²	70	76.3 Å²	76.3	33%	0.327	40%	0.402	S	S	.	.	H	α-helix	trans	-58.2	-29.1	177.5	-74.6	171.8	-27	0	0	112.6	L314 I315 I320 H321 T322	L314-Q318 HydrophobicContact CD1-CG 4.18Å; L314-Q318 HydrophobicContact CG-CG 4.46Å; L314-Q318 WeakPolarHBondContact O-CG 3.21Å; L314-Q318 PolarHBondContact O-N 2.75Å; I315-Q318 PolarHBondContact O-N 3.27Å; Q318-I320 PolarHBondContact O-N 3.3Å; Q318-H321 PolarHBondContact O-N 2.74Å; Q318-T322 PolarHBondContact O-N 3.33Å; Q318-T322 PolarHBondContact O-OG1 3.26Å
319	R	92.6	Very high	91.6	Very high	59 Å²	59	74.3 Å²	74.3	22%	0.223	39%	0.394	C	S	.	.	H	α-helix	trans	-58.2	-21.2	172.8	-61.3	-177.8	-175.6	171.3	0.6	113.9	I315 R316 H317 T322 G323 E324 S337	I315-R319 PolarHBondContact O-N 3.25Å; R316-R319 WeakPolarHBondContact O-CB 3.19Å; R316-R319 PolarHBondContact O-N 2.95Å; H317-R319 PolarHBondContact O-N 2.91Å; R319-T322 WeakPolarHBondContact CA-OG1 3.41Å; R319-G323 WeakPolarHBondContact O-CA 3.42Å; R319-G323 PolarHBondContact O-N 2.97Å; R319-E324 HydrophobicContact CB-CB 4.46Å; R319-E324 HydrophobicContact CG-CB 4.33Å; R319-E324 PolarHBondContact O-N 3.25Å; R319-S337 PolarHBondContact NH1-O 2.82Å
320	I	91.5	Very high	91.9	Very high	119 Å²	119	79.6 Å²	79.6	61%	0.61	41%	0.405	S	S	*	.	H	α-helix	trans	-70.3	-36.9	174.8	-59	176.1	0	0	0	110.5	H317 Q318	H317-I320 VanDerWaalsContact O-CB 3.22Å; H317-I320 WeakPolarHBondContact O-CB 3.39Å; H317-I320 WeakPolarHBondContact O-CG1 3.4Å; H317-I320 PolarHBondContact O-N 3.41Å; Q318-I320 PolarHBondContact O-N 3.3Å
321	H	92.3	Very high	92.3	Very high	79 Å²	79	81.4 Å²	81.4	37%	0.366	41%	0.414	S	S	.	.	H	α-helix	trans	-81.4	-42.2	-179.9	-58.9	-55.1	0	0	0	111.9	C301 D303 H317 Q318 G323	C301-H321 VanDerWaalsContact SG-CD2 3.53Å; C301-H321 PolarHBondContact SG-NE2 2.98Å; D303-H321 HydrophobicContact CB-CB 4.43Å; D303-H321 IonicContact OD2-CD2 2.92Å; D303-H321 PolarHBondContact OD2-CD2 3.11Å; D303-H321 VanDerWaalsContact OD2-CD2 3.3Å; D303-H321 IonicContact OD2-CG 3.06Å; H317-H321 AromaticContact NE2-NE2 3.29Å; H317-H321 PolarHBondContact NE2-NE2 3.04Å; Q318-H321 PolarHBondContact O-N 2.74Å; H321-G323 VanDerWaalsContact C-N 3.26Å; H321-G323 PolarHBondContact O-N 2.98Å
322	T	90.8	Very high	92.6	Very high	85 Å²	85	81.4 Å²	81.4	52%	0.521	41%	0.413	S	S	.	.	H	α-helix	trans	-74.7	-19.1	177.9	63.8	0	0	0	0	112.8	Q318 R319 E324	Q318-T322 PolarHBondContact O-N 3.33Å; Q318-T322 PolarHBondContact O-OG1 3.26Å; R319-T322 WeakPolarHBondContact CA-OG1 3.41Å; T322-E324 PolarHBondContact O-N 3.04Å; T322-E324 WeakPolarHBondContact OG1-CG 3.25Å; T322-E324 PolarHBondContact OG1-N 3.13Å
323	G	90.9	Very high	92.7	Very high	48 Å²	48	81.1 Å²	81.1	50%	0.495	42%	0.42	S	S	.	.			trans	71.4	9.6	-174.4	0	0	0	0	0	113.7	R319 H321 R325	R319-G323 WeakPolarHBondContact O-CA 3.42Å; R319-G323 PolarHBondContact O-N 2.97Å; H321-G323 VanDerWaalsContact C-N 3.26Å; H321-G323 PolarHBondContact O-N 2.98Å; G323-R325 WeakPolarHBondContact O-CG 3.49Å; G323-R325 PolarHBondContact O-N 3.07Å
324	E	92.9	Very high	92.9	Very high	114 Å²	114	83.5 Å²	83.5	53%	0.533	43%	0.431	S	S	.	.			trans	-62.4	125.7	179.6	-77.5	-179.6	-174	0	0	111.8	R319 T322	R319-E324 HydrophobicContact CB-CB 4.46Å; R319-E324 HydrophobicContact CG-CB 4.33Å; R319-E324 PolarHBondContact O-N 3.25Å; T322-E324 PolarHBondContact O-N 3.04Å; T322-E324 WeakPolarHBondContact OG1-CG 3.25Å; T322-E324 PolarHBondContact OG1-N 3.13Å
325	R	93.3	Very high	93.1	Very high	147 Å²	147	83.8 Å²	83.8	56%	0.555	44%	0.436	S	S	*	.			trans	-131	78.9	179.4	-65.7	172.1	83	148.4	3.6	109.2	G323 Y327 A335 F336	G323-R325 WeakPolarHBondContact O-CG 3.49Å; G323-R325 PolarHBondContact O-N 3.07Å; R325-Y327 PolarHBondContact O-N 3.35Å; R325-Y327 VanDerWaalsContact O-N 3.14Å; R325-A335 HydrophobicContact CB-CB 3.52Å; R325-A335 PolarHBondContact NE-O 3.2Å; R325-A335 PolarHBondContact NH2-O 3.23Å; R325-A335 WeakPolarHBondContact O-CB 3.17Å; R325-F336 CarbonylContact C-O 3.21Å; R325-F336 VanDerWaalsContact CA-O 3.28Å; R325-F336 WeakPolarHBondContact CA-O 3.37Å
326	P	92.8	Very high	93.3	Very high	75 Å²	75	81 Å²	81	49%	0.487	42%	0.42	S	S	.	.			trans	-64.8	-19.8	-171.8	-23.3	35.1	0	0	0	114.4
327	Y	95.9	Very high	93.4	Very high	81 Å²	81	77.9 Å²	77.9	32%	0.318	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	93.6	-170	-54.3	-76.5	0	0	0	111	R325 A335 F336 S339	R325-Y327 PolarHBondContact O-N 3.35Å; R325-Y327 VanDerWaalsContact O-N 3.14Å; Y327-A335 CarbonylContact O-C 3.39Å; Y327-A335 VanDerWaalsContact O-CA 3.3Å; Y327-A335 WeakPolarHBondContact O-CA 3.29Å; Y327-F336 WeakPolarHBondContact CD2-O 3.47Å; Y327-F336 PolarHBondContact N-O 3.48Å; Y327-F336 VanDerWaalsContact N-O 3.08Å; Y327-F336 PolarHBondContact O-N 2.81Å; Y327-S339 VanDerWaalsContact CD2-N 3.29Å
328	A	95.7	Very high	93.4	Very high	60 Å²	60	78.9 Å²	78.9	50%	0.496	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	134.9	179.7	0	0	0	0	0	113.3	A335	A328-A335 HydrophobicContact CB-CB 4.42Å
329	C	96.1	Very high	93.5	Very high	3 Å²	3	78.4 Å²	78.4	2%	0.02	42%	0.424	C	S	.	.			trans	-73.9	122.7	167.8	-179.7	0	0	0	0	109.7	E331 G333 K334 L342	C329-E331 VanDerWaalsContact C-N 3.26Å; C329-E331 PolarHBondContact O-N 3.01Å; C329-G333 WeakPolarHBondContact O-CA 3.38Å; C329-G333 PolarHBondContact O-N 3.05Å; C329-K334 VanDerWaalsContact CB-O 3.25Å; C329-K334 WeakPolarHBondContact CB-O 3.39Å; C329-K334 PolarHBondContact N-O 2.76Å; C329-L342 HydrophobicContact CB-CD1 3.71Å
330	K	93.9	Very high	93.5	Very high	209 Å²	209	79 Å²	79	91%	0.909	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-26.3	179.2	-64	-175.4	-179.9	-179.2	0	113.3
331	E	94.2	Very high	93.5	Very high	133 Å²	133	75 Å²	75	62%	0.621	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-39.6	-174.8	-65.9	-173.9	-139.9	0	0	114	C329 H349	C329-E331 VanDerWaalsContact C-N 3.26Å; C329-E331 PolarHBondContact O-N 3.01Å; E331-H349 IonicContact OE1-CG 3.95Å; E331-H349 WeakPolarHBondContact OE2-CB 3.35Å; E331-H349 IonicContact OE2-CE1 3.76Å; E331-H349 IonicContact OE2-CG 3.03Å; E331-H349 IonicContact OE2-ND1 2.85Å; E331-H349 PolarHBondContact OE2-ND1 2.75Å
332	C	95.1	Very high	93.7	Very high	55 Å²	55	72.3 Å²	72.3	37%	0.372	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.3	4.2	-178.6	69.5	0	0	0	0	114.5	K334 H345	C332-K334 PolarHBondContact O-N 3.18Å; C332-H345 PolarHBondContact SG-NE2 3.42Å
333	G	92.6	Very high	93.8	Very high	58 Å²	58	72 Å²	72	60%	0.598	40%	0.404	S	S	*	.			trans	69.4	-3.3	-179.5	0	0	0	0	0	115	C329 A335	C329-G333 WeakPolarHBondContact O-CA 3.38Å; C329-G333 PolarHBondContact O-N 3.05Å; G333-A335 PolarHBondContact O-N 3.31Å
334	K	95.1	Very high	93.8	Very high	129 Å²	129	76.3 Å²	76.3	56%	0.561	41%	0.405	S	S	*	.			trans	-66.3	124.2	179.5	-73.7	-178.8	-179.6	175.6	0	110.6	C329 C332 F336	C329-K334 VanDerWaalsContact CB-O 3.25Å; C329-K334 WeakPolarHBondContact CB-O 3.39Å; C329-K334 PolarHBondContact N-O 2.76Å; C332-K334 PolarHBondContact O-N 3.18Å; K334-F336 HydrophobicContact CB-CE2 4.1Å; K334-F336 HydrophobicContact CB-CZ 4.2Å; K334-F336 VanDerWaalsContact O-CE2 3.31Å; K334-F336 WeakPolarHBondContact O-CE2 3.32Å
335	A	95.3	Very high	93.9	Very high	25 Å²	25	71.8 Å²	71.8	21%	0.207	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	156.7	177.9	0	0	0	0	0	112.7	R325 Y327 A328 G333	R325-A335 HydrophobicContact CB-CB 3.52Å; R325-A335 PolarHBondContact NE-O 3.2Å; R325-A335 PolarHBondContact NH2-O 3.23Å; R325-A335 WeakPolarHBondContact O-CB 3.17Å; Y327-A335 CarbonylContact O-C 3.39Å; Y327-A335 VanDerWaalsContact O-CA 3.3Å; Y327-A335 WeakPolarHBondContact O-CA 3.29Å; A328-A335 HydrophobicContact CB-CB 4.42Å; G333-A335 PolarHBondContact O-N 3.31Å
336	F	94.6	Very high	93.9	Very high	32 Å²	32	68.7 Å²	68.7	14%	0.14	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	150.1	179.7	-60.5	-89.2	0	0	0	110.2	R325 Y327 K334 L338 D341 L342 H345	R325-F336 CarbonylContact C-O 3.21Å; R325-F336 VanDerWaalsContact CA-O 3.28Å; R325-F336 WeakPolarHBondContact CA-O 3.37Å; Y327-F336 WeakPolarHBondContact CD2-O 3.47Å; Y327-F336 PolarHBondContact N-O 3.48Å; Y327-F336 VanDerWaalsContact N-O 3.08Å; Y327-F336 PolarHBondContact O-N 2.81Å; K334-F336 HydrophobicContact CB-CE2 4.1Å; K334-F336 HydrophobicContact CB-CZ 4.2Å; K334-F336 VanDerWaalsContact O-CE2 3.31Å; K334-F336 WeakPolarHBondContact O-CE2 3.32Å; F336-L338 VanDerWaalsContact C-N 3.28Å; F336-D341 HydrophobicContact CB-CB 4.11Å; F336-D341 HydrophobicContact CD1-CB 3.86Å; F336-D341 HydrophobicContact CG-CB 4.19Å; F336-L342 HydrophobicContact CB-CB 4.38Å; F336-L342 HydrophobicContact CD2-CB 3.86Å; F336-L342 HydrophobicContact CD2-CD1 3.87Å; F336-L342 HydrophobicContact CD2-CG 4.47Å; F336-L342 HydrophobicContact CE2-CD1 4.02Å; F336-L342 HydrophobicContact CG-CB 4.33Å; F336-H345 HydrophobicContact CE1-CB 4.02Å; F336-H345 HydrophobicContact CE2-CB 3.74Å; F336-H345 AromaticContact CE2-CD2 3.41Å; F336-H345 VanDerWaalsContact CE2-CD2 3.41Å; F336-H345 WeakPolarHBondContact CE2-CD2 3.4Å; F336-H345 AromaticContact CE2-CG 3.53Å; F336-H345 HydrophobicContact CZ-CB 3.41Å; F336-H345 VanDerWaalsContact CZ-CB 3.41Å; F336-H345 AromaticContact CZ-CD2 3.54Å; F336-H345 AromaticContact CZ-CG 3.19Å; F336-H345 AromaticContact CZ-ND1 3.59Å
337	S	92.8	Very high	94	Very high	36 Å²	36	67.7 Å²	67.7	25%	0.252	36%	0.362	S	S	.	.	S	Bend	trans	-78.7	-15.3	175.7	55.4	0	0	0	0	112.6	R319	R319-S337 PolarHBondContact NH1-O 2.82Å
338	L	92.4	Very high	93.9	Very high	39 Å²	39	67.9 Å²	67.9	20%	0.204	37%	0.368	C	S	.	.	S	Bend	trans	-129.1	142.9	177.8	-64.3	172.4	0	0	0	112	R316 F336 D341 L342	R316-L338 HydrophobicContact CG-CD2 3.78Å; F336-L338 VanDerWaalsContact C-N 3.28Å; L338-D341 HydrophobicContact CB-CB 4.25Å; L338-D341 PolarHBondContact O-N 3.3Å; L338-L342 PolarHBondContact O-N 3.19Å
339	S	93.3	Very high	93.8	Very high	61 Å²	61	68.1 Å²	68.1	43%	0.427	36%	0.358	S	S	.	.	H	α-helix	trans	-64.2	-40.9	175.5	54.6	0	0	0	0	111.9	Y327 D341 L342 V343	Y327-S339 VanDerWaalsContact CD2-N 3.29Å; S339-D341 PolarHBondContact O-N 2.84Å; S339-L342 WeakPolarHBondContact O-CB 3.15Å; S339-L342 PolarHBondContact O-N 3.08Å; S339-L342 VanDerWaalsContact O-N 3.09Å; S339-V343 WeakPolarHBondContact O-CG2 3.46Å; S339-V343 PolarHBondContact O-N 3.29Å
340	S	91.3	Very high	93.6	Very high	70 Å²	70	71.2 Å²	71.2	49%	0.49	38%	0.38	S	S	.	.	H	α-helix	trans	-61.9	-32.9	177.7	56.8	0	0	0	0	112.9	R344	S340-R344 WeakPolarHBondContact O-CB 3.31Å; S340-R344 PolarHBondContact O-N 3.3Å
341	D	93.1	Very high	93.5	Very high	37 Å²	37	63 Å²	63	20%	0.198	35%	0.354	C	S	.	.	H	α-helix	trans	-70.6	-37.9	174.7	-71.2	-29.3	0	0	0	111.6	F336 L338 S339 R344 H345	F336-D341 HydrophobicContact CB-CB 4.11Å; F336-D341 HydrophobicContact CD1-CB 3.86Å; F336-D341 HydrophobicContact CG-CB 4.19Å; L338-D341 HydrophobicContact CB-CB 4.25Å; L338-D341 PolarHBondContact O-N 3.3Å; S339-D341 PolarHBondContact O-N 2.84Å; D341-R344 IonicContact OD1-CZ 3.16Å; D341-R344 IonicContact OD1-NH1 3.61Å; D341-R344 IonicContact OD1-NH2 3.76Å; D341-R344 PolarHBondContact OD1-NH2 2.83Å; D341-H345 WeakPolarHBondContact O-CB 3.49Å; D341-H345 PolarHBondContact O-N 3.31Å
342	L	95.2	Very high	93.5	Very high	22 Å²	22	62.2 Å²	62.2	12%	0.115	35%	0.351	C	S	.	.	H	α-helix	trans	-62.8	-47.8	172.3	172.2	61.8	0	0	0	111.2	C329 F336 L338 S339 R344 H345 Q346	C329-L342 HydrophobicContact CB-CD1 3.71Å; F336-L342 HydrophobicContact CB-CB 4.38Å; F336-L342 HydrophobicContact CD2-CB 3.86Å; F336-L342 HydrophobicContact CD2-CD1 3.87Å; F336-L342 HydrophobicContact CD2-CG 4.47Å; F336-L342 HydrophobicContact CE2-CD1 4.02Å; F336-L342 HydrophobicContact CG-CB 4.33Å; L338-L342 PolarHBondContact O-N 3.19Å; S339-L342 WeakPolarHBondContact O-CB 3.15Å; S339-L342 PolarHBondContact O-N 3.08Å; S339-L342 VanDerWaalsContact O-N 3.09Å; L342-R344 VanDerWaalsContact C-N 3.34Å; L342-R344 PolarHBondContact O-N 3.12Å; L342-H345 CarbonylContact O-C 3.2Å; L342-H345 WeakPolarHBondContact O-CA 3.47Å; L342-H345 WeakPolarHBondContact O-CB 3.44Å; L342-H345 PolarHBondContact O-N 2.96Å; L342-Q346 HydrophobicContact CD1-CG 4.29Å; L342-Q346 WeakPolarHBondContact O-CG 3.43Å; L342-Q346 PolarHBondContact O-N 3.08Å
343	V	93.3	Very high	93.5	Very high	79 Å²	79	64.9 Å²	64.9	48%	0.479	36%	0.356	S	S	.	.	H	α-helix	trans	-59.7	-45.6	178.1	172.7	0	0	0	0	110.8	S339 H345 Q346	S339-V343 WeakPolarHBondContact O-CG2 3.46Å; S339-V343 PolarHBondContact O-N 3.29Å; V343-H345 VanDerWaalsContact C-N 3.27Å; V343-H345 PolarHBondContact O-N 2.89Å; V343-Q346 PolarHBondContact O-N 2.92Å
344	R	92.1	Very high	93.5	Very high	138 Å²	138	65.7 Å²	65.7	52%	0.521	35%	0.351	S	S	.	.	H	α-helix	trans	-62.5	-36.9	174.8	-175.4	177	62.5	-152.6	-9.2	111.8	S340 D341 L342 R347	S340-R344 WeakPolarHBondContact O-CB 3.31Å; S340-R344 PolarHBondContact O-N 3.3Å; D341-R344 IonicContact OD1-CZ 3.16Å; D341-R344 IonicContact OD1-NH1 3.61Å; D341-R344 IonicContact OD1-NH2 3.76Å; D341-R344 PolarHBondContact OD1-NH2 2.83Å; L342-R344 VanDerWaalsContact C-N 3.34Å; L342-R344 PolarHBondContact O-N 3.12Å; R344-R347 WeakPolarHBondContact O-CB 3.38Å; R344-R347 PolarHBondContact O-N 3.37Å
345	H	94.3	Very high	93.5	Very high	18 Å²	18	63.4 Å²	63.4	8%	0.083	34%	0.339	C	S	.	.	H	α-helix	trans	-67.7	-35.6	176.7	170.8	71.7	0	0	0	112.7	C332 F336 D341 L342 V343 R347 I348 H349	C332-H345 PolarHBondContact SG-NE2 3.42Å; F336-H345 HydrophobicContact CE1-CB 4.02Å; F336-H345 HydrophobicContact CE2-CB 3.74Å; F336-H345 AromaticContact CE2-CD2 3.41Å; F336-H345 VanDerWaalsContact CE2-CD2 3.41Å; F336-H345 WeakPolarHBondContact CE2-CD2 3.4Å; F336-H345 AromaticContact CE2-CG 3.53Å; F336-H345 HydrophobicContact CZ-CB 3.41Å; F336-H345 VanDerWaalsContact CZ-CB 3.41Å; F336-H345 AromaticContact CZ-CD2 3.54Å; F336-H345 AromaticContact CZ-CG 3.19Å; F336-H345 AromaticContact CZ-ND1 3.59Å; D341-H345 WeakPolarHBondContact O-CB 3.49Å; D341-H345 PolarHBondContact O-N 3.31Å; L342-H345 CarbonylContact O-C 3.2Å; L342-H345 WeakPolarHBondContact O-CA 3.47Å; L342-H345 WeakPolarHBondContact O-CB 3.44Å; L342-H345 PolarHBondContact O-N 2.96Å; V343-H345 VanDerWaalsContact C-N 3.27Å; V343-H345 PolarHBondContact O-N 2.89Å; H345-R347 PolarHBondContact O-N 3.17Å; H345-I348 WeakPolarHBondContact O-CB 3.22Å; H345-I348 VanDerWaalsContact O-CG1 3.25Å; H345-I348 WeakPolarHBondContact O-CG1 3.41Å; H345-I348 PolarHBondContact O-N 2.72Å; H345-H349 AromaticContact CE1-NE2 3.95Å; H345-H349 AromaticContact NE2-CD2 3.95Å; H345-H349 AromaticContact NE2-NE2 3.49Å; H345-H349 PolarHBondContact NE2-NE2 3.34Å
346	Q	93.8	Very high	93.5	Very high	83 Å²	83	68 Å²	68	39%	0.388	36%	0.356	S	S	.	.	H	α-helix	trans	-59.7	-26.6	176.6	-75.3	171.7	-37.6	0	0	112.7	L342 V343 I348 H349 S350	L342-Q346 HydrophobicContact CD1-CG 4.29Å; L342-Q346 WeakPolarHBondContact O-CG 3.43Å; L342-Q346 PolarHBondContact O-N 3.08Å; V343-Q346 PolarHBondContact O-N 2.92Å; Q346-I348 PolarHBondContact O-N 2.8Å; Q346-H349 WeakPolarHBondContact O-CA 3.44Å; Q346-H349 WeakPolarHBondContact O-CB 3.1Å; Q346-H349 PolarHBondContact O-N 3.08Å; Q346-S350 PolarHBondContact O-N 3.07Å
347	R	94	Very high	93.6	Very high	53 Å²	53	66.6 Å²	66.6	20%	0.2	35%	0.35	C	S	.	.	H	α-helix	trans	-60.5	-17.2	170.8	-58.6	-180	-176.2	166.5	0.3	113.8	R344 H345 H349 S350 G351 E352 R365	R344-R347 WeakPolarHBondContact O-CB 3.38Å; R344-R347 PolarHBondContact O-N 3.37Å; H345-R347 PolarHBondContact O-N 3.17Å; R347-H349 VanDerWaalsContact C-N 3.3Å; R347-S350 WeakPolarHBondContact CA-OG 3.44Å; R347-G351 WeakPolarHBondContact O-CA 3.35Å; R347-G351 PolarHBondContact O-N 3.26Å; R347-G351 VanDerWaalsContact O-N 3.16Å; R347-E352 HydrophobicContact CG-CB 4.42Å; R347-R365 HydrophobicContact CB-CB 4.42Å; R347-R365 HydrophobicContact CB-CG 4.32Å; R347-R365 PolarHBondContact NH1-O 2.94Å; R347-R365 PolarHBondContact O-NE 3.29Å; R347-R365 PolarHBondContact O-NH2 3.05Å
348	I	93.4	Very high	93.6	Very high	86 Å²	86	71.3 Å²	71.3	44%	0.441	38%	0.382	S	S	.	.	H	α-helix	trans	-66.5	-39	172	-58.7	-175.1	0	0	0	111.2	H345 Q346 R365	H345-I348 WeakPolarHBondContact O-CB 3.22Å; H345-I348 VanDerWaalsContact O-CG1 3.25Å; H345-I348 WeakPolarHBondContact O-CG1 3.41Å; H345-I348 PolarHBondContact O-N 2.72Å; Q346-I348 PolarHBondContact O-N 2.8Å; I348-R365 VanDerWaalsContact CA-CZ 3.4Å; I348-R365 PolarHBondContact O-NH2 3.41Å
349	H	93.8	Very high	93.7	Very high	65 Å²	65	74 Å²	74	30%	0.301	39%	0.394	S	S	.	.	H	α-helix	trans	-83.3	-49.2	-176.4	-68.5	-80	0	0	0	112	E331 H345 Q346 R347 G351	E331-H349 IonicContact OE1-CG 3.95Å; E331-H349 WeakPolarHBondContact OE2-CB 3.35Å; E331-H349 IonicContact OE2-CE1 3.76Å; E331-H349 IonicContact OE2-CG 3.03Å; E331-H349 IonicContact OE2-ND1 2.85Å; E331-H349 PolarHBondContact OE2-ND1 2.75Å; H345-H349 AromaticContact CE1-NE2 3.95Å; H345-H349 AromaticContact NE2-CD2 3.95Å; H345-H349 AromaticContact NE2-NE2 3.49Å; H345-H349 PolarHBondContact NE2-NE2 3.34Å; Q346-H349 WeakPolarHBondContact O-CA 3.44Å; Q346-H349 WeakPolarHBondContact O-CB 3.1Å; Q346-H349 PolarHBondContact O-N 3.08Å; R347-H349 VanDerWaalsContact C-N 3.3Å; H349-G351 PolarHBondContact O-N 2.69Å
350	S	92.7	Very high	93.7	Very high	68 Å²	68	73.8 Å²	73.8	48%	0.476	39%	0.391	S	S	.	.	H	α-helix	trans	-70.4	-19.8	178.1	65.2	0	0	0	0	113.4	Q346 R347 E352	Q346-S350 PolarHBondContact O-N 3.07Å; R347-S350 WeakPolarHBondContact CA-OG 3.44Å; S350-E352 PolarHBondContact O-N 3.28Å; S350-E352 WeakPolarHBondContact OG-CG 3.49Å; S350-E352 PolarHBondContact OG-N 2.8Å
351	G	92.1	Very high	93.8	Very high	36 Å²	36	72.5 Å²	72.5	37%	0.371	39%	0.389	S	S	.	.			trans	76.2	-2.8	-175.3	0	0	0	0	0	114.3	R347 H349 K353	R347-G351 WeakPolarHBondContact O-CA 3.35Å; R347-G351 PolarHBondContact O-N 3.26Å; R347-G351 VanDerWaalsContact O-N 3.16Å; H349-G351 PolarHBondContact O-N 2.69Å; G351-K353 PolarHBondContact O-N 3.03Å
352	E	93.5	Very high	93.9	Very high	116 Å²	116	76.5 Å²	76.5	54%	0.542	41%	0.405	S	S	.	.			trans	-54.8	132.1	179.8	-74.9	177	-174.7	0	0	112.3	R347 S350 R365	R347-E352 HydrophobicContact CG-CB 4.42Å; S350-E352 PolarHBondContact O-N 3.28Å; S350-E352 WeakPolarHBondContact OG-CG 3.49Å; S350-E352 PolarHBondContact OG-N 2.8Å; E352-R365 WeakPolarHBondContact O-CG 3.48Å
353	K	93.9	Very high	93.9	Very high	112 Å²	112	77.1 Å²	77.1	49%	0.487	41%	0.412	S	S	.	.			trans	-132.1	79.9	179.4	-73.5	163.1	173.6	-175.9	0	109.8	G351 Y355 A363 F364 R365	G351-K353 PolarHBondContact O-N 3.03Å; K353-Y355 PolarHBondContact O-N 3.13Å; K353-Y355 VanDerWaalsContact O-N 3.09Å; K353-A363 HydrophobicContact CB-CB 3.54Å; K353-A363 HydrophobicContact CD-CB 4.17Å; K353-A363 WeakPolarHBondContact CD-O 3.34Å; K353-A363 HydrophobicContact CG-CB 4.45Å; K353-F364 CarbonylContact C-O 3.55Å; K353-F364 VanDerWaalsContact CA-O 3.23Å; K353-F364 WeakPolarHBondContact CA-O 3.21Å; K353-R365 HydrophobicContact CG-CG 3.96Å
354	P	93.1	Very high	93.9	Very high	75 Å²	75	75.2 Å²	75.2	49%	0.487	40%	0.398	S	S	.	.			trans	-67	-12.8	-172.3	-22.3	34.6	0	0	0	115
355	Y	95.5	Very high	93.9	Very high	80 Å²	80	72.2 Å²	72.2	31%	0.314	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	99.8	-171.5	-56.7	-79.7	0	0	0	110.8	K353 A363 F364 G366	K353-Y355 PolarHBondContact O-N 3.13Å; K353-Y355 VanDerWaalsContact O-N 3.09Å; Y355-A363 CarbonylContact O-C 3.54Å; Y355-A363 WeakPolarHBondContact O-CA 3.45Å; Y355-F364 PolarHBondContact N-O 3.04Å; Y355-F364 VanDerWaalsContact N-O 3.17Å; Y355-F364 PolarHBondContact O-N 3.48Å; Y355-G366 VanDerWaalsContact CD2-CA 3.47Å
356	E	96.1	Very high	93.8	Very high	122 Å²	122	71.9 Å²	71.9	57%	0.57	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.3	142.4	-179.6	-164.8	177.6	159.7	0	0	112.7	G361 A363 L370	E356-G361 WeakPolarHBondContact OE1-CA 3.37Å; E356-A363 HydrophobicContact CB-CB 4.49Å; E356-A363 HydrophobicContact CG-CB 4.47Å; E356-L370 WeakPolarHBondContact O-CD2 3.27Å
357	C	95.9	Very high	93.7	Very high	2 Å²	2	70.4 Å²	70.4	1%	0.014	39%	0.386	C	S	.	.			trans	-86.5	114.1	171.2	-175.4	0	0	0	0	110.7	E359 C360 G361 K362 F364 L370	C357-E359 PolarHBondContact O-N 3.19Å; C357-E359 VanDerWaalsContact O-N 3.09Å; C357-C360 PolarHBondContact O-N 3.26Å; C357-G361 VanDerWaalsContact O-CA 3.3Å; C357-G361 WeakPolarHBondContact O-CA 3.35Å; C357-G361 PolarHBondContact O-N 3.12Å; C357-K362 WeakPolarHBondContact CB-O 3.42Å; C357-K362 PolarHBondContact N-O 2.85Å; C357-F364 HydrophobicContact CB-CE2 4.35Å; C357-L370 HydrophobicContact CB-CD1 3.58Å
358	C	93.7	Very high	93.6	Very high	135 Å²	135	72.2 Å²	72.2	91%	0.912	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-20.5	178.7	-51.9	0	0	0	0	114.3
359	E	93.2	Very high	93.6	Very high	97 Å²	97	71.6 Å²	71.6	45%	0.453	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-25.5	-175.6	-61.4	173.4	-141.8	0	0	112.9	C357 R374 H377	C357-E359 PolarHBondContact O-N 3.19Å; C357-E359 VanDerWaalsContact O-N 3.09Å; E359-R374 IonicContact OE1-CZ 3.63Å; E359-R374 IonicContact OE1-NE 3.65Å; E359-R374 PolarHBondContact OE1-NE 3.47Å; E359-R374 IonicContact OE1-NH2 2.81Å; E359-R374 PolarHBondContact OE1-NH2 3.46Å; E359-H377 WeakPolarHBondContact OE2-CB 3.27Å; E359-H377 IonicContact OE2-CD2 2.75Å; E359-H377 PolarHBondContact OE2-CD2 2.67Å; E359-H377 IonicContact OE2-CG 3.05Å; E359-H377 IonicContact OE2-ND1 3.69Å
360	C	94.8	Very high	93.7	Very high	56 Å²	56	69.9 Å²	69.9	38%	0.378	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-141.1	7.2	-179	69.9	0	0	0	0	115.5	C357 K362 H373 H377	C357-C360 PolarHBondContact O-N 3.26Å; C360-K362 PolarHBondContact O-N 3.21Å; C360-K362 VanDerWaalsContact O-N 3.07Å; C360-H373 PolarHBondContact SG-NE2 2.93Å; C360-H377 PolarHBondContact SG-NE2 2.93Å; C360-H377 VanDerWaalsContact SG-NE2 3.37Å
361	G	92.7	Very high	93.7	Very high	42 Å²	42	71.5 Å²	71.5	43%	0.433	40%	0.398	S	S	.	.			trans	67.7	1.6	-179.2	0	0	0	0	0	114.9	E356 C357 A363	E356-G361 WeakPolarHBondContact OE1-CA 3.37Å; C357-G361 VanDerWaalsContact O-CA 3.3Å; C357-G361 WeakPolarHBondContact O-CA 3.35Å; C357-G361 PolarHBondContact O-N 3.12Å; G361-A363 PolarHBondContact O-N 3.04Å
362	K	94.8	Very high	93.8	Very high	122 Å²	122	74.6 Å²	74.6	53%	0.53	40%	0.398	S	S	.	.			trans	-71.3	124.7	-179.1	-74.2	-174.8	177.8	-177.4	0	110.7	C357 C360 F364	C357-K362 WeakPolarHBondContact CB-O 3.42Å; C357-K362 PolarHBondContact N-O 2.85Å; C360-K362 PolarHBondContact O-N 3.21Å; C360-K362 VanDerWaalsContact O-N 3.07Å; K362-F364 HydrophobicContact CB-CE2 4.03Å; K362-F364 HydrophobicContact CB-CZ 4.05Å; K362-F364 WeakPolarHBondContact O-CD2 3.27Å; K362-F364 WeakPolarHBondContact O-CE2 3.45Å
363	A	95.2	Very high	93.8	Very high	34 Å²	34	70.1 Å²	70.1	28%	0.281	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	145.1	179.2	0	0	0	0	0	113.4	K353 Y355 E356 G361	K353-A363 HydrophobicContact CB-CB 3.54Å; K353-A363 HydrophobicContact CD-CB 4.17Å; K353-A363 WeakPolarHBondContact CD-O 3.34Å; K353-A363 HydrophobicContact CG-CB 4.45Å; Y355-A363 CarbonylContact O-C 3.54Å; Y355-A363 WeakPolarHBondContact O-CA 3.45Å; E356-A363 HydrophobicContact CB-CB 4.49Å; E356-A363 HydrophobicContact CG-CB 4.47Å; G361-A363 PolarHBondContact O-N 3.04Å
364	F	94.1	Very high	93.8	Very high	40 Å²	40	70.1 Å²	70.1	18%	0.175	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	155.7	-175.1	-59.8	-84.8	0	0	0	112.2	K353 Y355 C357 K362 E369 L370 H373	K353-F364 CarbonylContact C-O 3.55Å; K353-F364 VanDerWaalsContact CA-O 3.23Å; K353-F364 WeakPolarHBondContact CA-O 3.21Å; Y355-F364 PolarHBondContact N-O 3.04Å; Y355-F364 VanDerWaalsContact N-O 3.17Å; Y355-F364 PolarHBondContact O-N 3.48Å; C357-F364 HydrophobicContact CB-CE2 4.35Å; K362-F364 HydrophobicContact CB-CE2 4.03Å; K362-F364 HydrophobicContact CB-CZ 4.05Å; K362-F364 WeakPolarHBondContact O-CD2 3.27Å; K362-F364 WeakPolarHBondContact O-CE2 3.45Å; F364-E369 HydrophobicContact CB-CB 4.01Å; F364-E369 HydrophobicContact CD1-CB 3.95Å; F364-E369 HydrophobicContact CG-CB 4.2Å; F364-L370 HydrophobicContact CB-CB 4.39Å; F364-L370 HydrophobicContact CD2-CB 3.89Å; F364-L370 HydrophobicContact CD2-CD1 3.81Å; F364-L370 HydrophobicContact CD2-CG 4.46Å; F364-L370 HydrophobicContact CE2-CD1 3.98Å; F364-L370 HydrophobicContact CG-CB 4.34Å; F364-H373 HydrophobicContact CE1-CB 3.88Å; F364-H373 HydrophobicContact CE2-CB 3.73Å; F364-H373 AromaticContact CE2-CD2 3.4Å; F364-H373 WeakPolarHBondContact CE2-CD2 3.32Å; F364-H373 AromaticContact CE2-CG 3.53Å; F364-H373 HydrophobicContact CZ-CB 3.36Å; F364-H373 AromaticContact CZ-CD2 3.44Å; F364-H373 VanDerWaalsContact CZ-CD2 3.44Å; F364-H373 WeakPolarHBondContact CZ-CD2 3.3Å; F364-H373 AromaticContact CZ-CE1 3.96Å; F364-H373 AromaticContact CZ-CG 3.11Å; F364-H373 AromaticContact CZ-ND1 3.49Å; F364-H373 WeakPolarHBondContact CZ-ND1 3.4Å; F364-H373 AromaticContact CZ-NE2 3.92Å
365	R	91.8	Very high	93.9	Very high	75 Å²	75	69.2 Å²	69.2	28%	0.283	36%	0.361	S	S	.	.	S	Bend	trans	-81.5	-22.1	-178.1	-65.8	179.6	171.3	157.3	-5.4	112.6	R347 I348 E352 K353 E369	R347-R365 HydrophobicContact CB-CB 4.42Å; R347-R365 HydrophobicContact CB-CG 4.32Å; R347-R365 PolarHBondContact NH1-O 2.94Å; R347-R365 PolarHBondContact O-NE 3.29Å; R347-R365 PolarHBondContact O-NH2 3.05Å; I348-R365 VanDerWaalsContact CA-CZ 3.4Å; I348-R365 PolarHBondContact O-NH2 3.41Å; E352-R365 WeakPolarHBondContact O-CG 3.48Å; K353-R365 HydrophobicContact CG-CG 3.96Å; R365-E369 PolarHBondContact N-OE2 3.45Å
366	G	91.4	Very high	93.8	Very high	10 Å²	10	71 Å²	71	10%	0.103	38%	0.375	C	S	.	.	S	Bend	trans	-137.3	148.8	178.3	0	0	0	0	0	113.5	Y355 S368 E369 L370	Y355-G366 VanDerWaalsContact CD2-CA 3.47Å; G366-S368 VanDerWaalsContact C-N 3.31Å; G366-S368 PolarHBondContact O-N 2.85Å; G366-E369 PolarHBondContact N-OE2 3.17Å; G366-E369 WeakPolarHBondContact O-CB 3.29Å; G366-E369 PolarHBondContact O-N 3.28Å; G366-E369 VanDerWaalsContact O-N 3.08Å; G366-L370 PolarHBondContact O-N 3.39Å
367	S	92.9	Very high	93.6	Very high	52 Å²	52	68.8 Å²	68.8	36%	0.364	36%	0.364	S	S	.	.	H	α-helix	trans	-59.6	-38.7	178.7	58.3	0	0	0	0	112.8	E369 L370 I371	S367-E369 PolarHBondContact O-N 3.22Å; S367-L370 WeakPolarHBondContact O-CB 3.31Å; S367-L370 PolarHBondContact O-N 3.49Å; S367-I371 WeakPolarHBondContact O-CG1 3.43Å; S367-I371 PolarHBondContact O-N 2.89Å
368	S	91.2	Very high	93.5	Very high	91 Å²	91	71.8 Å²	71.8	64%	0.636	38%	0.382	S	S	*	.	H	α-helix	trans	-63	-30.2	177.4	-46.4	0	0	0	0	112.8	G366 R372	G366-S368 VanDerWaalsContact C-N 3.31Å; G366-S368 PolarHBondContact O-N 2.85Å; S368-R372 VanDerWaalsContact O-CB 3.27Å; S368-R372 WeakPolarHBondContact O-CB 3.5Å; S368-R372 PolarHBondContact O-N 3.17Å; S368-R372 VanDerWaalsContact O-N 3.09Å
369	E	93.3	Very high	93.4	Very high	73 Å²	73	67.6 Å²	67.6	34%	0.341	36%	0.362	S	S	.	.	H	α-helix	trans	-73	-41.7	176	-56.4	-175.9	139.3	0	0	111.1	F364 R365 G366 S367 R372 H373	F364-E369 HydrophobicContact CB-CB 4.01Å; F364-E369 HydrophobicContact CD1-CB 3.95Å; F364-E369 HydrophobicContact CG-CB 4.2Å; R365-E369 PolarHBondContact N-OE2 3.45Å; G366-E369 PolarHBondContact N-OE2 3.17Å; G366-E369 WeakPolarHBondContact O-CB 3.29Å; G366-E369 PolarHBondContact O-N 3.28Å; G366-E369 VanDerWaalsContact O-N 3.08Å; S367-E369 PolarHBondContact O-N 3.22Å; E369-R372 PolarHBondContact O-N 3.34Å; E369-H373 WeakPolarHBondContact O-CB 3.46Å; E369-H373 PolarHBondContact O-N 3.04Å
370	L	95.1	Very high	93.4	Very high	29 Å²	29	68.2 Å²	68.2	15%	0.152	37%	0.365	C	S	.	.	H	α-helix	trans	-60.7	-50.1	173.1	173.1	60.9	0	0	0	111.2	E356 C357 F364 G366 S367 R372 H373 R374	E356-L370 WeakPolarHBondContact O-CD2 3.27Å; C357-L370 HydrophobicContact CB-CD1 3.58Å; F364-L370 HydrophobicContact CB-CB 4.39Å; F364-L370 HydrophobicContact CD2-CB 3.89Å; F364-L370 HydrophobicContact CD2-CD1 3.81Å; F364-L370 HydrophobicContact CD2-CG 4.46Å; F364-L370 HydrophobicContact CE2-CD1 3.98Å; F364-L370 HydrophobicContact CG-CB 4.34Å; G366-L370 PolarHBondContact O-N 3.39Å; S367-L370 WeakPolarHBondContact O-CB 3.31Å; S367-L370 PolarHBondContact O-N 3.49Å; L370-R372 VanDerWaalsContact C-N 3.27Å; L370-R372 PolarHBondContact O-N 3.18Å; L370-H373 CarbonylContact O-C 3.24Å; L370-H373 WeakPolarHBondContact O-CA 3.49Å; L370-H373 WeakPolarHBondContact O-CB 3.38Å; L370-H373 PolarHBondContact O-N 3.43Å; L370-R374 HydrophobicContact CD1-CG 4.25Å; L370-R374 WeakPolarHBondContact O-CG 3.43Å; L370-R374 PolarHBondContact O-N 3.43Å
371	I	93.5	Very high	93.4	Very high	102 Å²	102	71.5 Å²	71.5	52%	0.523	37%	0.373	S	S	.	.	H	α-helix	trans	-56.9	-44.3	177.6	-67.7	166.2	0	0	0	110.5	S367 H373 R374	S367-I371 WeakPolarHBondContact O-CG1 3.43Å; S367-I371 PolarHBondContact O-N 2.89Å; I371-H373 VanDerWaalsContact C-N 3.31Å; I371-H373 PolarHBondContact O-N 2.96Å; I371-R374 PolarHBondContact O-N 3.48Å
372	R	93.6	Very high	93.5	Very high	102 Å²	102	73.1 Å²	73.1	39%	0.385	38%	0.376	S	S	.	.	H	α-helix	trans	-64.9	-36.5	176.4	-179.2	-179.2	66.4	-165.2	-4.6	112.2	S368 E369 L370	S368-R372 VanDerWaalsContact O-CB 3.27Å; S368-R372 WeakPolarHBondContact O-CB 3.5Å; S368-R372 PolarHBondContact O-N 3.17Å; S368-R372 VanDerWaalsContact O-N 3.09Å; E369-R372 PolarHBondContact O-N 3.34Å; L370-R372 VanDerWaalsContact C-N 3.27Å; L370-R372 PolarHBondContact O-N 3.18Å
373	H	94.9	Very high	93.5	Very high	21 Å²	21	71.2 Å²	71.2	10%	0.097	37%	0.366	C	S	.	.	H	α-helix	trans	-67.8	-41.2	176.9	171.1	73.3	0	0	0	111.8	C360 F364 E369 L370 I371 R375 I376 H377	C360-H373 PolarHBondContact SG-NE2 2.93Å; F364-H373 HydrophobicContact CE1-CB 3.88Å; F364-H373 HydrophobicContact CE2-CB 3.73Å; F364-H373 AromaticContact CE2-CD2 3.4Å; F364-H373 WeakPolarHBondContact CE2-CD2 3.32Å; F364-H373 AromaticContact CE2-CG 3.53Å; F364-H373 HydrophobicContact CZ-CB 3.36Å; F364-H373 AromaticContact CZ-CD2 3.44Å; F364-H373 VanDerWaalsContact CZ-CD2 3.44Å; F364-H373 WeakPolarHBondContact CZ-CD2 3.3Å; F364-H373 AromaticContact CZ-CE1 3.96Å; F364-H373 AromaticContact CZ-CG 3.11Å; F364-H373 AromaticContact CZ-ND1 3.49Å; F364-H373 WeakPolarHBondContact CZ-ND1 3.4Å; F364-H373 AromaticContact CZ-NE2 3.92Å; E369-H373 WeakPolarHBondContact O-CB 3.46Å; E369-H373 PolarHBondContact O-N 3.04Å; L370-H373 CarbonylContact O-C 3.24Å; L370-H373 WeakPolarHBondContact O-CA 3.49Å; L370-H373 WeakPolarHBondContact O-CB 3.38Å; L370-H373 PolarHBondContact O-N 3.43Å; I371-H373 VanDerWaalsContact C-N 3.31Å; I371-H373 PolarHBondContact O-N 2.96Å; H373-R375 PolarHBondContact O-N 3.39Å; H373-I376 VanDerWaalsContact O-CB 3.23Å; H373-I376 WeakPolarHBondContact O-CB 3.33Å; H373-I376 VanDerWaalsContact O-CG1 3.32Å; H373-I376 WeakPolarHBondContact O-CG1 3.22Å; H373-I376 PolarHBondContact O-N 3.04Å; H373-H377 AromaticContact CE1-NE2 3.97Å; H373-H377 AromaticContact NE2-NE2 3.33Å; H373-H377 PolarHBondContact NE2-NE2 3.39Å
374	R	93.2	Very high	93.6	Very high	113 Å²	113	75.7 Å²	75.7	43%	0.426	38%	0.381	S	S	.	.	H	α-helix	trans	-55.1	-29.2	177.8	-71.9	-165.6	68.8	-118.4	-7.9	113.6	E359 L370 I371 I376 H377 T378	E359-R374 IonicContact OE1-CZ 3.63Å; E359-R374 IonicContact OE1-NE 3.65Å; E359-R374 PolarHBondContact OE1-NE 3.47Å; E359-R374 IonicContact OE1-NH2 2.81Å; E359-R374 PolarHBondContact OE1-NH2 3.46Å; L370-R374 HydrophobicContact CD1-CG 4.25Å; L370-R374 WeakPolarHBondContact O-CG 3.43Å; L370-R374 PolarHBondContact O-N 3.43Å; I371-R374 PolarHBondContact O-N 3.48Å; R374-I376 PolarHBondContact O-N 2.88Å; R374-I376 VanDerWaalsContact O-N 3.1Å; R374-H377 PolarHBondContact O-N 3.34Å; R374-T378 PolarHBondContact O-N 3Å; R374-T378 PolarHBondContact O-OG1 3.46Å
375	R	94.3	Very high	93.7	Very high	56 Å²	56	73.8 Å²	73.8	21%	0.211	37%	0.373	C	S	.	.	H	α-helix	trans	-60.1	-19	173.5	-61.1	-176.5	-176.3	160.5	4.3	114.2	H373 T378 G379 E380 S393	H373-R375 PolarHBondContact O-N 3.39Å; R375-T378 WeakPolarHBondContact CA-OG1 3.33Å; R375-G379 WeakPolarHBondContact O-CA 3.34Å; R375-G379 PolarHBondContact O-N 3.43Å; R375-E380 HydrophobicContact CG-CB 4.32Å; R375-E380 PolarHBondContact O-N 3.43Å; R375-S393 PolarHBondContact NH1-O 3.49Å
376	I	93.5	Very high	93.8	Very high	117 Å²	117	74.1 Å²	74.1	60%	0.6	40%	0.399	S	S	*	.	H	α-helix	trans	-70.5	-38.4	174	-60.8	174.8	0	0	0	110.1	H373 R374	H373-I376 VanDerWaalsContact O-CB 3.23Å; H373-I376 WeakPolarHBondContact O-CB 3.33Å; H373-I376 VanDerWaalsContact O-CG1 3.32Å; H373-I376 WeakPolarHBondContact O-CG1 3.22Å; H373-I376 PolarHBondContact O-N 3.04Å; R374-I376 PolarHBondContact O-N 2.88Å; R374-I376 VanDerWaalsContact O-N 3.1Å
377	H	93.4	Very high	93.9	Very high	76 Å²	76	79.5 Å²	79.5	35%	0.352	42%	0.422	S	S	.	.	H	α-helix	trans	-79.5	-44.6	179.3	-58.5	-64.7	0	0	0	112.3	E359 C360 H373 R374 G379	E359-H377 WeakPolarHBondContact OE2-CB 3.27Å; E359-H377 IonicContact OE2-CD2 2.75Å; E359-H377 PolarHBondContact OE2-CD2 2.67Å; E359-H377 IonicContact OE2-CG 3.05Å; E359-H377 IonicContact OE2-ND1 3.69Å; C360-H377 PolarHBondContact SG-NE2 2.93Å; C360-H377 VanDerWaalsContact SG-NE2 3.37Å; H373-H377 AromaticContact CE1-NE2 3.97Å; H373-H377 AromaticContact NE2-NE2 3.33Å; H373-H377 PolarHBondContact NE2-NE2 3.39Å; R374-H377 PolarHBondContact O-N 3.34Å; H377-G379 VanDerWaalsContact C-N 3.25Å; H377-G379 PolarHBondContact O-N 3.44Å
378	T	92.5	Very high	94	Very high	64 Å²	64	79.6 Å²	79.6	39%	0.393	42%	0.422	S	S	.	.	H	α-helix	trans	-74.3	-18.5	178.9	64.5	0	0	0	0	112.9	R374 R375 E380	R374-T378 PolarHBondContact O-N 3Å; R374-T378 PolarHBondContact O-OG1 3.46Å; R375-T378 WeakPolarHBondContact CA-OG1 3.33Å; T378-E380 PolarHBondContact O-N 3.34Å; T378-E380 WeakPolarHBondContact OG1-CG 3.41Å; T378-E380 PolarHBondContact OG1-N 3.14Å
379	G	92.3	Very high	94.1	Very high	47 Å²	47	77.2 Å²	77.2	49%	0.485	41%	0.412	S	S	.	.			trans	70.9	6.6	-174.5	0	0	0	0	0	114.2	R375 H377 K381	R375-G379 WeakPolarHBondContact O-CA 3.34Å; R375-G379 PolarHBondContact O-N 3.43Å; H377-G379 VanDerWaalsContact C-N 3.25Å; H377-G379 PolarHBondContact O-N 3.44Å; G379-K381 PolarHBondContact O-N 3.32Å
380	E	93.8	Very high	94.2	Very high	110 Å²	110	79.7 Å²	79.7	51%	0.514	42%	0.421	S	S	.	.			trans	-58.3	129.6	-178.5	-79.8	176.8	-164.9	0	0	112.4	R375 T378	R375-E380 HydrophobicContact CG-CB 4.32Å; R375-E380 PolarHBondContact O-N 3.43Å; T378-E380 PolarHBondContact O-N 3.34Å; T378-E380 WeakPolarHBondContact OG1-CG 3.41Å; T378-E380 PolarHBondContact OG1-N 3.14Å
381	K	94.4	Very high	94.2	Very high	126 Å²	126	80 Å²	80	55%	0.548	43%	0.428	S	S	.	.			trans	-130.7	77.1	178.9	-71.3	167.7	177.8	-175.6	0	110.4	G379 Y383 A391 F392	G379-K381 PolarHBondContact O-N 3.32Å; K381-Y383 PolarHBondContact O-N 3.37Å; K381-A391 HydrophobicContact CB-CB 3.56Å; K381-A391 HydrophobicContact CD-CB 4.24Å; K381-A391 WeakPolarHBondContact CD-O 3.36Å; K381-F392 CarbonylContact C-O 3.52Å; K381-F392 VanDerWaalsContact C-O 3.24Å; K381-F392 VanDerWaalsContact CA-O 3.29Å; K381-F392 WeakPolarHBondContact CA-O 3.01Å
382	P	93.4	Very high	94.3	Very high	76 Å²	76	77.2 Å²	77.2	49%	0.494	41%	0.412	S	S	.	.			trans	-66.7	-12.7	-172.4	-21.7	34.3	0	0	0	114.7
383	Y	96.4	Very high	94.3	Very high	81 Å²	81	74.3 Å²	74.3	32%	0.318	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	97.1	-171.3	-56.9	-79.6	0	0	0	110.5	K381 A391 F392 R394	K381-Y383 PolarHBondContact O-N 3.37Å; Y383-A391 CarbonylContact O-C 3.31Å; Y383-A391 WeakPolarHBondContact O-CA 3.43Å; Y383-F392 WeakPolarHBondContact CB-O 3.32Å; Y383-F392 WeakPolarHBondContact CD2-O 3.38Å; Y383-F392 PolarHBondContact N-O 3.44Å; Y383-F392 VanDerWaalsContact N-O 3.11Å; Y383-F392 PolarHBondContact O-N 2.91Å; Y383-R394 VanDerWaalsContact CD2-C 3.41Å
384	E	96.6	Very high	94.2	Very high	129 Å²	129	78.8 Å²	78.8	60%	0.603	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.7	141.3	-179.9	-165.9	175.4	162.6	0	0	113	G389 A391 L398	E384-G389 WeakPolarHBondContact OE1-CA 3.25Å; E384-A391 HydrophobicContact CG-CB 4.49Å; E384-L398 WeakPolarHBondContact O-CD2 3.28Å
385	C	96	Very high	94.3	Very high	0 Å²	0	76.1 Å²	76.1	0%	0	42%	0.422	C	S	.	.			trans	-84.2	111.3	170.3	-176.1	0	0	0	0	110.2	E387 C388 G389 K390 F392 L398	C385-E387 PolarHBondContact O-N 2.81Å; C385-E387 VanDerWaalsContact O-N 3.09Å; C385-C388 PolarHBondContact O-N 3.22Å; C385-G389 VanDerWaalsContact O-CA 3.3Å; C385-G389 WeakPolarHBondContact O-CA 3.48Å; C385-G389 PolarHBondContact O-N 3.24Å; C385-K390 WeakPolarHBondContact CB-O 3.3Å; C385-K390 PolarHBondContact N-O 3.45Å; C385-F392 HydrophobicContact CB-CE2 4.42Å; C385-L398 HydrophobicContact CB-CD1 3.57Å
386	G	94.7	Very high	94.2	Very high	82 Å²	82	77 Å²	77	85%	0.845	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-16.2	177.2	0	0	0	0	0	115.3
387	E	93.5	Very high	94.2	Very high	122 Å²	122	72.8 Å²	72.8	57%	0.57	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-29.5	-179.1	-65.3	174.9	-131	0	0	113.7	C385 H405	C385-E387 PolarHBondContact O-N 2.81Å; C385-E387 VanDerWaalsContact O-N 3.09Å; E387-H405 WeakPolarHBondContact OE2-CB 3.31Å; E387-H405 IonicContact OE2-CD2 3.94Å; E387-H405 IonicContact OE2-CG 3.3Å; E387-H405 IonicContact OE2-ND1 3.61Å
388	C	94.5	Very high	94.3	Very high	54 Å²	54	70.1 Å²	70.1	37%	0.365	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.9	6.9	-177.8	70.9	0	0	0	0	115.1	C385 K390 H401 H405	C385-C388 PolarHBondContact O-N 3.22Å; C388-K390 PolarHBondContact O-N 3.44Å; C388-K390 VanDerWaalsContact O-N 3.09Å; C388-H401 PolarHBondContact SG-NE2 3.04Å; C388-H405 PolarHBondContact SG-NE2 3.03Å; C388-H405 VanDerWaalsContact SG-NE2 3.4Å
389	G	92.9	Very high	94.3	Very high	41 Å²	41	72.2 Å²	72.2	42%	0.423	42%	0.416	S	S	.	.			trans	66.9	4.5	-179.5	0	0	0	0	0	114.7	E384 C385 A391	E384-G389 WeakPolarHBondContact OE1-CA 3.25Å; C385-G389 VanDerWaalsContact O-CA 3.3Å; C385-G389 WeakPolarHBondContact O-CA 3.48Å; C385-G389 PolarHBondContact O-N 3.24Å; G389-A391 PolarHBondContact O-N 3.13Å
390	K	95.1	Very high	94.2	Very high	126 Å²	126	73.3 Å²	73.3	55%	0.548	41%	0.408	S	S	.	.			trans	-72.2	123.4	179.4	-75.1	-177.4	-178.4	173.8	0	110.5	C385 C388 F392	C385-K390 WeakPolarHBondContact CB-O 3.3Å; C385-K390 PolarHBondContact N-O 3.45Å; C388-K390 PolarHBondContact O-N 3.44Å; C388-K390 VanDerWaalsContact O-N 3.09Å; K390-F392 HydrophobicContact CB-CE2 3.92Å; K390-F392 HydrophobicContact CB-CZ 4.03Å; K390-F392 WeakPolarHBondContact O-CD2 3.33Å; K390-F392 VanDerWaalsContact O-CE2 3.23Å; K390-F392 WeakPolarHBondContact O-CE2 3.46Å
391	A	95.6	Very high	94.2	Very high	35 Å²	35	68.9 Å²	68.9	29%	0.289	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	146	177.1	0	0	0	0	0	112.8	K381 Y383 E384 G389	K381-A391 HydrophobicContact CB-CB 3.56Å; K381-A391 HydrophobicContact CD-CB 4.24Å; K381-A391 WeakPolarHBondContact CD-O 3.36Å; Y383-A391 CarbonylContact O-C 3.31Å; Y383-A391 WeakPolarHBondContact O-CA 3.43Å; E384-A391 HydrophobicContact CG-CB 4.49Å; G389-A391 PolarHBondContact O-N 3.13Å
392	F	94.9	Very high	94	Very high	44 Å²	44	67.2 Å²	67.2	19%	0.193	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	149	-178	-58.8	-89.2	0	0	0	111.1	K381 Y383 C385 K390 R394 A397 L398 H401	K381-F392 CarbonylContact C-O 3.52Å; K381-F392 VanDerWaalsContact C-O 3.24Å; K381-F392 VanDerWaalsContact CA-O 3.29Å; K381-F392 WeakPolarHBondContact CA-O 3.01Å; Y383-F392 WeakPolarHBondContact CB-O 3.32Å; Y383-F392 WeakPolarHBondContact CD2-O 3.38Å; Y383-F392 PolarHBondContact N-O 3.44Å; Y383-F392 VanDerWaalsContact N-O 3.11Å; Y383-F392 PolarHBondContact O-N 2.91Å; C385-F392 HydrophobicContact CB-CE2 4.42Å; K390-F392 HydrophobicContact CB-CE2 3.92Å; K390-F392 HydrophobicContact CB-CZ 4.03Å; K390-F392 WeakPolarHBondContact O-CD2 3.33Å; K390-F392 VanDerWaalsContact O-CE2 3.23Å; K390-F392 WeakPolarHBondContact O-CE2 3.46Å; F392-R394 VanDerWaalsContact C-N 3.28Å; F392-R394 PolarHBondContact O-N 2.89Å; F392-A397 HydrophobicContact CB-CB 4.16Å; F392-A397 HydrophobicContact CD1-CB 3.94Å; F392-A397 HydrophobicContact CG-CB 4.28Å; F392-L398 HydrophobicContact CB-CB 4.41Å; F392-L398 HydrophobicContact CD2-CB 3.88Å; F392-L398 HydrophobicContact CD2-CD1 3.85Å; F392-L398 HydrophobicContact CD2-CG 4.47Å; F392-L398 HydrophobicContact CE2-CD1 3.98Å; F392-L398 HydrophobicContact CG-CB 4.34Å; F392-H401 HydrophobicContact CE1-CB 4.01Å; F392-H401 HydrophobicContact CE2-CB 3.81Å; F392-H401 AromaticContact CE2-CD2 3.38Å; F392-H401 WeakPolarHBondContact CE2-CD2 3.32Å; F392-H401 AromaticContact CE2-CG 3.63Å; F392-H401 HydrophobicContact CZ-CB 3.43Å; F392-H401 VanDerWaalsContact CZ-CB 3.43Å; F392-H401 AromaticContact CZ-CD2 3.4Å; F392-H401 WeakPolarHBondContact CZ-CD2 3.4Å; F392-H401 AromaticContact CZ-CG 3.2Å; F392-H401 AromaticContact CZ-ND1 3.73Å; F392-H401 AromaticContact CZ-NE2 3.95Å
393	S	93.8	Very high	93.9	Very high	41 Å²	41	66.7 Å²	66.7	29%	0.287	37%	0.37	S	S	.	.	S	Bend	trans	-80.1	-9.9	176.6	59.5	0	0	0	0	113.5	R375	R375-S393 PolarHBondContact NH1-O 3.49Å
394	R	93.4	Very high	93.5	Very high	115 Å²	115	68.5 Å²	68.5	43%	0.434	38%	0.384	S	S	.	.	S	Bend	trans	-135.7	138.5	-178.9	-57.9	-179.8	-169.9	173.8	1.3	110.7	Y383 F392 S396 A397 L398	Y383-R394 VanDerWaalsContact CD2-C 3.41Å; F392-R394 VanDerWaalsContact C-N 3.28Å; F392-R394 PolarHBondContact O-N 2.89Å; R394-S396 VanDerWaalsContact C-N 3.33Å; R394-S396 PolarHBondContact O-N 3.26Å; R394-A397 HydrophobicContact CB-CB 4.22Å; R394-A397 WeakPolarHBondContact O-CB 3.43Å; R394-A397 PolarHBondContact O-N 3.48Å; R394-L398 PolarHBondContact O-N 3.19Å
395	S	94.7	Very high	93.2	Very high	56 Å²	56	65.9 Å²	65.9	39%	0.392	37%	0.371	S	S	.	.	H	α-helix	trans	-61	-40.1	175.6	55.8	0	0	0	0	112.6	A397 L398 I399	S395-A397 VanDerWaalsContact C-N 3.27Å; S395-A397 PolarHBondContact O-N 2.82Å; S395-L398 WeakPolarHBondContact O-CB 3.49Å; S395-L398 PolarHBondContact O-N 3.02Å; S395-L398 VanDerWaalsContact O-N 3.11Å; S395-I399 WeakPolarHBondContact O-CG1 3.39Å; S395-I399 PolarHBondContact O-N 3.48Å
396	S	92.5	Very high	92.7	Very high	74 Å²	74	70.6 Å²	70.6	52%	0.517	40%	0.401	S	S	.	.	H	α-helix	trans	-62.3	-34.4	177.4	57.8	0	0	0	0	112.9	R394 I399 Q400	R394-S396 VanDerWaalsContact C-N 3.33Å; R394-S396 PolarHBondContact O-N 3.26Å; S396-I399 PolarHBondContact O-N 3.3Å; S396-Q400 VanDerWaalsContact O-CB 3.26Å; S396-Q400 WeakPolarHBondContact O-CB 3.42Å; S396-Q400 PolarHBondContact O-N 2.84Å
397	A	93.7	Very high	92.3	Very high	29 Å²	29	68.9 Å²	68.9	24%	0.24	38%	0.383	C	S	.	.	H	α-helix	trans	-68.6	-38.9	174.7	0	0	0	0	0	111.3	F392 R394 S395 H401	F392-A397 HydrophobicContact CB-CB 4.16Å; F392-A397 HydrophobicContact CD1-CB 3.94Å; F392-A397 HydrophobicContact CG-CB 4.28Å; R394-A397 HydrophobicContact CB-CB 4.22Å; R394-A397 WeakPolarHBondContact O-CB 3.43Å; R394-A397 PolarHBondContact O-N 3.48Å; S395-A397 VanDerWaalsContact C-N 3.27Å; S395-A397 PolarHBondContact O-N 2.82Å; A397-H401 VanDerWaalsContact O-CB 3.23Å; A397-H401 WeakPolarHBondContact O-CB 3.36Å; A397-H401 PolarHBondContact O-N 3.34Å
398	L	95.1	Very high	91.9	Very high	21 Å²	21	66.3 Å²	66.3	11%	0.11	37%	0.373	C	S	.	.	H	α-helix	trans	-63.7	-47.6	172.7	172.8	61.9	0	0	0	111.6	E384 C385 F392 R394 S395 Q400 H401 K402	E384-L398 WeakPolarHBondContact O-CD2 3.28Å; C385-L398 HydrophobicContact CB-CD1 3.57Å; F392-L398 HydrophobicContact CB-CB 4.41Å; F392-L398 HydrophobicContact CD2-CB 3.88Å; F392-L398 HydrophobicContact CD2-CD1 3.85Å; F392-L398 HydrophobicContact CD2-CG 4.47Å; F392-L398 HydrophobicContact CE2-CD1 3.98Å; F392-L398 HydrophobicContact CG-CB 4.34Å; R394-L398 PolarHBondContact O-N 3.19Å; S395-L398 WeakPolarHBondContact O-CB 3.49Å; S395-L398 PolarHBondContact O-N 3.02Å; S395-L398 VanDerWaalsContact O-N 3.11Å; L398-Q400 VanDerWaalsContact C-N 3.3Å; L398-Q400 PolarHBondContact O-N 3.38Å; L398-H401 WeakPolarHBondContact O-CB 3.34Å; L398-H401 PolarHBondContact O-N 3.44Å; L398-H401 VanDerWaalsContact O-N 3.09Å; L398-K402 HydrophobicContact CD1-CG 4.28Å; L398-K402 WeakPolarHBondContact O-CG 3.18Å; L398-K402 PolarHBondContact O-N 3.49Å
399	I	92.6	Very high	91.4	Very high	108 Å²	108	69.7 Å²	69.7	55%	0.554	38%	0.382	S	S	*	.	H	α-helix	trans	-57.9	-46.2	177.8	-68.6	164.3	0	0	0	110.3	S395 S396 H401 K402 K403	S395-I399 WeakPolarHBondContact O-CG1 3.39Å; S395-I399 PolarHBondContact O-N 3.48Å; S396-I399 PolarHBondContact O-N 3.3Å; I399-H401 VanDerWaalsContact C-N 3.3Å; I399-H401 PolarHBondContact O-N 3.13Å; I399-K402 PolarHBondContact O-N 3.36Å; I399-K403 PolarHBondContact O-N 2.94Å
400	Q	90.7	Very high	91.1	Very high	69 Å²	69	70.6 Å²	70.6	32%	0.322	39%	0.391	S	S	.	.	H	α-helix	trans	-65.1	-35.3	177	-178.1	174.5	66.5	0	0	112.5	S396 L398 K403	S396-Q400 VanDerWaalsContact O-CB 3.26Å; S396-Q400 WeakPolarHBondContact O-CB 3.42Å; S396-Q400 PolarHBondContact O-N 2.84Å; L398-Q400 VanDerWaalsContact C-N 3.3Å; L398-Q400 PolarHBondContact O-N 3.38Å; Q400-K403 WeakPolarHBondContact O-CB 3.29Å; Q400-K403 PolarHBondContact O-N 3.35Å
401	H	92.9	Very high	91	Very high	18 Å²	18	69.1 Å²	69.1	8%	0.083	38%	0.382	C	S	.	.	H	α-helix	trans	-67.1	-40.5	175	173.6	63.6	0	0	0	112	C388 F392 A397 L398 I399 K403 I404 H405	C388-H401 PolarHBondContact SG-NE2 3.04Å; F392-H401 HydrophobicContact CE1-CB 4.01Å; F392-H401 HydrophobicContact CE2-CB 3.81Å; F392-H401 AromaticContact CE2-CD2 3.38Å; F392-H401 WeakPolarHBondContact CE2-CD2 3.32Å; F392-H401 AromaticContact CE2-CG 3.63Å; F392-H401 HydrophobicContact CZ-CB 3.43Å; F392-H401 VanDerWaalsContact CZ-CB 3.43Å; F392-H401 AromaticContact CZ-CD2 3.4Å; F392-H401 WeakPolarHBondContact CZ-CD2 3.4Å; F392-H401 AromaticContact CZ-CG 3.2Å; F392-H401 AromaticContact CZ-ND1 3.73Å; F392-H401 AromaticContact CZ-NE2 3.95Å; A397-H401 VanDerWaalsContact O-CB 3.23Å; A397-H401 WeakPolarHBondContact O-CB 3.36Å; A397-H401 PolarHBondContact O-N 3.34Å; L398-H401 WeakPolarHBondContact O-CB 3.34Å; L398-H401 PolarHBondContact O-N 3.44Å; L398-H401 VanDerWaalsContact O-N 3.09Å; I399-H401 VanDerWaalsContact C-N 3.3Å; I399-H401 PolarHBondContact O-N 3.13Å; H401-K403 PolarHBondContact O-N 3.19Å; H401-K403 VanDerWaalsContact O-N 3.17Å; H401-I404 WeakPolarHBondContact O-CB 3.49Å; H401-I404 WeakPolarHBondContact O-CG1 3.46Å; H401-I404 PolarHBondContact O-N 2.85Å; H401-H405 AromaticContact CE1-NE2 3.82Å; H401-H405 AromaticContact NE2-NE2 3.31Å; H401-H405 PolarHBondContact NE2-NE2 3.46Å
402	K	91.3	Very high	90.9	Very high	91 Å²	91	73.4 Å²	73.4	40%	0.396	40%	0.396	S	S	.	.	H	α-helix	trans	-56.7	-30.9	176.5	-74.4	-174.2	174.5	-168.3	0	113	L398 I399 I404 H405 T406	L398-K402 HydrophobicContact CD1-CG 4.28Å; L398-K402 WeakPolarHBondContact O-CG 3.18Å; L398-K402 PolarHBondContact O-N 3.49Å; I399-K402 PolarHBondContact O-N 3.36Å; K402-I404 PolarHBondContact O-N 3.43Å; K402-I404 VanDerWaalsContact O-N 3.14Å; K402-H405 WeakPolarHBondContact O-CB 3.05Å; K402-H405 PolarHBondContact O-N 3.21Å; K402-T406 PolarHBondContact O-N 3.37Å
403	K	90.3	Very high	90.9	Very high	64 Å²	64	71.3 Å²	71.3	28%	0.278	39%	0.387	S	S	.	.	H	α-helix	trans	-59.2	-23.9	173.4	-61	-165.3	172.2	-140.6	0	114.1	I399 Q400 H401 H405 T406 G407 D408	I399-K403 PolarHBondContact O-N 2.94Å; Q400-K403 WeakPolarHBondContact O-CB 3.29Å; Q400-K403 PolarHBondContact O-N 3.35Å; H401-K403 PolarHBondContact O-N 3.19Å; H401-K403 VanDerWaalsContact O-N 3.17Å; K403-H405 VanDerWaalsContact C-N 3.34Å; K403-T406 WeakPolarHBondContact CA-OG1 3.23Å; K403-T406 PolarHBondContact O-OG1 3.38Å; K403-G407 WeakPolarHBondContact O-CA 3.29Å; K403-G407 PolarHBondContact O-N 2.95Å; K403-D408 HydrophobicContact CB-CB 4.44Å; K403-D408 WeakPolarHBondContact CE-OD2 3.36Å; K403-D408 IonicContact NZ-OD2 2.94Å; K403-D408 PolarHBondContact NZ-OD2 2.66Å; K403-D408 PolarHBondContact O-N 2.67Å
404	I	88.8	Confident	90.9	Very high	120 Å²	120	77.3 Å²	77.3	62%	0.615	41%	0.414	S	S	*	.	H	α-helix	trans	-69.9	-36.9	175.9	-57.2	175.9	0	0	0	110.3	H401 K402	H401-I404 WeakPolarHBondContact O-CB 3.49Å; H401-I404 WeakPolarHBondContact O-CG1 3.46Å; H401-I404 PolarHBondContact O-N 2.85Å; K402-I404 PolarHBondContact O-N 3.43Å; K402-I404 VanDerWaalsContact O-N 3.14Å
405	H	89.4	Confident	90.9	Very high	73 Å²	73	77.6 Å²	77.6	34%	0.338	42%	0.421	S	S	.	.	H	α-helix	trans	-74.4	-42.4	178.6	-64.2	-63	0	0	0	112.3	E387 C388 H401 K402 K403 G407	E387-H405 WeakPolarHBondContact OE2-CB 3.31Å; E387-H405 IonicContact OE2-CD2 3.94Å; E387-H405 IonicContact OE2-CG 3.3Å; E387-H405 IonicContact OE2-ND1 3.61Å; C388-H405 PolarHBondContact SG-NE2 3.03Å; C388-H405 VanDerWaalsContact SG-NE2 3.4Å; H401-H405 AromaticContact CE1-NE2 3.82Å; H401-H405 AromaticContact NE2-NE2 3.31Å; H401-H405 PolarHBondContact NE2-NE2 3.46Å; K402-H405 WeakPolarHBondContact O-CB 3.05Å; K402-H405 PolarHBondContact O-N 3.21Å; K403-H405 VanDerWaalsContact C-N 3.34Å; H405-G407 PolarHBondContact O-N 3.11Å
406	T	87.3	Confident	90.9	Very high	100 Å²	100	77.4 Å²	77.4	61%	0.613	42%	0.419	S	S	*	.	H	α-helix	trans	-73.7	-16.1	177.5	62.7	0	0	0	0	113	K402 K403 D408	K402-T406 PolarHBondContact O-N 3.37Å; K403-T406 WeakPolarHBondContact CA-OG1 3.23Å; K403-T406 PolarHBondContact O-OG1 3.38Å; T406-D408 PolarHBondContact O-N 2.94Å; T406-D408 WeakPolarHBondContact OG1-CB 3.47Å; T406-D408 PolarHBondContact OG1-N 2.74Å
407	G	85.1	Confident	90.8	Very high	46 Å²	46	75.9 Å²	75.9	47%	0.474	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.3	12.8	-171.1	0	0	0	0	0	113.6	K403 H405 K409	K403-G407 WeakPolarHBondContact O-CA 3.29Å; K403-G407 PolarHBondContact O-N 2.95Å; H405-G407 PolarHBondContact O-N 3.11Å; G407-K409 PolarHBondContact O-N 3.47Å
408	D	85.5	Confident	90.8	Very high	68 Å²	68	80.3 Å²	80.3	36%	0.364	43%	0.429	S	S	.	.			trans	-61.9	107.3	179.2	172.2	26.2	0	0	0	110.4	K403 T406 G410	K403-D408 HydrophobicContact CB-CB 4.44Å; K403-D408 WeakPolarHBondContact CE-OD2 3.36Å; K403-D408 IonicContact NZ-OD2 2.94Å; K403-D408 PolarHBondContact NZ-OD2 2.66Å; K403-D408 PolarHBondContact O-N 2.67Å; T406-D408 PolarHBondContact O-N 2.94Å; T406-D408 WeakPolarHBondContact OG1-CB 3.47Å; T406-D408 PolarHBondContact OG1-N 2.74Å; D408-G410 PolarHBondContact OD1-N 3.43Å
409	K	84.3	Confident	90.7	Very high	125 Å²	125	81 Å²	81	54%	0.543	44%	0.437	S	S	.	.			trans	-119.7	64.4	177.5	-68.9	171	171.4	-170.6	0	109.9	G407 Y411 A419 F420	G407-K409 PolarHBondContact O-N 3.47Å; K409-Y411 PolarHBondContact O-N 3.37Å; K409-A419 HydrophobicContact CB-CB 3.62Å; K409-A419 HydrophobicContact CD-CB 4.16Å; K409-A419 WeakPolarHBondContact CD-O 3.49Å; K409-F420 CarbonylContact C-O 3.53Å; K409-F420 WeakPolarHBondContact CA-O 3.27Å
410	G	87	Confident	90.6	Very high	60 Å²	60	77.6 Å²	77.6	62%	0.619	42%	0.418	S	S	*	.			trans	-65.8	7.2	-180	0	0	0	0	0	117.1	D408	D408-G410 PolarHBondContact OD1-N 3.43Å
411	Y	92.1	Very high	90.5	Very high	94 Å²	94	75.7 Å²	75.7	37%	0.369	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	97.9	179	-56.9	-76.3	0	0	0	111	K409 A419 F420 R422	K409-Y411 PolarHBondContact O-N 3.37Å; Y411-A419 CarbonylContact O-C 3.6Å; Y411-A419 WeakPolarHBondContact O-CA 3.39Å; Y411-F420 WeakPolarHBondContact CB-O 3.4Å; Y411-F420 WeakPolarHBondContact CD2-O 3.36Å; Y411-F420 PolarHBondContact N-O 3.47Å; Y411-F420 PolarHBondContact O-N 3.08Å; Y411-R422 VanDerWaalsContact CD2-C 3.42Å
412	E	94.3	Very high	90.3	Very high	125 Å²	125	80.1 Å²	80.1	58%	0.584	43%	0.433	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.9	138.2	-177.7	-169.4	175.4	174.6	0	0	112.6	G417	E412-G417 WeakPolarHBondContact OE1-CA 3.24Å
413	C	94.8	Very high	90.4	Very high	0 Å²	0	78.5 Å²	78.5	0%	0	43%	0.433	C	S	.	.			trans	-81.6	114.8	170	177.3	0	0	0	0	110	E415 C416 G417 K418 F420 L426 H433	C413-E415 PolarHBondContact O-N 3.09Å; C413-C416 PolarHBondContact O-N 2.87Å; C413-G417 VanDerWaalsContact O-CA 3.28Å; C413-G417 WeakPolarHBondContact O-CA 3.41Å; C413-G417 PolarHBondContact O-N 3.33Å; C413-K418 WeakPolarHBondContact CB-O 3.35Å; C413-K418 PolarHBondContact N-O 3.09Å; C413-F420 HydrophobicContact CB-CE2 4.29Å; C413-L426 HydrophobicContact CB-CD1 3.57Å; C413-H433 PolarHBondContact SG-NE2 3.45Å; C413-H433 VanDerWaalsContact SG-NE2 3.45Å
414	I	93	Very high	90.4	Very high	167 Å²	167	78.7 Å²	78.7	86%	0.856	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-33.5	-179.1	-58.5	172.6	0	0	0	111.8
415	E	93.1	Very high	90.6	Very high	121 Å²	121	75.6 Å²	75.6	57%	0.565	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-26.3	-175.9	-65.9	169.7	145.1	0	0	113.7	C413 H433	C413-E415 PolarHBondContact O-N 3.09Å; E415-H433 WeakPolarHBondContact OE2-CB 3.37Å; E415-H433 IonicContact OE2-CD2 3.9Å; E415-H433 PolarHBondContact OE2-CD2 3.22Å; E415-H433 IonicContact OE2-CG 3.41Å; E415-H433 IonicContact OE2-NE2 3.46Å
416	C	94.4	Very high	90.8	Very high	53 Å²	53	73.1 Å²	73.1	36%	0.358	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.9	6	-175.9	73.3	0	0	0	0	115.6	C413 K418 H429 H433	C413-C416 PolarHBondContact O-N 2.87Å; C416-K418 PolarHBondContact O-N 3.12Å; C416-K418 VanDerWaalsContact O-N 3.1Å; C416-H429 PolarHBondContact SG-NE2 3.19Å; C416-H433 PolarHBondContact SG-NE2 2.85Å
417	G	91.8	Very high	91.1	Very high	41 Å²	41	72.7 Å²	72.7	42%	0.423	41%	0.409	S	S	.	.			trans	65.8	6.9	-180	0	0	0	0	0	115	E412 C413 A419	E412-G417 WeakPolarHBondContact OE1-CA 3.24Å; C413-G417 VanDerWaalsContact O-CA 3.28Å; C413-G417 WeakPolarHBondContact O-CA 3.41Å; C413-G417 PolarHBondContact O-N 3.33Å; G417-A419 PolarHBondContact O-N 3.43Å
418	K	92.8	Very high	91.5	Very high	123 Å²	123	73 Å²	73	54%	0.535	40%	0.398	S	S	.	.			trans	-74.8	124.4	-179.3	-73.7	-178.8	-176.8	174.1	0	110.5	C413 C416 F420	C413-K418 WeakPolarHBondContact CB-O 3.35Å; C413-K418 PolarHBondContact N-O 3.09Å; C416-K418 PolarHBondContact O-N 3.12Å; C416-K418 VanDerWaalsContact O-N 3.1Å; K418-F420 HydrophobicContact CB-CE2 3.88Å; K418-F420 HydrophobicContact CB-CZ 3.93Å; K418-F420 WeakPolarHBondContact O-CD2 3.33Å; K418-F420 VanDerWaalsContact O-CE2 3.24Å; K418-F420 WeakPolarHBondContact O-CE2 3.39Å
419	A	92.4	Very high	92	Very high	34 Å²	34	70.8 Å²	70.8	28%	0.281	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	140.4	177.9	0	0	0	0	0	112.7	K409 Y411 G417	K409-A419 HydrophobicContact CB-CB 3.62Å; K409-A419 HydrophobicContact CD-CB 4.16Å; K409-A419 WeakPolarHBondContact CD-O 3.49Å; Y411-A419 CarbonylContact O-C 3.6Å; Y411-A419 WeakPolarHBondContact O-CA 3.39Å; G417-A419 PolarHBondContact O-N 3.43Å
420	F	90.7	Very high	92.5	Very high	38 Å²	38	68.1 Å²	68.1	17%	0.167	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	150.2	-177.7	-57.3	-85.7	0	0	0	111	K409 Y411 C413 K418 R422 I425 L426 H429	K409-F420 CarbonylContact C-O 3.53Å; K409-F420 WeakPolarHBondContact CA-O 3.27Å; Y411-F420 WeakPolarHBondContact CB-O 3.4Å; Y411-F420 WeakPolarHBondContact CD2-O 3.36Å; Y411-F420 PolarHBondContact N-O 3.47Å; Y411-F420 PolarHBondContact O-N 3.08Å; C413-F420 HydrophobicContact CB-CE2 4.29Å; K418-F420 HydrophobicContact CB-CE2 3.88Å; K418-F420 HydrophobicContact CB-CZ 3.93Å; K418-F420 WeakPolarHBondContact O-CD2 3.33Å; K418-F420 VanDerWaalsContact O-CE2 3.24Å; K418-F420 WeakPolarHBondContact O-CE2 3.39Å; F420-R422 VanDerWaalsContact C-N 3.3Å; F420-R422 PolarHBondContact O-N 2.86Å; F420-I425 HydrophobicContact CD1-CB 4.38Å; F420-I425 HydrophobicContact CD1-CG2 3.54Å; F420-I425 HydrophobicContact CE1-CG2 4.05Å; F420-I425 HydrophobicContact CG-CG2 4.24Å; F420-L426 HydrophobicContact CB-CB 4.47Å; F420-L426 HydrophobicContact CD2-CB 3.96Å; F420-L426 HydrophobicContact CD2-CD1 3.82Å; F420-L426 HydrophobicContact CD2-CG 4.49Å; F420-L426 HydrophobicContact CE2-CD1 3.95Å; F420-L426 HydrophobicContact CG-CB 4.45Å; F420-H429 HydrophobicContact CE1-CB 4.17Å; F420-H429 HydrophobicContact CE2-CB 3.9Å; F420-H429 AromaticContact CE2-CD2 3.49Å; F420-H429 VanDerWaalsContact CE2-CD2 3.49Å; F420-H429 WeakPolarHBondContact CE2-CD2 3.48Å; F420-H429 AromaticContact CE2-CG 3.65Å; F420-H429 HydrophobicContact CZ-CB 3.56Å; F420-H429 AromaticContact CZ-CD2 3.51Å; F420-H429 AromaticContact CZ-CG 3.25Å; F420-H429 AromaticContact CZ-ND1 3.68Å
421	G	88.2	Confident	92.8	Very high	29 Å²	29	67.6 Å²	67.6	30%	0.299	35%	0.354	S	S	.	.	S	Bend	trans	-82.3	-4	177.5	0	0	0	0	0	114.5
422	R	90.1	Very high	92.9	Very high	110 Å²	110	68 Å²	68	42%	0.415	36%	0.361	S	S	.	.	S	Bend	trans	-144.1	136.8	-177.9	-57.4	-179.7	-171	-165.8	-4.2	110.4	Y411 F420 S424 I425 L426	Y411-R422 VanDerWaalsContact CD2-C 3.42Å; F420-R422 VanDerWaalsContact C-N 3.3Å; F420-R422 PolarHBondContact O-N 2.86Å; R422-S424 VanDerWaalsContact C-N 3.33Å; R422-S424 PolarHBondContact O-N 3.23Å; R422-I425 HydrophobicContact CB-CG1 4.03Å; R422-I425 PolarHBondContact O-N 3.38Å; R422-L426 PolarHBondContact O-N 2.88Å
423	S	92.6	Very high	92.9	Very high	58 Å²	58	65.7 Å²	65.7	41%	0.406	35%	0.351	S	S	.	.	H	α-helix	trans	-61	-38.3	176.8	56.8	0	0	0	0	113	I425 L426 I427	S423-I425 VanDerWaalsContact C-N 3.26Å; S423-I425 PolarHBondContact O-N 3.23Å; S423-L426 WeakPolarHBondContact O-CB 3.44Å; S423-L426 PolarHBondContact O-N 3.48Å; S423-L426 VanDerWaalsContact O-N 3.11Å; S423-I427 WeakPolarHBondContact O-CG1 3.43Å; S423-I427 PolarHBondContact O-N 3.34Å
424	S	91.5	Very high	92.9	Very high	67 Å²	67	69.5 Å²	69.5	47%	0.469	37%	0.374	S	S	.	.	H	α-helix	trans	-60.3	-36.6	179.4	63.7	0	0	0	0	112.8	R422 I427 E428	R422-S424 VanDerWaalsContact C-N 3.33Å; R422-S424 PolarHBondContact O-N 3.23Å; S424-I427 PolarHBondContact O-N 3.01Å; S424-E428 WeakPolarHBondContact O-CB 3.34Å; S424-E428 PolarHBondContact O-N 3.35Å
425	I	92.1	Very high	92.9	Very high	55 Å²	55	63.7 Å²	63.7	28%	0.282	36%	0.355	S	S	.	.	H	α-helix	trans	-74.4	-34.9	178.2	-56.2	-60.4	0	0	0	110.4	F420 R422 S423 E428 H429	F420-I425 HydrophobicContact CD1-CB 4.38Å; F420-I425 HydrophobicContact CD1-CG2 3.54Å; F420-I425 HydrophobicContact CE1-CG2 4.05Å; F420-I425 HydrophobicContact CG-CG2 4.24Å; R422-I425 HydrophobicContact CB-CG1 4.03Å; R422-I425 PolarHBondContact O-N 3.38Å; S423-I425 VanDerWaalsContact C-N 3.26Å; S423-I425 PolarHBondContact O-N 3.23Å; I425-E428 PolarHBondContact O-N 2.99Å; I425-H429 WeakPolarHBondContact O-CB 3.29Å; I425-H429 PolarHBondContact O-N 3.26Å
426	L	94.6	Very high	92.9	Very high	21 Å²	21	63.2 Å²	63.2	11%	0.11	35%	0.353	C	S	.	.	H	α-helix	trans	-62	-47.2	171.3	171.5	62.3	0	0	0	111.2	C413 F420 R422 S423 E428 H429 Q430	C413-L426 HydrophobicContact CB-CD1 3.57Å; F420-L426 HydrophobicContact CB-CB 4.47Å; F420-L426 HydrophobicContact CD2-CB 3.96Å; F420-L426 HydrophobicContact CD2-CD1 3.82Å; F420-L426 HydrophobicContact CD2-CG 4.49Å; F420-L426 HydrophobicContact CE2-CD1 3.95Å; F420-L426 HydrophobicContact CG-CB 4.45Å; R422-L426 PolarHBondContact O-N 2.88Å; S423-L426 WeakPolarHBondContact O-CB 3.44Å; S423-L426 PolarHBondContact O-N 3.48Å; S423-L426 VanDerWaalsContact O-N 3.11Å; L426-E428 VanDerWaalsContact C-N 3.33Å; L426-E428 PolarHBondContact O-N 3.15Å; L426-H429 CarbonylContact O-C 3.5Å; L426-H429 WeakPolarHBondContact O-CB 3.46Å; L426-H429 PolarHBondContact O-N 3.45Å; L426-H429 VanDerWaalsContact O-N 3.14Å; L426-Q430 HydrophobicContact CD1-CG 4.23Å; L426-Q430 WeakPolarHBondContact O-CG 3.34Å; L426-Q430 PolarHBondContact O-N 2.87Å
427	I	93.6	Very high	93	Very high	91 Å²	91	66.6 Å²	66.6	47%	0.467	36%	0.362	S	S	.	.	H	α-helix	trans	-60.1	-45.1	177.8	-66.7	165.9	0	0	0	110.6	S423 S424 H429 Q430 R431	S423-I427 WeakPolarHBondContact O-CG1 3.43Å; S423-I427 PolarHBondContact O-N 3.34Å; S424-I427 PolarHBondContact O-N 3.01Å; I427-H429 VanDerWaalsContact C-N 3.31Å; I427-H429 PolarHBondContact O-N 3.36Å; I427-Q430 PolarHBondContact O-N 3.28Å; I427-R431 PolarHBondContact O-N 3.4Å
428	E	93.7	Very high	93.1	Very high	53 Å²	53	68.1 Å²	68.1	25%	0.248	36%	0.364	C	S	.	.	H	α-helix	trans	-62.2	-39.8	175.6	-171	-164.9	138.6	0	0	112.1	S424 I425 L426 R431 Q450	S424-E428 WeakPolarHBondContact O-CB 3.34Å; S424-E428 PolarHBondContact O-N 3.35Å; I425-E428 PolarHBondContact O-N 2.99Å; L426-E428 VanDerWaalsContact C-N 3.33Å; L426-E428 PolarHBondContact O-N 3.15Å; E428-R431 WeakPolarHBondContact O-CB 3.32Å; E428-R431 PolarHBondContact O-N 3.08Å; E428-Q450 HydrophobicContact CG-CG 3.99Å; E428-Q450 VanDerWaalsContact OE1-CG 3.27Å; E428-Q450 WeakPolarHBondContact OE1-CG 3.5Å; E428-Q450 PolarHBondContact OE1-NE2 3.2Å
429	H	94.4	Very high	93.3	Very high	21 Å²	21	65.9 Å²	65.9	10%	0.097	35%	0.353	C	S	.	.	H	α-helix	trans	-64.8	-40.4	176	172.8	68.9	0	0	0	112.2	C416 F420 I425 L426 I427 R431 I432 H433	C416-H429 PolarHBondContact SG-NE2 3.19Å; F420-H429 HydrophobicContact CE1-CB 4.17Å; F420-H429 HydrophobicContact CE2-CB 3.9Å; F420-H429 AromaticContact CE2-CD2 3.49Å; F420-H429 VanDerWaalsContact CE2-CD2 3.49Å; F420-H429 WeakPolarHBondContact CE2-CD2 3.48Å; F420-H429 AromaticContact CE2-CG 3.65Å; F420-H429 HydrophobicContact CZ-CB 3.56Å; F420-H429 AromaticContact CZ-CD2 3.51Å; F420-H429 AromaticContact CZ-CG 3.25Å; F420-H429 AromaticContact CZ-ND1 3.68Å; I425-H429 WeakPolarHBondContact O-CB 3.29Å; I425-H429 PolarHBondContact O-N 3.26Å; L426-H429 CarbonylContact O-C 3.5Å; L426-H429 WeakPolarHBondContact O-CB 3.46Å; L426-H429 PolarHBondContact O-N 3.45Å; L426-H429 VanDerWaalsContact O-N 3.14Å; I427-H429 VanDerWaalsContact C-N 3.31Å; I427-H429 PolarHBondContact O-N 3.36Å; H429-R431 PolarHBondContact O-N 3.24Å; H429-I432 WeakPolarHBondContact O-CB 3.26Å; H429-I432 WeakPolarHBondContact O-CG1 3.38Å; H429-I432 PolarHBondContact O-N 2.61Å; H429-H433 AromaticContact CD2-NE2 3.9Å; H429-H433 AromaticContact CE1-NE2 3.74Å; H429-H433 AromaticContact NE2-CD2 3.95Å; H429-H433 AromaticContact NE2-NE2 3.13Å; H429-H433 PolarHBondContact NE2-NE2 2.9Å; H429-H433 VanDerWaalsContact NE2-NE2 3.13Å
430	Q	94.4	Very high	93.5	Very high	69 Å²	69	69.5 Å²	69.5	32%	0.322	36%	0.364	S	S	.	.	H	α-helix	trans	-58.6	-29.8	177.7	-77.2	172.9	-35	0	0	112.4	L426 I427 I432 H433 T434	L426-Q430 HydrophobicContact CD1-CG 4.23Å; L426-Q430 WeakPolarHBondContact O-CG 3.34Å; L426-Q430 PolarHBondContact O-N 2.87Å; I427-Q430 PolarHBondContact O-N 3.28Å; Q430-I432 PolarHBondContact O-N 3.38Å; Q430-I432 VanDerWaalsContact O-N 3.08Å; Q430-H433 PolarHBondContact O-N 2.98Å; Q430-T434 PolarHBondContact O-N 3.14Å; Q430-T434 PolarHBondContact O-OG1 3.3Å
431	R	95.3	Very high	93.8	Very high	50 Å²	50	67.7 Å²	67.7	19%	0.189	36%	0.356	C	S	.	.	H	α-helix	trans	-60.3	-19.3	173.6	-61.1	179.1	-178.5	169.5	-0.3	113.9	I427 E428 H429 T434 G435 E436 N449	I427-R431 PolarHBondContact O-N 3.4Å; E428-R431 WeakPolarHBondContact O-CB 3.32Å; E428-R431 PolarHBondContact O-N 3.08Å; H429-R431 PolarHBondContact O-N 3.24Å; R431-T434 WeakPolarHBondContact CA-OG1 3.49Å; R431-G435 CarbonylContact O-C 3.38Å; R431-G435 VanDerWaalsContact O-CA 3.3Å; R431-G435 WeakPolarHBondContact O-CA 3.22Å; R431-G435 PolarHBondContact O-N 3.14Å; R431-E436 HydrophobicContact CB-CB 4.37Å; R431-E436 HydrophobicContact CG-CB 4.24Å; R431-E436 PolarHBondContact O-N 3.18Å; R431-N449 HydrophobicContact CB-CB 4.25Å; R431-N449 PolarHBondContact NH1-O 3.14Å
432	I	93.9	Very high	94.1	Very high	101 Å²	101	73.7 Å²	73.7	52%	0.518	38%	0.382	S	S	.	.	H	α-helix	trans	-71.8	-36.3	174.9	-59.5	172.6	0	0	0	110.4	H429 Q430	H429-I432 WeakPolarHBondContact O-CB 3.26Å; H429-I432 WeakPolarHBondContact O-CG1 3.38Å; H429-I432 PolarHBondContact O-N 2.61Å; Q430-I432 PolarHBondContact O-N 3.38Å; Q430-I432 VanDerWaalsContact O-N 3.08Å
433	H	94.1	Very high	94.3	Very high	77 Å²	77	74.4 Å²	74.4	36%	0.356	39%	0.389	S	S	.	.	H	α-helix	trans	-81	-43.5	179.8	-58.4	-57.2	0	0	0	111.4	C413 E415 C416 H429 Q430 G435	C413-H433 PolarHBondContact SG-NE2 3.45Å; C413-H433 VanDerWaalsContact SG-NE2 3.45Å; E415-H433 WeakPolarHBondContact OE2-CB 3.37Å; E415-H433 IonicContact OE2-CD2 3.9Å; E415-H433 PolarHBondContact OE2-CD2 3.22Å; E415-H433 IonicContact OE2-CG 3.41Å; E415-H433 IonicContact OE2-NE2 3.46Å; C416-H433 PolarHBondContact SG-NE2 2.85Å; H429-H433 AromaticContact CD2-NE2 3.9Å; H429-H433 AromaticContact CE1-NE2 3.74Å; H429-H433 AromaticContact NE2-CD2 3.95Å; H429-H433 AromaticContact NE2-NE2 3.13Å; H429-H433 PolarHBondContact NE2-NE2 2.9Å; H429-H433 VanDerWaalsContact NE2-NE2 3.13Å; Q430-H433 PolarHBondContact O-N 2.98Å; H433-G435 VanDerWaalsContact C-N 3.26Å; H433-G435 PolarHBondContact O-N 3.22Å
434	T	93.5	Very high	94.5	Very high	80 Å²	80	74.1 Å²	74.1	49%	0.491	39%	0.387	S	S	.	.	H	α-helix	trans	-73.9	-19.9	177.1	65	0	0	0	0	113	Q430 R431 E436	Q430-T434 PolarHBondContact O-N 3.14Å; Q430-T434 PolarHBondContact O-OG1 3.3Å; R431-T434 WeakPolarHBondContact CA-OG1 3.49Å; T434-E436 PolarHBondContact O-N 3.41Å; T434-E436 WeakPolarHBondContact OG1-CG 3.48Å; T434-E436 PolarHBondContact OG1-N 3.04Å
435	G	92.9	Very high	94.6	Very high	45 Å²	45	72.8 Å²	72.8	46%	0.464	38%	0.384	S	S	.	.			trans	72.8	7.3	-174.5	0	0	0	0	0	114.1	R431 H433 K437	R431-G435 CarbonylContact O-C 3.38Å; R431-G435 VanDerWaalsContact O-CA 3.3Å; R431-G435 WeakPolarHBondContact O-CA 3.22Å; R431-G435 PolarHBondContact O-N 3.14Å; H433-G435 VanDerWaalsContact C-N 3.26Å; H433-G435 PolarHBondContact O-N 3.22Å; G435-K437 PolarHBondContact O-N 3.39Å
436	E	95	Very high	94.8	Very high	111 Å²	111	75.9 Å²	75.9	52%	0.519	40%	0.395	S	S	.	.			trans	-58.6	130.4	178.9	-78.2	-177.8	-177.8	0	0	112	R431 T434	R431-E436 HydrophobicContact CB-CB 4.37Å; R431-E436 HydrophobicContact CG-CB 4.24Å; R431-E436 PolarHBondContact O-N 3.18Å; T434-E436 PolarHBondContact O-N 3.41Å; T434-E436 WeakPolarHBondContact OG1-CG 3.48Å; T434-E436 PolarHBondContact OG1-N 3.04Å
437	K	95.1	Very high	94.8	Very high	125 Å²	125	76.9 Å²	76.9	54%	0.543	40%	0.404	S	S	.	.			trans	-130.7	76.5	178.2	-69.9	172	178.2	-174.4	0	110.7	G435 Y439 S447 F448	G435-K437 PolarHBondContact O-N 3.39Å; K437-Y439 PolarHBondContact O-N 2.88Å; K437-Y439 VanDerWaalsContact O-N 3.11Å; K437-S447 WeakPolarHBondContact CD-O 3.32Å; K437-F448 CarbonylContact C-O 3.54Å; K437-F448 VanDerWaalsContact CA-O 3.22Å; K437-F448 WeakPolarHBondContact CA-O 3.47Å
438	P	94.9	Very high	94.9	Very high	73 Å²	73	74.6 Å²	74.6	47%	0.474	39%	0.391	S	S	.	.			trans	-67.6	-12.8	-171.8	-21.3	34.5	0	0	0	114.8
439	Y	96.6	Very high	94.9	Very high	75 Å²	75	74.1 Å²	74.1	29%	0.294	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	99.9	-172.6	-53.2	-73.9	0	0	0	110.3	K437 S447 F448 N449 S451	K437-Y439 PolarHBondContact O-N 2.88Å; K437-Y439 VanDerWaalsContact O-N 3.11Å; Y439-S447 CarbonylContact O-C 3.59Å; Y439-S447 VanDerWaalsContact O-CA 3.28Å; Y439-S447 WeakPolarHBondContact O-CA 3.43Å; Y439-F448 WeakPolarHBondContact CD2-O 3.49Å; Y439-F448 PolarHBondContact N-O 3.09Å; Y439-F448 VanDerWaalsContact N-O 3.15Å; Y439-F448 PolarHBondContact O-N 3.01Å; Y439-N449 WeakPolarHBondContact CE2-O 3.43Å; Y439-S451 VanDerWaalsContact CD2-N 3.29Å; Y439-S451 VanDerWaalsContact CE2-N 3.29Å
440	E	96.9	Very high	94.9	Very high	110 Å²	110	75.8 Å²	75.8	51%	0.514	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	140.8	-180	-171.7	173	169	0	0	112.4	L454	E440-L454 WeakPolarHBondContact O-CD2 3.3Å
441	C	96.6	Very high	94.9	Very high	0 Å²	0	75.4 Å²	75.4	0%	0	40%	0.403	C	S	.	.			trans	-85.5	114.3	170.1	-177.2	0	0	0	0	110.2	E443 C444 G445 K446 L454	C441-E443 PolarHBondContact O-N 3.31Å; C441-C444 PolarHBondContact O-N 2.99Å; C441-G445 VanDerWaalsContact O-CA 3.29Å; C441-G445 WeakPolarHBondContact O-CA 3.39Å; C441-G445 PolarHBondContact O-N 3.39Å; C441-K446 WeakPolarHBondContact CB-O 3.27Å; C441-K446 PolarHBondContact N-O 3.41Å; C441-L454 HydrophobicContact CB-CD1 3.58Å
442	N	94.9	Very high	94.8	Very high	156 Å²	156	75.2 Å²	75.2	83%	0.834	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-20.5	-179	-63.3	-20.7	0	0	0	113.6
443	E	94.3	Very high	94.8	Very high	124 Å²	124	71.5 Å²	71.5	58%	0.579	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-29.8	-179.4	-65.1	-172.7	-146.2	0	0	113.9	C441 H461	C441-E443 PolarHBondContact O-N 3.31Å; E443-H461 WeakPolarHBondContact OE2-CB 3.26Å; E443-H461 IonicContact OE2-CE1 3.23Å; E443-H461 IonicContact OE2-CG 3Å; E443-H461 IonicContact OE2-ND1 3.69Å; E443-H461 PolarHBondContact OE2-ND1 2.93Å
444	C	95.6	Very high	94.9	Very high	52 Å²	52	69 Å²	69	35%	0.351	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.6	6.4	-177	70.5	0	0	0	0	115.5	C441 K446 H457 H461	C441-C444 PolarHBondContact O-N 2.99Å; C444-K446 PolarHBondContact O-N 3.05Å; C444-K446 VanDerWaalsContact O-N 3.16Å; C444-H457 PolarHBondContact SG-NE2 3.38Å; C444-H461 PolarHBondContact SG-NE2 3.45Å
445	G	94.3	Very high	94.9	Very high	40 Å²	40	68.4 Å²	68.4	41%	0.412	38%	0.379	S	S	.	.			trans	66.7	10.5	179.2	0	0	0	0	0	114.6	C441 S447	C441-G445 VanDerWaalsContact O-CA 3.29Å; C441-G445 WeakPolarHBondContact O-CA 3.39Å; C441-G445 PolarHBondContact O-N 3.39Å; G445-S447 PolarHBondContact O-N 3.15Å
446	K	95.8	Very high	95	Very high	120 Å²	120	70.1 Å²	70.1	52%	0.522	38%	0.375	S	S	.	.			trans	-78.6	123.7	179.3	-73.8	179.2	-175.3	168.2	0	110.4	C441 C444 F448	C441-K446 WeakPolarHBondContact CB-O 3.27Å; C441-K446 PolarHBondContact N-O 3.41Å; C444-K446 PolarHBondContact O-N 3.05Å; C444-K446 VanDerWaalsContact O-N 3.16Å; K446-F448 HydrophobicContact CB-CE2 4Å; K446-F448 HydrophobicContact CB-CZ 4.11Å; K446-F448 WeakPolarHBondContact O-CD2 3.45Å; K446-F448 VanDerWaalsContact O-CE2 3.25Å; K446-F448 WeakPolarHBondContact O-CE2 3.29Å
447	S	96.2	Very high	94.9	Very high	42 Å²	42	65.4 Å²	65.4	29%	0.294	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	148.1	177.5	-32.1	0	0	0	0	113	K437 Y439 G445	K437-S447 WeakPolarHBondContact CD-O 3.32Å; Y439-S447 CarbonylContact O-C 3.59Å; Y439-S447 VanDerWaalsContact O-CA 3.28Å; Y439-S447 WeakPolarHBondContact O-CA 3.43Å; G445-S447 PolarHBondContact O-N 3.15Å
448	F	95.2	Very high	94.9	Very high	43 Å²	43	62.9 Å²	62.9	19%	0.189	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	151.7	-177.4	-57.2	-90.7	0	0	0	110.6	K437 Y439 K446 A453 L454 H457	K437-F448 CarbonylContact C-O 3.54Å; K437-F448 VanDerWaalsContact CA-O 3.22Å; K437-F448 WeakPolarHBondContact CA-O 3.47Å; Y439-F448 WeakPolarHBondContact CD2-O 3.49Å; Y439-F448 PolarHBondContact N-O 3.09Å; Y439-F448 VanDerWaalsContact N-O 3.15Å; Y439-F448 PolarHBondContact O-N 3.01Å; K446-F448 HydrophobicContact CB-CE2 4Å; K446-F448 HydrophobicContact CB-CZ 4.11Å; K446-F448 WeakPolarHBondContact O-CD2 3.45Å; K446-F448 VanDerWaalsContact O-CE2 3.25Å; K446-F448 WeakPolarHBondContact O-CE2 3.29Å; F448-A453 HydrophobicContact CB-CB 4.08Å; F448-A453 HydrophobicContact CD1-CB 3.84Å; F448-A453 HydrophobicContact CG-CB 4.18Å; F448-L454 HydrophobicContact CB-CB 4.49Å; F448-L454 HydrophobicContact CD2-CB 3.9Å; F448-L454 HydrophobicContact CD2-CD1 3.74Å; F448-L454 HydrophobicContact CD2-CG 4.45Å; F448-L454 HydrophobicContact CE2-CD1 3.84Å; F448-L454 HydrophobicContact CG-CB 4.39Å; F448-H457 HydrophobicContact CE1-CB 4.05Å; F448-H457 HydrophobicContact CE2-CB 3.8Å; F448-H457 AromaticContact CE2-CD2 3.48Å; F448-H457 VanDerWaalsContact CE2-CD2 3.48Å; F448-H457 WeakPolarHBondContact CE2-CD2 3.43Å; F448-H457 AromaticContact CE2-CG 3.63Å; F448-H457 HydrophobicContact CZ-CB 3.42Å; F448-H457 VanDerWaalsContact CZ-CB 3.42Å; F448-H457 AromaticContact CZ-CD2 3.53Å; F448-H457 AromaticContact CZ-CG 3.23Å; F448-H457 AromaticContact CZ-ND1 3.71Å
449	N	93.6	Very high	94.9	Very high	43 Å²	43	61.6 Å²	61.6	23%	0.23	33%	0.329	C	S	.	.	S	Bend	trans	-83.4	-13.7	177.1	63.4	-9.9	0	0	0	113.4	R431 Y439	R431-N449 HydrophobicContact CB-CB 4.25Å; R431-N449 PolarHBondContact NH1-O 3.14Å; Y439-N449 WeakPolarHBondContact CE2-O 3.43Å
450	Q	94	Very high	94.7	Very high	55 Å²	55	62.1 Å²	62.1	26%	0.257	34%	0.335	S	S	.	.	S	Bend	trans	-129.5	140.8	179.6	-65.8	170	19.4	0	0	110.5	E428 A453 L454	E428-Q450 HydrophobicContact CG-CG 3.99Å; E428-Q450 VanDerWaalsContact OE1-CG 3.27Å; E428-Q450 WeakPolarHBondContact OE1-CG 3.5Å; E428-Q450 PolarHBondContact OE1-NE2 3.2Å; Q450-A453 HydrophobicContact CB-CB 4.2Å; Q450-A453 WeakPolarHBondContact O-CB 3.31Å; Q450-A453 PolarHBondContact O-N 3.5Å; Q450-L454 PolarHBondContact O-N 2.72Å
451	S	94.9	Very high	94.5	Very high	62 Å²	62	60 Å²	60	43%	0.434	33%	0.326	S	S	.	.	H	α-helix	trans	-66.8	-36.1	177	56.7	0	0	0	0	112.4	Y439 A453 L454 T455	Y439-S451 VanDerWaalsContact CD2-N 3.29Å; Y439-S451 VanDerWaalsContact CE2-N 3.29Å; S451-A453 VanDerWaalsContact C-N 3.26Å; S451-A453 PolarHBondContact O-N 3.26Å; S451-L454 WeakPolarHBondContact O-CB 3.41Å; S451-L454 PolarHBondContact O-N 2.94Å; S451-L454 VanDerWaalsContact O-N 3.11Å; S451-T455 PolarHBondContact O-N 3.34Å; S451-T455 PolarHBondContact O-OG1 3.42Å
452	S	93.1	Very high	94.3	Very high	45 Å²	45	63.9 Å²	63.9	32%	0.315	35%	0.349	S	S	.	.	H	α-helix	trans	-62.5	-34.3	177	57.9	0	0	0	0	112.5	T455 Q456	S452-T455 PolarHBondContact O-N 2.78Å; S452-Q456 WeakPolarHBondContact O-CB 3.47Å; S452-Q456 PolarHBondContact O-N 3.3Å
453	A	94.1	Very high	94.2	Very high	23 Å²	23	58.4 Å²	58.4	19%	0.19	33%	0.33	C	S	.	.	H	α-helix	trans	-66.7	-40	173.9	0	0	0	0	0	111.6	F448 Q450 S451 Q456 H457	F448-A453 HydrophobicContact CB-CB 4.08Å; F448-A453 HydrophobicContact CD1-CB 3.84Å; F448-A453 HydrophobicContact CG-CB 4.18Å; Q450-A453 HydrophobicContact CB-CB 4.2Å; Q450-A453 WeakPolarHBondContact O-CB 3.31Å; Q450-A453 PolarHBondContact O-N 3.5Å; S451-A453 VanDerWaalsContact C-N 3.26Å; S451-A453 PolarHBondContact O-N 3.26Å; A453-Q456 PolarHBondContact O-N 2.51Å; A453-H457 VanDerWaalsContact O-CB 3.24Å; A453-H457 WeakPolarHBondContact O-CB 3.4Å; A453-H457 PolarHBondContact O-N 3.21Å
454	L	95.9	Very high	94.1	Very high	26 Å²	26	57.6 Å²	57.6	14%	0.136	33%	0.326	C	S	.	.	H	α-helix	trans	-63.8	-47.7	172.4	177	64.1	0	0	0	111.7	E440 C441 F448 Q450 S451 Q456 H457 H458	E440-L454 WeakPolarHBondContact O-CD2 3.3Å; C441-L454 HydrophobicContact CB-CD1 3.58Å; F448-L454 HydrophobicContact CB-CB 4.49Å; F448-L454 HydrophobicContact CD2-CB 3.9Å; F448-L454 HydrophobicContact CD2-CD1 3.74Å; F448-L454 HydrophobicContact CD2-CG 4.45Å; F448-L454 HydrophobicContact CE2-CD1 3.84Å; F448-L454 HydrophobicContact CG-CB 4.39Å; Q450-L454 PolarHBondContact O-N 2.72Å; S451-L454 WeakPolarHBondContact O-CB 3.41Å; S451-L454 PolarHBondContact O-N 2.94Å; S451-L454 VanDerWaalsContact O-N 3.11Å; L454-Q456 VanDerWaalsContact C-N 3.31Å; L454-Q456 PolarHBondContact O-N 2.84Å; L454-H457 CarbonylContact O-C 3.58Å; L454-H457 WeakPolarHBondContact O-CA 3.46Å; L454-H457 WeakPolarHBondContact O-CB 3.45Å; L454-H457 PolarHBondContact O-N 3.22Å; L454-H458 WeakPolarHBondContact CD1-NE2 3.47Å; L454-H458 PolarHBondContact O-CD2 2.91Å; L454-H458 VanDerWaalsContact O-CD2 3.31Å; L454-H458 PolarHBondContact O-N 2.81Å
455	T	94.1	Very high	94	Very high	67 Å²	67	60.3 Å²	60.3	41%	0.411	33%	0.332	S	S	.	.	H	α-helix	trans	-59.3	-42.2	176.8	-54.2	0	0	0	0	111.8	S451 S452 H457 H458	S451-T455 PolarHBondContact O-N 3.34Å; S451-T455 PolarHBondContact O-OG1 3.42Å; S452-T455 PolarHBondContact O-N 2.78Å; T455-H457 VanDerWaalsContact C-N 3.3Å; T455-H457 PolarHBondContact O-N 3.04Å; T455-H458 PolarHBondContact O-N 3.1Å
456	Q	93.2	Very high	93.9	Very high	80 Å²	80	61.9 Å²	61.9	37%	0.374	33%	0.334	S	S	.	.	H	α-helix	trans	-65.2	-36.9	174.8	177.9	173.9	86.9	0	0	111.7	S452 A453 L454 R459 H478	S452-Q456 WeakPolarHBondContact O-CB 3.47Å; S452-Q456 PolarHBondContact O-N 3.3Å; A453-Q456 PolarHBondContact O-N 2.51Å; L454-Q456 VanDerWaalsContact C-N 3.31Å; L454-Q456 PolarHBondContact O-N 2.84Å; Q456-R459 WeakPolarHBondContact O-CB 3.36Å; Q456-R459 PolarHBondContact O-N 2.96Å; Q456-H478 VanDerWaalsContact CG-CE1 3.43Å; Q456-H478 WeakPolarHBondContact CG-CE1 3.42Å; Q456-H478 PolarHBondContact NE2-ND1 2.82Å; Q456-H478 PolarHBondContact OE1-CE1 3.13Å; Q456-H478 PolarHBondContact OE1-ND1 3.31Å
457	H	94.6	Very high	93.9	Very high	13 Å²	13	59.5 Å²	59.5	6%	0.06	32%	0.323	C	S	.	.	H	α-helix	trans	-66.5	-35.9	176.1	175.3	65.3	0	0	0	112.7	C444 F448 A453 L454 T455 R459 I460 H461	C444-H457 PolarHBondContact SG-NE2 3.38Å; F448-H457 HydrophobicContact CE1-CB 4.05Å; F448-H457 HydrophobicContact CE2-CB 3.8Å; F448-H457 AromaticContact CE2-CD2 3.48Å; F448-H457 VanDerWaalsContact CE2-CD2 3.48Å; F448-H457 WeakPolarHBondContact CE2-CD2 3.43Å; F448-H457 AromaticContact CE2-CG 3.63Å; F448-H457 HydrophobicContact CZ-CB 3.42Å; F448-H457 VanDerWaalsContact CZ-CB 3.42Å; F448-H457 AromaticContact CZ-CD2 3.53Å; F448-H457 AromaticContact CZ-CG 3.23Å; F448-H457 AromaticContact CZ-ND1 3.71Å; A453-H457 VanDerWaalsContact O-CB 3.24Å; A453-H457 WeakPolarHBondContact O-CB 3.4Å; A453-H457 PolarHBondContact O-N 3.21Å; L454-H457 CarbonylContact O-C 3.58Å; L454-H457 WeakPolarHBondContact O-CA 3.46Å; L454-H457 WeakPolarHBondContact O-CB 3.45Å; L454-H457 PolarHBondContact O-N 3.22Å; T455-H457 VanDerWaalsContact C-N 3.3Å; T455-H457 PolarHBondContact O-N 3.04Å; H457-R459 PolarHBondContact O-N 2.86Å; H457-R459 VanDerWaalsContact O-N 3.14Å; H457-I460 WeakPolarHBondContact O-CB 3.31Å; H457-I460 VanDerWaalsContact O-CG1 3.22Å; H457-I460 WeakPolarHBondContact O-CG1 3.45Å; H457-I460 PolarHBondContact O-N 2.94Å; H457-H461 AromaticContact CE1-NE2 3.75Å; H457-H461 AromaticContact NE2-CD2 3.9Å; H457-H461 AromaticContact NE2-NE2 3.33Å; H457-H461 PolarHBondContact NE2-NE2 3.5Å
458	H	94.2	Very high	93.8	Very high	71 Å²	71	61.7 Å²	61.7	33%	0.329	33%	0.328	S	S	.	.	H	α-helix	trans	-57.9	-28.6	175.1	-76.6	-159.7	0	0	0	112.7	L454 T455 I460 H461 T462	L454-H458 WeakPolarHBondContact CD1-NE2 3.47Å; L454-H458 PolarHBondContact O-CD2 2.91Å; L454-H458 VanDerWaalsContact O-CD2 3.31Å; L454-H458 PolarHBondContact O-N 2.81Å; T455-H458 PolarHBondContact O-N 3.1Å; H458-I460 PolarHBondContact O-N 3.18Å; H458-I460 VanDerWaalsContact O-N 3.09Å; H458-H461 WeakPolarHBondContact O-CB 3.3Å; H458-H461 PolarHBondContact O-N 2.94Å; H458-T462 PolarHBondContact O-N 3.3Å; H458-T462 PolarHBondContact O-OG1 3.42Å
459	R	94.4	Very high	93.8	Very high	47 Å²	47	59.7 Å²	59.7	18%	0.177	32%	0.319	C	S	.	.	H	α-helix	trans	-65.2	-13	173.6	-55.7	179.1	-179.1	170.3	0.6	114	Q456 H457 G463 E464 Y467 R477	Q456-R459 WeakPolarHBondContact O-CB 3.36Å; Q456-R459 PolarHBondContact O-N 2.96Å; H457-R459 PolarHBondContact O-N 2.86Å; H457-R459 VanDerWaalsContact O-N 3.14Å; R459-G463 PolarHBondContact O-N 3.36Å; R459-E464 HydrophobicContact CB-CB 4.39Å; R459-E464 HydrophobicContact CG-CB 4.34Å; R459-Y467 VanDerWaalsContact NH1-CE2 3.3Å; R459-Y467 PolarHBondContact NH1-OH 3.39Å; R459-R477 HydrophobicContact CB-CG 3.68Å; R459-R477 PolarHBondContact NH1-O 2.95Å; R459-R477 PolarHBondContact O-NE 3.25Å; R459-R477 PolarHBondContact O-NH2 3.38Å
460	I	93.1	Very high	93.8	Very high	85 Å²	85	61.8 Å²	61.8	44%	0.436	34%	0.337	S	S	.	.	H	α-helix	trans	-71.2	-41.3	170.6	-53.5	-170.1	0	0	0	110.2	H457 H458	H457-I460 WeakPolarHBondContact O-CB 3.31Å; H457-I460 VanDerWaalsContact O-CG1 3.22Å; H457-I460 WeakPolarHBondContact O-CG1 3.45Å; H457-I460 PolarHBondContact O-N 2.94Å; H458-I460 PolarHBondContact O-N 3.18Å; H458-I460 VanDerWaalsContact O-N 3.09Å
461	H	93.1	Very high	93.7	Very high	67 Å²	67	64.8 Å²	64.8	31%	0.31	35%	0.352	S	S	.	.	H	α-helix	trans	-76.2	-50.3	-178.4	-68.2	-79.6	0	0	0	112.2	E443 C444 H457 H458 G463	E443-H461 WeakPolarHBondContact OE2-CB 3.26Å; E443-H461 IonicContact OE2-CE1 3.23Å; E443-H461 IonicContact OE2-CG 3Å; E443-H461 IonicContact OE2-ND1 3.69Å; E443-H461 PolarHBondContact OE2-ND1 2.93Å; C444-H461 PolarHBondContact SG-NE2 3.45Å; H457-H461 AromaticContact CE1-NE2 3.75Å; H457-H461 AromaticContact NE2-CD2 3.9Å; H457-H461 AromaticContact NE2-NE2 3.33Å; H457-H461 PolarHBondContact NE2-NE2 3.5Å; H458-H461 WeakPolarHBondContact O-CB 3.3Å; H458-H461 PolarHBondContact O-N 2.94Å; H461-G463 PolarHBondContact O-N 3.47Å
462	T	92.3	Very high	93.7	Very high	81 Å²	81	64.1 Å²	64.1	50%	0.497	35%	0.346	S	S	.	.	S	Bend	trans	-73.2	-15.3	180	63.3	0	0	0	0	113.3	H458 E464	H458-T462 PolarHBondContact O-N 3.3Å; H458-T462 PolarHBondContact O-OG1 3.42Å; T462-E464 PolarHBondContact O-N 2.91Å; T462-E464 WeakPolarHBondContact OG1-CG 3.49Å; T462-E464 PolarHBondContact OG1-N 3.35Å
463	G	91.4	Very high	93.7	Very high	41 Å²	41	70.5 Å²	70.5	42%	0.423	36%	0.363	S	S	.	.			trans	71.2	3.6	-175	0	0	0	0	0	114.3	R459 H461 K465	R459-G463 PolarHBondContact O-N 3.36Å; H461-G463 PolarHBondContact O-N 3.47Å; G463-K465 PolarHBondContact O-N 2.87Å
464	E	93.3	Very high	93.7	Very high	106 Å²	106	75.4 Å²	75.4	50%	0.495	38%	0.381	S	S	.	.			trans	-55.9	134	-178.9	-78.2	176.5	-166.2	0	0	112.8	R459 T462 P466	R459-E464 HydrophobicContact CB-CB 4.39Å; R459-E464 HydrophobicContact CG-CB 4.34Å; T462-E464 PolarHBondContact O-N 2.91Å; T462-E464 WeakPolarHBondContact OG1-CG 3.49Å; T462-E464 PolarHBondContact OG1-N 3.35Å; E464-P466 HydrophobicContact CB-CG 4.49Å
465	K	93.3	Very high	93.6	Very high	110 Å²	110	77.1 Å²	77.1	48%	0.478	39%	0.392	S	S	.	.			trans	-129.6	75	175.4	-66.7	176.4	-176.1	175.5	0	110.5	G463 Y467 T475 F476 R477	G463-K465 PolarHBondContact O-N 2.87Å; K465-Y467 PolarHBondContact O-N 3.46Å; K465-Y467 VanDerWaalsContact O-N 3.08Å; K465-T475 WeakPolarHBondContact CD-OG1 3.46Å; K465-F476 CarbonylContact C-O 3.48Å; K465-F476 VanDerWaalsContact C-O 3.31Å; K465-F476 WeakPolarHBondContact CA-O 3.28Å; K465-R477 HydrophobicContact CG-CB 4.43Å
466	P	92.9	Very high	93.6	Very high	72 Å²	72	76.1 Å²	76.1	47%	0.468	38%	0.382	S	S	.	.			trans	-68.2	-12.9	-169.6	-20.9	34.1	0	0	0	114.7	E464	E464-P466 HydrophobicContact CB-CG 4.49Å
467	Y	94.3	Very high	93.5	Very high	71 Å²	71	75.8 Å²	75.8	28%	0.278	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	103.6	-173.3	-54.8	-72.3	0	0	0	110.5	R459 K465 T475 F476 R477 R479	R459-Y467 VanDerWaalsContact NH1-CE2 3.3Å; R459-Y467 PolarHBondContact NH1-OH 3.39Å; K465-Y467 PolarHBondContact O-N 3.46Å; K465-Y467 VanDerWaalsContact O-N 3.08Å; Y467-T475 CarbonylContact O-C 3.56Å; Y467-T475 VanDerWaalsContact O-CA 3.31Å; Y467-T475 WeakPolarHBondContact O-CA 3.32Å; Y467-F476 WeakPolarHBondContact CD2-O 3.37Å; Y467-F476 PolarHBondContact N-O 3.4Å; Y467-F476 PolarHBondContact O-N 3.48Å; Y467-R477 WeakPolarHBondContact CE2-O 3.44Å; Y467-R479 HydrophobicContact CD1-CB 4.14Å; Y467-R479 VanDerWaalsContact CD2-N 3.32Å; Y467-R479 HydrophobicContact CE1-CB 3.94Å; Y467-R479 HydrophobicContact CE1-CG 4.5Å; Y467-R479 HydrophobicContact CE2-CB 4.3Å; Y467-R479 VanDerWaalsContact CE2-N 3.3Å; Y467-R479 HydrophobicContact CG-CB 4.43Å
468	E	95.6	Very high	93.4	Very high	88 Å²	88	78 Å²	78	41%	0.411	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	140.4	178	-170	-179.6	138.1	0	0	111.7	R473 T475	E468-R473 WeakPolarHBondContact OE1-CD 3.48Å; E468-R473 IonicContact OE1-CZ 3.39Å; E468-R473 IonicContact OE1-NE 3.93Å; E468-R473 IonicContact OE1-NH1 3.2Å; E468-R473 PolarHBondContact OE1-NH1 2.89Å; E468-T475 HydrophobicContact CB-CG2 4.14Å; E468-T475 HydrophobicContact CG-CG2 4.07Å
469	C	95	Very high	93.3	Very high	0 Å²	0	82.5 Å²	82.5	0%	0	40%	0.402	C	S	.	.			trans	-79.3	122.6	169.4	-178.7	0	0	0	0	110.3	E471 C472 R473 K474 F476 L482 H489	C469-E471 PolarHBondContact O-N 2.86Å; C469-C472 VanDerWaalsContact SG-SG 3.63Å; C469-R473 WeakPolarHBondContact O-CA 3.21Å; C469-R473 PolarHBondContact O-N 3.2Å; C469-K474 WeakPolarHBondContact CB-O 3.46Å; C469-K474 PolarHBondContact N-O 3.44Å; C469-F476 HydrophobicContact CB-CE2 4.38Å; C469-L482 HydrophobicContact CB-CD1 3.7Å; C469-H489 PolarHBondContact SG-NE2 2.91Å
470	S	92.8	Very high	93.2	Very high	87 Å²	87	84.3 Å²	84.3	61%	0.608	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-29.3	178.4	48.3	0	0	0	0	113.8
471	E	92.4	Very high	93.2	Very high	119 Å²	119	81.2 Å²	81.2	56%	0.556	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-41.6	-173.8	-65.2	172.9	-129	0	0	112.8	C469 H489	C469-E471 PolarHBondContact O-N 2.86Å; E471-H489 IonicContact OE1-CD2 3.17Å; E471-H489 WeakPolarHBondContact OE2-CB 3.3Å; E471-H489 IonicContact OE2-CD2 2.66Å; E471-H489 PolarHBondContact OE2-CD2 3.49Å; E471-H489 IonicContact OE2-CG 2.73Å
472	C	94.6	Very high	93.2	Very high	47 Å²	47	78.8 Å²	78.8	32%	0.318	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.6	4.8	-174.4	77.3	0	0	0	0	114.3	C469 K474 H485	C469-C472 VanDerWaalsContact SG-SG 3.63Å; C472-K474 PolarHBondContact O-N 2.93Å; C472-K474 VanDerWaalsContact SG-CG 3.56Å; C472-H485 PolarHBondContact SG-NE2 3.47Å
473	R	93.5	Very high	93.3	Very high	179 Å²	179	78.6 Å²	78.6	68%	0.675	40%	0.395	S	S	*	.			trans	60.9	9.3	177.5	-55	-67.8	-173.7	148.5	4.6	115.3	E468 C469	E468-R473 WeakPolarHBondContact OE1-CD 3.48Å; E468-R473 IonicContact OE1-CZ 3.39Å; E468-R473 IonicContact OE1-NE 3.93Å; E468-R473 IonicContact OE1-NH1 3.2Å; E468-R473 PolarHBondContact OE1-NH1 2.89Å; C469-R473 WeakPolarHBondContact O-CA 3.21Å; C469-R473 PolarHBondContact O-N 3.2Å
474	K	94.1	Very high	93.4	Very high	127 Å²	127	83.5 Å²	83.5	55%	0.552	41%	0.407	S	S	*	.			trans	-67.8	134	174.7	-72.7	-179.4	-177.7	177.5	0	110.6	C469 C472 F476	C469-K474 WeakPolarHBondContact CB-O 3.46Å; C469-K474 PolarHBondContact N-O 3.44Å; C472-K474 PolarHBondContact O-N 2.93Å; C472-K474 VanDerWaalsContact SG-CG 3.56Å; K474-F476 HydrophobicContact CB-CE2 3.85Å; K474-F476 HydrophobicContact CB-CZ 4.02Å; K474-F476 WeakPolarHBondContact O-CD2 3.31Å; K474-F476 VanDerWaalsContact O-CE2 3.3Å; K474-F476 WeakPolarHBondContact O-CE2 2.96Å
475	T	94.6	Very high	93.4	Very high	62 Å²	62	79.6 Å²	79.6	38%	0.38	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	144.7	-179.5	61.1	0	0	0	0	112.1	K465 Y467 E468	K465-T475 WeakPolarHBondContact CD-OG1 3.46Å; Y467-T475 CarbonylContact O-C 3.56Å; Y467-T475 VanDerWaalsContact O-CA 3.31Å; Y467-T475 WeakPolarHBondContact O-CA 3.32Å; E468-T475 HydrophobicContact CB-CG2 4.14Å; E468-T475 HydrophobicContact CG-CG2 4.07Å
476	F	93.1	Very high	93.3	Very high	46 Å²	46	76.7 Å²	76.7	20%	0.202	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	145.9	-176.5	-59.4	-91.4	0	0	0	110.2	K465 Y467 C469 K474 L482 H485	K465-F476 CarbonylContact C-O 3.48Å; K465-F476 VanDerWaalsContact C-O 3.31Å; K465-F476 WeakPolarHBondContact CA-O 3.28Å; Y467-F476 WeakPolarHBondContact CD2-O 3.37Å; Y467-F476 PolarHBondContact N-O 3.4Å; Y467-F476 PolarHBondContact O-N 3.48Å; C469-F476 HydrophobicContact CB-CE2 4.38Å; K474-F476 HydrophobicContact CB-CE2 3.85Å; K474-F476 HydrophobicContact CB-CZ 4.02Å; K474-F476 WeakPolarHBondContact O-CD2 3.31Å; K474-F476 VanDerWaalsContact O-CE2 3.3Å; K474-F476 WeakPolarHBondContact O-CE2 2.96Å; F476-L482 HydrophobicContact CB-CB 4.32Å; F476-L482 HydrophobicContact CD2-CB 3.89Å; F476-L482 HydrophobicContact CD2-CD1 3.93Å; F476-L482 HydrophobicContact CE2-CD1 4.04Å; F476-L482 HydrophobicContact CG-CB 4.22Å; F476-H485 HydrophobicContact CE1-CB 3.79Å; F476-H485 HydrophobicContact CE2-CB 3.91Å; F476-H485 AromaticContact CE2-CD2 3.45Å; F476-H485 VanDerWaalsContact CE2-CD2 3.45Å; F476-H485 WeakPolarHBondContact CE2-CD2 3.09Å; F476-H485 AromaticContact CE2-CG 3.8Å; F476-H485 HydrophobicContact CZ-CB 3.32Å; F476-H485 AromaticContact CZ-CD2 3.36Å; F476-H485 WeakPolarHBondContact CZ-CD2 3.34Å; F476-H485 AromaticContact CZ-CG 3.24Å
477	R	91.7	Very high	93.3	Very high	73 Å²	73	81.4 Å²	81.4	28%	0.275	39%	0.385	S	S	.	.	S	Bend	trans	-74.4	-27.2	176.8	179.1	-174.8	-66.5	151.2	-1.4	112.8	R459 K465 Y467	R459-R477 HydrophobicContact CB-CG 3.68Å; R459-R477 PolarHBondContact NH1-O 2.95Å; R459-R477 PolarHBondContact O-NE 3.25Å; R459-R477 PolarHBondContact O-NH2 3.38Å; K465-R477 HydrophobicContact CG-CB 4.43Å; Y467-R477 WeakPolarHBondContact CE2-O 3.44Å
478	H	91.4	Very high	93.2	Very high	60 Å²	60	81.8 Å²	81.8	28%	0.278	40%	0.395	S	S	.	.	S	Bend	trans	-126.8	140.5	-176.4	-58.9	-129	0	0	0	110.6	Q456 S480 G481 L482	Q456-H478 VanDerWaalsContact CG-CE1 3.43Å; Q456-H478 WeakPolarHBondContact CG-CE1 3.42Å; Q456-H478 PolarHBondContact NE2-ND1 2.82Å; Q456-H478 PolarHBondContact OE1-CE1 3.13Å; Q456-H478 PolarHBondContact OE1-ND1 3.31Å; H478-S480 PolarHBondContact O-N 3.31Å; H478-G481 PolarHBondContact O-N 3.37Å; H478-L482 PolarHBondContact O-N 3.02Å
479	R	91.9	Very high	92.8	Very high	164 Å²	164	80.1 Å²	80.1	62%	0.619	39%	0.387	S	S	*	.	H	α-helix	trans	-58.6	-35.5	175.7	-172.6	178.3	-175.6	-170.6	1.5	112.6	Y467 G481 L482 M483	Y467-R479 HydrophobicContact CD1-CB 4.14Å; Y467-R479 VanDerWaalsContact CD2-N 3.32Å; Y467-R479 HydrophobicContact CE1-CB 3.94Å; Y467-R479 HydrophobicContact CE1-CG 4.5Å; Y467-R479 HydrophobicContact CE2-CB 4.3Å; Y467-R479 VanDerWaalsContact CE2-N 3.3Å; Y467-R479 HydrophobicContact CG-CB 4.43Å; R479-G481 VanDerWaalsContact C-N 3.27Å; R479-G481 PolarHBondContact O-N 3.22Å; R479-L482 PolarHBondContact O-N 2.73Å; R479-M483 HydrophobicContact CG-CE 4.42Å; R479-M483 HydrophobicContact CG-CG 4.33Å; R479-M483 VanDerWaalsContact O-CG 3.28Å; R479-M483 WeakPolarHBondContact O-CG 3.28Å; R479-M483 PolarHBondContact O-N 2.66Å
480	S	92.4	Very high	92	Very high	85 Å²	85	85.2 Å²	85.2	59%	0.594	42%	0.418	S	S	*	.	H	α-helix	trans	-61.8	-35.5	175.9	54.3	0	0	0	0	112.6	H478 M483 Q484	H478-S480 PolarHBondContact O-N 3.31Å; S480-M483 PolarHBondContact O-N 2.79Å; S480-Q484 WeakPolarHBondContact O-CB 3.33Å; S480-Q484 PolarHBondContact O-N 3.03Å
481	G	93.4	Very high	90.5	Very high	21 Å²	21	91.5 Å²	91.5	22%	0.216	43%	0.429	C	S	.	.	H	α-helix	trans	-66.6	-44.4	174.9	0	0	0	0	0	111.7	H478 R479 Q484 H485	H478-G481 PolarHBondContact O-N 3.37Å; R479-G481 VanDerWaalsContact C-N 3.27Å; R479-G481 PolarHBondContact O-N 3.22Å; G481-Q484 PolarHBondContact O-N 2.94Å; G481-H485 WeakPolarHBondContact O-CB 3.3Å; G481-H485 PolarHBondContact O-N 3.14Å
482	L	94.3	Very high	88.5	Confident	15 Å²	15	94.8 Å²	94.8	8%	0.079	46%	0.456	C	S	.	.	H	α-helix	trans	-59.6	-48.5	172.8	172.5	61.6	0	0	0	111.5	C469 F476 H478 R479 Q484 H485 Q486	C469-L482 HydrophobicContact CB-CD1 3.7Å; F476-L482 HydrophobicContact CB-CB 4.32Å; F476-L482 HydrophobicContact CD2-CB 3.89Å; F476-L482 HydrophobicContact CD2-CD1 3.93Å; F476-L482 HydrophobicContact CE2-CD1 4.04Å; F476-L482 HydrophobicContact CG-CB 4.22Å; H478-L482 PolarHBondContact O-N 3.02Å; R479-L482 PolarHBondContact O-N 2.73Å; L482-Q484 VanDerWaalsContact C-N 3.32Å; L482-Q484 PolarHBondContact O-N 2.99Å; L482-H485 CarbonylContact O-C 3.58Å; L482-H485 WeakPolarHBondContact O-CB 3.25Å; L482-H485 PolarHBondContact O-N 2.86Å; L482-H485 VanDerWaalsContact O-N 3.1Å; L482-Q486 HydrophobicContact CD1-CG 3.93Å; L482-Q486 HydrophobicContact CG-CG 4.35Å; L482-Q486 WeakPolarHBondContact O-CG 3.32Å; L482-Q486 PolarHBondContact O-N 3.27Å
483	M	93.1	Very high	88.2	Confident	78 Å²	78	97.2 Å²	97.2	38%	0.384	46%	0.463	S	S	.	.	H	α-helix	trans	-61.5	-39.4	179.8	-70.7	-73.9	149.3	0	0	112.3	R479 S480 H485 R487	R479-M483 HydrophobicContact CG-CE 4.42Å; R479-M483 HydrophobicContact CG-CG 4.33Å; R479-M483 VanDerWaalsContact O-CG 3.28Å; R479-M483 WeakPolarHBondContact O-CG 3.28Å; R479-M483 PolarHBondContact O-N 2.66Å; S480-M483 PolarHBondContact O-N 2.79Å; M483-H485 VanDerWaalsContact C-N 3.35Å; M483-R487 WeakPolarHBondContact O-CG 3.47Å; M483-R487 PolarHBondContact O-N 3.03Å
484	Q	93.1	Very high	87.9	Confident	143 Å²	143	92.8 Å²	92.8	67%	0.668	45%	0.452	S	S	*	.	H	α-helix	trans	-66	-40.2	174.3	-177.4	176.3	11.5	0	0	111.4	S480 G481 L482 R487	S480-Q484 WeakPolarHBondContact O-CB 3.33Å; S480-Q484 PolarHBondContact O-N 3.03Å; G481-Q484 PolarHBondContact O-N 2.94Å; L482-Q484 VanDerWaalsContact C-N 3.32Å; L482-Q484 PolarHBondContact O-N 2.99Å; Q484-R487 WeakPolarHBondContact O-CB 3.39Å; Q484-R487 PolarHBondContact O-N 2.89Å
485	H	93.4	Very high	87.6	Confident	24 Å²	24	90.9 Å²	90.9	11%	0.111	45%	0.446	C	S	.	.	H	α-helix	trans	-67.3	-41.1	176.7	173.4	56.3	0	0	0	112.6	C472 F476 G481 L482 M483 R487 T488 H489	C472-H485 PolarHBondContact SG-NE2 3.47Å; F476-H485 HydrophobicContact CE1-CB 3.79Å; F476-H485 HydrophobicContact CE2-CB 3.91Å; F476-H485 AromaticContact CE2-CD2 3.45Å; F476-H485 VanDerWaalsContact CE2-CD2 3.45Å; F476-H485 WeakPolarHBondContact CE2-CD2 3.09Å; F476-H485 AromaticContact CE2-CG 3.8Å; F476-H485 HydrophobicContact CZ-CB 3.32Å; F476-H485 AromaticContact CZ-CD2 3.36Å; F476-H485 WeakPolarHBondContact CZ-CD2 3.34Å; F476-H485 AromaticContact CZ-CG 3.24Å; G481-H485 WeakPolarHBondContact O-CB 3.3Å; G481-H485 PolarHBondContact O-N 3.14Å; L482-H485 CarbonylContact O-C 3.58Å; L482-H485 WeakPolarHBondContact O-CB 3.25Å; L482-H485 PolarHBondContact O-N 2.86Å; L482-H485 VanDerWaalsContact O-N 3.1Å; M483-H485 VanDerWaalsContact C-N 3.35Å; H485-R487 PolarHBondContact O-N 3.38Å; H485-R487 VanDerWaalsContact O-N 3.11Å; H485-T488 PolarHBondContact ND1-OG1 3.47Å; H485-T488 WeakPolarHBondContact O-CB 3.5Å; H485-T488 PolarHBondContact O-N 3Å; H485-T488 PolarHBondContact O-OG1 2.93Å; H485-H489 AromaticContact CD2-NE2 3.82Å; H485-H489 AromaticContact CE1-CE1 3.64Å; H485-H489 AromaticContact CE1-NE2 3.52Å; H485-H489 AromaticContact NE2-CE1 3.58Å; H485-H489 AromaticContact NE2-NE2 3.07Å; H485-H489 PolarHBondContact NE2-NE2 3.43Å
486	Q	91.8	Very high	87.2	Confident	50 Å²	50	92.6 Å²	92.6	23%	0.234	45%	0.45	C	S	.	.	H	α-helix	trans	-59.9	-26	177.3	-74.6	174.4	-45.5	0	0	112.8	L482 T488 H489 T490	L482-Q486 HydrophobicContact CD1-CG 3.93Å; L482-Q486 HydrophobicContact CG-CG 4.35Å; L482-Q486 WeakPolarHBondContact O-CG 3.32Å; L482-Q486 PolarHBondContact O-N 3.27Å; Q486-T488 PolarHBondContact O-N 3.41Å; Q486-H489 PolarHBondContact O-N 3.24Å; Q486-T490 PolarHBondContact O-N 3.16Å; Q486-T490 PolarHBondContact O-OG1 3.04Å
487	R	92.3	Very high	86.8	Confident	170 Å²	170	95.6 Å²	95.6	64%	0.642	47%	0.466	S	S	*	.	H	α-helix	trans	-66.7	-18	172.1	-64.8	173.3	-175.7	-175	-1.9	113.8	M483 Q484 H485 H489 T490 R491	M483-R487 WeakPolarHBondContact O-CG 3.47Å; M483-R487 PolarHBondContact O-N 3.03Å; Q484-R487 WeakPolarHBondContact O-CB 3.39Å; Q484-R487 PolarHBondContact O-N 2.89Å; H485-R487 PolarHBondContact O-N 3.38Å; H485-R487 VanDerWaalsContact O-N 3.11Å; R487-H489 VanDerWaalsContact C-N 3.34Å; R487-T490 WeakPolarHBondContact CA-OG1 2.95Å; R487-T490 PolarHBondContact O-OG1 3.12Å; R487-R491 WeakPolarHBondContact O-CG 3.49Å
488	T	92.2	Very high	86.5	Confident	80 Å²	80	97.1 Å²	97.1	49%	0.491	48%	0.478	S	S	.	.	H	α-helix	trans	-77.9	-23.5	175.4	68.5	0	0	0	0	112.1	H485 Q486	H485-T488 PolarHBondContact ND1-OG1 3.47Å; H485-T488 WeakPolarHBondContact O-CB 3.5Å; H485-T488 PolarHBondContact O-N 3Å; H485-T488 PolarHBondContact O-OG1 2.93Å; Q486-T488 PolarHBondContact O-N 3.41Å
489	H	87.5	Confident	86.1	Confident	52 Å²	52	99.7 Å²	99.7	24%	0.241	49%	0.493	C	S	.	.	H	α-helix	trans	-83.4	-28.2	177	-55.8	-49.2	0	0	0	113.1	C469 E471 H485 Q486 R487 R491	C469-H489 PolarHBondContact SG-NE2 2.91Å; E471-H489 IonicContact OE1-CD2 3.17Å; E471-H489 WeakPolarHBondContact OE2-CB 3.3Å; E471-H489 IonicContact OE2-CD2 2.66Å; E471-H489 PolarHBondContact OE2-CD2 3.49Å; E471-H489 IonicContact OE2-CG 2.73Å; H485-H489 AromaticContact CD2-NE2 3.82Å; H485-H489 AromaticContact CE1-CE1 3.64Å; H485-H489 AromaticContact CE1-NE2 3.52Å; H485-H489 AromaticContact NE2-CE1 3.58Å; H485-H489 AromaticContact NE2-NE2 3.07Å; H485-H489 PolarHBondContact NE2-NE2 3.43Å; Q486-H489 PolarHBondContact O-N 3.24Å; R487-H489 VanDerWaalsContact C-N 3.34Å; H489-R491 VanDerWaalsContact C-N 3.29Å; H489-R491 PolarHBondContact O-N 2.89Å
490	T	78.3	Confident	85.7	Confident	107 Å²	107	94.8 Å²	94.8	66%	0.656	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	3.3	176.5	46.7	0	0	0	0	113.7	Q486 R487	Q486-T490 PolarHBondContact O-N 3.16Å; Q486-T490 PolarHBondContact O-OG1 3.04Å; R487-T490 WeakPolarHBondContact CA-OG1 2.95Å; R487-T490 PolarHBondContact O-OG1 3.12Å
491	R	61.2	Low	85.1	Confident	220 Å²	220	95.6 Å²	95.6	83%	0.83	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.2	17.5	178.8	-89.7	-175.6	169.1	-164.7	-4.2	113.5	R487 H489	R487-R491 WeakPolarHBondContact O-CG 3.49Å; H489-R491 VanDerWaalsContact C-N 3.29Å; H489-R491 PolarHBondContact O-N 2.89Å
492	V	50.9	Low	84.4	Confident	187 Å²	187	102.4 Å²	102.4	100%	1.133	50%	0.497	S	S	*	.			trans	-97	0	168	-171.8	0	0	0	0	107.5

Retrieved 492 of 492 residues in 307.4 ms (Link to these results)

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