A0A061IQB7_CRIGR Loading...

25-hydroxyvitamin D-1 alpha hydroxylase

AlphaFold DB , UniProt , Accession A0A061IQB7, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene LOC100760414, Length 508 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	35.6	Very low	27.5	Very low	227 Å²	227	137.7 Å²	137.7	100%	1.118	74%	0.738	S	S	*	*				0	26.5	0	-137.8	168.8	168.5	0	0	113.1
2	T	28.7	Very low	27.7	Very low	125 Å²	125	138.4 Å²	138.4	77%	0.767	74%	0.74	S	S	*	*			trans	-141.4	10.5	-170.5	11.2	0	0	0	0	114.7
3	Q	23.4	Very low	27.7	Very low	173 Å²	173	137.6 Å²	137.6	81%	0.808	74%	0.736	S	S	*	*	S	Bend	trans	-111.7	-22.9	170.9	-83.2	-177.3	-13.7	0	0	113.7	V5 K6	Q3-V5 VanDerWaalsContact C-N 3.27Å; Q3-V5 PolarHBondContact O-N 3.11Å; Q3-K6 PolarHBondContact O-N 3.16Å
4	S	27	Very low	28.2	Very low	105 Å²	105	141.3 Å²	141.3	73%	0.734	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.2	-14.6	178	-45.6	0	0	0	0	114.3
5	V	26.3	Very low	28.8	Very low	108 Å²	108	138.3 Å²	138.3	66%	0.655	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.1	-20.2	-179.9	-177.7	0	0	0	0	112.1	Q3	Q3-V5 VanDerWaalsContact C-N 3.27Å; Q3-V5 PolarHBondContact O-N 3.11Å
6	K	23.8	Very low	29.1	Very low	170 Å²	170	140.1 Å²	140.1	74%	0.739	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.4	-18.5	-179.8	-76.7	-175.5	176.9	180	0	114.4	Q3	Q3-K6 PolarHBondContact O-N 3.16Å
7	L	27.1	Very low	29.1	Very low	143 Å²	143	141.1 Å²	141.1	75%	0.749	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.9	-23.9	171.5	-116.1	83	0	0	0	112.6	S9	L7-S9 VanDerWaalsContact C-N 3.33Å; L7-S9 PolarHBondContact O-N 3.31Å
8	A	27.8	Very low	29.1	Very low	61 Å²	61	139.4 Å²	139.4	50%	0.504	73%	0.732	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.6	-18.7	-175.4	0	0	0	0	0	114.2
9	S	25	Very low	29.3	Very low	77 Å²	77	137.8 Å²	137.8	54%	0.538	73%	0.731	S	S	.	*	T	Hydrogen-bonded Turn	trans	-89.2	-11.7	-179.8	74.8	0	0	0	0	114.8	L7	L7-S9 VanDerWaalsContact C-N 3.33Å; L7-S9 PolarHBondContact O-N 3.31Å
10	R	26.9	Very low	29.3	Very low	206 Å²	206	141.3 Å²	141.3	78%	0.777	74%	0.739	S	S	*	*	S	Bend	trans	-87.5	-18.9	-176.9	-76	-174.9	174.8	-175.1	-1.9	114.6
11	V	31.4	Very low	29.5	Very low	120 Å²	120	141.6 Å²	141.6	73%	0.727	74%	0.741	S	S	*	*	S	Bend	trans	-96.2	-19.6	-175.4	-177.8	0	0	0	0	112.7
12	L	29.4	Very low	29.1	Very low	146 Å²	146	137.9 Å²	137.9	76%	0.764	73%	0.726	S	S	*	*	S	Bend	trans	-97.1	-5.5	-174.5	-84.8	153.1	0	0	0	115.3
13	N	27.8	Very low	29.2	Very low	128 Å²	128	136.7 Å²	136.7	68%	0.684	73%	0.728	S	S	*	*			trans	-115.5	13.8	-174	-89.9	-0.5	0	0	0	115.9	V15	N13-V15 VanDerWaalsContact C-N 3.27Å; N13-V15 PolarHBondContact O-N 3.24Å
14	R	34.4	Very low	29.6	Very low	189 Å²	189	133.3 Å²	133.3	71%	0.713	72%	0.724	S	S	*	*	S	Bend	trans	-84.7	24.6	-176.8	-92.1	-167.1	179.6	-170.1	2	116.2	N405	R14-N405 PolarHBondContact NH1-OD1 2.68Å
15	V	37.6	Very low	30.2	Very low	97 Å²	97	136.6 Å²	136.6	59%	0.588	73%	0.732	S	S	*	*	S	Bend	trans	-136.5	63.6	166.2	-170.7	0	0	0	0	108.8	N13	N13-V15 VanDerWaalsContact C-N 3.27Å; N13-V15 PolarHBondContact O-N 3.24Å
16	H	32.9	Very low	30.6	Very low	167 Å²	167	136 Å²	136	77%	0.773	74%	0.739	S	S	*	*	S	Bend	trans	-144.5	119.8	166.4	-100.7	47.9	0	0	0	110.2
17	L	30	Very low	31.1	Very low	156 Å²	156	132.7 Å²	132.7	82%	0.817	74%	0.737	S	S	*	*	S	Bend	trans	65.6	143	170.2	-73	131.4	0	0	0	118.5
18	P	28.6	Very low	31.5	Very low	112 Å²	112	138 Å²	138	73%	0.727	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-64.2	134.7	179	27.1	-32.7	0	0	0	110.3
19	P	32.4	Very low	31.6	Very low	108 Å²	108	139 Å²	139	70%	0.701	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-68.1	140.9	174.1	27.5	-30.5	0	0	0	109.9	L21	P19-L21 PolarHBondContact O-N 2.78Å
20	K	30.7	Very low	32.2	Very low	207 Å²	207	140.8 Å²	140.8	90%	0.9	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-60.5	126	168.9	-77.3	-179.3	174.7	-179.6	0	108.4	D22	K20-D22 PolarHBondContact O-N 3.05Å
21	L	33.3	Very low	33	Very low	148 Å²	148	139 Å²	139	78%	0.775	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-53.4	125.4	176.6	-79.6	124.7	0	0	0	111.3	P19	P19-L21 PolarHBondContact O-N 2.78Å
22	D	27.2	Very low	33.9	Very low	150 Å²	150	137.8 Å²	137.8	80%	0.802	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-75.4	119.4	162.7	-91.1	-28.7	0	0	0	108.9	K20 S24	K20-D22 PolarHBondContact O-N 3.05Å; D22-S24 PolarHBondContact O-N 2.85Å
23	A	30.6	Very low	35.8	Very low	99 Å²	99	134.3 Å²	134.3	82%	0.818	78%	0.778	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.5	36.3	-169.8	0	0	0	0	0	114.8
24	S	32.5	Very low	38.3	Very low	102 Å²	102	131.9 Å²	131.9	71%	0.713	77%	0.765	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106	-0.6	-172.3	67.1	0	0	0	0	116.4	D22	D22-S24 PolarHBondContact O-N 2.85Å
25	L	39.2	Very low	41.1	Very low	174 Å²	174	127.8 Å²	127.8	91%	0.911	75%	0.749	S	S	*	*	S	Bend	trans	-102.7	0.2	175.2	-78.3	162.9	0	0	0	114.4	S27	L25-S27 VanDerWaalsContact C-N 3.34Å; L25-S27 PolarHBondContact O-N 2.89Å; L25-S27 VanDerWaalsContact O-N 3.15Å
26	A	33.8	Very low	43.6	Very low	96 Å²	96	126.6 Å²	126.6	79%	0.793	74%	0.74	S	S	*	*			trans	-88.5	59.9	179.2	0	0	0	0	0	112.3
27	S	34.5	Very low	46.3	Very low	100 Å²	100	120.3 Å²	120.3	70%	0.699	71%	0.712	S	S	*	*			trans	-160.2	92.8	157.5	59.3	0	0	0	0	113.1	L25	L25-S27 VanDerWaalsContact C-N 3.34Å; L25-S27 PolarHBondContact O-N 2.89Å; L25-S27 VanDerWaalsContact O-N 3.15Å
28	R	35.3	Very low	49.1	Very low	255 Å²	255	117.8 Å²	117.8	96%	0.962	71%	0.707	S	S	*	*	S	Bend	trans	-180	112.2	140.1	-96.5	159.6	-170.5	-145.4	2.5	108.2
29	G	31	Very low	52.1	Low	82 Å²	82	116.1 Å²	116.1	85%	0.845	69%	0.692	S	S	*	*			trans	-65.8	164.3	179.3	0	0	0	0	0	113
30	S	36.4	Very low	55	Low	114 Å²	114	111.4 Å²	111.4	80%	0.797	66%	0.66	S	S	*	*	S	Bend	cis	-148.7	143.3	26	51.7	0	0	0	0	112
31	D	43.5	Very low	58	Low	170 Å²	170	103.9 Å²	103.9	91%	0.909	63%	0.633	S	S	*	*	S	Bend	trans	55.3	68.7	163.4	-82	-5.9	0	0	0	120.3
32	S	51.8	Low	60.7	Low	94 Å²	94	98.3 Å²	98.3	66%	0.657	61%	0.611	S	S	*	*				-164.5	99.9	127.8	61.5	0	0	0	0	107.6	L34	S32-L34 PolarHBondContact O-N 2.88Å
33	G	69	Low	63.5	Low	73 Å²	73	92.1 Å²	92.1	75%	0.753	58%	0.579	S	S	*	*			trans	-60.3	112.3	177	0	0	0	0	0	109.5	R35	G33-R35 PolarHBondContact O-N 2.95Å
34	L	80	Confident	66.1	Low	77 Å²	77	91.2 Å²	91.2	40%	0.403	57%	0.567	S	S	.	*	P	Polyproline II helix	trans	-57	128.7	174.9	-70.5	168.7	0	0	0	109	S32 D399 I401	S32-L34 PolarHBondContact O-N 2.88Å; L34-D399 CarbonylContact C-O 3.51Å; L34-I401 HydrophobicContact CB-CD1 3.79Å; L34-I401 HydrophobicContact CB-CG1 3.86Å; L34-I401 HydrophobicContact CD1-CD1 4.04Å; L34-I401 HydrophobicContact CD1-CG1 3.95Å; L34-I401 HydrophobicContact CG-CG1 4.46Å
35	R	91.7	Very high	68.3	Low	102 Å²	102	90 Å²	90	39%	0.385	55%	0.551	S	S	.	*	B	Isolated β-bridge	trans	-81.6	152.3	-178.6	-68.4	-178.2	-81.5	177.6	-5.6	110.4	G33 D39 D399 Y400 I401	G33-R35 PolarHBondContact O-N 2.95Å; R35-D39 HydrophobicContact CB-CB 4.01Å; R35-D399 IonicContact CZ-OD2 2.72Å; R35-D399 PolarHBondContact N-O 3.39Å; R35-D399 IonicContact NH2-OD2 3.7Å; R35-D399 PolarHBondContact NH2-OD2 2.77Å; R35-Y400 HydrophobicContact CB-CD1 3.57Å; R35-Y400 HydrophobicContact CB-CE1 3.7Å; R35-Y400 HydrophobicContact CB-CG 4.49Å; R35-Y400 PolarHBondContact NH1-OH 3.08Å; R35-Y400 CarbonylContact O-C 3.47Å; R35-Y400 VanDerWaalsContact O-CA 3.31Å; R35-Y400 WeakPolarHBondContact O-CA 3.32Å; R35-I401 PolarHBondContact O-N 3.04Å
36	N	91.9	Very high	70.2	Confident	73 Å²	73	86.1 Å²	86.1	39%	0.39	54%	0.536	S	S	.	.	P	Polyproline II helix	trans	-85.9	168.1	180	-69.3	-67.7	0	0	0	111.5	S38 D39	N36-S38 PolarHBondContact O-N 2.89Å; N36-D39 PolarHBondContact N-OD2 3.37Å; N36-D39 WeakPolarHBondContact O-CB 3.41Å; N36-D39 PolarHBondContact O-N 2.74Å
37	L	89.4	Confident	72.3	Confident	35 Å²	35	82.8 Å²	82.8	18%	0.183	51%	0.511	C	S	.	.	G	3₁₀ helix	trans	-53.9	-33.4	175	-173.1	68.1	0	0	0	113.3	D39 I40 L84 V86 I402 P403 T406	L37-D39 PolarHBondContact O-N 3.34Å; L37-I40 HydrophobicContact CD1-CD1 3.87Å; L37-I40 PolarHBondContact O-N 3.49Å; L37-L84 HydrophobicContact CD2-CD2 3.48Å; L37-L84 VanDerWaalsContact CD2-CD2 3.48Å; L37-L84 HydrophobicContact CG-CD2 4.16Å; L37-V86 HydrophobicContact CD1-CG2 3.59Å; L37-I402 HydrophobicContact CD1-CD1 4.11Å; L37-P403 HydrophobicContact CB-CG 4.46Å; L37-P403 HydrophobicContact CD2-CG 4.18Å; L37-T406 HydrophobicContact CD1-CG2 4.27Å
38	S	88.3	Confident	74.4	Confident	102 Å²	102	78.9 Å²	78.9	71%	0.713	48%	0.481	S	S	*	.	G	3₁₀ helix	trans	-66.6	-20.9	177.2	52.3	0	0	0	0	114	N36 I40	N36-S38 PolarHBondContact O-N 2.89Å; S38-I40 VanDerWaalsContact C-N 3.33Å
39	D	91.6	Very high	76.4	Confident	78 Å²	78	69.8 Å²	69.8	42%	0.417	45%	0.452	S	S	.	.	G	3₁₀ helix	trans	-91.9	-2.3	-175.1	-50.4	-30.4	0	0	0	111.5	R35 N36 L37 Y400	R35-D39 HydrophobicContact CB-CB 4.01Å; N36-D39 PolarHBondContact N-OD2 3.37Å; N36-D39 WeakPolarHBondContact O-CB 3.41Å; N36-D39 PolarHBondContact O-N 2.74Å; L37-D39 PolarHBondContact O-N 3.34Å; D39-Y400 HydrophobicContact CB-CE1 4.18Å
40	I	92.8	Very high	78.6	Confident	8 Å²	8	68.2 Å²	68.2	4%	0.041	43%	0.431	C	S	.	.	S	Bend	trans	-73.9	124.4	175	-61.5	-177	0	0	0	108.4	L37 S38 I75 W76 S77 V86 Y400 I402	L37-I40 HydrophobicContact CD1-CD1 3.87Å; L37-I40 PolarHBondContact O-N 3.49Å; S38-I40 VanDerWaalsContact C-N 3.33Å; I40-I75 HydrophobicContact CD1-CD1 4.12Å; I40-I75 HydrophobicContact CD1-CG1 4.49Å; I40-I75 HydrophobicContact CG2-CG1 4.3Å; I40-W76 VanDerWaalsContact CG2-C 3.42Å; I40-W76 VanDerWaalsContact CG2-CA 3.49Å; I40-S77 PolarHBondContact O-OG 3.31Å; I40-V86 HydrophobicContact CD1-CG1 4.21Å; I40-V86 HydrophobicContact CD1-CG2 4.23Å; I40-Y400 HydrophobicContact CB-CE1 4.34Å; I40-Y400 HydrophobicContact CD1-CD1 4.22Å; I40-Y400 HydrophobicContact CD1-CG 4.17Å; I40-Y400 HydrophobicContact CG1-CD1 3.4Å; I40-Y400 HydrophobicContact CG1-CD2 4.3Å; I40-Y400 HydrophobicContact CG1-CE1 3.57Å; I40-Y400 HydrophobicContact CG1-CE2 4.44Å; I40-Y400 HydrophobicContact CG1-CG 3.78Å; I40-I402 HydrophobicContact CD1-CD1 3.58Å
41	P	93.6	Very high	80.5	Confident	49 Å²	49	64.1 Å²	64.1	32%	0.318	40%	0.399	S	S	.	.			trans	-62.3	155.5	179.3	28.6	-35.9	0	0	0	111.1	Y72 W76 S77	P41-Y72 HydrophobicContact CB-CD1 4.28Å; P41-W76 CarbonylContact O-C 3.42Å; P41-W76 WeakPolarHBondContact O-CA 3.39Å; P41-W76 VanDerWaalsContact O-CB 3.24Å; P41-W76 WeakPolarHBondContact O-CB 3.38Å; P41-S77 PolarHBondContact O-N 3.13Å
42	G	90.3	Very high	82.1	Confident	31 Å²	31	56.5 Å²	56.5	32%	0.32	36%	0.358	S	S	.	.			trans	-178	162.8	-179.7	0	0	0	0	0	113.3	S77	G42-S77 WeakPolarHBondContact CA-O 3.23Å
43	P	87.4	Confident	83.2	Confident	21 Å²	21	58 Å²	58	14%	0.136	35%	0.353	C	S	.	.			trans	-64	149.8	170.3	25.8	-29.8	0	0	0	110.8	F48 Y72 S77	P43-F48 HydrophobicContact CB-CB 4.19Å; P43-F48 HydrophobicContact CG-CB 3.95Å; P43-F48 HydrophobicContact CG-CD2 3.76Å; P43-F48 HydrophobicContact CG-CG 4.29Å; P43-Y72 VanDerWaalsContact CA-OH 3.31Å; P43-Y72 WeakPolarHBondContact CA-OH 3.47Å; P43-Y72 WeakPolarHBondContact CB-OH 3.33Å; P43-Y72 HydrophobicContact CG-CE2 4.34Å; P43-S77 WeakPolarHBondContact CD-O 3.28Å
44	S	83.9	Confident	83.2	Confident	79 Å²	79	59.5 Å²	59.5	55%	0.552	35%	0.351	S	S	*	.			trans	-63.6	154.3	164.9	64.6	0	0	0	0	110.4	G47 F48	S44-G47 WeakPolarHBondContact O-CA 3.15Å; S44-G47 PolarHBondContact O-N 2.98Å; S44-G47 PolarHBondContact OG-N 2.84Å; S44-F48 PolarHBondContact O-N 3.26Å
45	M	79	Confident	82.5	Confident	77 Å²	77	61.5 Å²	61.5	38%	0.379	36%	0.357	S	S	.	.	H	α-helix	trans	-48.7	-48.7	178	-72.7	-62.4	-62.3	0	0	113.6	G47 F48 L49 S79	M45-G47 VanDerWaalsContact C-N 3.34Å; M45-G47 PolarHBondContact O-N 2.99Å; M45-F48 PolarHBondContact O-N 2.98Å; M45-L49 WeakPolarHBondContact O-CG 3.16Å; M45-L49 PolarHBondContact O-N 3.12Å; M45-L49 VanDerWaalsContact O-N 3.07Å; M45-S79 VanDerWaalsContact CE-O 3.28Å; M45-S79 WeakPolarHBondContact CE-O 3.24Å; M45-S79 WeakPolarHBondContact SD-CB 3.36Å
46	P	78.5	Confident	81.1	Confident	93 Å²	93	58.9 Å²	58.9	60%	0.604	36%	0.361	S	S	*	.	H	α-helix	trans	-68	-34.4	178.3	-18.6	34	0	0	0	112.5	L49 A50	P46-L49 PolarHBondContact O-N 3.38Å; P46-A50 WeakPolarHBondContact O-CB 3.22Å; P46-A50 PolarHBondContact O-N 3.05Å
47	G	78.8	Confident	80.3	Confident	26 Å²	26	56.2 Å²	56.2	27%	0.268	35%	0.351	S	S	.	.	H	α-helix	trans	-64	-43.9	176.2	0	0	0	0	0	112.1	S44 M45 A50 E51	S44-G47 WeakPolarHBondContact O-CA 3.15Å; S44-G47 PolarHBondContact O-N 2.98Å; S44-G47 PolarHBondContact OG-N 2.84Å; M45-G47 VanDerWaalsContact C-N 3.34Å; M45-G47 PolarHBondContact O-N 2.99Å; G47-A50 PolarHBondContact O-N 3.29Å; G47-E51 WeakPolarHBondContact O-CG 3.29Å; G47-E51 PolarHBondContact O-N 3.21Å
48	F	79.1	Confident	79.8	Confident	17 Å²	17	56.2 Å²	56.2	8%	0.075	35%	0.35	C	S	.	.	H	α-helix	trans	-64.4	-41.8	175.8	-171.1	-103.9	0	0	0	111.8	P43 S44 M45 E51 L52 S79 F80	P43-F48 HydrophobicContact CB-CB 4.19Å; P43-F48 HydrophobicContact CG-CB 3.95Å; P43-F48 HydrophobicContact CG-CD2 3.76Å; P43-F48 HydrophobicContact CG-CG 4.29Å; S44-F48 PolarHBondContact O-N 3.26Å; M45-F48 PolarHBondContact O-N 2.98Å; F48-E51 PolarHBondContact O-N 3.38Å; F48-L52 HydrophobicContact CE1-CD2 4.44Å; F48-L52 VanDerWaalsContact O-CB 3.3Å; F48-L52 WeakPolarHBondContact O-CB 3.45Å; F48-L52 PolarHBondContact O-N 3.43Å; F48-S79 WeakPolarHBondContact CD1-O 3.45Å; F48-F80 HydrophobicContact CD1-CB 4.2Å; F48-F80 HydrophobicContact CE1-CB 3.85Å; F48-F80 HydrophobicContact CE1-CD2 4.4Å; F48-F80 HydrophobicContact CE1-CG 4.45Å
49	L	77.1	Confident	79.7	Confident	64 Å²	64	53 Å²	53	34%	0.335	33%	0.328	S	S	.	.	H	α-helix	trans	-64	-42.5	175.7	-71.3	171.3	0	0	0	112.2	M45 P46 E51 L52 F53 F80	M45-L49 WeakPolarHBondContact O-CG 3.16Å; M45-L49 PolarHBondContact O-N 3.12Å; M45-L49 VanDerWaalsContact O-N 3.07Å; P46-L49 PolarHBondContact O-N 3.38Å; L49-E51 VanDerWaalsContact C-N 3.33Å; L49-E51 PolarHBondContact O-N 3.35Å; L49-L52 PolarHBondContact O-N 3.42Å; L49-F53 HydrophobicContact CD2-CD2 4.33Å; L49-F53 HydrophobicContact CD2-CE2 3.91Å; L49-F53 WeakPolarHBondContact O-CD2 3.26Å; L49-F53 PolarHBondContact O-N 3.22Å; L49-F80 HydrophobicContact CD2-CD2 3.51Å; L49-F80 HydrophobicContact CD2-CE2 3.43Å; L49-F80 VanDerWaalsContact CD2-CE2 3.43Å
50	A	77.3	Confident	79.6	Confident	50 Å²	50	50.4 Å²	50.4	41%	0.413	31%	0.312	S	S	.	.	H	α-helix	trans	-62.7	-40.2	175.6	0	0	0	0	0	111.6	P46 G47 C54	P46-A50 WeakPolarHBondContact O-CB 3.22Å; P46-A50 PolarHBondContact O-N 3.05Å; G47-A50 PolarHBondContact O-N 3.29Å; A50-C54 WeakPolarHBondContact O-CA 3.43Å; A50-C54 WeakPolarHBondContact O-CB 3.37Å; A50-C54 PolarHBondContact O-N 3.43Å
51	E	76.8	Confident	79.4	Confident	27 Å²	27	52.4 Å²	52.4	13%	0.126	32%	0.323	C	S	.	.	H	α-helix	trans	-65.2	-43.8	174	-73	176.8	176.9	0	0	111.6	G47 F48 L49 F53 K55 L64 R71	G47-E51 WeakPolarHBondContact O-CG 3.29Å; G47-E51 PolarHBondContact O-N 3.21Å; F48-E51 PolarHBondContact O-N 3.38Å; L49-E51 VanDerWaalsContact C-N 3.33Å; L49-E51 PolarHBondContact O-N 3.35Å; E51-F53 PolarHBondContact O-N 2.97Å; E51-K55 HydrophobicContact CG-CD 4.29Å; E51-L64 HydrophobicContact CB-CD2 4.19Å; E51-R71 IonicContact OE1-NH1 2.69Å; E51-R71 PolarHBondContact OE1-NH1 3.44Å
52	L	75.4	Confident	79.3	Confident	10 Å²	10	50.1 Å²	50.1	5%	0.052	31%	0.308	C	S	.	.	H	α-helix	trans	-67.1	-33.2	-178.6	-172.5	64.7	0	0	0	113.5	F48 L49 G57 M58 L61 F80	F48-L52 HydrophobicContact CE1-CD2 4.44Å; F48-L52 VanDerWaalsContact O-CB 3.3Å; F48-L52 WeakPolarHBondContact O-CB 3.45Å; F48-L52 PolarHBondContact O-N 3.43Å; L49-L52 PolarHBondContact O-N 3.42Å; L52-G57 CarbonylContact O-C 3.57Å; L52-G57 WeakPolarHBondContact O-CA 3.45Å; L52-M58 HydrophobicContact CD1-CG 4.09Å; L52-M58 HydrophobicContact CG-CG 4.42Å; L52-M58 PolarHBondContact O-N 3.04Å; L52-L61 HydrophobicContact CD1-CD2 3.52Å; L52-L61 HydrophobicContact CD1-CG 4.48Å; L52-F80 HydrophobicContact CD2-CD2 3.61Å; L52-F80 HydrophobicContact CD2-CE2 3.5Å; L52-F80 VanDerWaalsContact CD2-CE2 3.5Å; L52-F80 HydrophobicContact CD2-CG 4.41Å; L52-F80 HydrophobicContact CD2-CZ 4.22Å
53	F	76.1	Confident	79.5	Confident	125 Å²	125	51.3 Å²	51.3	55%	0.548	31%	0.305	S	S	.	.	H	α-helix	trans	-108.9	-28.5	-174.9	-70	-72.6	0	0	0	114.9	L49 E51 F80	L49-F53 HydrophobicContact CD2-CD2 4.33Å; L49-F53 HydrophobicContact CD2-CE2 3.91Å; L49-F53 WeakPolarHBondContact O-CD2 3.26Å; L49-F53 PolarHBondContact O-N 3.22Å; E51-F53 PolarHBondContact O-N 2.97Å; F53-F80 HydrophobicContact CE2-CE2 4.03Å; F53-F80 HydrophobicContact CZ-CE2 4.35Å
54	C	68.2	Low	79.6	Confident	105 Å²	105	51.3 Å²	51.3	71%	0.709	30%	0.304	S	S	*	.	H	α-helix	trans	-101.1	-21.8	-174.1	-54.5	0	0	0	0	114.4	A50	A50-C54 WeakPolarHBondContact O-CA 3.43Å; A50-C54 WeakPolarHBondContact O-CB 3.37Å; A50-C54 PolarHBondContact O-N 3.43Å
55	K	65.6	Low	80.1	Confident	120 Å²	120	48.2 Å²	48.2	52%	0.522	28%	0.281	S	S	.	.	S	Bend	trans	-103	56.6	-178.1	-67.3	-175	-179	172.8	0	112.8	E51	E51-K55 HydrophobicContact CG-CD 4.29Å
56	G	62.2	Low	80.8	Confident	46 Å²	46	47.3 Å²	47.3	47%	0.474	28%	0.279	S	S	.	.	S	Bend	trans	85.7	3.5	179.9	0	0	0	0	0	115	S59	G56-S59 PolarHBondContact O-OG 2.84Å
57	G	76.2	Confident	81.5	Confident	17 Å²	17	46.7 Å²	46.7	18%	0.175	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	75.7	-167.6	170.1	0	0	0	0	0	114.1	L52 S59 R60	L52-G57 CarbonylContact O-C 3.57Å; L52-G57 WeakPolarHBondContact O-CA 3.45Å; G57-S59 PolarHBondContact O-N 3.1Å; G57-R60 PolarHBondContact O-N 3.22Å; G57-R60 VanDerWaalsContact O-N 3.1Å
58	M	78.6	Confident	82.2	Confident	35 Å²	35	45.7 Å²	45.7	17%	0.172	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-61	-11.8	172.8	-51.7	-173.3	-63.2	0	0	113.5	L52 R60 L61 L233 L234 A237	L52-M58 HydrophobicContact CD1-CG 4.09Å; L52-M58 HydrophobicContact CG-CG 4.42Å; L52-M58 PolarHBondContact O-N 3.04Å; M58-R60 PolarHBondContact O-N 3.49Å; M58-L61 HydrophobicContact CB-CD1 4.29Å; M58-L61 HydrophobicContact CB-CG 4.5Å; M58-L61 WeakPolarHBondContact O-CD1 3.3Å; M58-L61 VanDerWaalsContact O-CG 3.29Å; M58-L61 WeakPolarHBondContact O-CG 3.46Å; M58-L233 HydrophobicContact CB-CD2 3.67Å; M58-L233 HydrophobicContact CB-CG 4.22Å; M58-L233 HydrophobicContact CE-CD2 4.1Å; M58-L233 HydrophobicContact CE-CG 3.9Å; M58-L233 HydrophobicContact SD-CD1 4.41Å; M58-L233 HydrophobicContact SD-CD2 4.24Å; M58-L233 HydrophobicContact SD-CG 3.78Å; M58-L234 HydrophobicContact CE-CD2 3.34Å; M58-L234 HydrophobicContact CE-CG 3.84Å; M58-A237 HydrophobicContact SD-CB 4.37Å
59	S	85.1	Confident	82.9	Confident	36 Å²	36	46.3 Å²	46.3	25%	0.252	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-70.9	-16.2	175.6	82.1	0	0	0	0	113.9	G56 G57 T491	G56-S59 PolarHBondContact O-OG 2.84Å; G57-S59 PolarHBondContact O-N 3.1Å; S59-T491 VanDerWaalsContact CA-O 3.31Å; S59-T491 WeakPolarHBondContact CA-O 3.46Å; S59-T491 PolarHBondContact O-N 3.2Å
60	R	89.8	Confident	83.7	Confident	23 Å²	23	47.5 Å²	47.5	9%	0.087	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-114.2	19	-177.4	-59.2	-63.8	176.4	-179.5	-8.9	113.5	G57 M58 H62 E63 L64 P489 E498	G57-R60 PolarHBondContact O-N 3.22Å; G57-R60 VanDerWaalsContact O-N 3.1Å; M58-R60 PolarHBondContact O-N 3.49Å; R60-H62 PolarHBondContact O-N 2.95Å; R60-H62 VanDerWaalsContact O-N 3.12Å; R60-E63 VanDerWaalsContact CD-OE1 3.3Å; R60-E63 WeakPolarHBondContact CD-OE1 3.46Å; R60-E63 IonicContact CZ-OE1 3.11Å; R60-E63 IonicContact NE-OE1 3.27Å; R60-E63 IonicContact NH1-OE1 3.01Å; R60-E63 PolarHBondContact NH1-OE1 3.23Å; R60-E63 WeakPolarHBondContact O-CB 3.48Å; R60-E63 PolarHBondContact O-N 3.49Å; R60-L64 PolarHBondContact O-N 3.3Å; R60-P489 PolarHBondContact NH1-O 3Å; R60-E498 IonicContact CZ-OE1 3.61Å; R60-E498 IonicContact CZ-OE2 3.73Å; R60-E498 IonicContact NH2-OE1 3.84Å; R60-E498 PolarHBondContact NH2-OE1 2.83Å; R60-E498 IonicContact NH2-OE2 3.15Å; R60-E498 PolarHBondContact NH2-OE2 3.38Å
61	L	88.3	Confident	84.5	Confident	50 Å²	50	52.9 Å²	52.9	26%	0.262	30%	0.295	S	S	.	.	H	α-helix	trans	-53.7	-34.6	179.4	-77.7	173.5	0	0	0	113.7	L52 M58 L64 Q65 L233 T491	L52-L61 HydrophobicContact CD1-CD2 3.52Å; L52-L61 HydrophobicContact CD1-CG 4.48Å; M58-L61 HydrophobicContact CB-CD1 4.29Å; M58-L61 HydrophobicContact CB-CG 4.5Å; M58-L61 WeakPolarHBondContact O-CD1 3.3Å; M58-L61 VanDerWaalsContact O-CG 3.29Å; M58-L61 WeakPolarHBondContact O-CG 3.46Å; L61-L64 HydrophobicContact CD2-CD1 4.16Å; L61-L64 PolarHBondContact O-N 3.22Å; L61-Q65 PolarHBondContact O-N 3.41Å; L61-L233 HydrophobicContact CD1-CD1 4Å; L61-L233 HydrophobicContact CD1-CD2 4.48Å; L61-T491 HydrophobicContact CB-CG2 4.27Å; L61-T491 HydrophobicContact CD1-CG2 4.44Å
62	H	92.7	Very high	85.3	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-66.4	-35.4	176.6	62.9	-82.6	0	0	0	112.8	R60 Q65 P385 Y413 P489 T491 L495	R60-H62 PolarHBondContact O-N 2.95Å; R60-H62 VanDerWaalsContact O-N 3.12Å; H62-Q65 WeakPolarHBondContact O-CB 3.45Å; H62-Q65 PolarHBondContact O-N 3.38Å; H62-P385 HydrophobicContact CB-CB 3.86Å; H62-P385 HydrophobicContact CB-CG 4.37Å; H62-Y413 HydrophobicContact CB-CD1 4.09Å; H62-Y413 HydrophobicContact CB-CD2 4.02Å; H62-Y413 HydrophobicContact CB-CE1 4.46Å; H62-Y413 HydrophobicContact CB-CE2 4.38Å; H62-Y413 HydrophobicContact CB-CG 3.86Å; H62-Y413 AromaticContact CD2-CE1 3.72Å; H62-Y413 AromaticContact CD2-CE2 3.67Å; H62-Y413 AromaticContact CD2-CZ 3.42Å; H62-Y413 VanDerWaalsContact CD2-CZ 3.42Å; H62-Y413 VanDerWaalsContact O-CD1 3.23Å; H62-Y413 WeakPolarHBondContact O-CD1 3.35Å; H62-P489 PolarHBondContact CE1-O 3.15Å; H62-T491 PolarHBondContact ND1-OG1 3.43Å; H62-L495 HydrophobicContact CB-CD1 3.98Å
63	E	92.9	Very high	86.2	Confident	57 Å²	57	54.3 Å²	54.3	27%	0.266	31%	0.306	S	S	.	.	H	α-helix	trans	-71.4	-34.2	176.5	-60.2	-179.9	-166.6	0	0	111.5	R60 Q65 V66 Q67	R60-E63 VanDerWaalsContact CD-OE1 3.3Å; R60-E63 WeakPolarHBondContact CD-OE1 3.46Å; R60-E63 IonicContact CZ-OE1 3.11Å; R60-E63 IonicContact NE-OE1 3.27Å; R60-E63 IonicContact NH1-OE1 3.01Å; R60-E63 PolarHBondContact NH1-OE1 3.23Å; R60-E63 WeakPolarHBondContact O-CB 3.48Å; R60-E63 PolarHBondContact O-N 3.49Å; E63-Q65 PolarHBondContact O-N 2.91Å; E63-V66 PolarHBondContact O-N 3.01Å; E63-Q67 WeakPolarHBondContact O-CG 3.5Å; E63-Q67 PolarHBondContact O-N 3.47Å
64	L	90.4	Very high	87.1	Confident	20 Å²	20	51.8 Å²	51.8	11%	0.105	30%	0.303	C	S	.	.	H	α-helix	trans	-60.8	-26.8	174.5	-64.8	-177.7	0	0	0	112.6	E51 R60 L61 G68	E51-L64 HydrophobicContact CB-CD2 4.19Å; R60-L64 PolarHBondContact O-N 3.3Å; L61-L64 HydrophobicContact CD2-CD1 4.16Å; L61-L64 PolarHBondContact O-N 3.22Å; L64-G68 WeakPolarHBondContact O-CA 3.31Å; L64-G68 PolarHBondContact O-N 2.9Å
65	Q	94.3	Very high	88.5	Confident	15 Å²	15	47.4 Å²	47.4	7%	0.07	27%	0.272	C	S	.	.	H	α-helix	trans	-64.8	-43.5	172.7	-59.6	-179.2	11.9	0	0	111.7	L61 H62 E63 A69 W76 P385 C411 A414	L61-Q65 PolarHBondContact O-N 3.41Å; H62-Q65 WeakPolarHBondContact O-CB 3.45Å; H62-Q65 PolarHBondContact O-N 3.38Å; E63-Q65 PolarHBondContact O-N 2.91Å; Q65-A69 WeakPolarHBondContact O-CB 3.3Å; Q65-A69 PolarHBondContact O-N 2.95Å; Q65-W76 WeakPolarHBondContact O-CH2 3.46Å; Q65-P385 PolarHBondContact NE2-O 3.28Å; Q65-P385 PolarHBondContact OE1-O 3.28Å; Q65-P385 VanDerWaalsContact OE1-O 3.11Å; Q65-C411 HydrophobicContact CB-CB 4.01Å; Q65-C411 HydrophobicContact CG-CB 4.07Å; Q65-C411 PolarHBondContact OE1-O 3.02Å; Q65-A414 HydrophobicContact CB-CB 3.83Å
66	V	94.3	Very high	89.9	Confident	58 Å²	58	42.1 Å²	42.1	35%	0.352	25%	0.249	S	C	.	.	H	α-helix	trans	-68	-44.4	179.5	-177.7	0	0	0	0	110.2	E63 A69 A70 Y413 A414	E63-V66 PolarHBondContact O-N 3.01Å; V66-A69 PolarHBondContact O-N 3.32Å; V66-A70 WeakPolarHBondContact O-CB 3.46Å; V66-A70 PolarHBondContact O-N 3.08Å; V66-Y413 HydrophobicContact CG2-CD1 3.75Å; V66-Y413 HydrophobicContact CG2-CE1 3.86Å; V66-A414 HydrophobicContact CG2-CB 4.35Å
67	Q	92.6	Very high	91.4	Very high	79 Å²	79	41 Å²	41	37%	0.369	23%	0.234	S	C	.	.	H	α-helix	trans	-64.2	-41.9	177.2	-64.4	173.6	28.1	0	0	111.6	E63 A70 R71	E63-Q67 WeakPolarHBondContact O-CG 3.5Å; E63-Q67 PolarHBondContact O-N 3.47Å; Q67-A70 PolarHBondContact O-N 2.81Å; Q67-R71 VanDerWaalsContact O-CB 3.29Å; Q67-R71 WeakPolarHBondContact O-CB 3.42Å; Q67-R71 PolarHBondContact O-N 3.21Å
68	G	92.6	Very high	92	Very high	6 Å²	6	40.3 Å²	40.3	6%	0.062	23%	0.226	C	C	.	.	H	α-helix	trans	-62.1	-47.9	176.4	0	0	0	0	0	111.9	L64 A70 R71 Y72	L64-G68 WeakPolarHBondContact O-CA 3.31Å; L64-G68 PolarHBondContact O-N 2.9Å; G68-A70 VanDerWaalsContact C-N 3.32Å; G68-A70 PolarHBondContact O-N 3.28Å; G68-R71 PolarHBondContact O-N 2.99Å; G68-Y72 WeakPolarHBondContact O-CD2 3.38Å; G68-Y72 PolarHBondContact O-N 2.8Å
69	A	94.7	Very high	92.2	Very high	29 Å²	29	40.4 Å²	40.4	24%	0.24	23%	0.23	C	C	.	.	H	α-helix	trans	-59.8	-42	176.7	0	0	0	0	0	112.2	Q65 V66 G73 W76 A89 A414	Q65-A69 WeakPolarHBondContact O-CB 3.3Å; Q65-A69 PolarHBondContact O-N 2.95Å; V66-A69 PolarHBondContact O-N 3.32Å; A69-G73 WeakPolarHBondContact CA-O 3.41Å; A69-G73 CarbonylContact O-C 3.56Å; A69-G73 VanDerWaalsContact O-CA 3.24Å; A69-G73 WeakPolarHBondContact O-CA 3.3Å; A69-G73 PolarHBondContact O-N 2.85Å; A69-W76 HydrophobicContact CB-CH2 4.38Å; A69-W76 HydrophobicContact CB-CZ3 4.09Å; A69-A89 HydrophobicContact CB-CB 3.8Å; A69-A414 HydrophobicContact CB-CB 4.46Å
70	A	93.5	Very high	91.5	Very high	90 Å²	90	40.7 Å²	40.7	74%	0.744	23%	0.227	S	C	*	.	H	α-helix	trans	-68.2	-33.6	178.1	0	0	0	0	0	113.2	V66 Q67 G68	V66-A70 WeakPolarHBondContact O-CB 3.46Å; V66-A70 PolarHBondContact O-N 3.08Å; Q67-A70 PolarHBondContact O-N 2.81Å; G68-A70 VanDerWaalsContact C-N 3.32Å; G68-A70 PolarHBondContact O-N 3.28Å
71	R	93.9	Very high	90.5	Very high	163 Å²	163	42.3 Å²	42.3	62%	0.615	25%	0.251	S	S	*	.	H	α-helix	trans	-88.9	-39.5	-174.5	-174.5	172.8	179.8	-175	0.1	113.9	E51 Q67 G68	E51-R71 IonicContact OE1-NH1 2.69Å; E51-R71 PolarHBondContact OE1-NH1 3.44Å; Q67-R71 VanDerWaalsContact O-CB 3.29Å; Q67-R71 WeakPolarHBondContact O-CB 3.42Å; Q67-R71 PolarHBondContact O-N 3.21Å; G68-R71 PolarHBondContact O-N 2.99Å
72	Y	94.4	Very high	89.4	Confident	43 Å²	43	45.1 Å²	45.1	17%	0.169	27%	0.271	C	S	.	.	H	α-helix	trans	-113.6	-8.8	-171.3	-55.1	-66.1	0	0	0	113	P41 P43 G68 W76	P41-Y72 HydrophobicContact CB-CD1 4.28Å; P43-Y72 VanDerWaalsContact CA-OH 3.31Å; P43-Y72 WeakPolarHBondContact CA-OH 3.47Å; P43-Y72 WeakPolarHBondContact CB-OH 3.33Å; P43-Y72 HydrophobicContact CG-CE2 4.34Å; G68-Y72 WeakPolarHBondContact O-CD2 3.38Å; G68-Y72 PolarHBondContact O-N 2.8Å; Y72-W76 VanDerWaalsContact CB-CB 3.49Å; Y72-W76 HydrophobicContact CD2-CB 4.12Å; Y72-W76 HydrophobicContact CD2-CG 4.02Å; Y72-W76 HydrophobicContact CG-CB 4Å; Y72-W76 HydrophobicContact CG-CG 4.39Å
73	G	94.4	Very high	88.6	Confident	23 Å²	23	49 Å²	49	24%	0.237	29%	0.291	C	S	.	.			trans	90.5	-160.5	-178.9	0	0	0	0	0	113.3	A69 I75	A69-G73 WeakPolarHBondContact CA-O 3.41Å; A69-G73 CarbonylContact O-C 3.56Å; A69-G73 VanDerWaalsContact O-CA 3.24Å; A69-G73 WeakPolarHBondContact O-CA 3.3Å; A69-G73 PolarHBondContact O-N 2.85Å; G73-I75 PolarHBondContact O-N 2.74Å
74	P	94.9	Very high	88.4	Confident	73 Å²	73	49.2 Å²	49.2	47%	0.474	29%	0.293	S	S	.	.	S	Bend	trans	-71.3	-15.6	-167.8	28.7	-36.3	0	0	0	114.7	A89 L93	P74-A89 PolarHBondContact O-N 3.12Å; P74-L93 HydrophobicContact CB-CD1 4.17Å
75	I	96.4	Very high	88.5	Confident	12 Å²	12	49 Å²	49	6%	0.062	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	132.4	178.9	-172.3	171.5	0	0	0	109.3	I40 G73 V86 Y87 L93 L397 Y400	I40-I75 HydrophobicContact CD1-CD1 4.12Å; I40-I75 HydrophobicContact CD1-CG1 4.49Å; I40-I75 HydrophobicContact CG2-CG1 4.3Å; G73-I75 PolarHBondContact O-N 2.74Å; I75-V86 HydrophobicContact CD1-CG1 3.91Å; I75-V86 HydrophobicContact CG1-CG1 3.84Å; I75-Y87 WeakPolarHBondContact CA-O 3.4Å; I75-L93 HydrophobicContact CB-CD1 4.15Å; I75-L397 HydrophobicContact CD1-CD2 4.07Å; I75-L397 HydrophobicContact CD1-CG 4.44Å; I75-Y400 HydrophobicContact CD1-CD2 4.09Å; I75-Y400 HydrophobicContact CG2-CD2 4.07Å; I75-Y400 HydrophobicContact CG2-CE2 3.64Å
76	W	95.8	Very high	88.5	Confident	10 Å²	10	48.2 Å²	48.2	4%	0.038	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	162.5	174.1	71.7	96.8	0	0	0	110.8	I40 P41 Q65 A69 Y72 V86 Y87 A89 C411	I40-W76 VanDerWaalsContact CG2-C 3.42Å; I40-W76 VanDerWaalsContact CG2-CA 3.49Å; P41-W76 CarbonylContact O-C 3.42Å; P41-W76 WeakPolarHBondContact O-CA 3.39Å; P41-W76 VanDerWaalsContact O-CB 3.24Å; P41-W76 WeakPolarHBondContact O-CB 3.38Å; Q65-W76 WeakPolarHBondContact O-CH2 3.46Å; A69-W76 HydrophobicContact CB-CH2 4.38Å; A69-W76 HydrophobicContact CB-CZ3 4.09Å; Y72-W76 VanDerWaalsContact CB-CB 3.49Å; Y72-W76 HydrophobicContact CD2-CB 4.12Å; Y72-W76 HydrophobicContact CD2-CG 4.02Å; Y72-W76 HydrophobicContact CG-CB 4Å; Y72-W76 HydrophobicContact CG-CG 4.39Å; W76-V86 CarbonylContact O-C 3.55Å; W76-Y87 AromaticContact CD1-CD2 3.73Å; W76-Y87 HydrophobicContact CD2-CG 4.33Å; W76-Y87 AromaticContact CE2-CD2 3.91Å; W76-Y87 AromaticContact CE2-CG 3.59Å; W76-Y87 HydrophobicContact CG-CD2 4.47Å; W76-Y87 HydrophobicContact CZ2-CD1 4.12Å; W76-Y87 HydrophobicContact CZ2-CD2 4.46Å; W76-Y87 AromaticContact CZ2-CG 3.74Å; W76-Y87 HydrophobicContact CZ2-CG 3.74Å; W76-Y87 PolarHBondContact N-O 3.5Å; W76-Y87 AromaticContact NE1-CD2 3.32Å; W76-Y87 VanDerWaalsContact NE1-CD2 3.32Å; W76-Y87 AromaticContact NE1-CG 3.51Å; W76-Y87 PolarHBondContact O-N 3.23Å; W76-A89 HydrophobicContact CH2-CB 4.06Å; W76-A89 HydrophobicContact CZ3-CB 3.67Å; W76-C411 HydrophobicContact CH2-CB 4.34Å; W76-C411 VanDerWaalsContact CH2-SG 3.54Å
77	S	94.3	Very high	88.6	Confident	23 Å²	23	47.3 Å²	47.3	16%	0.161	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	144.9	176.4	70.8	0	0	0	0	110.2	I40 P41 G42 P43 T85	I40-S77 PolarHBondContact O-OG 3.31Å; P41-S77 PolarHBondContact O-N 3.13Å; G42-S77 WeakPolarHBondContact CA-O 3.23Å; P43-S77 WeakPolarHBondContact CD-O 3.28Å; S77-T85 WeakPolarHBondContact CA-O 3.23Å
78	G	89.2	Confident	88.9	Confident	2 Å²	2	43.6 Å²	43.6	2%	0.021	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	139.8	173.6	0	0	0	0	0	109.2	T85	G78-T85 PolarHBondContact N-O 3.19Å; G78-T85 PolarHBondContact O-N 2.84Å
79	S	81.5	Confident	89.1	Confident	36 Å²	36	43.7 Å²	43.7	25%	0.252	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	138.9	-178.4	-76.9	0	0	0	0	109.9	M45 F48 L83 L84	M45-S79 VanDerWaalsContact CE-O 3.28Å; M45-S79 WeakPolarHBondContact CE-O 3.24Å; M45-S79 WeakPolarHBondContact SD-CB 3.36Å; F48-S79 WeakPolarHBondContact CD1-O 3.45Å; S79-L83 WeakPolarHBondContact CA-O 3.49Å; S79-L84 WeakPolarHBondContact OG-CD1 3.47Å
80	F	70.2	Confident	89.1	Confident	42 Å²	42	43.7 Å²	43.7	18%	0.184	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	114.1	177.8	177.8	-95.4	0	0	0	109.9	F48 L49 L52 F53 T82 L83 A237	F48-F80 HydrophobicContact CD1-CB 4.2Å; F48-F80 HydrophobicContact CE1-CB 3.85Å; F48-F80 HydrophobicContact CE1-CD2 4.4Å; F48-F80 HydrophobicContact CE1-CG 4.45Å; L49-F80 HydrophobicContact CD2-CD2 3.51Å; L49-F80 HydrophobicContact CD2-CE2 3.43Å; L49-F80 VanDerWaalsContact CD2-CE2 3.43Å; L52-F80 HydrophobicContact CD2-CD2 3.61Å; L52-F80 HydrophobicContact CD2-CE2 3.5Å; L52-F80 VanDerWaalsContact CD2-CE2 3.5Å; L52-F80 HydrophobicContact CD2-CG 4.41Å; L52-F80 HydrophobicContact CD2-CZ 4.22Å; F53-F80 HydrophobicContact CE2-CE2 4.03Å; F53-F80 HydrophobicContact CZ-CE2 4.35Å; F80-T82 PolarHBondContact O-N 3.21Å; F80-L83 PolarHBondContact N-O 3.13Å; F80-L83 WeakPolarHBondContact O-CB 3.19Å; F80-L83 PolarHBondContact O-N 3.27Å; F80-A237 HydrophobicContact CE1-CB 3.74Å; F80-A237 WeakPolarHBondContact CE1-O 3.41Å; F80-A237 HydrophobicContact CZ-CB 3.93Å; F80-A237 WeakPolarHBondContact CZ-O 3.37Å
81	G	68.5	Low	89.2	Confident	58 Å²	58	39.6 Å²	39.6	60%	0.598	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.7	-120.2	-169.8	0	0	0	0	0	110.9
82	T	66.9	Low	89.4	Confident	109 Å²	109	34.5 Å²	34.5	67%	0.669	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-2.1	176.9	56.7	0	0	0	0	113.7	F80	F80-T82 PolarHBondContact O-N 3.21Å
83	L	75.3	Confident	89.5	Confident	81 Å²	81	33.4 Å²	33.4	42%	0.424	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	112	-174.9	-65.6	171.2	0	0	0	110.1	S79 F80	S79-L83 WeakPolarHBondContact CA-O 3.49Å; F80-L83 PolarHBondContact N-O 3.13Å; F80-L83 WeakPolarHBondContact O-CB 3.19Å; F80-L83 PolarHBondContact O-N 3.27Å
84	L	87.6	Confident	89.6	Confident	61 Å²	61	32.3 Å²	32.3	32%	0.319	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	125.9	165.7	173.8	66.6	0	0	0	108.8	L37 S79	L37-L84 HydrophobicContact CD2-CD2 3.48Å; L37-L84 VanDerWaalsContact CD2-CD2 3.48Å; L37-L84 HydrophobicContact CG-CD2 4.16Å; S79-L84 WeakPolarHBondContact OG-CD1 3.47Å
85	T	92.3	Very high	89.7	Confident	15 Å²	15	30.8 Å²	30.8	9%	0.092	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	128.8	177.3	-55	0	0	0	0	110.2	S77 G78 Y87 L407	S77-T85 WeakPolarHBondContact CA-O 3.23Å; G78-T85 PolarHBondContact N-O 3.19Å; G78-T85 PolarHBondContact O-N 2.84Å; T85-Y87 HydrophobicContact CG2-CD1 4.26Å; T85-Y87 HydrophobicContact CG2-CD2 4.19Å; T85-Y87 HydrophobicContact CG2-CE1 3.89Å; T85-Y87 HydrophobicContact CG2-CE2 3.81Å; T85-Y87 HydrophobicContact CG2-CG 4.4Å; T85-L407 CarbonylContact C-O 3.59Å; T85-L407 WeakPolarHBondContact CA-O 3.28Å; T85-L407 HydrophobicContact CG2-CD2 4.35Å; T85-L407 HydrophobicContact CG2-CG 4.23Å
86	V	96.1	Very high	89.7	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	122.3	167.9	177.1	0	0	0	0	108.1	L37 I40 I75 W76 V88 I402 T406 L407 I408 S409	L37-V86 HydrophobicContact CD1-CG2 3.59Å; I40-V86 HydrophobicContact CD1-CG1 4.21Å; I40-V86 HydrophobicContact CD1-CG2 4.23Å; I75-V86 HydrophobicContact CD1-CG1 3.91Å; I75-V86 HydrophobicContact CG1-CG1 3.84Å; W76-V86 CarbonylContact O-C 3.55Å; V86-V88 HydrophobicContact CG1-CG2 4.42Å; V86-I402 HydrophobicContact CG1-CD1 4.41Å; V86-I402 HydrophobicContact CG2-CD1 4.46Å; V86-T406 HydrophobicContact CG2-CG2 3.72Å; V86-L407 PolarHBondContact N-O 3.16Å; V86-I408 HydrophobicContact CB-CG1 4.35Å; V86-I408 CarbonylContact O-C 3.58Å; V86-I408 VanDerWaalsContact O-CA 3.23Å; V86-I408 WeakPolarHBondContact O-CA 3.07Å; V86-S409 PolarHBondContact O-N 3.34Å
87	Y	96.5	Very high	89.7	Confident	39 Å²	39	33.1 Å²	33.1	15%	0.153	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	134.8	179.8	-63.8	-89.3	0	0	0	110	I75 W76 T85 S409	I75-Y87 WeakPolarHBondContact CA-O 3.4Å; W76-Y87 AromaticContact CD1-CD2 3.73Å; W76-Y87 HydrophobicContact CD2-CG 4.33Å; W76-Y87 AromaticContact CE2-CD2 3.91Å; W76-Y87 AromaticContact CE2-CG 3.59Å; W76-Y87 HydrophobicContact CG-CD2 4.47Å; W76-Y87 HydrophobicContact CZ2-CD1 4.12Å; W76-Y87 HydrophobicContact CZ2-CD2 4.46Å; W76-Y87 AromaticContact CZ2-CG 3.74Å; W76-Y87 HydrophobicContact CZ2-CG 3.74Å; W76-Y87 PolarHBondContact N-O 3.5Å; W76-Y87 AromaticContact NE1-CD2 3.32Å; W76-Y87 VanDerWaalsContact NE1-CD2 3.32Å; W76-Y87 AromaticContact NE1-CG 3.51Å; W76-Y87 PolarHBondContact O-N 3.23Å; T85-Y87 HydrophobicContact CG2-CD1 4.26Å; T85-Y87 HydrophobicContact CG2-CD2 4.19Å; T85-Y87 HydrophobicContact CG2-CE1 3.89Å; T85-Y87 HydrophobicContact CG2-CE2 3.81Å; T85-Y87 HydrophobicContact CG2-CG 4.4Å; Y87-S409 WeakPolarHBondContact CA-O 3.44Å
88	V	97.3	Very high	89.8	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	119.4	-177.2	-176.7	0	0	0	0	109.3	V86 L93 V94 L397 I408 S409 C411	V86-V88 HydrophobicContact CG1-CG2 4.42Å; V88-L93 HydrophobicContact CG1-CB 3.44Å; V88-L93 VanDerWaalsContact CG1-CB 3.44Å; V88-L93 HydrophobicContact CG1-CD1 4.24Å; V88-V94 HydrophobicContact CG1-CG2 3.97Å; V88-L397 HydrophobicContact CG2-CD2 3.76Å; V88-I408 HydrophobicContact CG2-CG2 3.6Å; V88-S409 PolarHBondContact N-O 3.25Å; V88-C411 WeakPolarHBondContact O-CB 3.31Å; V88-C411 PolarHBondContact O-N 2.91Å
89	A	96.8	Very high	90	Very high	9 Å²	9	40.7 Å²	40.7	7%	0.074	23%	0.228	C	C	.	.			trans	-123.1	20.9	-178.1	0	0	0	0	0	113.6	A69 P74 W76 C411 A414 T415	A69-A89 HydrophobicContact CB-CB 3.8Å; P74-A89 PolarHBondContact O-N 3.12Å; W76-A89 HydrophobicContact CH2-CB 4.06Å; W76-A89 HydrophobicContact CZ3-CB 3.67Å; A89-C411 HydrophobicContact CB-CB 3.91Å; A89-A414 HydrophobicContact CB-CB 4.03Å; A89-T415 WeakPolarHBondContact O-CG2 3.25Å
90	S	95.9	Very high	90.6	Very high	28 Å²	28	41.6 Å²	41.6	20%	0.196	23%	0.228	C	C	.	.			trans	-112.4	127.5	173.8	164.9	0	0	0	0	111.4	A92 L93 V94	S90-A92 PolarHBondContact O-N 3.42Å; S90-A92 PolarHBondContact OG-N 3.48Å; S90-L93 PolarHBondContact O-N 3.42Å; S90-L93 VanDerWaalsContact O-N 3.13Å; S90-V94 VanDerWaalsContact O-CG2 3.31Å; S90-V94 WeakPolarHBondContact O-CG2 3.35Å; S90-V94 PolarHBondContact O-N 3.38Å
91	P	96.1	Very high	91.5	Very high	5 Å²	5	41.7 Å²	41.7	3%	0.032	23%	0.229	C	C	.	.	H	α-helix	trans	-54.5	-36.8	178	-24.4	32.1	0	0	0	114.1	V94 E95 Q421 H441 A444	P91-V94 PolarHBondContact O-N 3.35Å; P91-E95 PolarHBondContact O-N 2.86Å; P91-Q421 HydrophobicContact CG-CG 3.87Å; P91-H441 HydrophobicContact CB-CB 3.72Å; P91-H441 WeakPolarHBondContact CB-ND1 3.26Å; P91-H441 HydrophobicContact CG-CB 4.34Å; P91-A444 HydrophobicContact CB-CB 4.15Å; P91-A444 HydrophobicContact CG-CB 3.78Å
92	A	96.8	Very high	92.5	Very high	55 Å²	55	39.9 Å²	39.9	46%	0.455	21%	0.207	S	C	.	.	H	α-helix	trans	-68.5	-42	179.3	0	0	0	0	0	111.8	S90 E95 Q96	S90-A92 PolarHBondContact O-N 3.42Å; S90-A92 PolarHBondContact OG-N 3.48Å; A92-E95 PolarHBondContact O-N 3.11Å; A92-Q96 WeakPolarHBondContact O-CB 3.37Å; A92-Q96 PolarHBondContact O-N 3.33Å
93	L	96.8	Very high	93.6	Very high	20 Å²	20	38.9 Å²	38.9	11%	0.105	20%	0.203	C	C	.	.	H	α-helix	trans	-68.6	-38	174.9	-64.8	-178.4	0	0	0	111.4	P74 I75 V88 S90 E95 Q96 L97 L397	P74-L93 HydrophobicContact CB-CD1 4.17Å; I75-L93 HydrophobicContact CB-CD1 4.15Å; V88-L93 HydrophobicContact CG1-CB 3.44Å; V88-L93 VanDerWaalsContact CG1-CB 3.44Å; V88-L93 HydrophobicContact CG1-CD1 4.24Å; S90-L93 PolarHBondContact O-N 3.42Å; S90-L93 VanDerWaalsContact O-N 3.13Å; L93-E95 VanDerWaalsContact C-N 3.33Å; L93-E95 PolarHBondContact O-N 3.44Å; L93-Q96 PolarHBondContact O-N 2.94Å; L93-L97 WeakPolarHBondContact O-CB 3.26Å; L93-L97 PolarHBondContact O-N 2.94Å; L93-L397 HydrophobicContact CB-CD1 4.16Å; L93-L397 HydrophobicContact CD2-CD1 4.3Å; L93-L397 HydrophobicContact CD2-CG 4.41Å; L93-L397 WeakPolarHBondContact O-CD1 3.49Å
94	V	96.8	Very high	94.4	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-59.9	-45.1	173.9	173	0	0	0	0	110.5	V88 S90 P91 L97 L98 L410 T415 F443 L446	V88-V94 HydrophobicContact CG1-CG2 3.97Å; S90-V94 VanDerWaalsContact O-CG2 3.31Å; S90-V94 WeakPolarHBondContact O-CG2 3.35Å; S90-V94 PolarHBondContact O-N 3.38Å; P91-V94 PolarHBondContact O-N 3.35Å; V94-L97 PolarHBondContact O-N 3.44Å; V94-L98 HydrophobicContact CG1-CD1 3.55Å; V94-L98 HydrophobicContact CG1-CG 4.37Å; V94-L98 WeakPolarHBondContact O-CB 3.19Å; V94-L98 WeakPolarHBondContact O-CD1 3.35Å; V94-L98 WeakPolarHBondContact O-CG 3.46Å; V94-L98 PolarHBondContact O-N 3.01Å; V94-L410 HydrophobicContact CB-CD2 4.43Å; V94-L410 HydrophobicContact CG1-CD1 4.43Å; V94-L410 HydrophobicContact CG1-CD2 4.13Å; V94-L410 HydrophobicContact CG2-CD2 3.98Å; V94-T415 HydrophobicContact CG2-CG2 4.5Å; V94-F443 HydrophobicContact CG1-CB 4.27Å; V94-F443 HydrophobicContact CG1-CD1 4.26Å; V94-L446 HydrophobicContact CG1-CD1 3.76Å
95	E	96.8	Very high	94.6	Very high	41 Å²	41	34 Å²	34	19%	0.192	18%	0.18	C	C	.	.	H	α-helix	trans	-61.2	-48.5	174.1	176.9	169.2	-154.6	0	0	112.3	P91 A92 L93 L97 L98 R99 H441 F443	P91-E95 PolarHBondContact O-N 2.86Å; A92-E95 PolarHBondContact O-N 3.11Å; L93-E95 VanDerWaalsContact C-N 3.33Å; L93-E95 PolarHBondContact O-N 3.44Å; E95-L97 VanDerWaalsContact C-N 3.28Å; E95-L97 PolarHBondContact O-N 3.48Å; E95-L98 PolarHBondContact O-N 2.99Å; E95-R99 HydrophobicContact CG-CG 4.16Å; E95-R99 WeakPolarHBondContact O-CB 3.45Å; E95-R99 WeakPolarHBondContact O-CG 3.38Å; E95-R99 PolarHBondContact O-N 3.04Å; E95-R99 IonicContact OE1-CZ 2.99Å; E95-R99 IonicContact OE1-NE 3.32Å; E95-R99 PolarHBondContact OE1-NE 3.22Å; E95-R99 IonicContact OE1-NH2 2.76Å; E95-R99 PolarHBondContact OE1-NH2 2.83Å; E95-H441 IonicContact OE2-CE1 3.28Å; E95-H441 PolarHBondContact OE2-CE1 3.18Å; E95-H441 IonicContact OE2-NE2 3.99Å; E95-H441 PolarHBondContact OE2-NE2 2.8Å; E95-H441 VanDerWaalsContact OE2-NE2 3.11Å; E95-F443 HydrophobicContact CB-CB 4.31Å; E95-F443 HydrophobicContact CB-CD1 4.09Å; E95-F443 HydrophobicContact CB-CD2 3.62Å; E95-F443 HydrophobicContact CB-CE1 4.31Å; E95-F443 HydrophobicContact CB-CE2 3.87Å; E95-F443 HydrophobicContact CB-CG 3.75Å; E95-F443 HydrophobicContact CB-CZ 4.21Å; E95-F443 HydrophobicContact CG-CD2 3.83Å; E95-F443 HydrophobicContact CG-CE1 4.43Å; E95-F443 HydrophobicContact CG-CE2 3.56Å; E95-F443 HydrophobicContact CG-CG 4.39Å; E95-F443 HydrophobicContact CG-CZ 3.9Å
96	Q	96.8	Very high	94.6	Very high	65 Å²	65	37.1 Å²	37.1	30%	0.304	19%	0.194	S	C	.	.	H	α-helix	trans	-56.5	-43.1	178.8	179.5	178.9	16.8	0	0	111.5	A92 L93 Q100 C396 L397	A92-Q96 WeakPolarHBondContact O-CB 3.37Å; A92-Q96 PolarHBondContact O-N 3.33Å; L93-Q96 PolarHBondContact O-N 2.94Å; Q96-Q100 VanDerWaalsContact CG-NE2 3.34Å; Q96-Q100 VanDerWaalsContact O-CG 3.32Å; Q96-Q100 WeakPolarHBondContact O-CG 3.42Å; Q96-Q100 PolarHBondContact O-NE2 3.24Å; Q96-C396 PolarHBondContact NE2-O 3.18Å; Q96-C396 VanDerWaalsContact NE2-O 3.12Å; Q96-L397 HydrophobicContact CB-CD1 4.23Å; Q96-L397 HydrophobicContact CG-CD1 4.21Å
97	L	95.9	Very high	94.3	Very high	7 Å²	7	40.5 Å²	40.5	4%	0.037	21%	0.206	C	C	.	.	H	α-helix	trans	-64	-51.6	176.1	177.6	64	0	0	0	111.4	L93 V94 E95 R99 Q100 R389 I395 L397 I408 L410	L93-L97 WeakPolarHBondContact O-CB 3.26Å; L93-L97 PolarHBondContact O-N 2.94Å; V94-L97 PolarHBondContact O-N 3.44Å; E95-L97 VanDerWaalsContact C-N 3.28Å; E95-L97 PolarHBondContact O-N 3.48Å; L97-R99 VanDerWaalsContact C-N 3.29Å; L97-R99 PolarHBondContact O-N 3.36Å; L97-Q100 PolarHBondContact O-N 3.48Å; L97-Q100 VanDerWaalsContact O-N 3.09Å; L97-R389 HydrophobicContact CD2-CB 4.16Å; L97-R389 HydrophobicContact CD2-CG 4.39Å; L97-I395 HydrophobicContact CD1-CD1 3.29Å; L97-L397 HydrophobicContact CB-CD1 4.03Å; L97-I408 HydrophobicContact CD1-CD1 3.65Å; L97-I408 HydrophobicContact CD2-CB 4.13Å; L97-I408 HydrophobicContact CD2-CD1 4.27Å; L97-I408 HydrophobicContact CD2-CG2 3.63Å; L97-L410 HydrophobicContact CD2-CD2 3.58Å; L97-L410 HydrophobicContact CD2-CG 4.48Å
98	L	95.3	Very high	93.6	Very high	5 Å²	5	40.4 Å²	40.4	3%	0.026	21%	0.211	C	C	.	.	H	α-helix	trans	-69	-27.6	-172.3	-70.1	169	0	0	0	112.9	V94 E95 Q100 E101 R389 L410 F443 L446 F450	V94-L98 HydrophobicContact CG1-CD1 3.55Å; V94-L98 HydrophobicContact CG1-CG 4.37Å; V94-L98 WeakPolarHBondContact O-CB 3.19Å; V94-L98 WeakPolarHBondContact O-CD1 3.35Å; V94-L98 WeakPolarHBondContact O-CG 3.46Å; V94-L98 PolarHBondContact O-N 3.01Å; E95-L98 PolarHBondContact O-N 2.99Å; L98-Q100 VanDerWaalsContact C-N 3.31Å; L98-E101 WeakPolarHBondContact CD2-OE1 3.22Å; L98-E101 WeakPolarHBondContact O-CB 3.4Å; L98-E101 WeakPolarHBondContact O-CG 3.41Å; L98-R389 HydrophobicContact CD2-CG 4.49Å; L98-L410 HydrophobicContact CD1-CD1 4.37Å; L98-L410 HydrophobicContact CD2-CD1 4.01Å; L98-L410 HydrophobicContact CG-CD1 4.39Å; L98-F443 HydrophobicContact CB-CE1 4.18Å; L98-F443 HydrophobicContact CD1-CD1 3.64Å; L98-F443 HydrophobicContact CD1-CE1 3.71Å; L98-L446 HydrophobicContact CD1-CD1 3.85Å; L98-F450 HydrophobicContact CB-CD1 3.87Å; L98-F450 HydrophobicContact CB-CE1 4.43Å; L98-F450 HydrophobicContact CD1-CB 3.83Å; L98-F450 HydrophobicContact CD1-CD1 4.27Å; L98-F450 HydrophobicContact CD1-CG 4.29Å
99	R	94.7	Very high	92.3	Very high	179 Å²	179	43.4 Å²	43.4	68%	0.675	23%	0.232	S	C	*	.	H	α-helix	trans	-75.1	-19.2	173.5	-72.4	-175.1	179.4	-103.1	6.3	113.5	E95 L97	E95-R99 HydrophobicContact CG-CG 4.16Å; E95-R99 WeakPolarHBondContact O-CB 3.45Å; E95-R99 WeakPolarHBondContact O-CG 3.38Å; E95-R99 PolarHBondContact O-N 3.04Å; E95-R99 IonicContact OE1-CZ 2.99Å; E95-R99 IonicContact OE1-NE 3.32Å; E95-R99 PolarHBondContact OE1-NE 3.22Å; E95-R99 IonicContact OE1-NH2 2.76Å; E95-R99 PolarHBondContact OE1-NH2 2.83Å; L97-R99 VanDerWaalsContact C-N 3.29Å; L97-R99 PolarHBondContact O-N 3.36Å
100	Q	93.6	Very high	91.4	Very high	54 Å²	54	45.6 Å²	45.6	25%	0.252	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	2.7	177.3	-70.4	179	81	0	0	113.3	Q96 L97 L98 R393 C396	Q96-Q100 VanDerWaalsContact CG-NE2 3.34Å; Q96-Q100 VanDerWaalsContact O-CG 3.32Å; Q96-Q100 WeakPolarHBondContact O-CG 3.42Å; Q96-Q100 PolarHBondContact O-NE2 3.24Å; L97-Q100 PolarHBondContact O-N 3.48Å; L97-Q100 VanDerWaalsContact O-N 3.09Å; L98-Q100 VanDerWaalsContact C-N 3.31Å; Q100-R393 PolarHBondContact O-NH2 2.92Å; Q100-C396 PolarHBondContact NE2-O 3.28Å
101	E	89.7	Confident	90.5	Very high	44 Å²	44	46.8 Å²	46.8	21%	0.206	25%	0.248	C	C	.	.			trans	-56.3	143.5	-178.1	-82	-177.9	177.4	0	0	113.5	L98 P105 R389	L98-E101 WeakPolarHBondContact CD2-OE1 3.22Å; L98-E101 WeakPolarHBondContact O-CB 3.4Å; L98-E101 WeakPolarHBondContact O-CG 3.41Å; E101-P105 HydrophobicContact CB-CG 4.33Å; E101-P105 HydrophobicContact CG-CB 4.41Å; E101-P105 HydrophobicContact CG-CG 4.48Å; E101-P105 WeakPolarHBondContact OE2-CG 3.31Å; E101-R389 IonicContact OE1-CZ 2.86Å; E101-R389 IonicContact OE1-NE 2.85Å; E101-R389 PolarHBondContact OE1-NE 2.94Å; E101-R389 IonicContact OE1-NH2 2.91Å; E101-R389 PolarHBondContact OE1-NH2 3.5Å
102	S	89.7	Confident	89.9	Confident	21 Å²	21	46.7 Å²	46.7	15%	0.147	25%	0.247	C	C	.	.			trans	-70.4	166.4	171.5	79	0	0	0	0	112.1	C104 P105 D392	S102-C104 PolarHBondContact O-N 2.87Å; S102-C104 VanDerWaalsContact OG-C 3.26Å; S102-C104 PolarHBondContact OG-N 3.27Å; S102-C104 PolarHBondContact OG-O 3.16Å; S102-C104 VanDerWaalsContact OG-O 3.13Å; S102-P105 WeakPolarHBondContact O-CD 3.32Å; S102-P105 WeakPolarHBondContact O-CG 3.19Å; S102-D392 VanDerWaalsContact CB-CG 3.47Å; S102-D392 WeakPolarHBondContact CB-OD2 3.37Å
103	P	89.2	Confident	89.6	Confident	88 Å²	88	44.2 Å²	44.2	57%	0.571	23%	0.226	S	C	*	.	S	Bend	trans	-59.1	-26.7	174.5	-26.4	36.1	0	0	0	114.5	Q135 K452	P103-Q135 PolarHBondContact O-OE1 3.41Å; P103-K452 WeakPolarHBondContact O-CD 3.33Å; P103-K452 PolarHBondContact O-NZ 2.97Å
104	C	91.7	Very high	89	Confident	36 Å²	36	44.5 Å²	44.5	24%	0.243	23%	0.231	C	C	.	.	S	Bend	trans	-122	76.2	178.2	-62.6	0	0	0	0	109.6	S102 E106 W134	S102-C104 PolarHBondContact O-N 2.87Å; S102-C104 VanDerWaalsContact OG-C 3.26Å; S102-C104 PolarHBondContact OG-N 3.27Å; S102-C104 PolarHBondContact OG-O 3.16Å; S102-C104 VanDerWaalsContact OG-O 3.13Å; C104-E106 PolarHBondContact O-N 3.09Å; C104-W134 HydrophobicContact CB-CE3 4.45Å; C104-W134 HydrophobicContact CB-CZ3 4.47Å
105	P	92.7	Very high	88.5	Confident	3 Å²	3	46.7 Å²	46.7	2%	0.019	24%	0.242	C	C	.	.			trans	-61.4	134.8	-173.8	-20	30.7	0	0	0	111.4	E101 S102 K452 R453	E101-P105 HydrophobicContact CB-CG 4.33Å; E101-P105 HydrophobicContact CG-CB 4.41Å; E101-P105 HydrophobicContact CG-CG 4.48Å; E101-P105 WeakPolarHBondContact OE2-CG 3.31Å; S102-P105 WeakPolarHBondContact O-CD 3.32Å; S102-P105 WeakPolarHBondContact O-CG 3.19Å; P105-K452 HydrophobicContact CG-CB 4.42Å; P105-R453 HydrophobicContact CB-CB 4.14Å; P105-R453 HydrophobicContact CG-CB 4.26Å; P105-R453 WeakPolarHBondContact O-CD 3.47Å; P105-R453 PolarHBondContact O-NH1 3.12Å
106	E	91.6	Very high	88.2	Confident	81 Å²	81	44.8 Å²	44.8	38%	0.379	23%	0.233	S	C	.	.	B	Isolated β-bridge	trans	-100.6	147	175.1	-69.1	-173	-173.4	0	0	111.7	C104 R389 V390	C104-E106 PolarHBondContact O-N 3.09Å; E106-R389 WeakPolarHBondContact O-CA 3.37Å; E106-R389 WeakPolarHBondContact O-CD 3.41Å; E106-V390 HydrophobicContact CB-CB 4.19Å; E106-V390 PolarHBondContact O-N 3.13Å; E106-V390 VanDerWaalsContact O-N 3.07Å
107	R	89.9	Confident	87.8	Confident	71 Å²	71	41.9 Å²	41.9	27%	0.268	22%	0.219	S	C	.	.			trans	-113.1	-175.2	174.2	-62.8	-171.5	176.4	-177.4	-5	109.5	S109 S388 R453	R107-S109 PolarHBondContact O-N 3.13Å; R107-S388 WeakPolarHBondContact CG-O 3.44Å; R107-R453 PolarHBondContact NH2-O 2.99Å
108	C	81.9	Confident	87.4	Confident	36 Å²	36	49.6 Å²	49.6	24%	0.243	25%	0.248	C	C	.	.			trans	-57.7	124.4	168.7	-171.5	0	0	0	0	109	F110 S388 L407	C108-F110 PolarHBondContact O-N 3.45Å; C108-S388 WeakPolarHBondContact CB-OG 3.2Å; C108-S388 PolarHBondContact N-OG 3.27Å; C108-L407 HydrophobicContact CB-CD1 3.88Å
109	S	70.3	Confident	87	Confident	64 Å²	64	56 Å²	56	45%	0.448	27%	0.271	S	S	.	.			trans	-64.8	121.5	175.7	-177.3	0	0	0	0	109.2	R107 S111	R107-S109 PolarHBondContact O-N 3.13Å; S109-S111 PolarHBondContact O-N 3.13Å
110	F	76.9	Confident	86.5	Confident	55 Å²	55	51.1 Å²	51.1	24%	0.241	26%	0.256	C	S	.	.			trans	-72.7	64.4	166.6	-65.3	-79.7	0	0	0	109.2	C108 S112 W113 A114 T232 M236	C108-F110 PolarHBondContact O-N 3.45Å; F110-S112 PolarHBondContact O-N 2.76Å; F110-S112 VanDerWaalsContact O-N 3.08Å; F110-W113 HydrophobicContact CB-CB 3.94Å; F110-W113 HydrophobicContact CB-CD2 3.74Å; F110-W113 HydrophobicContact CB-CE3 3.9Å; F110-W113 HydrophobicContact CB-CG 3.79Å; F110-W113 HydrophobicContact CD1-CD2 4.07Å; F110-W113 HydrophobicContact CD1-CE3 4.19Å; F110-W113 HydrophobicContact CD1-CH2 4.3Å; F110-W113 HydrophobicContact CD1-CZ2 4.16Å; F110-W113 HydrophobicContact CD1-CZ3 4.31Å; F110-W113 HydrophobicContact CD2-CE3 4.19Å; F110-W113 HydrophobicContact CD2-CZ3 4.32Å; F110-W113 HydrophobicContact CE1-CH2 4.28Å; F110-W113 HydrophobicContact CE1-CZ2 4.36Å; F110-W113 AromaticContact CG-CD2 3.96Å; F110-W113 HydrophobicContact CG-CD2 3.96Å; F110-W113 AromaticContact CG-CE3 3.84Å; F110-W113 HydrophobicContact CG-CE3 3.84Å; F110-W113 HydrophobicContact CG-CZ3 4.21Å; F110-W113 WeakPolarHBondContact O-CA 3.46Å; F110-W113 WeakPolarHBondContact O-CB 3.47Å; F110-W113 PolarHBondContact O-N 3.3Å; F110-A114 PolarHBondContact O-N 2.93Å; F110-T232 HydrophobicContact CD1-CG2 4.31Å; F110-M236 HydrophobicContact CD1-SD 3.98Å; F110-M236 HydrophobicContact CE1-SD 4.48Å
111	S	76.6	Confident	86.2	Confident	53 Å²	53	56.5 Å²	56.5	37%	0.371	28%	0.281	S	S	.	.	H	α-helix	trans	-53.6	-36.5	-171.5	61.6	0	0	0	0	112.4	S109 W113 E115	S109-S111 PolarHBondContact O-N 3.13Å; S111-W113 PolarHBondContact O-N 3.32Å; S111-E115 VanDerWaalsContact O-CB 3.23Å; S111-E115 WeakPolarHBondContact O-CB 3.41Å; S111-E115 PolarHBondContact O-N 3.33Å
112	S	84.5	Confident	86	Confident	2 Å²	2	57.3 Å²	57.3	1%	0.014	28%	0.282	C	S	.	.	H	α-helix	trans	-63.7	-38.1	175.2	-62.6	0	0	0	0	112.8	F110 H116 T235 W250	F110-S112 PolarHBondContact O-N 2.76Å; F110-S112 VanDerWaalsContact O-N 3.08Å; S112-H116 PolarHBondContact O-N 2.83Å; S112-H116 VanDerWaalsContact O-N 3.13Å; S112-T235 WeakPolarHBondContact CB-OG1 3.42Å; S112-T235 WeakPolarHBondContact OG-CB 3.43Å; S112-T235 PolarHBondContact OG-OG1 3.2Å; S112-W250 WeakPolarHBondContact O-CH2 3.23Å; S112-W250 WeakPolarHBondContact O-CZ3 3.3Å
113	W	89.3	Confident	85.9	Confident	4 Å²	4	57.3 Å²	57.3	2%	0.015	28%	0.284	C	S	.	.	H	α-helix	trans	-73.8	-46.2	177.9	-60.4	2.9	0	0	0	110.6	F110 S111 E115 H116 R117 L127 T128 T232 W257 L316	F110-W113 HydrophobicContact CB-CB 3.94Å; F110-W113 HydrophobicContact CB-CD2 3.74Å; F110-W113 HydrophobicContact CB-CE3 3.9Å; F110-W113 HydrophobicContact CB-CG 3.79Å; F110-W113 HydrophobicContact CD1-CD2 4.07Å; F110-W113 HydrophobicContact CD1-CE3 4.19Å; F110-W113 HydrophobicContact CD1-CH2 4.3Å; F110-W113 HydrophobicContact CD1-CZ2 4.16Å; F110-W113 HydrophobicContact CD1-CZ3 4.31Å; F110-W113 HydrophobicContact CD2-CE3 4.19Å; F110-W113 HydrophobicContact CD2-CZ3 4.32Å; F110-W113 HydrophobicContact CE1-CH2 4.28Å; F110-W113 HydrophobicContact CE1-CZ2 4.36Å; F110-W113 AromaticContact CG-CD2 3.96Å; F110-W113 HydrophobicContact CG-CD2 3.96Å; F110-W113 AromaticContact CG-CE3 3.84Å; F110-W113 HydrophobicContact CG-CE3 3.84Å; F110-W113 HydrophobicContact CG-CZ3 4.21Å; F110-W113 WeakPolarHBondContact O-CA 3.46Å; F110-W113 WeakPolarHBondContact O-CB 3.47Å; F110-W113 PolarHBondContact O-N 3.3Å; S111-W113 PolarHBondContact O-N 3.32Å; W113-E115 VanDerWaalsContact C-N 3.27Å; W113-E115 PolarHBondContact O-N 3.44Å; W113-H116 WeakPolarHBondContact O-CB 3.45Å; W113-H116 PolarHBondContact O-N 2.79Å; W113-H116 VanDerWaalsContact O-N 3.11Å; W113-R117 WeakPolarHBondContact O-CG 3.29Å; W113-R117 PolarHBondContact O-N 2.66Å; W113-L127 HydrophobicContact CZ3-CD2 4.38Å; W113-T128 HydrophobicContact CB-CG2 4.32Å; W113-T232 HydrophobicContact CZ2-CG2 4.01Å; W113-T232 VanDerWaalsContact NE1-CG2 3.26Å; W113-T232 PolarHBondContact NE1-OG1 2.93Å; W113-W257 HydrophobicContact CB-CZ2 4.42Å; W113-W257 AromaticContact CD1-NE1 3.46Å; W113-W257 HydrophobicContact CD2-CH2 4.38Å; W113-W257 AromaticContact CD2-CZ2 3.44Å; W113-W257 HydrophobicContact CD2-CZ2 3.44Å; W113-W257 VanDerWaalsContact CD2-CZ2 3.44Å; W113-W257 AromaticContact CE2-CZ2 3.62Å; W113-W257 HydrophobicContact CE3-CH2 4.19Å; W113-W257 AromaticContact CE3-CZ2 3.68Å; W113-W257 HydrophobicContact CE3-CZ2 3.68Å; W113-W257 AromaticContact CG-CZ2 3.78Å; W113-W257 HydrophobicContact CG-CZ2 3.78Å; W113-W257 AromaticContact CG-NE1 3.83Å; W113-W257 HydrophobicContact CH2-CZ2 4.23Å; W113-W257 HydrophobicContact CZ2-CZ2 4.03Å; W113-W257 HydrophobicContact CZ3-CH2 4.33Å; W113-W257 HydrophobicContact CZ3-CZ2 4.07Å; W113-W257 AromaticContact NE1-NE1 3.72Å; W113-L316 HydrophobicContact CH2-CD2 3.89Å; W113-L316 HydrophobicContact CZ2-CD2 4.44Å; W113-L316 HydrophobicContact CZ3-CD2 4.31Å
114	A	84.8	Confident	85.8	Confident	25 Å²	25	54.3 Å²	54.3	21%	0.207	27%	0.265	C	S	.	.	H	α-helix	trans	-59.1	-39.4	176.2	0	0	0	0	0	111.9	F110 R117 R118 T128	F110-A114 PolarHBondContact O-N 2.93Å; A114-R117 PolarHBondContact O-N 3.05Å; A114-R118 WeakPolarHBondContact O-CB 3.44Å; A114-R118 PolarHBondContact O-N 2.92Å; A114-T128 HydrophobicContact CB-CG2 3.99Å
115	E	86.1	Confident	85.6	Confident	47 Å²	47	52.6 Å²	52.6	22%	0.22	25%	0.253	C	S	.	.	H	α-helix	trans	-65.5	-40.2	174.6	177.8	63.5	-172.4	0	0	112.1	S111 W113 R118 R119 W250	S111-E115 VanDerWaalsContact O-CB 3.23Å; S111-E115 WeakPolarHBondContact O-CB 3.41Å; S111-E115 PolarHBondContact O-N 3.33Å; W113-E115 VanDerWaalsContact C-N 3.27Å; W113-E115 PolarHBondContact O-N 3.44Å; E115-R118 PolarHBondContact O-N 3.43Å; E115-R118 IonicContact OE2-CZ 2.75Å; E115-R118 IonicContact OE2-NH1 2.85Å; E115-R118 PolarHBondContact OE2-NH1 2.91Å; E115-R119 WeakPolarHBondContact O-CG 3.22Å; E115-R119 PolarHBondContact O-N 2.98Å; E115-R119 IonicContact OE1-CZ 2.78Å; E115-R119 VanDerWaalsContact OE1-CZ 3.32Å; E115-R119 IonicContact OE1-NE 2.75Å; E115-R119 PolarHBondContact OE1-NE 2.9Å; E115-R119 IonicContact OE1-NH2 3.87Å; E115-R119 PolarHBondContact OE1-NH2 3.48Å; E115-W250 HydrophobicContact CB-CH2 3.87Å; E115-W250 HydrophobicContact CG-CH2 3.6Å; E115-W250 HydrophobicContact CG-CZ2 3.98Å
116	H	90.4	Very high	85.5	Confident	0 Å²	0	53 Å²	53	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-58.2	-48.3	171.3	170.2	-82.7	0	0	0	111.3	S112 W113 R118 R119 H120 W257 N258	S112-H116 PolarHBondContact O-N 2.83Å; S112-H116 VanDerWaalsContact O-N 3.13Å; W113-H116 WeakPolarHBondContact O-CB 3.45Å; W113-H116 PolarHBondContact O-N 2.79Å; W113-H116 VanDerWaalsContact O-N 3.11Å; H116-R118 VanDerWaalsContact C-N 3.31Å; H116-R118 PolarHBondContact O-N 2.77Å; H116-R119 PolarHBondContact O-N 2.93Å; H116-H120 AromaticContact CD2-CD2 3.37Å; H116-H120 PolarHBondContact CD2-CD2 2.91Å; H116-H120 AromaticContact CD2-NE2 3.74Å; H116-H120 AromaticContact CE1-CD2 3.84Å; H116-H120 AromaticContact CG-CD2 3.98Å; H116-H120 AromaticContact NE2-CD2 3.28Å; H116-H120 PolarHBondContact NE2-CD2 2.75Å; H116-H120 VanDerWaalsContact NE2-CD2 3.28Å; H116-H120 AromaticContact NE2-CG 3.99Å; H116-H120 AromaticContact NE2-NE2 3.7Å; H116-H120 PolarHBondContact O-CD2 3Å; H116-H120 VanDerWaalsContact O-CD2 3.3Å; H116-H120 PolarHBondContact O-N 3.47Å; H116-W257 WeakPolarHBondContact NE2-CB 3.23Å; H116-N258 PolarHBondContact NE2-OD1 3.47Å
117	R	89.9	Confident	85.4	Confident	4 Å²	4	51.6 Å²	51.6	2%	0.015	25%	0.25	C	S	.	.	H	α-helix	trans	-56.7	-46.1	178	-62	-48	-179.9	-116.4	-7.6	112.1	W113 A114 H120 Q121 R122 W257 E313	W113-R117 WeakPolarHBondContact O-CG 3.29Å; W113-R117 PolarHBondContact O-N 2.66Å; A114-R117 PolarHBondContact O-N 3.05Å; R117-H120 PolarHBondContact O-N 3.44Å; R117-Q121 PolarHBondContact O-N 3.25Å; R117-R122 PolarHBondContact O-N 2.67Å; R117-W257 VanDerWaalsContact NH1-CD2 3.29Å; R117-E313 IonicContact NE-OE1 3.24Å; R117-E313 IonicContact NH2-OE1 2.77Å; R117-E313 PolarHBondContact NH2-OE1 3.01Å
118	R	86.5	Confident	85.4	Confident	169 Å²	169	48.8 Å²	48.8	64%	0.638	24%	0.241	S	C	*	.	H	α-helix	trans	-61.2	-47.7	178.8	-169.7	-173.4	-62.3	143.3	-4.5	112	A114 E115 H116 H120 Q121	A114-R118 WeakPolarHBondContact O-CB 3.44Å; A114-R118 PolarHBondContact O-N 2.92Å; E115-R118 PolarHBondContact O-N 3.43Å; E115-R118 IonicContact OE2-CZ 2.75Å; E115-R118 IonicContact OE2-NH1 2.85Å; E115-R118 PolarHBondContact OE2-NH1 2.91Å; H116-R118 VanDerWaalsContact C-N 3.31Å; H116-R118 PolarHBondContact O-N 2.77Å; R118-H120 VanDerWaalsContact C-N 3.32Å; R118-H120 PolarHBondContact O-N 3.46Å; R118-Q121 PolarHBondContact O-N 3.29Å
119	R	86.4	Confident	85.8	Confident	140 Å²	140	47.1 Å²	47.1	53%	0.528	23%	0.23	S	C	.	.	H	α-helix	trans	-64.9	-34.7	-179.4	-73.3	-169.5	-170.6	178.9	12.2	113.4	E115 H116	E115-R119 WeakPolarHBondContact O-CG 3.22Å; E115-R119 PolarHBondContact O-N 2.98Å; E115-R119 IonicContact OE1-CZ 2.78Å; E115-R119 VanDerWaalsContact OE1-CZ 3.32Å; E115-R119 IonicContact OE1-NE 2.75Å; E115-R119 PolarHBondContact OE1-NE 2.9Å; E115-R119 IonicContact OE1-NH2 3.87Å; E115-R119 PolarHBondContact OE1-NH2 3.48Å; H116-R119 PolarHBondContact O-N 2.93Å
120	H	85.3	Confident	86.6	Confident	76 Å²	76	46.5 Å²	46.5	35%	0.352	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	6.2	-177.5	-69.4	-79.9	0	0	0	113.7	H116 R117 R118 R122	H116-H120 AromaticContact CD2-CD2 3.37Å; H116-H120 PolarHBondContact CD2-CD2 2.91Å; H116-H120 AromaticContact CD2-NE2 3.74Å; H116-H120 AromaticContact CE1-CD2 3.84Å; H116-H120 AromaticContact CG-CD2 3.98Å; H116-H120 AromaticContact NE2-CD2 3.28Å; H116-H120 PolarHBondContact NE2-CD2 2.75Å; H116-H120 VanDerWaalsContact NE2-CD2 3.28Å; H116-H120 AromaticContact NE2-CG 3.99Å; H116-H120 AromaticContact NE2-NE2 3.7Å; H116-H120 PolarHBondContact O-CD2 3Å; H116-H120 VanDerWaalsContact O-CD2 3.3Å; H116-H120 PolarHBondContact O-N 3.47Å; R117-H120 PolarHBondContact O-N 3.44Å; R118-H120 VanDerWaalsContact C-N 3.32Å; R118-H120 PolarHBondContact O-N 3.46Å; H120-R122 HydrophobicContact CB-CG 4.11Å; H120-R122 PolarHBondContact O-N 3.45Å
121	Q	86	Confident	87.3	Confident	167 Å²	167	45 Å²	45	78%	0.78	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.4	42.4	-177.4	-57.9	175.7	25.8	0	0	112.6	R117 R118	R117-Q121 PolarHBondContact O-N 3.25Å; R118-Q121 PolarHBondContact O-N 3.29Å
122	R	86.9	Confident	88	Confident	61 Å²	61	50.7 Å²	50.7	23%	0.23	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-103.7	147.4	-179.9	-72.5	175.3	171	-176.8	-1.8	110.6	R117 H120 W257 N258 F261	R117-R122 PolarHBondContact O-N 2.67Å; H120-R122 HydrophobicContact CB-CG 4.11Å; H120-R122 PolarHBondContact O-N 3.45Å; R122-W257 PolarHBondContact NH1-O 2.77Å; R122-N258 PolarHBondContact NH1-OD1 3.45Å; R122-F261 HydrophobicContact CB-CE1 4.1Å; R122-F261 HydrophobicContact CG-CD1 4.33Å; R122-F261 HydrophobicContact CG-CE1 4.27Å
123	A	86.1	Confident	88.2	Confident	22 Å²	22	55.2 Å²	55.2	18%	0.182	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-69.1	147.3	174.7	0	0	0	0	0	111.4	Q305	A123-Q305 HydrophobicContact CB-CB 4.31Å; A123-Q305 WeakPolarHBondContact CB-O 3.35Å
124	C	87.1	Confident	88.4	Confident	25 Å²	25	55.2 Å²	55.2	17%	0.169	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-73.3	147.6	167.8	-68.9	0	0	0	0	110.2	A129	C124-A129 HydrophobicContact CB-CB 4.37Å
125	G	88.8	Confident	88.8	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	26%	0.264	C	S	.	.			trans	-97.2	-175	165.3	0	0	0	0	0	111.8	L127 T128 A129 E313	G125-L127 PolarHBondContact O-N 2.96Å; G125-T128 PolarHBondContact O-N 3.4Å; G125-A129 VanDerWaalsContact O-CB 3.23Å; G125-A129 WeakPolarHBondContact O-CB 3.41Å; G125-A129 PolarHBondContact O-N 3.38Å; G125-E313 WeakPolarHBondContact CA-OE2 3.46Å; G125-E313 PolarHBondContact N-OE1 2.86Å; G125-E313 PolarHBondContact N-OE2 2.89Å
126	L	90.7	Very high	89.1	Confident	10 Å²	10	61.9 Å²	61.9	5%	0.052	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-30.4	-178.4	-173.7	71.2	0	0	0	114.7	L137 R138 L141 N310 E313 I456	L126-L137 HydrophobicContact CD1-CB 3.87Å; L126-R138 HydrophobicContact CD1-CB 4.01Å; L126-L141 HydrophobicContact CB-CD1 4.27Å; L126-L141 HydrophobicContact CD1-CD1 4.42Å; L126-L141 HydrophobicContact CD2-CD1 3.95Å; L126-L141 HydrophobicContact CG-CD1 4.44Å; L126-N310 PolarHBondContact N-OD1 3.04Å; L126-N310 VanDerWaalsContact N-OD1 3.08Å; L126-E313 PolarHBondContact N-OE2 3.15Å; L126-I456 HydrophobicContact CD2-CB 3.82Å; L126-I456 HydrophobicContact CD2-CD1 4.43Å; L126-I456 HydrophobicContact CD2-CG1 3.92Å; L126-I456 HydrophobicContact CD2-CG2 3.78Å
127	L	89.3	Confident	89.2	Confident	53 Å²	53	62.2 Å²	62.2	28%	0.277	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-36.8	-178.3	-81.8	67.6	0	0	0	111.2	W113 G125 E313 A317	W113-L127 HydrophobicContact CZ3-CD2 4.38Å; G125-L127 PolarHBondContact O-N 2.96Å; L127-E313 WeakPolarHBondContact CA-OE2 3.22Å; L127-E313 VanDerWaalsContact CB-OE2 3.32Å; L127-E313 WeakPolarHBondContact CB-OE2 3.41Å; L127-E313 HydrophobicContact CD1-CB 4.22Å; L127-E313 PolarHBondContact N-OE2 3.12Å; L127-A317 HydrophobicContact CD2-CB 4.23Å
128	T	89.7	Confident	89.3	Confident	12 Å²	12	63 Å²	63	7%	0.074	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-23.2	-176.8	-46.1	0	0	0	0	113.2	W113 A114 G125 E313	W113-T128 HydrophobicContact CB-CG2 4.32Å; A114-T128 HydrophobicContact CB-CG2 3.99Å; G125-T128 PolarHBondContact O-N 3.4Å; T128-E313 WeakPolarHBondContact CB-OE1 3.44Å; T128-E313 PolarHBondContact N-OE2 3.33Å; T128-E313 VanDerWaalsContact N-OE2 3.15Å; T128-E313 PolarHBondContact OG1-OE1 3.02Å
129	A	89.7	Confident	89.6	Confident	1 Å²	1	58 Å²	58	1%	0.008	28%	0.279	C	S	.	.			trans	-69.1	148.6	177.3	0	0	0	0	0	111.9	C124 G125 E133 W134 L137 R453	C124-A129 HydrophobicContact CB-CB 4.37Å; G125-A129 VanDerWaalsContact O-CB 3.23Å; G125-A129 WeakPolarHBondContact O-CB 3.41Å; G125-A129 PolarHBondContact O-N 3.38Å; A129-E133 HydrophobicContact CB-CB 4.47Å; A129-E133 HydrophobicContact CB-CG 4.09Å; A129-W134 HydrophobicContact CB-CB 4.17Å; A129-L137 HydrophobicContact CB-CD1 4Å; A129-R453 PolarHBondContact O-NH2 3.26Å
130	D	88.5	Confident	89.8	Confident	51 Å²	51	53.4 Å²	53.4	27%	0.273	26%	0.264	S	S	.	.			trans	-133.4	172	175.5	-73.1	-47.4	0	0	0	111	E133 W134 R453	D130-E133 PolarHBondContact O-N 2.67Å; D130-W134 PolarHBondContact O-N 3.41Å; D130-R453 IonicContact OD1-CZ 3.74Å; D130-R453 VanDerWaalsContact OD1-CZ 3.24Å; D130-R453 IonicContact OD1-NH1 3.78Å; D130-R453 PolarHBondContact OD1-NH1 3.11Å; D130-R453 IonicContact OD1-NH2 3.45Å; D130-R453 PolarHBondContact OD1-NH2 3.4Å
131	G	90.6	Very high	90	Very high	22 Å²	22	49.8 Å²	49.8	23%	0.227	25%	0.248	C	C	.	.	H	α-helix	trans	56.8	-135.7	176.8	0	0	0	0	0	114.7	W134 Q135	G131-W134 PolarHBondContact O-N 3.44Å; G131-Q135 PolarHBondContact O-N 2.91Å; G131-Q135 VanDerWaalsContact O-N 3.07Å
132	E	91.1	Very high	90.3	Very high	173 Å²	173	43 Å²	43	81%	0.808	22%	0.22	S	C	*	.	H	α-helix	trans	-66.4	-35.2	-177.6	-65.2	-175.9	172.5	0	0	113.2	Q135 R136	E132-Q135 PolarHBondContact O-N 3.42Å; E132-R136 WeakPolarHBondContact O-CB 3.25Å; E132-R136 PolarHBondContact O-N 2.96Å
133	E	89.6	Confident	90.5	Very high	97 Å²	97	42 Å²	42	45%	0.453	22%	0.222	S	C	.	.	H	α-helix	trans	-63.3	-46.6	177.2	-175.7	-179.9	-169.7	0	0	110.4	A129 D130 Q135 R136 L137	A129-E133 HydrophobicContact CB-CB 4.47Å; A129-E133 HydrophobicContact CB-CG 4.09Å; D130-E133 PolarHBondContact O-N 2.67Å; E133-Q135 PolarHBondContact O-N 3.44Å; E133-R136 PolarHBondContact O-N 2.86Å; E133-L137 HydrophobicContact CG-CD1 4.37Å; E133-L137 WeakPolarHBondContact O-CG 3.41Å; E133-L137 PolarHBondContact O-N 2.93Å
134	W	93.2	Very high	90.6	Very high	4 Å²	4	42.6 Å²	42.6	2%	0.015	22%	0.221	C	C	.	.	H	α-helix	trans	-58.1	-47.7	173.3	171.1	81.4	0	0	0	111.7	C104 A129 D130 G131 R136 L137 R138 K452 R453	C104-W134 HydrophobicContact CB-CE3 4.45Å; C104-W134 HydrophobicContact CB-CZ3 4.47Å; A129-W134 HydrophobicContact CB-CB 4.17Å; D130-W134 PolarHBondContact O-N 3.41Å; G131-W134 PolarHBondContact O-N 3.44Å; W134-R136 VanDerWaalsContact C-N 3.3Å; W134-R136 PolarHBondContact O-N 2.61Å; W134-L137 PolarHBondContact O-N 3.26Å; W134-R138 HydrophobicContact CD2-CB 4.48Å; W134-R138 HydrophobicContact CH2-CB 4.48Å; W134-R138 HydrophobicContact CH2-CG 4.15Å; W134-R138 HydrophobicContact CZ2-CB 4.08Å; W134-R138 HydrophobicContact CZ2-CG 3.8Å; W134-R138 WeakPolarHBondContact O-CB 3.37Å; W134-R138 PolarHBondContact O-N 2.64Å; W134-K452 HydrophobicContact CH2-CB 4.01Å; W134-R453 HydrophobicContact CH2-CB 4.06Å; W134-R453 HydrophobicContact CH2-CG 4.41Å; W134-R453 HydrophobicContact CZ2-CB 3.55Å; W134-R453 HydrophobicContact CZ2-CG 3.51Å
135	Q	93.7	Very high	90.7	Very high	54 Å²	54	41.7 Å²	41.7	25%	0.252	22%	0.215	S	C	.	.	H	α-helix	trans	-62	-39.7	-179	-179.3	61.6	54.4	0	0	111.3	P103 G131 E132 E133 S139	P103-Q135 PolarHBondContact O-OE1 3.41Å; G131-Q135 PolarHBondContact O-N 2.91Å; G131-Q135 VanDerWaalsContact O-N 3.07Å; E132-Q135 PolarHBondContact O-N 3.42Å; E133-Q135 PolarHBondContact O-N 3.44Å; Q135-S139 PolarHBondContact NE2-OG 2.87Å; Q135-S139 VanDerWaalsContact NE2-OG 3.11Å; Q135-S139 WeakPolarHBondContact O-CB 3.22Å; Q135-S139 PolarHBondContact O-N 3.06Å; Q135-S139 PolarHBondContact O-OG 3.07Å
136	R	91.9	Very high	90.8	Very high	158 Å²	158	44 Å²	44	60%	0.596	23%	0.227	S	C	*	.	H	α-helix	trans	-61.5	-53.5	174.9	-178.1	-177.1	175	-164	-1.5	111.2	E132 E133 W134 R138 S139 L140	E132-R136 WeakPolarHBondContact O-CB 3.25Å; E132-R136 PolarHBondContact O-N 2.96Å; E133-R136 PolarHBondContact O-N 2.86Å; W134-R136 VanDerWaalsContact C-N 3.3Å; W134-R136 PolarHBondContact O-N 2.61Å; R136-R138 VanDerWaalsContact C-N 3.32Å; R136-R138 PolarHBondContact O-N 2.76Å; R136-S139 PolarHBondContact O-N 2.93Å; R136-L140 HydrophobicContact CG-CD1 4.43Å; R136-L140 WeakPolarHBondContact O-CG 3.39Å; R136-L140 PolarHBondContact O-N 2.75Å
137	L	91.4	Very high	90.7	Very high	8 Å²	8	50.6 Å²	50.6	4%	0.042	25%	0.251	C	S	.	.	H	α-helix	trans	-60.7	-42.1	179	-68.5	175.7	0	0	0	111.6	L126 A129 E133 W134 L140 L141 N310	L126-L137 HydrophobicContact CD1-CB 3.87Å; A129-L137 HydrophobicContact CB-CD1 4Å; E133-L137 HydrophobicContact CG-CD1 4.37Å; E133-L137 WeakPolarHBondContact O-CG 3.41Å; E133-L137 PolarHBondContact O-N 2.93Å; W134-L137 PolarHBondContact O-N 3.26Å; L137-L140 PolarHBondContact O-N 3.49Å; L137-L141 WeakPolarHBondContact O-CB 3.41Å; L137-L141 WeakPolarHBondContact O-CG 3.4Å; L137-L141 PolarHBondContact O-N 3.24Å; L137-N310 WeakPolarHBondContact CD2-ND2 3.43Å
138	R	93.9	Very high	90.6	Very high	19 Å²	19	51.7 Å²	51.7	7%	0.072	26%	0.261	C	S	.	.	H	α-helix	trans	-62.2	-44.5	178.3	-178.7	59.8	174.6	-156.2	-3.4	111.8	L126 W134 R136 L140 L141 A142 K452 S454 I456	L126-R138 HydrophobicContact CD1-CB 4.01Å; W134-R138 HydrophobicContact CD2-CB 4.48Å; W134-R138 HydrophobicContact CH2-CB 4.48Å; W134-R138 HydrophobicContact CH2-CG 4.15Å; W134-R138 HydrophobicContact CZ2-CB 4.08Å; W134-R138 HydrophobicContact CZ2-CG 3.8Å; W134-R138 WeakPolarHBondContact O-CB 3.37Å; W134-R138 PolarHBondContact O-N 2.64Å; R136-R138 VanDerWaalsContact C-N 3.32Å; R136-R138 PolarHBondContact O-N 2.76Å; R138-L140 VanDerWaalsContact C-N 3.29Å; R138-L140 PolarHBondContact O-N 3.42Å; R138-L141 PolarHBondContact O-N 3Å; R138-A142 WeakPolarHBondContact O-CB 3.2Å; R138-A142 PolarHBondContact O-N 3.21Å; R138-K452 PolarHBondContact NE-O 3.35Å; R138-K452 PolarHBondContact NH2-O 3.32Å; R138-S454 VanDerWaalsContact CZ-O 3.31Å; R138-S454 PolarHBondContact NH1-O 3.41Å; R138-S454 PolarHBondContact NH2-O 2.84Å; R138-S454 PolarHBondContact NH2-OG 2.99Å; R138-I456 VanDerWaalsContact NH1-CA 3.35Å; R138-I456 VanDerWaalsContact NH1-CB 3.29Å
139	S	92.4	Very high	90.2	Very high	66 Å²	66	58.3 Å²	58.3	46%	0.462	29%	0.291	S	S	.	.	H	α-helix	trans	-63.9	-33.6	178.7	-63.5	0	0	0	0	112.6	Q135 R136 P143	Q135-S139 PolarHBondContact NE2-OG 2.87Å; Q135-S139 VanDerWaalsContact NE2-OG 3.11Å; Q135-S139 WeakPolarHBondContact O-CB 3.22Å; Q135-S139 PolarHBondContact O-N 3.06Å; Q135-S139 PolarHBondContact O-OG 3.07Å; R136-S139 PolarHBondContact O-N 2.93Å; S139-P143 WeakPolarHBondContact O-CD 3.42Å; S139-P143 WeakPolarHBondContact O-CG 3.5Å
140	L	89.8	Confident	90	Very high	42 Å²	42	59.6 Å²	59.6	22%	0.22	30%	0.302	C	S	.	.	H	α-helix	trans	-72.5	-42.6	176.3	-67.9	170.6	0	0	0	112.1	R136 L137 R138 E300 L302	R136-L140 HydrophobicContact CG-CD1 4.43Å; R136-L140 WeakPolarHBondContact O-CG 3.39Å; R136-L140 PolarHBondContact O-N 2.75Å; L137-L140 PolarHBondContact O-N 3.49Å; R138-L140 VanDerWaalsContact C-N 3.29Å; R138-L140 PolarHBondContact O-N 3.42Å; L140-E300 HydrophobicContact CD2-CG 4.19Å; L140-L302 HydrophobicContact CD1-CD1 4.23Å; L140-L302 HydrophobicContact CD1-CD2 4.26Å
141	L	90.3	Very high	89.8	Confident	1 Å²	1	57.4 Å²	57.4	1%	0.005	29%	0.291	C	S	.	.	H	α-helix	trans	-84	-33	-173.2	-68.6	174.8	0	0	0	114	L126 L137 R138 L144 L145 L293 L297 L314 I456	L126-L141 HydrophobicContact CB-CD1 4.27Å; L126-L141 HydrophobicContact CD1-CD1 4.42Å; L126-L141 HydrophobicContact CD2-CD1 3.95Å; L126-L141 HydrophobicContact CG-CD1 4.44Å; L137-L141 WeakPolarHBondContact O-CB 3.41Å; L137-L141 WeakPolarHBondContact O-CG 3.4Å; L137-L141 PolarHBondContact O-N 3.24Å; R138-L141 PolarHBondContact O-N 3Å; L141-L144 PolarHBondContact O-N 3.31Å; L141-L144 VanDerWaalsContact O-N 3.13Å; L141-L145 PolarHBondContact O-N 2.92Å; L141-L145 VanDerWaalsContact O-N 3.09Å; L141-L293 HydrophobicContact CD2-CD1 3.96Å; L141-L293 HydrophobicContact CD2-CD2 3.77Å; L141-L293 HydrophobicContact CD2-CG 4.18Å; L141-L297 HydrophobicContact CD2-CD2 3.89Å; L141-L314 HydrophobicContact CD1-CD1 4.44Å; L141-I456 HydrophobicContact CB-CD1 4.05Å; L141-I456 HydrophobicContact CB-CG1 4.32Å
142	A	92.3	Very high	89.5	Confident	24 Å²	24	58.3 Å²	58.3	20%	0.198	30%	0.297	C	S	.	.	H	α-helix	trans	-59	-43.4	-175.4	0	0	0	0	0	114	R138 L144 L145 L146 I456	R138-A142 WeakPolarHBondContact O-CB 3.2Å; R138-A142 PolarHBondContact O-N 3.21Å; A142-L144 PolarHBondContact O-N 2.88Å; A142-L145 PolarHBondContact O-N 2.86Å; A142-L146 HydrophobicContact CB-CD1 3.97Å; A142-L146 VanDerWaalsContact O-CB 3.31Å; A142-L146 WeakPolarHBondContact O-CB 3.36Å; A142-L146 PolarHBondContact O-N 3.35Å; A142-I456 HydrophobicContact CB-CD1 4.19Å
143	P	90.3	Very high	89.2	Confident	41 Å²	41	52.1 Å²	52.1	27%	0.266	28%	0.279	S	S	.	.	H	α-helix	trans	-58.4	-32.2	175.7	-27.8	37.5	0	0	0	114	S139 R147 A150	S139-P143 WeakPolarHBondContact O-CD 3.42Å; S139-P143 WeakPolarHBondContact O-CG 3.5Å; P143-R147 WeakPolarHBondContact O-CB 3.19Å; P143-R147 WeakPolarHBondContact O-CD 3.46Å; P143-R147 WeakPolarHBondContact O-CG 3.32Å; P143-A150 WeakPolarHBondContact O-CB 3.35Å
144	L	88.1	Confident	89.1	Confident	34 Å²	34	47.7 Å²	47.7	18%	0.178	26%	0.258	C	S	.	.	H	α-helix	trans	-84	-33.5	-175.3	-56.2	175.4	0	0	0	112	L141 A142 A150 L293 F296	L141-L144 PolarHBondContact O-N 3.31Å; L141-L144 VanDerWaalsContact O-N 3.13Å; A142-L144 PolarHBondContact O-N 2.88Å; L144-A150 VanDerWaalsContact O-CB 3.29Å; L144-A150 WeakPolarHBondContact O-CB 3.45Å; L144-L293 HydrophobicContact CB-CD1 3.86Å; L144-L293 HydrophobicContact CD1-CD1 3.49Å; L144-L293 VanDerWaalsContact CD1-CD1 3.49Å; L144-L293 HydrophobicContact CG-CD1 4.31Å; L144-F296 HydrophobicContact CD1-CB 3.84Å; L144-F296 HydrophobicContact CD1-CG 4.16Å; L144-F296 HydrophobicContact CD2-CD1 4.23Å; L144-F296 HydrophobicContact CD2-CE1 4.47Å; L144-F296 HydrophobicContact CD2-CG 4.27Å
145	L	89.6	Confident	88.9	Confident	6 Å²	6	48.2 Å²	48.2	3%	0.031	26%	0.263	C	S	.	.	H	α-helix	trans	-110.2	-23.6	-171.8	-64.2	172.4	0	0	0	114.8	L141 A142 Y154 L293 I456 L460	L141-L145 PolarHBondContact O-N 2.92Å; L141-L145 VanDerWaalsContact O-N 3.09Å; A142-L145 PolarHBondContact O-N 2.86Å; L145-Y154 HydrophobicContact CD2-CE2 4.31Å; L145-L293 HydrophobicContact CD1-CD2 4.35Å; L145-I456 HydrophobicContact CB-CG1 4.2Å; L145-I456 WeakPolarHBondContact CB-O 3.46Å; L145-I456 HydrophobicContact CD1-CG1 3.69Å; L145-L460 HydrophobicContact CD2-CD2 4.49Å
146	L	90.5	Very high	88.4	Confident	47 Å²	47	48.1 Å²	48.1	25%	0.246	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	-19.4	-174.9	-66.2	176.5	0	0	0	114.4	A142 C455 I456 R458 R459	A142-L146 HydrophobicContact CB-CD1 3.97Å; A142-L146 VanDerWaalsContact O-CB 3.31Å; A142-L146 WeakPolarHBondContact O-CB 3.36Å; A142-L146 PolarHBondContact O-N 3.35Å; L146-C455 WeakPolarHBondContact CD2-O 3.06Å; L146-I456 HydrophobicContact CD1-CD1 4.05Å; L146-I456 WeakPolarHBondContact CD2-O 3.42Å; L146-I456 HydrophobicContact CG-CD1 4.19Å; L146-R458 HydrophobicContact CD2-CB 4.39Å; L146-R459 WeakPolarHBondContact O-CG 3.34Å
147	R	89.3	Confident	88.2	Confident	149 Å²	149	42.7 Å²	42.7	56%	0.562	26%	0.261	S	S	*	.	S	Bend	trans	-71.7	129.3	175.6	-69.4	-176.5	-178.2	173.3	1	109.4	P143 Q149 A150 A151	P143-R147 WeakPolarHBondContact O-CB 3.19Å; P143-R147 WeakPolarHBondContact O-CD 3.46Å; P143-R147 WeakPolarHBondContact O-CG 3.32Å; R147-Q149 VanDerWaalsContact C-N 3.28Å; R147-Q149 PolarHBondContact O-N 2.98Å; R147-A150 HydrophobicContact CB-CB 4.03Å; R147-A150 PolarHBondContact O-N 3.03Å; R147-A150 VanDerWaalsContact O-N 3.12Å; R147-A151 PolarHBondContact O-N 3.11Å
148	P	85.9	Confident	88.2	Confident	76 Å²	76	42.3 Å²	42.3	49%	0.494	26%	0.259	S	S	.	.	H	α-helix	trans	-53.8	-42.3	-178.7	-28.4	35.8	0	0	0	113.7	A151 A152	P148-A151 PolarHBondContact O-N 3.31Å; P148-A152 WeakPolarHBondContact O-CB 3.45Å; P148-A152 PolarHBondContact O-N 3.01Å
149	Q	83.3	Confident	87.9	Confident	151 Å²	151	42.4 Å²	42.4	71%	0.706	26%	0.261	S	S	*	.	H	α-helix	trans	-66.9	-40.4	179.4	-62.8	81.6	3.6	0	0	112.3	R147 A152 G153	R147-Q149 VanDerWaalsContact C-N 3.28Å; R147-Q149 PolarHBondContact O-N 2.98Å; Q149-A152 PolarHBondContact O-N 3.22Å; Q149-G153 PolarHBondContact O-N 3.38Å; Q149-G153 VanDerWaalsContact O-N 3.11Å
150	A	83.9	Confident	87.8	Confident	29 Å²	29	43.7 Å²	43.7	24%	0.24	26%	0.263	C	S	.	.	H	α-helix	trans	-66.4	-44	178	0	0	0	0	0	110.9	P143 L144 R147 A152 G153 Y154	P143-A150 WeakPolarHBondContact O-CB 3.35Å; L144-A150 VanDerWaalsContact O-CB 3.29Å; L144-A150 WeakPolarHBondContact O-CB 3.45Å; R147-A150 HydrophobicContact CB-CB 4.03Å; R147-A150 PolarHBondContact O-N 3.03Å; R147-A150 VanDerWaalsContact O-N 3.12Å; A150-A152 PolarHBondContact O-N 3.1Å; A150-G153 PolarHBondContact O-N 2.75Å; A150-G153 VanDerWaalsContact O-N 3.14Å; A150-Y154 WeakPolarHBondContact O-CD2 3.25Å
151	A	84.6	Confident	88	Confident	5 Å²	5	41.7 Å²	41.7	4%	0.041	25%	0.252	C	S	.	.	H	α-helix	trans	-61.1	-43.6	175.6	0	0	0	0	0	112.2	R147 P148 G153 Y154 R459 L463	R147-A151 PolarHBondContact O-N 3.11Å; P148-A151 PolarHBondContact O-N 3.31Å; A151-G153 PolarHBondContact O-N 3.34Å; A151-Y154 WeakPolarHBondContact O-CB 3.39Å; A151-Y154 PolarHBondContact O-N 2.52Å; A151-R459 HydrophobicContact CB-CB 3.52Å; A151-R459 HydrophobicContact CB-CG 4.49Å; A151-L463 VanDerWaalsContact O-CD2 3.23Å; A151-L463 WeakPolarHBondContact O-CD2 3.18Å
152	A	85.1	Confident	88.2	Confident	41 Å²	41	41.6 Å²	41.6	34%	0.339	25%	0.252	S	S	.	.	H	α-helix	trans	-62.7	-28.1	176.3	0	0	0	0	0	112.9	P148 Q149 A150 Y154 A155	P148-A152 WeakPolarHBondContact O-CB 3.45Å; P148-A152 PolarHBondContact O-N 3.01Å; Q149-A152 PolarHBondContact O-N 3.22Å; A150-A152 PolarHBondContact O-N 3.1Å; A152-Y154 PolarHBondContact O-N 2.85Å; A152-A155 WeakPolarHBondContact O-CB 3.5Å; A152-A155 PolarHBondContact O-N 3.11Å
153	G	84.6	Confident	88.2	Confident	42 Å²	42	43.5 Å²	43.5	43%	0.433	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-20.7	172.8	0	0	0	0	0	114.1	Q149 A150 A151 A155	Q149-G153 PolarHBondContact O-N 3.38Å; Q149-G153 VanDerWaalsContact O-N 3.11Å; A150-G153 PolarHBondContact O-N 2.75Å; A150-G153 VanDerWaalsContact O-N 3.14Å; A151-G153 PolarHBondContact O-N 3.34Å; G153-A155 VanDerWaalsContact C-N 3.35Å
154	Y	87.3	Confident	88.5	Confident	5 Å²	5	42.6 Å²	42.6	2%	0.02	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-9	175.5	-63.3	-59.1	0	0	0	114.3	L145 A150 A151 A152 G156 T157 L158 V201 H291 L460	L145-Y154 HydrophobicContact CD2-CE2 4.31Å; A150-Y154 WeakPolarHBondContact O-CD2 3.25Å; A151-Y154 WeakPolarHBondContact O-CB 3.39Å; A151-Y154 PolarHBondContact O-N 2.52Å; A152-Y154 PolarHBondContact O-N 2.85Å; Y154-G156 VanDerWaalsContact C-N 3.34Å; Y154-G156 PolarHBondContact O-N 3.25Å; Y154-T157 WeakPolarHBondContact O-CB 3.19Å; Y154-T157 PolarHBondContact O-N 2.94Å; Y154-T157 VanDerWaalsContact O-N 3.12Å; Y154-L158 PolarHBondContact O-N 2.94Å; Y154-V201 HydrophobicContact CD1-CB 4.29Å; Y154-V201 HydrophobicContact CD1-CG1 3.63Å; Y154-V201 HydrophobicContact CD1-CG2 4Å; Y154-V201 HydrophobicContact CD2-CG1 4.22Å; Y154-V201 HydrophobicContact CE1-CG1 3.62Å; Y154-V201 HydrophobicContact CE2-CG1 4.24Å; Y154-V201 HydrophobicContact CG-CG1 3.95Å; Y154-V201 HydrophobicContact CG-CG2 4.15Å; Y154-H291 HydrophobicContact CE1-CB 4.18Å; Y154-H291 WeakPolarHBondContact CE1-O 3.44Å; Y154-H291 PolarHBondContact OH-O 2.96Å; Y154-H291 VanDerWaalsContact OH-O 3.09Å; Y154-L460 HydrophobicContact CD2-CD1 4.12Å; Y154-L460 HydrophobicContact CG-CD1 4.26Å
155	A	87.8	Confident	88.9	Confident	15 Å²	15	41 Å²	41	12%	0.124	24%	0.241	C	C	.	.	H	α-helix	trans	-57.8	-44.3	-176.1	0	0	0	0	0	112.5	A152 G153 T157 L158 D159 A361 L463 M467	A152-A155 WeakPolarHBondContact O-CB 3.5Å; A152-A155 PolarHBondContact O-N 3.11Å; G153-A155 VanDerWaalsContact C-N 3.35Å; A155-T157 VanDerWaalsContact C-N 3.29Å; A155-T157 PolarHBondContact O-N 3.43Å; A155-L158 PolarHBondContact O-N 2.91Å; A155-D159 WeakPolarHBondContact O-CB 3.38Å; A155-D159 PolarHBondContact O-N 3.49Å; A155-A361 HydrophobicContact CB-CB 3.64Å; A155-L463 HydrophobicContact CB-CD2 4.34Å; A155-M467 HydrophobicContact CB-SD 4.37Å; A155-M467 WeakPolarHBondContact O-CE 3.23Å
156	G	84.9	Confident	89.2	Confident	52 Å²	52	41 Å²	41	54%	0.536	24%	0.241	S	C	.	.	H	α-helix	trans	-62.6	-35.2	178.6	0	0	0	0	0	113.3	Y154 N160	Y154-G156 VanDerWaalsContact C-N 3.34Å; Y154-G156 PolarHBondContact O-N 3.25Å; G156-N160 PolarHBondContact O-ND2 3.24Å
157	T	87.3	Confident	89.4	Confident	43 Å²	43	44.5 Å²	44.5	26%	0.264	25%	0.251	S	S	.	.	H	α-helix	trans	-68.1	-46.2	174.7	-58.3	0	0	0	0	111.1	Y154 A155 D159 A200	Y154-T157 WeakPolarHBondContact O-CB 3.19Å; Y154-T157 PolarHBondContact O-N 2.94Å; Y154-T157 VanDerWaalsContact O-N 3.12Å; A155-T157 VanDerWaalsContact C-N 3.29Å; A155-T157 PolarHBondContact O-N 3.43Å; T157-D159 VanDerWaalsContact C-N 3.35Å; T157-A200 HydrophobicContact CG2-CB 3.55Å
158	L	90.4	Very high	89.7	Confident	0 Å²	0	38 Å²	38	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-69.8	-30.1	-178.9	-69.1	174.6	0	0	0	112.9	Y154 A155 N160 V161 V162 V201 L460 L463 E464 M467	Y154-L158 PolarHBondContact O-N 2.94Å; A155-L158 PolarHBondContact O-N 2.91Å; L158-N160 VanDerWaalsContact C-N 3.31Å; L158-N160 PolarHBondContact O-N 2.98Å; L158-V161 WeakPolarHBondContact O-CB 3.49Å; L158-V161 PolarHBondContact O-N 2.94Å; L158-V162 WeakPolarHBondContact O-CG2 3.49Å; L158-V162 PolarHBondContact O-N 3.28Å; L158-V201 HydrophobicContact CD2-CG2 4.09Å; L158-V201 HydrophobicContact CG-CG2 4.34Å; L158-L460 HydrophobicContact CD1-CD1 3.91Å; L158-L463 HydrophobicContact CD1-CD2 3.92Å; L158-L463 HydrophobicContact CD1-CG 4.05Å; L158-E464 HydrophobicContact CD1-CB 4.23Å; L158-E464 HydrophobicContact CD2-CG 4.35Å; L158-M467 HydrophobicContact CB-CE 4.1Å; L158-M467 HydrophobicContact CB-SD 3.91Å; L158-M467 HydrophobicContact CD1-SD 4.35Å
159	D	89.1	Confident	90.2	Very high	22 Å²	22	34.4 Å²	34.4	12%	0.118	20%	0.203	C	C	.	.	H	α-helix	trans	-56.6	-46.8	-178.4	-167.4	55.8	0	0	0	111	A155 T157 V161 V162 H163 H358 M467	A155-D159 WeakPolarHBondContact O-CB 3.38Å; A155-D159 PolarHBondContact O-N 3.49Å; T157-D159 VanDerWaalsContact C-N 3.35Å; D159-V161 VanDerWaalsContact C-N 3.34Å; D159-V161 PolarHBondContact O-N 2.7Å; D159-V162 PolarHBondContact O-N 2.84Å; D159-H163 VanDerWaalsContact CG-CE1 3.49Å; D159-H163 PolarHBondContact O-N 3.46Å; D159-H163 PolarHBondContact O-ND1 2.82Å; D159-H163 IonicContact OD1-CE1 3.81Å; D159-H163 PolarHBondContact OD1-CE1 3.34Å; D159-H163 VanDerWaalsContact OD1-CE1 3.29Å; D159-H163 IonicContact OD1-ND1 2.89Å; D159-H163 IonicContact OD2-CE1 3.34Å; D159-H163 PolarHBondContact OD2-CE1 2.7Å; D159-H163 VanDerWaalsContact OD2-CE1 3.25Å; D159-H163 IonicContact OD2-ND1 2.74Å; D159-H358 IonicContact OD2-ND1 3.32Å; D159-M467 HydrophobicContact CB-CE 3.83Å
160	N	89.5	Confident	90.7	Very high	92 Å²	92	31.4 Å²	31.4	49%	0.492	19%	0.185	S	C	.	.	H	α-helix	trans	-60.3	-42.6	175.7	-68.1	-53.2	0	0	0	112.6	G156 L158 V162 H163 D164	G156-N160 PolarHBondContact O-ND2 3.24Å; L158-N160 VanDerWaalsContact C-N 3.31Å; L158-N160 PolarHBondContact O-N 2.98Å; N160-V162 VanDerWaalsContact C-N 3.34Å; N160-V162 PolarHBondContact O-N 3.4Å; N160-H163 PolarHBondContact O-N 2.98Å; N160-D164 PolarHBondContact O-N 2.93Å
161	V	94.4	Very high	91.2	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-64.5	-40.8	179.7	-179.2	0	0	0	0	110.8	L158 D159 D164 L165 F193 E196 A200 L210	L158-V161 WeakPolarHBondContact O-CB 3.49Å; L158-V161 PolarHBondContact O-N 2.94Å; D159-V161 VanDerWaalsContact C-N 3.34Å; D159-V161 PolarHBondContact O-N 2.7Å; V161-D164 PolarHBondContact O-N 3.5Å; V161-L165 PolarHBondContact O-N 2.74Å; V161-F193 HydrophobicContact CG1-CD2 3.77Å; V161-F193 HydrophobicContact CG1-CE2 3.75Å; V161-E196 HydrophobicContact CG1-CB 3.89Å; V161-E196 HydrophobicContact CG1-CG 3.73Å; V161-E196 HydrophobicContact CG2-CG 4.15Å; V161-A200 HydrophobicContact CG2-CB 4.11Å; V161-L210 HydrophobicContact CG1-CD1 3.82Å; V161-L210 VanDerWaalsContact O-CD1 3.32Å; V161-L210 WeakPolarHBondContact O-CD1 3.41Å
162	V	94	Very high	91.6	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-68.9	-39.8	177.9	178.1	0	0	0	0	111.6	L158 D159 N160 D164 L165 V166 F193 M467 Q471	L158-V162 WeakPolarHBondContact O-CG2 3.49Å; L158-V162 PolarHBondContact O-N 3.28Å; D159-V162 PolarHBondContact O-N 2.84Å; N160-V162 VanDerWaalsContact C-N 3.34Å; N160-V162 PolarHBondContact O-N 3.4Å; V162-D164 VanDerWaalsContact C-N 3.28Å; V162-D164 PolarHBondContact O-N 2.89Å; V162-L165 WeakPolarHBondContact O-CB 3.31Å; V162-L165 PolarHBondContact O-N 2.72Å; V162-L165 VanDerWaalsContact O-N 3.12Å; V162-V166 PolarHBondContact O-N 2.85Å; V162-F193 HydrophobicContact CG2-CE2 3.81Å; V162-F193 HydrophobicContact CG2-CZ 3.94Å; V162-M467 HydrophobicContact CG2-CB 4Å; V162-Q471 HydrophobicContact CG1-CB 3.37Å; V162-Q471 HydrophobicContact CG1-CG 3.44Å; V162-Q471 VanDerWaalsContact CG1-CG 3.44Å
163	H	93.1	Very high	92	Very high	63 Å²	63	38 Å²	38	29%	0.292	20%	0.196	S	C	.	.	H	α-helix	trans	-62.1	-37.5	173.7	-75.6	88.5	0	0	0	112	D159 N160 L165 V166 R167	D159-H163 VanDerWaalsContact CG-CE1 3.49Å; D159-H163 PolarHBondContact O-N 3.46Å; D159-H163 PolarHBondContact O-ND1 2.82Å; D159-H163 IonicContact OD1-CE1 3.81Å; D159-H163 PolarHBondContact OD1-CE1 3.34Å; D159-H163 VanDerWaalsContact OD1-CE1 3.29Å; D159-H163 IonicContact OD1-ND1 2.89Å; D159-H163 IonicContact OD2-CE1 3.34Å; D159-H163 PolarHBondContact OD2-CE1 2.7Å; D159-H163 VanDerWaalsContact OD2-CE1 3.25Å; D159-H163 IonicContact OD2-ND1 2.74Å; N160-H163 PolarHBondContact O-N 2.98Å; H163-L165 VanDerWaalsContact C-N 3.35Å; H163-V166 PolarHBondContact O-N 3.23Å; H163-R167 PolarHBondContact O-N 3.17Å; H163-R167 VanDerWaalsContact O-N 3.11Å
164	D	95.4	Very high	92.1	Very high	23 Å²	23	37.8 Å²	37.8	12%	0.123	19%	0.194	C	C	.	.	H	α-helix	trans	-66.2	-36.7	173.4	-70.2	-31.7	0	0	0	111.9	N160 V161 V162 R167 R168 R206 L210	N160-D164 PolarHBondContact O-N 2.93Å; V161-D164 PolarHBondContact O-N 3.5Å; V162-D164 VanDerWaalsContact C-N 3.28Å; V162-D164 PolarHBondContact O-N 2.89Å; D164-R167 PolarHBondContact O-N 3.33Å; D164-R167 IonicContact OD1-CZ 3.37Å; D164-R167 IonicContact OD1-NH1 3.89Å; D164-R167 PolarHBondContact OD1-NH1 3.05Å; D164-R167 IonicContact OD1-NH2 3.88Å; D164-R167 PolarHBondContact OD1-NH2 3.37Å; D164-R168 VanDerWaalsContact O-CB 3.31Å; D164-R168 WeakPolarHBondContact O-CB 3.47Å; D164-R168 PolarHBondContact O-N 2.78Å; D164-R206 IonicContact OD2-CZ 3.25Å; D164-R206 IonicContact OD2-NH1 2.86Å; D164-R206 PolarHBondContact OD2-NH1 3.33Å; D164-R206 IonicContact OD2-NH2 2.92Å; D164-R206 PolarHBondContact OD2-NH2 3.19Å; D164-L210 HydrophobicContact CB-CB 4.02Å; D164-L210 HydrophobicContact CB-CD1 3.78Å
165	L	96.6	Very high	92	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-60.3	-47.7	173.9	174.6	60.4	0	0	0	111.4	V161 V162 H163 R167 R168 L169 F190 F193 L210 L326 A468 I472	V161-L165 PolarHBondContact O-N 2.74Å; V162-L165 WeakPolarHBondContact O-CB 3.31Å; V162-L165 PolarHBondContact O-N 2.72Å; V162-L165 VanDerWaalsContact O-N 3.12Å; H163-L165 VanDerWaalsContact C-N 3.35Å; L165-R167 VanDerWaalsContact C-N 3.33Å; L165-R167 PolarHBondContact O-N 3.32Å; L165-R168 WeakPolarHBondContact O-CB 3.48Å; L165-R168 PolarHBondContact O-N 3.47Å; L165-R168 VanDerWaalsContact O-N 3.15Å; L165-L169 HydrophobicContact CD1-CD1 4.32Å; L165-L169 HydrophobicContact CD1-CG 4.13Å; L165-L169 HydrophobicContact CG-CD1 4.24Å; L165-L169 HydrophobicContact CG-CG 4.49Å; L165-L169 WeakPolarHBondContact O-CG 3.36Å; L165-L169 PolarHBondContact O-N 2.97Å; L165-F190 HydrophobicContact CD1-CD1 4.05Å; L165-F190 HydrophobicContact CD1-CE1 4.06Å; L165-F190 HydrophobicContact CD2-CD1 4.38Å; L165-F190 HydrophobicContact CD2-CE1 4.31Å; L165-F193 HydrophobicContact CB-CD2 3.83Å; L165-F193 HydrophobicContact CB-CE2 4.28Å; L165-F193 HydrophobicContact CD1-CB 4.12Å; L165-F193 HydrophobicContact CD1-CG 4.43Å; L165-F193 HydrophobicContact CD2-CB 4.33Å; L165-F193 HydrophobicContact CD2-CD1 4.13Å; L165-F193 HydrophobicContact CD2-CD2 3.67Å; L165-F193 HydrophobicContact CD2-CE1 4.38Å; L165-F193 HydrophobicContact CD2-CE2 3.94Å; L165-F193 HydrophobicContact CD2-CG 3.77Å; L165-F193 HydrophobicContact CD2-CZ 4.3Å; L165-F193 HydrophobicContact CG-CD2 4.2Å; L165-F193 HydrophobicContact CG-CG 4.46Å; L165-L210 HydrophobicContact CB-CD1 4.4Å; L165-L326 HydrophobicContact CD2-CD2 4.31Å; L165-A468 HydrophobicContact CD2-CB 4.43Å; L165-I472 HydrophobicContact CD2-CD1 3.99Å
166	V	95.9	Very high	91.5	Very high	5 Å²	5	45.9 Å²	45.9	3%	0.03	23%	0.23	C	C	.	.	H	α-helix	trans	-58.7	-46	177.1	172.6	0	0	0	0	110.6	V162 H163 R168 L169 R170 Q471 H475 F476	V162-V166 PolarHBondContact O-N 2.85Å; H163-V166 PolarHBondContact O-N 3.23Å; V166-R168 VanDerWaalsContact C-N 3.31Å; V166-R168 PolarHBondContact O-N 3.06Å; V166-L169 PolarHBondContact O-N 2.96Å; V166-R170 PolarHBondContact O-N 3.5Å; V166-R170 VanDerWaalsContact O-N 3.12Å; V166-Q471 HydrophobicContact CG2-CB 4.01Å; V166-H475 HydrophobicContact CG1-CB 4.21Å; V166-F476 HydrophobicContact CG1-CE2 3.92Å; V166-F476 HydrophobicContact CG1-CZ 4.17Å
167	R	95.6	Very high	90.8	Very high	122 Å²	122	48.5 Å²	48.5	46%	0.46	24%	0.24	S	C	.	.	H	α-helix	trans	-61.4	-39.4	176.4	-77.8	-172.7	-99.2	122.5	2	112.1	H163 D164 L165 R170 R171	H163-R167 PolarHBondContact O-N 3.17Å; H163-R167 VanDerWaalsContact O-N 3.11Å; D164-R167 PolarHBondContact O-N 3.33Å; D164-R167 IonicContact OD1-CZ 3.37Å; D164-R167 IonicContact OD1-NH1 3.89Å; D164-R167 PolarHBondContact OD1-NH1 3.05Å; D164-R167 IonicContact OD1-NH2 3.88Å; D164-R167 PolarHBondContact OD1-NH2 3.37Å; L165-R167 VanDerWaalsContact C-N 3.33Å; L165-R167 PolarHBondContact O-N 3.32Å; R167-R170 PolarHBondContact O-N 2.69Å; R167-R171 WeakPolarHBondContact O-CG 3.3Å; R167-R171 PolarHBondContact O-N 3.46Å
168	R	94.9	Very high	90.4	Very high	12 Å²	12	49.3 Å²	49.3	5%	0.045	26%	0.257	C	S	.	.	H	α-helix	trans	-65.6	-45.7	176.7	-177.1	169.5	179.1	85.9	16.6	112	D164 L165 V166 R170 R171 Q172 E189 C209 E211	D164-R168 VanDerWaalsContact O-CB 3.31Å; D164-R168 WeakPolarHBondContact O-CB 3.47Å; D164-R168 PolarHBondContact O-N 2.78Å; L165-R168 WeakPolarHBondContact O-CB 3.48Å; L165-R168 PolarHBondContact O-N 3.47Å; L165-R168 VanDerWaalsContact O-N 3.15Å; V166-R168 VanDerWaalsContact C-N 3.31Å; V166-R168 PolarHBondContact O-N 3.06Å; R168-R170 VanDerWaalsContact C-N 3.32Å; R168-R170 PolarHBondContact O-N 3.16Å; R168-R171 WeakPolarHBondContact O-CB 3.35Å; R168-R171 PolarHBondContact O-N 2.83Å; R168-Q172 HydrophobicContact CG-CG 4.28Å; R168-Q172 WeakPolarHBondContact O-CG 3.49Å; R168-Q172 PolarHBondContact O-N 3.22Å; R168-E189 IonicContact CZ-OE1 3.76Å; R168-E189 IonicContact CZ-OE2 3.45Å; R168-E189 IonicContact NE-OE1 3.72Å; R168-E189 IonicContact NE-OE2 3.53Å; R168-E189 PolarHBondContact NE-OE2 2.86Å; R168-E189 IonicContact NH2-OE1 2.6Å; R168-E189 PolarHBondContact NH2-OE1 3.3Å; R168-E189 IonicContact NH2-OE2 2.83Å; R168-E189 PolarHBondContact NH2-OE2 2.91Å; R168-C209 PolarHBondContact NH1-O 2.78Å; R168-E211 PolarHBondContact NH1-O 3.45Å
169	L	96.1	Very high	90.2	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-57.3	-45.4	176.3	-68.9	171.2	0	0	0	110.8	L165 V166 R171 Q172 R173 V183 F190 I472 F476 F505	L165-L169 HydrophobicContact CD1-CD1 4.32Å; L165-L169 HydrophobicContact CD1-CG 4.13Å; L165-L169 HydrophobicContact CG-CD1 4.24Å; L165-L169 HydrophobicContact CG-CG 4.49Å; L165-L169 WeakPolarHBondContact O-CG 3.36Å; L165-L169 PolarHBondContact O-N 2.97Å; V166-L169 PolarHBondContact O-N 2.96Å; L169-R171 VanDerWaalsContact C-N 3.26Å; L169-R171 PolarHBondContact O-N 2.63Å; L169-Q172 PolarHBondContact O-N 2.73Å; L169-Q172 VanDerWaalsContact O-N 3.16Å; L169-R173 WeakPolarHBondContact O-CG 3.39Å; L169-R173 PolarHBondContact O-N 3.05Å; L169-V183 HydrophobicContact CD2-CG1 4.49Å; L169-F190 HydrophobicContact CD1-CE1 4.48Å; L169-F190 HydrophobicContact CD2-CE1 4.2Å; L169-I472 HydrophobicContact CD1-CD1 4.08Å; L169-I472 HydrophobicContact CD1-CG1 3.98Å; L169-F476 HydrophobicContact CB-CE2 4.26Å; L169-F476 HydrophobicContact CB-CZ 4.38Å; L169-F476 HydrophobicContact CD1-CE2 4.33Å; L169-F505 HydrophobicContact CD1-CD1 4.25Å; L169-F505 HydrophobicContact CD1-CE1 3.86Å; L169-F505 HydrophobicContact CD1-CZ 4.33Å; L169-F505 HydrophobicContact CD2-CE1 4.34Å; L169-F505 HydrophobicContact CD2-CE2 4.26Å; L169-F505 HydrophobicContact CD2-CZ 4.02Å
170	R	95.1	Very high	90.2	Very high	88 Å²	88	56.3 Å²	56.3	33%	0.332	30%	0.3	S	S	.	.	H	α-helix	trans	-56.5	-38.5	174.9	-67	-163.7	176	106.9	2.9	113.3	V166 R167 R168 H475 F476 D507	V166-R170 PolarHBondContact O-N 3.5Å; V166-R170 VanDerWaalsContact O-N 3.12Å; R167-R170 PolarHBondContact O-N 2.69Å; R168-R170 VanDerWaalsContact C-N 3.32Å; R168-R170 PolarHBondContact O-N 3.16Å; R170-H475 PolarHBondContact NH2-ND1 2.75Å; R170-H475 VanDerWaalsContact NH2-ND1 3.19Å; R170-F476 HydrophobicContact CG-CE1 3.87Å; R170-F476 HydrophobicContact CG-CZ 3.53Å; R170-D507 IonicContact NE-OD1 3.54Å; R170-D507 PolarHBondContact NE-OD1 3.39Å; R170-D507 IonicContact NH2-OD1 3.68Å
171	R	93.1	Very high	90.5	Very high	124 Å²	124	54.6 Å²	54.6	47%	0.468	29%	0.29	S	S	.	.	H	α-helix	trans	-74.5	-29.1	180	-71.6	174.3	-179	177.8	-0.4	113.7	R167 R168 L169 R175	R167-R171 WeakPolarHBondContact O-CG 3.3Å; R167-R171 PolarHBondContact O-N 3.46Å; R168-R171 WeakPolarHBondContact O-CB 3.35Å; R168-R171 PolarHBondContact O-N 2.83Å; L169-R171 VanDerWaalsContact C-N 3.26Å; L169-R171 PolarHBondContact O-N 2.63Å; R171-R175 WeakPolarHBondContact O-CD 3.4Å; R171-R175 PolarHBondContact O-NE 3.05Å
172	Q	92.8	Very high	90.5	Very high	40 Å²	40	54.9 Å²	54.9	19%	0.187	29%	0.292	C	S	.	.	H	α-helix	trans	-83.3	-18.8	-178.9	-67	-62.5	-12.9	0	0	113.1	R168 L169 G174 R175 V183 E189	R168-Q172 HydrophobicContact CG-CG 4.28Å; R168-Q172 WeakPolarHBondContact O-CG 3.49Å; R168-Q172 PolarHBondContact O-N 3.22Å; L169-Q172 PolarHBondContact O-N 2.73Å; L169-Q172 VanDerWaalsContact O-N 3.16Å; Q172-G174 PolarHBondContact O-N 3.1Å; Q172-R175 PolarHBondContact O-N 3.1Å; Q172-V183 HydrophobicContact CB-CG1 4.03Å; Q172-V183 HydrophobicContact CB-CG2 4.22Å; Q172-E189 WeakPolarHBondContact CG-OE2 3.23Å
173	R	93.6	Very high	90.6	Very high	50 Å²	50	55 Å²	55	19%	0.189	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	127	173.6	-71.3	-170.7	-56.2	-172.5	2.2	110.9	L169 R175 P180 L182 V183 F505 D507	L169-R173 WeakPolarHBondContact O-CG 3.39Å; L169-R173 PolarHBondContact O-N 3.05Å; R173-R175 PolarHBondContact O-N 3.42Å; R173-P180 CarbonylContact C-O 3.41Å; R173-P180 WeakPolarHBondContact CB-O 3.32Å; R173-L182 WeakPolarHBondContact CA-O 3.43Å; R173-V183 HydrophobicContact CG-CG2 3.9Å; R173-F505 WeakPolarHBondContact CD-O 3.45Å; R173-F505 PolarHBondContact NH1-O 3.34Å; R173-D507 IonicContact CZ-OD2 3.84Å; R173-D507 VanDerWaalsContact CZ-OD2 3.3Å; R173-D507 IonicContact NH1-OD1 3.78Å; R173-D507 PolarHBondContact NH1-OD1 3.15Å; R173-D507 IonicContact NH1-OD2 2.86Å; R173-D507 PolarHBondContact NH1-OD2 3.39Å; R173-D507 IonicContact NH2-OD1 2.68Å; R173-D507 IonicContact NH2-OD2 3.69Å; R173-D507 PolarHBondContact NH2-OD2 3.47Å
174	G	87.6	Confident	90.7	Very high	38 Å²	38	55.7 Å²	55.7	39%	0.392	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.2	10.6	173.6	0	0	0	0	0	115.4	Q172 G176 P180 L182	Q172-G174 PolarHBondContact O-N 3.1Å; G174-G176 VanDerWaalsContact C-N 3.35Å; G174-P180 PolarHBondContact N-O 3.17Å; G174-P180 VanDerWaalsContact N-O 3.16Å; G174-L182 PolarHBondContact N-O 3.41Å
175	R	85.6	Confident	90.6	Very high	161 Å²	161	57.6 Å²	57.6	61%	0.608	31%	0.306	S	S	*	.	S	Bend	trans	-76.1	-22.4	173.3	-74.2	-165.9	174.2	-152.4	-6.9	113.7	R171 Q172 R173	R171-R175 WeakPolarHBondContact O-CD 3.4Å; R171-R175 PolarHBondContact O-NE 3.05Å; Q172-R175 PolarHBondContact O-N 3.1Å; R173-R175 PolarHBondContact O-N 3.42Å
176	G	75.4	Confident	90.5	Very high	29 Å²	29	57.6 Å²	57.6	30%	0.299	31%	0.306	S	S	.	.	S	Bend	trans	-90.9	176.7	175.6	0	0	0	0	0	113	G174 G178	G174-G176 VanDerWaalsContact C-N 3.35Å; G176-G178 PolarHBondContact O-N 2.96Å
177	S	71.3	Confident	90.4	Very high	106 Å²	106	57.6 Å²	57.6	74%	0.741	31%	0.307	S	S	*	.	S	Bend	trans	-69.3	116.2	164.8	49.4	0	0	0	0	109.5	Q184	S177-Q184 PolarHBondContact O-NE2 2.92Å; S177-Q184 VanDerWaalsContact O-NE2 3.12Å
178	G	78.9	Confident	90.2	Very high	61 Å²	61	52.2 Å²	52.2	63%	0.629	29%	0.289	S	S	*	.	S	Bend	trans	152.2	-154.3	177.2	0	0	0	0	0	114.4	G176	G176-G178 PolarHBondContact O-N 2.96Å
179	L	86.6	Confident	90.2	Very high	69 Å²	69	52.4 Å²	52.4	36%	0.361	29%	0.291	S	S	.	.			trans	-70	149.3	-176.7	-64.7	161.9	0	0	0	111.5	N181 L182 P482 Q504	L179-N181 PolarHBondContact O-N 3.45Å; L179-N181 VanDerWaalsContact O-N 3.11Å; L179-L182 HydrophobicContact CB-CB 4.19Å; L179-L182 VanDerWaalsContact O-CB 3.23Å; L179-L182 WeakPolarHBondContact O-CB 3.39Å; L179-L182 PolarHBondContact O-N 3.05Å; L179-P482 HydrophobicContact CD1-CG 3.64Å; L179-Q504 HydrophobicContact CD1-CG 4.42Å
180	P	89.6	Confident	90.2	Very high	100 Å²	100	52.4 Å²	52.4	65%	0.649	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-32.4	178.9	-27.6	34.3	0	0	0	114.4	R173 G174	R173-P180 CarbonylContact C-O 3.41Å; R173-P180 WeakPolarHBondContact CB-O 3.32Å; G174-P180 PolarHBondContact N-O 3.17Å; G174-P180 VanDerWaalsContact N-O 3.16Å
181	N	93.9	Very high	90.1	Very high	55 Å²	55	49.8 Å²	49.8	29%	0.294	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-0.9	-178.5	-63.8	-34.7	0	0	0	113.5	L179 Q504 F505 V506	L179-N181 PolarHBondContact O-N 3.45Å; L179-N181 VanDerWaalsContact O-N 3.11Å; N181-Q504 HydrophobicContact CB-CB 4.29Å; N181-Q504 CarbonylContact O-C 3.51Å; N181-Q504 VanDerWaalsContact O-CA 3.26Å; N181-Q504 WeakPolarHBondContact O-CA 3.4Å; N181-F505 PolarHBondContact O-N 2.78Å; N181-V506 HydrophobicContact CB-CG2 4.39Å
182	L	96	Very high	90.2	Very high	7 Å²	7	45.6 Å²	45.6	4%	0.037	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	130.6	-175.4	-169.7	69.6	0	0	0	111	R173 G174 L179 Q184 E481 N502 Q504	R173-L182 WeakPolarHBondContact CA-O 3.43Å; G174-L182 PolarHBondContact N-O 3.41Å; L179-L182 HydrophobicContact CB-CB 4.19Å; L179-L182 VanDerWaalsContact O-CB 3.23Å; L179-L182 WeakPolarHBondContact O-CB 3.39Å; L179-L182 PolarHBondContact O-N 3.05Å; L182-Q184 HydrophobicContact CD2-CG 4.17Å; L182-Q184 HydrophobicContact CG-CG 4.45Å; L182-E481 HydrophobicContact CD1-CB 4.01Å; L182-E481 HydrophobicContact CD1-CG 4.2Å; L182-N502 HydrophobicContact CD1-CB 4.12Å; L182-Q504 HydrophobicContact CD1-CG 4.06Å
183	V	96.1	Very high	90.3	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.006	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	118.4	163.9	179.1	0	0	0	0	107.3	L169 Q172 R173 V186 E189 N502 L503 F505	L169-V183 HydrophobicContact CD2-CG1 4.49Å; Q172-V183 HydrophobicContact CB-CG1 4.03Å; Q172-V183 HydrophobicContact CB-CG2 4.22Å; R173-V183 HydrophobicContact CG-CG2 3.9Å; V183-V186 HydrophobicContact CB-CG1 4.27Å; V183-V186 HydrophobicContact CG1-CG1 4.07Å; V183-E189 HydrophobicContact CG1-CG 4.42Å; V183-N502 WeakPolarHBondContact O-CA 3.01Å; V183-L503 PolarHBondContact N-O 2.87Å; V183-L503 PolarHBondContact O-N 3.38Å; V183-L503 VanDerWaalsContact O-N 3.13Å; V183-F505 HydrophobicContact CB-CD2 3.91Å; V183-F505 HydrophobicContact CB-CE2 3.84Å; V183-F505 HydrophobicContact CG2-CD2 3.57Å; V183-F505 HydrophobicContact CG2-CE2 3.95Å
184	Q	93.9	Very high	90.4	Very high	79 Å²	79	41.3 Å²	41.3	37%	0.369	25%	0.248	S	C	.	.	S	Bend	trans	-81.8	146	175.9	-67.6	180	-30.5	0	0	110.2	S177 L182 V186 N502	S177-Q184 PolarHBondContact O-NE2 2.92Å; S177-Q184 VanDerWaalsContact O-NE2 3.12Å; L182-Q184 HydrophobicContact CD2-CG 4.17Å; L182-Q184 HydrophobicContact CG-CG 4.45Å; Q184-V186 PolarHBondContact O-N 3.25Å; Q184-N502 WeakPolarHBondContact CA-OD1 3.24Å
185	D	93.6	Very high	90.7	Very high	63 Å²	63	39.5 Å²	39.5	34%	0.337	23%	0.23	S	C	.	.			trans	49.4	59	177	-166.3	44.9	0	0	0	114.3	A187 G188 E189 S500 I501 N502	D185-A187 PolarHBondContact O-N 3.46Å; D185-G188 PolarHBondContact O-N 2.97Å; D185-G188 PolarHBondContact OD2-N 3.21Å; D185-E189 PolarHBondContact O-N 2.95Å; D185-S500 WeakPolarHBondContact OD1-CB 3.38Å; D185-S500 PolarHBondContact OD1-OG 3.09Å; D185-I501 PolarHBondContact N-O 3.02Å; D185-N502 PolarHBondContact N-OD1 3.13Å
186	V	95.6	Very high	91.1	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-58.1	-26.8	-179.9	-55.3	0	0	0	0	112.4	V183 Q184 E189 F190 I501 L503 F505	V183-V186 HydrophobicContact CB-CG1 4.27Å; V183-V186 HydrophobicContact CG1-CG1 4.07Å; Q184-V186 PolarHBondContact O-N 3.25Å; V186-E189 PolarHBondContact O-N 3.09Å; V186-F190 HydrophobicContact CB-CD2 4.37Å; V186-F190 HydrophobicContact CB-CE2 3.83Å; V186-F190 HydrophobicContact CB-CZ 4.14Å; V186-F190 HydrophobicContact CG2-CD2 4.35Å; V186-F190 HydrophobicContact CG2-CE2 3.85Å; V186-F190 WeakPolarHBondContact O-CD2 3.41Å; V186-F190 WeakPolarHBondContact O-CG 3.36Å; V186-F190 PolarHBondContact O-N 2.97Å; V186-I501 HydrophobicContact CG2-CB 3.9Å; V186-I501 HydrophobicContact CG2-CG2 3.67Å; V186-I501 WeakPolarHBondContact CG2-O 3.44Å; V186-I501 PolarHBondContact N-O 3.48Å; V186-L503 HydrophobicContact CG1-CB 4.11Å; V186-L503 HydrophobicContact CG1-CD1 4.26Å; V186-L503 HydrophobicContact CG1-CG 4.24Å; V186-L503 HydrophobicContact CG2-CD1 4.06Å; V186-F505 HydrophobicContact CG1-CE2 3.9Å; V186-F505 HydrophobicContact CG1-CZ 4.24Å
187	A	92.8	Very high	92	Very high	5 Å²	5	30.4 Å²	30.4	4%	0.041	19%	0.186	C	C	.	.	H	α-helix	trans	-60.8	-43.3	174	0	0	0	0	0	112.2	D185 E189 F190 Y191 S327	D185-A187 PolarHBondContact O-N 3.46Å; A187-E189 VanDerWaalsContact C-N 3.3Å; A187-E189 PolarHBondContact O-N 3.47Å; A187-F190 PolarHBondContact O-N 3.14Å; A187-Y191 VanDerWaalsContact O-CG 3.31Å; A187-Y191 PolarHBondContact O-N 3.28Å; A187-S327 WeakPolarHBondContact CA-OG 3.16Å
188	G	92.2	Very high	93	Very high	9 Å²	9	26 Å²	26	9%	0.093	15%	0.154	C	C	.	.	H	α-helix	trans	-66	-30.9	176.4	0	0	0	0	0	113.3	D185 K192	D185-G188 PolarHBondContact O-N 2.97Å; D185-G188 PolarHBondContact OD2-N 3.21Å; G188-K192 PolarHBondContact O-NZ 2.84Å
189	E	94.6	Very high	93.6	Very high	16 Å²	16	23.1 Å²	23.1	8%	0.075	12%	0.124	C	C	.	.	H	α-helix	trans	-73.9	-38.2	172.7	-62.8	-59.3	103.5	0	0	111.5	R168 Q172 V183 D185 V186 A187 K192 F193	R168-E189 IonicContact CZ-OE1 3.76Å; R168-E189 IonicContact CZ-OE2 3.45Å; R168-E189 IonicContact NE-OE1 3.72Å; R168-E189 IonicContact NE-OE2 3.53Å; R168-E189 PolarHBondContact NE-OE2 2.86Å; R168-E189 IonicContact NH2-OE1 2.6Å; R168-E189 PolarHBondContact NH2-OE1 3.3Å; R168-E189 IonicContact NH2-OE2 2.83Å; R168-E189 PolarHBondContact NH2-OE2 2.91Å; Q172-E189 WeakPolarHBondContact CG-OE2 3.23Å; V183-E189 HydrophobicContact CG1-CG 4.42Å; D185-E189 PolarHBondContact O-N 2.95Å; V186-E189 PolarHBondContact O-N 3.09Å; A187-E189 VanDerWaalsContact C-N 3.3Å; A187-E189 PolarHBondContact O-N 3.47Å; E189-K192 WeakPolarHBondContact O-CB 3.18Å; E189-K192 PolarHBondContact O-N 2.71Å; E189-K192 IonicContact OE1-NZ 3.98Å; E189-K192 PolarHBondContact OE1-NZ 2.88Å; E189-F193 PolarHBondContact O-N 3.15Å; E189-F193 VanDerWaalsContact O-N 3.17Å
190	F	96.1	Very high	93.9	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-72.1	-30.7	175.7	-59.4	-29.8	0	0	0	112.8	L165 L169 V186 A187 K192 F193 G194 S323 L326 S327 L330 I472	L165-F190 HydrophobicContact CD1-CD1 4.05Å; L165-F190 HydrophobicContact CD1-CE1 4.06Å; L165-F190 HydrophobicContact CD2-CD1 4.38Å; L165-F190 HydrophobicContact CD2-CE1 4.31Å; L169-F190 HydrophobicContact CD1-CE1 4.48Å; L169-F190 HydrophobicContact CD2-CE1 4.2Å; V186-F190 HydrophobicContact CB-CD2 4.37Å; V186-F190 HydrophobicContact CB-CE2 3.83Å; V186-F190 HydrophobicContact CB-CZ 4.14Å; V186-F190 HydrophobicContact CG2-CD2 4.35Å; V186-F190 HydrophobicContact CG2-CE2 3.85Å; V186-F190 WeakPolarHBondContact O-CD2 3.41Å; V186-F190 WeakPolarHBondContact O-CG 3.36Å; V186-F190 PolarHBondContact O-N 2.97Å; A187-F190 PolarHBondContact O-N 3.14Å; F190-K192 VanDerWaalsContact C-N 3.26Å; F190-K192 PolarHBondContact O-N 2.85Å; F190-F193 CarbonylContact O-C 3.55Å; F190-F193 WeakPolarHBondContact O-CA 3.37Å; F190-F193 WeakPolarHBondContact O-CB 3.37Å; F190-F193 PolarHBondContact O-N 3.37Å; F190-G194 PolarHBondContact O-N 2.85Å; F190-S323 PolarHBondContact O-OG 2.75Å; F190-L326 HydrophobicContact CB-CD2 4.42Å; F190-L326 HydrophobicContact CD1-CD2 3.66Å; F190-L326 HydrophobicContact CD1-CG 4.38Å; F190-L326 HydrophobicContact CD2-CB 4.16Å; F190-L326 HydrophobicContact CD2-CD2 4.04Å; F190-L326 HydrophobicContact CD2-CG 3.9Å; F190-L326 HydrophobicContact CE1-CD2 3.89Å; F190-L326 HydrophobicContact CE1-CG 4.4Å; F190-L326 HydrophobicContact CE2-CD2 4.25Å; F190-L326 HydrophobicContact CE2-CG 3.93Å; F190-L326 HydrophobicContact CG-CB 4.48Å; F190-L326 HydrophobicContact CG-CD2 3.77Å; F190-L326 HydrophobicContact CG-CG 4.16Å; F190-L326 HydrophobicContact CZ-CD2 4.2Å; F190-L326 HydrophobicContact CZ-CG 4.2Å; F190-S327 WeakPolarHBondContact CD2-OG 3.42Å; F190-L330 HydrophobicContact CE2-CD1 3.74Å; F190-L330 HydrophobicContact CZ-CD1 3.42Å; F190-L330 VanDerWaalsContact CZ-CD1 3.42Å; F190-I472 HydrophobicContact CE1-CD1 4.43Å
191	Y	93.3	Very high	93.9	Very high	33 Å²	33	15.2 Å²	15.2	13%	0.129	8%	0.078	C	C	.	.	H	α-helix	trans	-58.1	-39	170.5	-67.6	-29	0	0	0	112.4	A187 L195 V319 S323 N324 R492	A187-Y191 VanDerWaalsContact O-CG 3.31Å; A187-Y191 PolarHBondContact O-N 3.28Å; Y191-L195 WeakPolarHBondContact O-CB 3.42Å; Y191-L195 PolarHBondContact O-N 3.49Å; Y191-V319 HydrophobicContact CD1-CG1 4.47Å; Y191-S323 WeakPolarHBondContact CA-OG 3.42Å; Y191-S323 PolarHBondContact N-OG 3.1Å; Y191-N324 PolarHBondContact OH-OD1 2.95Å; Y191-N324 VanDerWaalsContact OH-OD1 3.09Å; Y191-R492 PolarHBondContact OH-NH2 2.78Å
192	K	94.4	Very high	93.6	Very high	35 Å²	35	12.8 Å²	12.8	15%	0.152	6%	0.064	C	C	.	.	H	α-helix	trans	-65.8	-41.5	174.1	-63.9	175	-167.4	83.5	0	111.2	G188 E189 F190 E196 C209 L210 V214 I222	G188-K192 PolarHBondContact O-NZ 2.84Å; E189-K192 WeakPolarHBondContact O-CB 3.18Å; E189-K192 PolarHBondContact O-N 2.71Å; E189-K192 IonicContact OE1-NZ 3.98Å; E189-K192 PolarHBondContact OE1-NZ 2.88Å; F190-K192 VanDerWaalsContact C-N 3.26Å; F190-K192 PolarHBondContact O-N 2.85Å; K192-E196 WeakPolarHBondContact O-CB 3.5Å; K192-E196 PolarHBondContact O-N 3.33Å; K192-C209 HydrophobicContact CB-CB 3.86Å; K192-C209 WeakPolarHBondContact CD-O 3.24Å; K192-C209 WeakPolarHBondContact O-CB 3.11Å; K192-L210 HydrophobicContact CB-CD2 4.21Å; K192-V214 HydrophobicContact CD-CG2 4.02Å; K192-I222 HydrophobicContact CG-CD1 3.81Å
193	F	95.8	Very high	93.2	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-62.2	-50	174.8	168.7	-105.9	0	0	0	112.6	V161 V162 L165 E189 F190 L195 E196 G197 L210 V322 L326 E464 A468	V161-F193 HydrophobicContact CG1-CD2 3.77Å; V161-F193 HydrophobicContact CG1-CE2 3.75Å; V162-F193 HydrophobicContact CG2-CE2 3.81Å; V162-F193 HydrophobicContact CG2-CZ 3.94Å; L165-F193 HydrophobicContact CB-CD2 3.83Å; L165-F193 HydrophobicContact CB-CE2 4.28Å; L165-F193 HydrophobicContact CD1-CB 4.12Å; L165-F193 HydrophobicContact CD1-CG 4.43Å; L165-F193 HydrophobicContact CD2-CB 4.33Å; L165-F193 HydrophobicContact CD2-CD1 4.13Å; L165-F193 HydrophobicContact CD2-CD2 3.67Å; L165-F193 HydrophobicContact CD2-CE1 4.38Å; L165-F193 HydrophobicContact CD2-CE2 3.94Å; L165-F193 HydrophobicContact CD2-CG 3.77Å; L165-F193 HydrophobicContact CD2-CZ 4.3Å; L165-F193 HydrophobicContact CG-CD2 4.2Å; L165-F193 HydrophobicContact CG-CG 4.46Å; E189-F193 PolarHBondContact O-N 3.15Å; E189-F193 VanDerWaalsContact O-N 3.17Å; F190-F193 CarbonylContact O-C 3.55Å; F190-F193 WeakPolarHBondContact O-CA 3.37Å; F190-F193 WeakPolarHBondContact O-CB 3.37Å; F190-F193 PolarHBondContact O-N 3.37Å; F193-L195 VanDerWaalsContact C-N 3.29Å; F193-L195 PolarHBondContact O-N 2.98Å; F193-E196 PolarHBondContact O-N 3.08Å; F193-E196 VanDerWaalsContact O-N 3.14Å; F193-G197 PolarHBondContact O-N 2.68Å; F193-L210 HydrophobicContact CB-CD2 4.14Å; F193-L210 HydrophobicContact CD2-CD1 4.28Å; F193-V322 HydrophobicContact CE1-CG1 4.22Å; F193-L326 HydrophobicContact CD1-CD2 4.16Å; F193-L326 HydrophobicContact CE1-CD2 4.22Å; F193-E464 HydrophobicContact CE1-CG 3.79Å; F193-E464 HydrophobicContact CZ-CG 3.68Å; F193-A468 HydrophobicContact CE1-CB 3.99Å; F193-A468 HydrophobicContact CZ-CB 3.8Å
194	G	94.4	Very high	92.4	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-60.3	-38.8	179.3	0	0	0	0	0	112.1	F190 I198	F190-G194 PolarHBondContact O-N 2.85Å; G194-I198 WeakPolarHBondContact O-CG2 3.48Å; G194-I198 PolarHBondContact O-N 3.38Å
195	L	93.9	Very high	91.7	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-66	-44.7	173.7	-176.9	54.9	0	0	0	112.4	Y191 F193 G199 L207 T218 F221 I222 L315 V319	Y191-L195 WeakPolarHBondContact O-CB 3.42Å; Y191-L195 PolarHBondContact O-N 3.49Å; F193-L195 VanDerWaalsContact C-N 3.29Å; F193-L195 PolarHBondContact O-N 2.98Å; L195-G199 WeakPolarHBondContact O-CA 3.42Å; L195-G199 PolarHBondContact O-N 3.5Å; L195-L207 HydrophobicContact CD1-CD1 3.88Å; L195-L207 HydrophobicContact CG-CD1 3.8Å; L195-T218 HydrophobicContact CD2-CG2 3.59Å; L195-F221 HydrophobicContact CD1-CD1 3.79Å; L195-F221 HydrophobicContact CD1-CE1 3.67Å; L195-F221 HydrophobicContact CD2-CD1 3.8Å; L195-F221 HydrophobicContact CD2-CE1 4.5Å; L195-F221 HydrophobicContact CG-CD1 4.49Å; L195-I222 HydrophobicContact CD2-CD1 3.95Å; L195-I222 HydrophobicContact CD2-CG1 3.52Å; L195-L315 HydrophobicContact CD1-CD2 4.27Å; L195-V319 HydrophobicContact CB-CG2 3.82Å; L195-V319 HydrophobicContact CD1-CG2 3.74Å; L195-V319 HydrophobicContact CG-CG2 4.32Å
196	E	94.9	Very high	91.5	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-62.1	-43.8	177.5	-167.1	70.6	-165.9	0	0	111.5	V161 K192 F193 A200 R206 L207 G208 C209 L210	V161-E196 HydrophobicContact CG1-CB 3.89Å; V161-E196 HydrophobicContact CG1-CG 3.73Å; V161-E196 HydrophobicContact CG2-CG 4.15Å; K192-E196 WeakPolarHBondContact O-CB 3.5Å; K192-E196 PolarHBondContact O-N 3.33Å; F193-E196 PolarHBondContact O-N 3.08Å; F193-E196 VanDerWaalsContact O-N 3.14Å; E196-A200 VanDerWaalsContact O-CB 3.24Å; E196-A200 WeakPolarHBondContact O-CB 3.25Å; E196-A200 PolarHBondContact O-N 3.31Å; E196-R206 VanDerWaalsContact OE1-CA 3.25Å; E196-R206 WeakPolarHBondContact OE1-CA 3.43Å; E196-R206 WeakPolarHBondContact OE1-CB 3.33Å; E196-R206 IonicContact OE1-CZ 3.57Å; E196-R206 VanDerWaalsContact OE1-CZ 3.29Å; E196-R206 IonicContact OE1-NE 2.67Å; E196-R206 PolarHBondContact OE1-NE 3.46Å; E196-R206 IonicContact OE1-NH2 3.29Å; E196-R206 PolarHBondContact OE1-NH2 2.75Å; E196-L207 PolarHBondContact OE1-N 3.02Å; E196-L207 WeakPolarHBondContact OE2-CA 3.38Å; E196-L207 WeakPolarHBondContact OE2-CB 3.13Å; E196-L207 PolarHBondContact OE2-N 2.77Å; E196-G208 PolarHBondContact OE1-N 3.34Å; E196-G208 PolarHBondContact OE2-N 3.33Å; E196-C209 HydrophobicContact CB-CB 4.09Å; E196-C209 WeakPolarHBondContact OE2-CB 3.31Å; E196-C209 PolarHBondContact OE2-N 3.12Å; E196-C209 PolarHBondContact OE2-SG 3.18Å; E196-L210 HydrophobicContact CB-CD1 4.16Å; E196-L210 HydrophobicContact CB-CG 4.16Å; E196-L210 HydrophobicContact CG-CD1 4Å; E196-L210 HydrophobicContact CG-CG 4.16Å
197	G	93.8	Very high	91.2	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-64.3	-54.4	-179.7	0	0	0	0	0	112.3	F193 G199 A200 V201	F193-G197 PolarHBondContact O-N 2.68Å; G197-G199 VanDerWaalsContact C-N 3.32Å; G197-G199 PolarHBondContact O-N 2.9Å; G197-A200 PolarHBondContact O-N 3.43Å; G197-V201 WeakPolarHBondContact O-CG2 3.37Å; G197-V201 PolarHBondContact O-N 3.32Å; G197-V201 VanDerWaalsContact O-N 3.11Å
198	I	92.8	Very high	91.1	Very high	13 Å²	13	13.1 Å²	13.1	7%	0.067	7%	0.07	C	C	.	.	H	α-helix	trans	-66.4	-36	177.9	-166.3	60.5	0	0	0	111.7	G194 V201 L202 L315 L460	G194-I198 WeakPolarHBondContact O-CG2 3.48Å; G194-I198 PolarHBondContact O-N 3.38Å; I198-V201 PolarHBondContact O-N 3.29Å; I198-L202 HydrophobicContact CD1-CD1 4.01Å; I198-L202 HydrophobicContact CD1-CD2 4.34Å; I198-L202 HydrophobicContact CD1-CG 3.88Å; I198-L202 HydrophobicContact CG1-CD1 3.65Å; I198-L202 HydrophobicContact CG1-CG 3.94Å; I198-L202 VanDerWaalsContact O-CB 3.29Å; I198-L202 WeakPolarHBondContact O-CB 3.31Å; I198-L202 VanDerWaalsContact O-CG 3.22Å; I198-L202 WeakPolarHBondContact O-CG 3.18Å; I198-L202 PolarHBondContact O-N 2.99Å; I198-L315 HydrophobicContact CG2-CD2 3.92Å; I198-L460 HydrophobicContact CD1-CD2 3.84Å
199	G	92.4	Very high	91	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-61	-45.5	174	0	0	0	0	0	112.3	L195 G197 V201 L203	L195-G199 WeakPolarHBondContact O-CA 3.42Å; L195-G199 PolarHBondContact O-N 3.5Å; G197-G199 VanDerWaalsContact C-N 3.32Å; G197-G199 PolarHBondContact O-N 2.9Å; G199-V201 VanDerWaalsContact C-N 3.33Å; G199-V201 PolarHBondContact O-N 2.95Å; G199-L203 WeakPolarHBondContact O-CA 3.45Å; G199-L203 WeakPolarHBondContact O-CB 3.33Å; G199-L203 PolarHBondContact O-N 3.34Å
200	A	91.3	Very high	90.9	Very high	3 Å²	3	12.3 Å²	12.3	3%	0.025	6%	0.064	C	C	.	.	H	α-helix	trans	-64.1	-38	177.9	0	0	0	0	0	112.3	T157 V161 E196 G197 G204 S205	T157-A200 HydrophobicContact CG2-CB 3.55Å; V161-A200 HydrophobicContact CG2-CB 4.11Å; E196-A200 VanDerWaalsContact O-CB 3.24Å; E196-A200 WeakPolarHBondContact O-CB 3.25Å; E196-A200 PolarHBondContact O-N 3.31Å; G197-A200 PolarHBondContact O-N 3.43Å; A200-G204 WeakPolarHBondContact O-CA 3.46Å; A200-G204 PolarHBondContact O-N 3.22Å; A200-S205 VanDerWaalsContact CA-O 3.23Å; A200-S205 WeakPolarHBondContact CA-O 3.48Å; A200-S205 PolarHBondContact N-O 3.07Å
201	V	90.1	Very high	90.7	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.006	9%	0.09	C	C	.	.	H	α-helix	trans	-75.7	-42.1	178.9	170.5	0	0	0	0	112.6	Y154 L158 G197 I198 G199 H292 L293 L460	Y154-V201 HydrophobicContact CD1-CB 4.29Å; Y154-V201 HydrophobicContact CD1-CG1 3.63Å; Y154-V201 HydrophobicContact CD1-CG2 4Å; Y154-V201 HydrophobicContact CD2-CG1 4.22Å; Y154-V201 HydrophobicContact CE1-CG1 3.62Å; Y154-V201 HydrophobicContact CE2-CG1 4.24Å; Y154-V201 HydrophobicContact CG-CG1 3.95Å; Y154-V201 HydrophobicContact CG-CG2 4.15Å; L158-V201 HydrophobicContact CD2-CG2 4.09Å; L158-V201 HydrophobicContact CG-CG2 4.34Å; G197-V201 WeakPolarHBondContact O-CG2 3.37Å; G197-V201 PolarHBondContact O-N 3.32Å; G197-V201 VanDerWaalsContact O-N 3.11Å; I198-V201 PolarHBondContact O-N 3.29Å; G199-V201 VanDerWaalsContact C-N 3.33Å; G199-V201 PolarHBondContact O-N 2.95Å; V201-H292 VanDerWaalsContact O-CA 3.24Å; V201-H292 WeakPolarHBondContact O-CA 3.21Å; V201-H292 WeakPolarHBondContact O-CB 3.33Å; V201-L293 PolarHBondContact O-N 3.36Å; V201-L293 VanDerWaalsContact O-N 3.12Å; V201-L460 HydrophobicContact CB-CD2 4.31Å; V201-L460 HydrophobicContact CG1-CD1 4.32Å; V201-L460 HydrophobicContact CG1-CD2 3.81Å; V201-L460 HydrophobicContact CG2-CD1 4.03Å; V201-L460 HydrophobicContact CG2-CD2 4.44Å
202	L	88.7	Confident	90.2	Very high	3 Å²	3	19.3 Å²	19.3	2%	0.016	11%	0.109	C	C	.	.	H	α-helix	trans	-75.8	-48.7	-178.6	-67.2	-178.5	0	0	0	111.8	I198 L293 T294 L314 L315	I198-L202 HydrophobicContact CD1-CD1 4.01Å; I198-L202 HydrophobicContact CD1-CD2 4.34Å; I198-L202 HydrophobicContact CD1-CG 3.88Å; I198-L202 HydrophobicContact CG1-CD1 3.65Å; I198-L202 HydrophobicContact CG1-CG 3.94Å; I198-L202 VanDerWaalsContact O-CB 3.29Å; I198-L202 WeakPolarHBondContact O-CB 3.31Å; I198-L202 VanDerWaalsContact O-CG 3.22Å; I198-L202 WeakPolarHBondContact O-CG 3.18Å; I198-L202 PolarHBondContact O-N 2.99Å; L202-L293 HydrophobicContact CD2-CB 3.91Å; L202-L293 HydrophobicContact CD2-CD2 3.29Å; L202-L293 HydrophobicContact CD2-CG 4.24Å; L202-L293 PolarHBondContact O-N 3.47Å; L202-T294 VanDerWaalsContact O-CG2 3.3Å; L202-T294 WeakPolarHBondContact O-CG2 3.33Å; L202-T294 PolarHBondContact O-N 2.99Å; L202-T294 PolarHBondContact O-OG1 2.74Å; L202-T294 VanDerWaalsContact O-OG1 3.05Å; L202-L314 HydrophobicContact CD1-CB 3.61Å; L202-L314 HydrophobicContact CD2-CB 4.16Å; L202-L314 HydrophobicContact CD2-CD1 3.88Å; L202-L315 HydrophobicContact CD1-CD2 3.87Å; L202-L315 HydrophobicContact CD1-CG 3.88Å
203	L	85.9	Confident	89.8	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-100.3	-14.7	-168.8	-55.4	167.1	0	0	0	112.7	G199 S205 L207 H267 V268 R271 T294 V311	G199-L203 WeakPolarHBondContact O-CA 3.45Å; G199-L203 WeakPolarHBondContact O-CB 3.33Å; G199-L203 PolarHBondContact O-N 3.34Å; L203-S205 VanDerWaalsContact CB-OG 3.3Å; L203-S205 WeakPolarHBondContact CB-OG 3.3Å; L203-S205 PolarHBondContact O-N 3.36Å; L203-S205 PolarHBondContact O-OG 3.24Å; L203-L207 HydrophobicContact CD1-CD2 4.08Å; L203-H267 HydrophobicContact CD1-CB 3.68Å; L203-H267 HydrophobicContact CD2-CB 3.94Å; L203-H267 HydrophobicContact CG-CB 4.38Å; L203-V268 HydrophobicContact CD2-CG2 4.35Å; L203-R271 PolarHBondContact O-NE 2.81Å; L203-T294 HydrophobicContact CD2-CG2 4.08Å; L203-V311 HydrophobicContact CD2-CG1 3.88Å
204	G	80.3	Confident	89.5	Confident	34 Å²	34	26.7 Å²	26.7	35%	0.351	15%	0.145	S	C	.	.	S	Bend	trans	68.9	14.1	-171.6	0	0	0	0	0	113.1	A200 R271	A200-G204 WeakPolarHBondContact O-CA 3.46Å; A200-G204 PolarHBondContact O-N 3.22Å; G204-R271 PolarHBondContact O-NH2 2.91Å
205	S	79.6	Confident	89.2	Confident	10 Å²	10	29 Å²	29	7%	0.07	16%	0.16	C	C	.	.	S	Bend	trans	-113.3	147.7	-176	-14.9	0	0	0	0	112.4	A200 L203 R271	A200-S205 VanDerWaalsContact CA-O 3.23Å; A200-S205 WeakPolarHBondContact CA-O 3.48Å; A200-S205 PolarHBondContact N-O 3.07Å; L203-S205 VanDerWaalsContact CB-OG 3.3Å; L203-S205 WeakPolarHBondContact CB-OG 3.3Å; L203-S205 PolarHBondContact O-N 3.36Å; L203-S205 PolarHBondContact O-OG 3.24Å; S205-R271 PolarHBondContact OG-NE 3.26Å; S205-R271 PolarHBondContact OG-NH2 2.82Å
206	R	87.8	Confident	89	Confident	104 Å²	104	33.4 Å²	33.4	39%	0.392	19%	0.189	S	C	.	.			trans	-77.9	128.3	156.2	-55	-52.2	-54	-81.8	-16.8	108.3	D164 E196	D164-R206 IonicContact OD2-CZ 3.25Å; D164-R206 IonicContact OD2-NH1 2.86Å; D164-R206 PolarHBondContact OD2-NH1 3.33Å; D164-R206 IonicContact OD2-NH2 2.92Å; D164-R206 PolarHBondContact OD2-NH2 3.19Å; E196-R206 VanDerWaalsContact OE1-CA 3.25Å; E196-R206 WeakPolarHBondContact OE1-CA 3.43Å; E196-R206 WeakPolarHBondContact OE1-CB 3.33Å; E196-R206 IonicContact OE1-CZ 3.57Å; E196-R206 VanDerWaalsContact OE1-CZ 3.29Å; E196-R206 IonicContact OE1-NE 2.67Å; E196-R206 PolarHBondContact OE1-NE 3.46Å; E196-R206 IonicContact OE1-NH2 3.29Å; E196-R206 PolarHBondContact OE1-NH2 2.75Å
207	L	90.2	Very high	88.6	Confident	9 Å²	9	37.1 Å²	37.1	5%	0.047	21%	0.209	C	C	.	.			trans	-92.7	-6.5	179.1	-64.6	178.1	0	0	0	111.8	L195 E196 L203 C209 T218 F263 H267	L195-L207 HydrophobicContact CD1-CD1 3.88Å; L195-L207 HydrophobicContact CG-CD1 3.8Å; E196-L207 PolarHBondContact OE1-N 3.02Å; E196-L207 WeakPolarHBondContact OE2-CA 3.38Å; E196-L207 WeakPolarHBondContact OE2-CB 3.13Å; E196-L207 PolarHBondContact OE2-N 2.77Å; L203-L207 HydrophobicContact CD1-CD2 4.08Å; L207-C209 VanDerWaalsContact C-N 3.28Å; L207-C209 VanDerWaalsContact CB-SG 3.59Å; L207-C209 PolarHBondContact O-N 2.81Å; L207-T218 PolarHBondContact O-OG1 2.86Å; L207-F263 HydrophobicContact CD1-CE1 4.32Å; L207-F263 HydrophobicContact CD1-CZ 4.05Å; L207-F263 HydrophobicContact CD2-CE1 4.45Å; L207-F263 HydrophobicContact CD2-CZ 3.96Å; L207-H267 VanDerWaalsContact CD2-CE1 3.47Å; L207-H267 WeakPolarHBondContact CD2-CE1 3.46Å
208	G	90.9	Very high	88.3	Confident	5 Å²	5	37.3 Å²	37.3	5%	0.052	21%	0.21	C	C	.	.			trans	75.9	13.5	179.5	0	0	0	0	0	113.3	E196 L210 E211 P215	E196-G208 PolarHBondContact OE1-N 3.34Å; E196-G208 PolarHBondContact OE2-N 3.33Å; G208-L210 PolarHBondContact O-N 2.96Å; G208-L210 VanDerWaalsContact O-N 3.16Å; G208-E211 PolarHBondContact O-N 2.85Å; G208-P215 WeakPolarHBondContact O-CD 3.32Å
209	C	90.5	Very high	88	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-25.5	-175.6	-45.4	0	0	0	0	112.4	R168 K192 E196 L207 T218	R168-C209 PolarHBondContact NH1-O 2.78Å; K192-C209 HydrophobicContact CB-CB 3.86Å; K192-C209 WeakPolarHBondContact CD-O 3.24Å; K192-C209 WeakPolarHBondContact O-CB 3.11Å; E196-C209 HydrophobicContact CB-CB 4.09Å; E196-C209 WeakPolarHBondContact OE2-CB 3.31Å; E196-C209 PolarHBondContact OE2-N 3.12Å; E196-C209 PolarHBondContact OE2-SG 3.18Å; L207-C209 VanDerWaalsContact C-N 3.28Å; L207-C209 VanDerWaalsContact CB-SG 3.59Å; L207-C209 PolarHBondContact O-N 2.81Å; C209-T218 HydrophobicContact CB-CG2 4.21Å; C209-T218 WeakPolarHBondContact SG-CG2 3.41Å
210	L	92.8	Very high	87.9	Confident	8 Å²	8	44.5 Å²	44.5	4%	0.042	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	0.9	-175.3	-59.1	177.8	0	0	0	113.5	V161 D164 L165 K192 F193 E196 G208	V161-L210 HydrophobicContact CG1-CD1 3.82Å; V161-L210 VanDerWaalsContact O-CD1 3.32Å; V161-L210 WeakPolarHBondContact O-CD1 3.41Å; D164-L210 HydrophobicContact CB-CB 4.02Å; D164-L210 HydrophobicContact CB-CD1 3.78Å; L165-L210 HydrophobicContact CB-CD1 4.4Å; K192-L210 HydrophobicContact CB-CD2 4.21Å; F193-L210 HydrophobicContact CB-CD2 4.14Å; F193-L210 HydrophobicContact CD2-CD1 4.28Å; E196-L210 HydrophobicContact CB-CD1 4.16Å; E196-L210 HydrophobicContact CB-CG 4.16Å; E196-L210 HydrophobicContact CG-CD1 4Å; E196-L210 HydrophobicContact CG-CG 4.16Å; G208-L210 PolarHBondContact O-N 2.96Å; G208-L210 VanDerWaalsContact O-N 3.16Å
211	E	90.3	Very high	87.9	Confident	115 Å²	115	44.5 Å²	44.5	54%	0.537	25%	0.247	S	C	.	.	S	Bend	trans	-74.1	174.6	178.1	-64.8	-171.9	-164.8	0	0	112.4	R168 G208 E213	R168-E211 PolarHBondContact NH1-O 3.45Å; G208-E211 PolarHBondContact O-N 2.85Å; E211-E213 VanDerWaalsContact C-N 3.31Å; E211-E213 PolarHBondContact O-N 2.83Å
212	A	83.8	Confident	87.7	Confident	65 Å²	65	45.9 Å²	45.9	54%	0.537	25%	0.254	S	S	.	.	S	Bend	trans	-64.3	-39.2	-178.9	0	0	0	0	0	111.9
213	E	86.1	Confident	87.7	Confident	172 Å²	172	51.7 Å²	51.7	80%	0.804	28%	0.281	S	S	*	.	S	Bend	trans	-116	124.4	174.3	-66.8	-179.2	-178	0	0	108	E211	E211-E213 VanDerWaalsContact C-N 3.31Å; E211-E213 PolarHBondContact O-N 2.83Å
214	V	88.3	Confident	88	Confident	18 Å²	18	51.7 Å²	51.7	11%	0.109	28%	0.281	C	S	.	.			trans	-83.9	133.5	179.6	-177.4	0	0	0	0	108.2	K192 T218 E219	K192-V214 HydrophobicContact CD-CG2 4.02Å; V214-T218 HydrophobicContact CG1-CG2 3.96Å; V214-E219 HydrophobicContact CB-CG 3.84Å; V214-E219 HydrophobicContact CG1-CG 3.57Å
215	P	89.9	Confident	88.5	Confident	48 Å²	48	50 Å²	50	31%	0.312	26%	0.264	S	S	.	.			trans	-57.1	135.7	176.5	-27.4	35.9	0	0	0	112	G208 D217 T218 E219	G208-P215 WeakPolarHBondContact O-CD 3.32Å; P215-D217 PolarHBondContact O-N 3.21Å; P215-D217 VanDerWaalsContact O-N 3.17Å; P215-T218 WeakPolarHBondContact O-CA 3.32Å; P215-T218 VanDerWaalsContact O-CB 3.31Å; P215-T218 WeakPolarHBondContact O-CB 3.47Å; P215-T218 PolarHBondContact O-N 3.34Å; P215-E219 PolarHBondContact O-N 3.38Å; P215-E219 VanDerWaalsContact O-N 3.1Å
216	P	88.9	Confident	88.7	Confident	94 Å²	94	50.3 Å²	50.3	61%	0.61	27%	0.269	S	S	*	.	H	α-helix	trans	-56.7	-35	-177.4	-27.6	34.2	0	0	0	114.3	T218 E219 T220	P216-T218 VanDerWaalsContact C-N 3.31Å; P216-T218 PolarHBondContact O-N 3.12Å; P216-E219 PolarHBondContact O-N 3.34Å; P216-T220 WeakPolarHBondContact O-CB 3.12Å; P216-T220 PolarHBondContact O-N 2.86Å; P216-T220 PolarHBondContact O-OG1 2.77Å
217	D	86.5	Confident	88.7	Confident	78 Å²	78	46.1 Å²	46.1	42%	0.417	26%	0.255	S	S	.	.	H	α-helix	trans	-62.3	-40.2	176.5	-70	-4.7	0	0	0	111.5	P215 T220 F221 F263 K266	P215-D217 PolarHBondContact O-N 3.21Å; P215-D217 VanDerWaalsContact O-N 3.17Å; D217-T220 PolarHBondContact O-N 3.48Å; D217-F221 PolarHBondContact O-N 2.86Å; D217-F263 HydrophobicContact CB-CD2 4.4Å; D217-K266 IonicContact OD2-NZ 2.74Å; D217-K266 PolarHBondContact OD2-NZ 2.83Å
218	T	86.4	Confident	88.7	Confident	4 Å²	4	45.7 Å²	45.7	3%	0.025	25%	0.253	C	S	.	.	H	α-helix	trans	-69.6	-43.4	178.8	-59.4	0	0	0	0	110.8	L195 L207 C209 V214 P215 P216 T220 F221 I222	L195-T218 HydrophobicContact CD2-CG2 3.59Å; L207-T218 PolarHBondContact O-OG1 2.86Å; C209-T218 HydrophobicContact CB-CG2 4.21Å; C209-T218 WeakPolarHBondContact SG-CG2 3.41Å; V214-T218 HydrophobicContact CG1-CG2 3.96Å; P215-T218 WeakPolarHBondContact O-CA 3.32Å; P215-T218 VanDerWaalsContact O-CB 3.31Å; P215-T218 WeakPolarHBondContact O-CB 3.47Å; P215-T218 PolarHBondContact O-N 3.34Å; P216-T218 VanDerWaalsContact C-N 3.31Å; P216-T218 PolarHBondContact O-N 3.12Å; T218-T220 VanDerWaalsContact C-N 3.32Å; T218-T220 PolarHBondContact O-N 2.82Å; T218-F221 WeakPolarHBondContact O-CB 3.24Å; T218-F221 PolarHBondContact O-N 3.21Å; T218-I222 HydrophobicContact CG2-CD1 4.33Å; T218-I222 WeakPolarHBondContact O-CG1 3.3Å; T218-I222 PolarHBondContact O-N 2.99Å
219	E	87.3	Confident	88.5	Confident	105 Å²	105	46.1 Å²	46.1	49%	0.491	25%	0.254	S	S	.	.	H	α-helix	trans	-60.9	-43	174.5	-65.8	-165.7	149.9	0	0	111.7	V214 P215 P216 F221 I222 H223	V214-E219 HydrophobicContact CB-CG 3.84Å; V214-E219 HydrophobicContact CG1-CG 3.57Å; P215-E219 PolarHBondContact O-N 3.38Å; P215-E219 VanDerWaalsContact O-N 3.1Å; P216-E219 PolarHBondContact O-N 3.34Å; E219-F221 VanDerWaalsContact C-N 3.28Å; E219-F221 PolarHBondContact O-N 3.24Å; E219-I222 PolarHBondContact O-N 2.72Å; E219-H223 WeakPolarHBondContact O-CB 3.47Å; E219-H223 PolarHBondContact O-N 2.69Å
220	T	90.3	Very high	88.3	Confident	59 Å²	59	49 Å²	49	36%	0.362	27%	0.271	S	S	.	.	H	α-helix	trans	-59.1	-41.6	175.5	-58.7	0	0	0	0	110.9	P216 D217 T218 A224 Q259	P216-T220 WeakPolarHBondContact O-CB 3.12Å; P216-T220 PolarHBondContact O-N 2.86Å; P216-T220 PolarHBondContact O-OG1 2.77Å; D217-T220 PolarHBondContact O-N 3.48Å; T218-T220 VanDerWaalsContact C-N 3.32Å; T218-T220 PolarHBondContact O-N 2.82Å; T220-A224 WeakPolarHBondContact O-CB 3.23Å; T220-A224 PolarHBondContact O-N 3.2Å; T220-Q259 HydrophobicContact CG2-CB 4.42Å; T220-Q259 HydrophobicContact CG2-CG 4.18Å
221	F	90.7	Very high	88	Confident	2 Å²	2	48.7 Å²	48.7	1%	0.009	27%	0.27	C	S	.	.	H	α-helix	trans	-63.3	-48.2	175.8	-173.7	-88.4	0	0	0	112.4	L195 D217 T218 E219 H223 A224 V225 M260 F263 L315 V319	L195-F221 HydrophobicContact CD1-CD1 3.79Å; L195-F221 HydrophobicContact CD1-CE1 3.67Å; L195-F221 HydrophobicContact CD2-CD1 3.8Å; L195-F221 HydrophobicContact CD2-CE1 4.5Å; L195-F221 HydrophobicContact CG-CD1 4.49Å; D217-F221 PolarHBondContact O-N 2.86Å; T218-F221 WeakPolarHBondContact O-CB 3.24Å; T218-F221 PolarHBondContact O-N 3.21Å; E219-F221 VanDerWaalsContact C-N 3.28Å; E219-F221 PolarHBondContact O-N 3.24Å; F221-H223 VanDerWaalsContact C-N 3.31Å; F221-H223 PolarHBondContact O-N 3.09Å; F221-A224 WeakPolarHBondContact O-CB 3.41Å; F221-A224 PolarHBondContact O-N 2.59Å; F221-V225 HydrophobicContact CD1-CG2 3.94Å; F221-V225 HydrophobicContact CE1-CG2 3.52Å; F221-V225 HydrophobicContact CZ-CG2 3.99Å; F221-V225 WeakPolarHBondContact O-CG2 3.47Å; F221-V225 PolarHBondContact O-N 3.46Å; F221-M260 HydrophobicContact CD2-CB 4.17Å; F221-M260 HydrophobicContact CD2-CG 3.94Å; F221-M260 HydrophobicContact CE2-CB 3.7Å; F221-M260 HydrophobicContact CE2-CG 3.66Å; F221-M260 HydrophobicContact CE2-SD 4.47Å; F221-M260 HydrophobicContact CZ-CG 4.24Å; F221-F263 HydrophobicContact CB-CD1 4.47Å; F221-F263 HydrophobicContact CB-CD2 4.02Å; F221-F263 HydrophobicContact CB-CE2 4.28Å; F221-F263 HydrophobicContact CB-CG 4.13Å; F221-F263 HydrophobicContact CD2-CB 3.63Å; F221-F263 AromaticContact CD2-CD1 3.45Å; F221-F263 HydrophobicContact CD2-CD1 3.45Å; F221-F263 VanDerWaalsContact CD2-CD1 3.45Å; F221-F263 HydrophobicContact CD2-CD2 4.28Å; F221-F263 HydrophobicContact CD2-CE1 4.17Å; F221-F263 AromaticContact CD2-CG 3.52Å; F221-F263 HydrophobicContact CD2-CG 3.52Å; F221-F263 HydrophobicContact CE2-CB 4.28Å; F221-F263 AromaticContact CE2-CD1 3.78Å; F221-F263 HydrophobicContact CE2-CD1 3.78Å; F221-F263 HydrophobicContact CE2-CE1 4.49Å; F221-F263 HydrophobicContact CE2-CG 4.24Å; F221-F263 AromaticContact CG-CD1 3.98Å; F221-F263 HydrophobicContact CG-CD1 3.98Å; F221-F263 HydrophobicContact CG-CD2 4.4Å; F221-F263 HydrophobicContact CG-CE1 4.28Å; F221-F263 HydrophobicContact CG-CG 4.04Å; F221-L315 HydrophobicContact CE1-CB 4.25Å; F221-L315 HydrophobicContact CE2-CD1 4.42Å; F221-L315 HydrophobicContact CZ-CB 3.69Å; F221-L315 HydrophobicContact CZ-CD1 4.19Å; F221-V319 HydrophobicContact CE1-CG2 4.29Å
222	I	87.4	Confident	87.8	Confident	31 Å²	31	43.3 Å²	43.3	16%	0.159	24%	0.244	C	C	.	.	H	α-helix	trans	-59.3	-44.6	178.6	-66.3	170.6	0	0	0	110.5	K192 L195 T218 E219 A224 V225 G226	K192-I222 HydrophobicContact CG-CD1 3.81Å; L195-I222 HydrophobicContact CD2-CD1 3.95Å; L195-I222 HydrophobicContact CD2-CG1 3.52Å; T218-I222 HydrophobicContact CG2-CD1 4.33Å; T218-I222 WeakPolarHBondContact O-CG1 3.3Å; T218-I222 PolarHBondContact O-N 2.99Å; E219-I222 PolarHBondContact O-N 2.72Å; I222-A224 PolarHBondContact O-N 3.07Å; I222-V225 PolarHBondContact O-N 2.77Å; I222-G226 PolarHBondContact O-N 2.84Å
223	H	88.4	Confident	87.7	Confident	124 Å²	124	41.8 Å²	41.8	57%	0.574	23%	0.227	S	C	*	.	H	α-helix	trans	-63.7	-41.5	177	-178.2	-85	0	0	0	111.9	E219 F221 V225 G226 S227	E219-H223 WeakPolarHBondContact O-CB 3.47Å; E219-H223 PolarHBondContact O-N 2.69Å; F221-H223 VanDerWaalsContact C-N 3.31Å; F221-H223 PolarHBondContact O-N 3.09Å; H223-V225 PolarHBondContact O-N 2.68Å; H223-G226 PolarHBondContact O-N 3.14Å; H223-S227 WeakPolarHBondContact O-CB 3.36Å; H223-S227 PolarHBondContact O-N 2.84Å
224	A	92.1	Very high	87.4	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-61.1	-42.2	175.6	0	0	0	0	0	111.9	T220 F221 I222 S227 V228 D256 Q259 M260	T220-A224 WeakPolarHBondContact O-CB 3.23Å; T220-A224 PolarHBondContact O-N 3.2Å; F221-A224 WeakPolarHBondContact O-CB 3.41Å; F221-A224 PolarHBondContact O-N 2.59Å; I222-A224 PolarHBondContact O-N 3.07Å; A224-S227 PolarHBondContact O-N 3.07Å; A224-V228 WeakPolarHBondContact O-CB 3.34Å; A224-V228 PolarHBondContact O-N 2.86Å; A224-D256 HydrophobicContact CB-CB 4.09Å; A224-Q259 HydrophobicContact CB-CB 4.29Å; A224-M260 HydrophobicContact CB-CG 3.92Å
225	V	89.4	Confident	87.2	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-60.6	-47.4	174.7	167.6	0	0	0	0	111.4	F221 I222 H223 S227 V228 F229 M260 L316 V319	F221-V225 HydrophobicContact CD1-CG2 3.94Å; F221-V225 HydrophobicContact CE1-CG2 3.52Å; F221-V225 HydrophobicContact CZ-CG2 3.99Å; F221-V225 WeakPolarHBondContact O-CG2 3.47Å; F221-V225 PolarHBondContact O-N 3.46Å; I222-V225 PolarHBondContact O-N 2.77Å; H223-V225 PolarHBondContact O-N 2.68Å; V225-S227 VanDerWaalsContact C-N 3.31Å; V225-S227 PolarHBondContact O-N 3.34Å; V225-V228 WeakPolarHBondContact O-CG1 3.43Å; V225-F229 HydrophobicContact CG1-CD2 4.44Å; V225-F229 HydrophobicContact CG1-CE2 3.98Å; V225-F229 VanDerWaalsContact O-CD2 3.24Å; V225-F229 WeakPolarHBondContact O-CD2 2.94Å; V225-M260 HydrophobicContact CG2-SD 3.77Å; V225-L316 HydrophobicContact CB-CD1 4.13Å; V225-L316 HydrophobicContact CG1-CD1 3.74Å; V225-L316 HydrophobicContact CG2-CD1 3.84Å; V225-V319 HydrophobicContact CG1-CB 4.38Å; V225-V319 HydrophobicContact CG1-CG1 4.36Å
226	G	85.2	Confident	86.6	Confident	16 Å²	16	36 Å²	36	17%	0.165	20%	0.197	C	C	.	.	H	α-helix	trans	-62.3	-38.4	178.4	0	0	0	0	0	113.2	I222 H223	I222-G226 PolarHBondContact O-N 2.84Å; H223-G226 PolarHBondContact O-N 3.14Å
227	S	87.9	Confident	86	Confident	16 Å²	16	32.7 Å²	32.7	11%	0.112	18%	0.178	C	C	.	.	H	α-helix	trans	-79.6	-33.5	-177.9	174.6	0	0	0	0	113.5	H223 A224 V225 F229 V230 S231 R252 D256	H223-S227 WeakPolarHBondContact O-CB 3.36Å; H223-S227 PolarHBondContact O-N 2.84Å; A224-S227 PolarHBondContact O-N 3.07Å; V225-S227 VanDerWaalsContact C-N 3.31Å; V225-S227 PolarHBondContact O-N 3.34Å; S227-F229 VanDerWaalsContact C-N 3.31Å; S227-F229 PolarHBondContact O-N 3.33Å; S227-V230 PolarHBondContact O-N 3Å; S227-S231 PolarHBondContact O-N 2.93Å; S227-S231 PolarHBondContact O-OG 2.94Å; S227-R252 WeakPolarHBondContact OG-CD 3.43Å; S227-D256 WeakPolarHBondContact CB-OD2 3.47Å; S227-D256 PolarHBondContact OG-OD2 3.41Å
228	V	90.3	Very high	85.5	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-64.8	-37.1	-176.5	81	0	0	0	0	111.2	A224 V225 S231 T232 L253 D256 W257 M260 L316	A224-V228 WeakPolarHBondContact O-CB 3.34Å; A224-V228 PolarHBondContact O-N 2.86Å; V225-V228 WeakPolarHBondContact O-CG1 3.43Å; V228-S231 PolarHBondContact O-N 3.49Å; V228-T232 VanDerWaalsContact O-CB 3.26Å; V228-T232 WeakPolarHBondContact O-CB 3.48Å; V228-T232 PolarHBondContact O-N 3.32Å; V228-T232 PolarHBondContact O-OG1 3.38Å; V228-L253 HydrophobicContact CG2-CD1 3.72Å; V228-D256 HydrophobicContact CB-CB 4.15Å; V228-D256 HydrophobicContact CG2-CB 4.38Å; V228-W257 HydrophobicContact CG2-CD2 4.4Å; V228-W257 HydrophobicContact CG2-CG 4.36Å; V228-W257 HydrophobicContact CG2-CZ2 4.45Å; V228-M260 HydrophobicContact CB-CE 3.93Å; V228-M260 HydrophobicContact CG1-CE 3.85Å; V228-M260 HydrophobicContact CG1-SD 4.47Å; V228-M260 HydrophobicContact CG2-CE 3.83Å; V228-L316 HydrophobicContact CG1-CD1 3.8Å
229	F	86.9	Confident	85	Confident	14 Å²	14	32.5 Å²	32.5	6%	0.061	18%	0.179	C	C	.	.	H	α-helix	trans	-65.6	-40.9	179.8	-76.6	-56.8	0	0	0	112.6	V225 S227 T232 L233 L316 D320 R492 T493	V225-F229 HydrophobicContact CG1-CD2 4.44Å; V225-F229 HydrophobicContact CG1-CE2 3.98Å; V225-F229 VanDerWaalsContact O-CD2 3.24Å; V225-F229 WeakPolarHBondContact O-CD2 2.94Å; S227-F229 VanDerWaalsContact C-N 3.31Å; S227-F229 PolarHBondContact O-N 3.33Å; F229-T232 PolarHBondContact O-N 3.04Å; F229-L233 PolarHBondContact O-N 3.4Å; F229-L233 VanDerWaalsContact O-N 3.17Å; F229-L316 HydrophobicContact CE1-CD1 4.49Å; F229-L316 HydrophobicContact CE2-CD1 3.86Å; F229-L316 HydrophobicContact CZ-CD1 3.78Å; F229-L316 HydrophobicContact CZ-CG 4.11Å; F229-D320 HydrophobicContact CE2-CB 4.18Å; F229-R492 CarbonylContact C-O 3.46Å; F229-R492 VanDerWaalsContact CB-O 3.26Å; F229-R492 WeakPolarHBondContact CB-O 3.39Å; F229-T493 HydrophobicContact CD1-CG2 3.79Å; F229-T493 HydrophobicContact CE1-CG2 4.33Å; F229-T493 PolarHBondContact O-OG1 3.37Å
230	V	85	Confident	84.5	Confident	61 Å²	61	33 Å²	33	37%	0.37	19%	0.185	S	C	.	.	H	α-helix	trans	-66	-46.6	174.6	178.5	0	0	0	0	110.5	S227 T232 L233 L234 R492	S227-V230 PolarHBondContact O-N 3Å; V230-T232 VanDerWaalsContact C-N 3.27Å; V230-T232 PolarHBondContact O-N 3.5Å; V230-L233 PolarHBondContact O-N 3.18Å; V230-L234 HydrophobicContact CG1-CD1 4.22Å; V230-L234 PolarHBondContact O-N 3.17Å; V230-L234 VanDerWaalsContact O-N 3.15Å; V230-R492 HydrophobicContact CG2-CB 4.14Å
231	S	87.3	Confident	83.9	Confident	1 Å²	1	37.8 Å²	37.8	1%	0.007	20%	0.196	C	C	.	.	H	α-helix	trans	-63.2	-36.2	179.7	-54.6	0	0	0	0	111.6	S227 V228 L234 T235 R252	S227-S231 PolarHBondContact O-N 2.93Å; S227-S231 PolarHBondContact O-OG 2.94Å; V228-S231 PolarHBondContact O-N 3.49Å; S231-L234 PolarHBondContact O-N 3.45Å; S231-T235 VanDerWaalsContact O-CG2 3.29Å; S231-T235 WeakPolarHBondContact O-CG2 3.29Å; S231-T235 PolarHBondContact O-N 2.63Å; S231-T235 PolarHBondContact O-OG1 3.4Å; S231-T235 VanDerWaalsContact O-OG1 3.12Å; S231-R252 VanDerWaalsContact OG-CD 3.26Å; S231-R252 WeakPolarHBondContact OG-CD 3.42Å; S231-R252 WeakPolarHBondContact OG-CG 3.37Å
232	T	85.9	Confident	83.4	Confident	1 Å²	1	40.1 Å²	40.1	1%	0.006	21%	0.208	C	C	.	.	H	α-helix	trans	-62.9	-48.2	176.5	-61.3	0	0	0	0	111.6	F110 W113 V228 F229 V230 L234 T235 M236 L253	F110-T232 HydrophobicContact CD1-CG2 4.31Å; W113-T232 HydrophobicContact CZ2-CG2 4.01Å; W113-T232 VanDerWaalsContact NE1-CG2 3.26Å; W113-T232 PolarHBondContact NE1-OG1 2.93Å; V228-T232 VanDerWaalsContact O-CB 3.26Å; V228-T232 WeakPolarHBondContact O-CB 3.48Å; V228-T232 PolarHBondContact O-N 3.32Å; V228-T232 PolarHBondContact O-OG1 3.38Å; F229-T232 PolarHBondContact O-N 3.04Å; V230-T232 VanDerWaalsContact C-N 3.27Å; V230-T232 PolarHBondContact O-N 3.5Å; T232-L234 VanDerWaalsContact C-N 3.29Å; T232-L234 PolarHBondContact O-N 2.96Å; T232-T235 PolarHBondContact O-N 3.34Å; T232-T235 PolarHBondContact O-OG1 3.26Å; T232-M236 HydrophobicContact CG2-CG 4.18Å; T232-M236 HydrophobicContact CG2-SD 3.72Å; T232-M236 VanDerWaalsContact O-CB 3.31Å; T232-M236 WeakPolarHBondContact O-CB 3.29Å; T232-M236 VanDerWaalsContact O-CG 3.26Å; T232-M236 WeakPolarHBondContact O-CG 3.4Å; T232-M236 PolarHBondContact O-N 2.98Å; T232-L253 WeakPolarHBondContact OG1-CD1 3.18Å
233	L	80.6	Confident	83	Confident	34 Å²	34	39.3 Å²	39.3	18%	0.178	20%	0.203	C	C	.	.	H	α-helix	trans	-59.7	-43.3	179	-174.1	60.1	0	0	0	111.1	M58 L61 F229 V230 A237	M58-L233 HydrophobicContact CB-CD2 3.67Å; M58-L233 HydrophobicContact CB-CG 4.22Å; M58-L233 HydrophobicContact CE-CD2 4.1Å; M58-L233 HydrophobicContact CE-CG 3.9Å; M58-L233 HydrophobicContact SD-CD1 4.41Å; M58-L233 HydrophobicContact SD-CD2 4.24Å; M58-L233 HydrophobicContact SD-CG 3.78Å; L61-L233 HydrophobicContact CD1-CD1 4Å; L61-L233 HydrophobicContact CD1-CD2 4.48Å; F229-L233 PolarHBondContact O-N 3.4Å; F229-L233 VanDerWaalsContact O-N 3.17Å; V230-L233 PolarHBondContact O-N 3.18Å; L233-A237 WeakPolarHBondContact O-CB 3.19Å; L233-A237 PolarHBondContact O-N 3.03Å
234	L	81.3	Confident	82.5	Confident	61 Å²	61	44 Å²	44	32%	0.319	22%	0.216	S	C	.	.	H	α-helix	trans	-63.5	-51.6	174.6	-70.7	166.4	0	0	0	111.6	M58 V230 S231 T232 M236 A237 M238 P249	M58-L234 HydrophobicContact CE-CD2 3.34Å; M58-L234 HydrophobicContact CE-CG 3.84Å; V230-L234 HydrophobicContact CG1-CD1 4.22Å; V230-L234 PolarHBondContact O-N 3.17Å; V230-L234 VanDerWaalsContact O-N 3.15Å; S231-L234 PolarHBondContact O-N 3.45Å; T232-L234 VanDerWaalsContact C-N 3.29Å; T232-L234 PolarHBondContact O-N 2.96Å; L234-M236 VanDerWaalsContact C-N 3.34Å; L234-M236 PolarHBondContact O-N 3.48Å; L234-A237 PolarHBondContact O-N 3.46Å; L234-M238 VanDerWaalsContact O-CG 3.27Å; L234-M238 WeakPolarHBondContact O-CG 3.26Å; L234-M238 PolarHBondContact O-N 2.83Å; L234-P249 HydrophobicContact CB-CB 4.12Å; L234-P249 HydrophobicContact CD1-CB 4.38Å; L234-P249 HydrophobicContact CD1-CG 4.46Å
235	T	83.8	Confident	82	Confident	2 Å²	2	50 Å²	50	1%	0.012	25%	0.247	C	C	.	.	H	α-helix	trans	-69	-30.8	-175.2	59.2	0	0	0	0	113.2	S112 S231 T232 A237 M238 H243 P249 W250 L253	S112-T235 WeakPolarHBondContact CB-OG1 3.42Å; S112-T235 WeakPolarHBondContact OG-CB 3.43Å; S112-T235 PolarHBondContact OG-OG1 3.2Å; S231-T235 VanDerWaalsContact O-CG2 3.29Å; S231-T235 WeakPolarHBondContact O-CG2 3.29Å; S231-T235 PolarHBondContact O-N 2.63Å; S231-T235 PolarHBondContact O-OG1 3.4Å; S231-T235 VanDerWaalsContact O-OG1 3.12Å; T232-T235 PolarHBondContact O-N 3.34Å; T232-T235 PolarHBondContact O-OG1 3.26Å; T235-A237 VanDerWaalsContact C-N 3.34Å; T235-M238 HydrophobicContact CG2-CE 4.13Å; T235-M238 PolarHBondContact O-N 2.86Å; T235-M238 VanDerWaalsContact O-O 3.05Å; T235-H243 PolarHBondContact O-NE2 2.92Å; T235-H243 VanDerWaalsContact O-NE2 3.1Å; T235-P249 HydrophobicContact CG2-CB 4.08Å; T235-W250 HydrophobicContact CG2-CB 4.4Å; T235-W250 HydrophobicContact CG2-CE3 4.18Å; T235-L253 HydrophobicContact CG2-CB 4.47Å; T235-L253 HydrophobicContact CG2-CD2 4.28Å
236	M	77.9	Confident	81.8	Confident	54 Å²	54	53.4 Å²	53.4	27%	0.266	27%	0.268	S	S	.	.	H	α-helix	trans	-68.7	-33.1	173.1	-73.9	-176.8	70	0	0	112.3	F110 T232 L234 M238	F110-M236 HydrophobicContact CD1-SD 3.98Å; F110-M236 HydrophobicContact CE1-SD 4.48Å; T232-M236 HydrophobicContact CG2-CG 4.18Å; T232-M236 HydrophobicContact CG2-SD 3.72Å; T232-M236 VanDerWaalsContact O-CB 3.31Å; T232-M236 WeakPolarHBondContact O-CB 3.29Å; T232-M236 VanDerWaalsContact O-CG 3.26Å; T232-M236 WeakPolarHBondContact O-CG 3.4Å; T232-M236 PolarHBondContact O-N 2.98Å; L234-M236 VanDerWaalsContact C-N 3.34Å; L234-M236 PolarHBondContact O-N 3.48Å; M236-M238 PolarHBondContact O-N 3.48Å
237	A	74.5	Confident	81.8	Confident	24 Å²	24	56.4 Å²	56.4	20%	0.198	29%	0.285	C	S	.	.	H	α-helix	trans	-74.5	-15.8	174.3	0	0	0	0	0	112.8	M58 F80 L233 L234 T235	M58-A237 HydrophobicContact SD-CB 4.37Å; F80-A237 HydrophobicContact CE1-CB 3.74Å; F80-A237 WeakPolarHBondContact CE1-O 3.41Å; F80-A237 HydrophobicContact CZ-CB 3.93Å; F80-A237 WeakPolarHBondContact CZ-O 3.37Å; L233-A237 WeakPolarHBondContact O-CB 3.19Å; L233-A237 PolarHBondContact O-N 3.03Å; L234-A237 PolarHBondContact O-N 3.46Å; T235-A237 VanDerWaalsContact C-N 3.34Å
238	M	76.5	Confident	81.8	Confident	26 Å²	26	57.7 Å²	57.7	13%	0.128	30%	0.3	C	S	.	.	S	Bend	trans	-98.5	128.2	-178	-66.6	-164.3	-71.9	0	0	111.6	L234 T235 M236 M242 H243 P249	L234-M238 VanDerWaalsContact O-CG 3.27Å; L234-M238 WeakPolarHBondContact O-CG 3.26Å; L234-M238 PolarHBondContact O-N 2.83Å; T235-M238 HydrophobicContact CG2-CE 4.13Å; T235-M238 PolarHBondContact O-N 2.86Å; T235-M238 VanDerWaalsContact O-O 3.05Å; M236-M238 PolarHBondContact O-N 3.48Å; M238-M242 HydrophobicContact CB-CB 4.44Å; M238-M242 HydrophobicContact CB-CE 3.52Å; M238-M242 HydrophobicContact CG-CE 3.24Å; M238-M242 HydrophobicContact SD-CE 3.75Å; M238-M242 HydrophobicContact SD-CG 4.4Å; M238-H243 PolarHBondContact O-NE2 2.99Å; M238-P249 HydrophobicContact CE-CB 3.68Å; M238-P249 HydrophobicContact CE-CG 3.79Å
239	P	76.6	Confident	81.7	Confident	51 Å²	51	58.9 Å²	58.9	33%	0.331	31%	0.308	S	S	.	.			trans	-56.5	146.3	167.5	-24.7	34.8	0	0	0	111.7	W241 M242	P239-W241 HydrophobicContact CB-CG 4.46Å; P239-W241 HydrophobicContact CB-CZ2 4.5Å; P239-W241 HydrophobicContact CG-CZ2 4.47Å; P239-W241 PolarHBondContact O-N 2.56Å; P239-M242 WeakPolarHBondContact O-CA 3.33Å; P239-M242 VanDerWaalsContact O-CB 3.25Å; P239-M242 WeakPolarHBondContact O-CB 3.49Å; P239-M242 PolarHBondContact O-N 3.42Å
240	N	75.4	Confident	81.9	Confident	116 Å²	116	59.2 Å²	59.2	62%	0.62	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-33.7	-173.5	-67.6	-14.3	0	0	0	114.6	M242 H243	N240-M242 PolarHBondContact O-N 3.17Å; N240-H243 PolarHBondContact O-N 3.28Å
241	W	78.6	Confident	82.1	Confident	160 Å²	160	58.9 Å²	58.9	61%	0.606	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-29.5	177.3	60.5	-99.1	0	0	0	112.2	P239 H243 R244 L245	P239-W241 HydrophobicContact CB-CG 4.46Å; P239-W241 HydrophobicContact CB-CZ2 4.5Å; P239-W241 HydrophobicContact CG-CZ2 4.47Å; P239-W241 PolarHBondContact O-N 2.56Å; W241-H243 VanDerWaalsContact C-N 3.29Å; W241-H243 PolarHBondContact O-N 2.94Å; W241-R244 WeakPolarHBondContact O-CB 3.37Å; W241-R244 PolarHBondContact O-N 3.26Å; W241-L245 HydrophobicContact CE3-CD1 3.76Å; W241-L245 HydrophobicContact CZ3-CD1 3.53Å
242	M	79.6	Confident	82.4	Confident	51 Å²	51	64.6 Å²	64.6	25%	0.251	33%	0.334	S	S	.	.	H	α-helix	trans	-73.1	-22.4	-178.7	-164.5	155.7	74.6	0	0	112.3	M238 P239 N240 R244 L245 V246	M238-M242 HydrophobicContact CB-CB 4.44Å; M238-M242 HydrophobicContact CB-CE 3.52Å; M238-M242 HydrophobicContact CG-CE 3.24Å; M238-M242 HydrophobicContact SD-CE 3.75Å; M238-M242 HydrophobicContact SD-CG 4.4Å; P239-M242 WeakPolarHBondContact O-CA 3.33Å; P239-M242 VanDerWaalsContact O-CB 3.25Å; P239-M242 WeakPolarHBondContact O-CB 3.49Å; P239-M242 PolarHBondContact O-N 3.42Å; N240-M242 PolarHBondContact O-N 3.17Å; M242-R244 PolarHBondContact O-N 3.45Å; M242-L245 PolarHBondContact O-N 3.03Å; M242-L245 VanDerWaalsContact O-N 3.08Å; M242-V246 HydrophobicContact CG-CG2 4.39Å; M242-V246 PolarHBondContact O-N 2.71Å
243	H	79.1	Confident	82.7	Confident	13 Å²	13	64.5 Å²	64.5	6%	0.06	33%	0.334	C	S	.	.	H	α-helix	trans	-62.1	-22.8	171.9	-58.4	169.5	0	0	0	112.3	T235 M238 N240 W241 P247 W250	T235-H243 PolarHBondContact O-NE2 2.92Å; T235-H243 VanDerWaalsContact O-NE2 3.1Å; M238-H243 PolarHBondContact O-NE2 2.99Å; N240-H243 PolarHBondContact O-N 3.28Å; W241-H243 VanDerWaalsContact C-N 3.29Å; W241-H243 PolarHBondContact O-N 2.94Å; H243-P247 WeakPolarHBondContact O-CA 3.45Å; H243-W250 HydrophobicContact CB-CB 4.12Å; H243-W250 HydrophobicContact CB-CG 4.21Å; H243-W250 AromaticContact CE1-CE3 3.93Å; H243-W250 AromaticContact ND1-CD2 4Å; H243-W250 AromaticContact ND1-CE3 3.61Å
244	R	79.6	Confident	83.2	Confident	223 Å²	223	63.7 Å²	63.7	84%	0.842	33%	0.33	S	S	*	.	H	α-helix	trans	-79.1	-32.7	174.2	-63.3	-176.1	178.8	-178.9	-0.8	112.6	W241 M242	W241-R244 WeakPolarHBondContact O-CB 3.37Å; W241-R244 PolarHBondContact O-N 3.26Å; M242-R244 PolarHBondContact O-N 3.45Å
245	L	81.6	Confident	83.9	Confident	126 Å²	126	66 Å²	66	66%	0.66	34%	0.335	S	S	*	.	H	α-helix	trans	-86.3	-34	-177.8	-60.4	178.2	0	0	0	112.3	W241 M242 P247	W241-L245 HydrophobicContact CE3-CD1 3.76Å; W241-L245 HydrophobicContact CZ3-CD1 3.53Å; M242-L245 PolarHBondContact O-N 3.03Å; M242-L245 VanDerWaalsContact O-N 3.08Å; L245-P247 VanDerWaalsContact C-CD 3.49Å; L245-P247 WeakPolarHBondContact O-CD 3.39Å
246	V	84.5	Confident	84.4	Confident	71 Å²	71	66 Å²	66	43%	0.43	33%	0.334	S	S	.	.	S	Bend	trans	-120.7	77.1	176.9	-169.9	0	0	0	0	108.2	M242 G248	M242-V246 HydrophobicContact CG-CG2 4.39Å; M242-V246 PolarHBondContact O-N 2.71Å; V246-G248 PolarHBondContact O-N 2.83Å
247	P	85.3	Confident	85.2	Confident	80 Å²	80	63.4 Å²	63.4	52%	0.519	32%	0.322	S	S	.	.	H	α-helix	trans	-71.2	-16.7	-171.9	27.8	-35.3	0	0	0	113.5	H243 L245 W250 A251	H243-P247 WeakPolarHBondContact O-CA 3.45Å; L245-P247 VanDerWaalsContact C-CD 3.49Å; L245-P247 WeakPolarHBondContact O-CD 3.39Å; P247-W250 PolarHBondContact O-N 3.14Å; P247-A251 WeakPolarHBondContact O-CB 3.23Å; P247-A251 PolarHBondContact O-N 2.99Å
248	G	88.6	Confident	86.1	Confident	43 Å²	43	64.7 Å²	64.7	44%	0.443	33%	0.325	S	S	.	.	H	α-helix	trans	-53.3	-59.9	-173.2	0	0	0	0	0	114.8	V246 W250 A251 R252	V246-G248 PolarHBondContact O-N 2.83Å; G248-W250 PolarHBondContact O-N 3.3Å; G248-A251 PolarHBondContact O-N 3.26Å; G248-R252 WeakPolarHBondContact O-CB 3.47Å; G248-R252 PolarHBondContact O-N 3.07Å
249	P	88.1	Confident	87	Confident	24 Å²	24	66.5 Å²	66.5	16%	0.156	33%	0.333	C	S	.	.	H	α-helix	trans	-62.6	-38.8	-179.7	-23.9	34.3	0	0	0	113.3	L234 T235 M238 R252 L253	L234-P249 HydrophobicContact CB-CB 4.12Å; L234-P249 HydrophobicContact CD1-CB 4.38Å; L234-P249 HydrophobicContact CD1-CG 4.46Å; T235-P249 HydrophobicContact CG2-CB 4.08Å; M238-P249 HydrophobicContact CE-CB 3.68Å; M238-P249 HydrophobicContact CE-CG 3.79Å; P249-R252 PolarHBondContact O-N 3.46Å; P249-L253 WeakPolarHBondContact O-CB 3.23Å; P249-L253 PolarHBondContact O-N 3.11Å
250	W	89.5	Confident	87.8	Confident	21 Å²	21	64 Å²	64	8%	0.08	32%	0.318	C	S	.	.	H	α-helix	trans	-67.7	-44.5	177.7	178.2	-100.4	0	0	0	112.2	S112 E115 T235 H243 P247 G248 R252 L253 C254	S112-W250 WeakPolarHBondContact O-CH2 3.23Å; S112-W250 WeakPolarHBondContact O-CZ3 3.3Å; E115-W250 HydrophobicContact CB-CH2 3.87Å; E115-W250 HydrophobicContact CG-CH2 3.6Å; E115-W250 HydrophobicContact CG-CZ2 3.98Å; T235-W250 HydrophobicContact CG2-CB 4.4Å; T235-W250 HydrophobicContact CG2-CE3 4.18Å; H243-W250 HydrophobicContact CB-CB 4.12Å; H243-W250 HydrophobicContact CB-CG 4.21Å; H243-W250 AromaticContact CE1-CE3 3.93Å; H243-W250 AromaticContact ND1-CD2 4Å; H243-W250 AromaticContact ND1-CE3 3.61Å; P247-W250 PolarHBondContact O-N 3.14Å; G248-W250 PolarHBondContact O-N 3.3Å; W250-R252 VanDerWaalsContact C-N 3.3Å; W250-R252 PolarHBondContact O-N 3.2Å; W250-L253 HydrophobicContact CE3-CD2 3.83Å; W250-L253 HydrophobicContact CH2-CD2 4.43Å; W250-L253 HydrophobicContact CZ3-CD2 3.63Å; W250-L253 WeakPolarHBondContact O-CB 3.41Å; W250-L253 PolarHBondContact O-N 3.04Å; W250-C254 VanDerWaalsContact CE2-SG 3.6Å; W250-C254 PolarHBondContact NE1-SG 3.22Å; W250-C254 PolarHBondContact O-N 3.09Å
251	A	91	Very high	88.8	Confident	54 Å²	54	58.7 Å²	58.7	45%	0.446	29%	0.289	S	S	.	.	H	α-helix	trans	-62.4	-39.6	176.5	0	0	0	0	0	111.5	P247 G248 C254 R255	P247-A251 WeakPolarHBondContact O-CB 3.23Å; P247-A251 PolarHBondContact O-N 2.99Å; G248-A251 PolarHBondContact O-N 3.26Å; A251-C254 PolarHBondContact O-N 2.92Å; A251-R255 WeakPolarHBondContact O-CB 3.21Å; A251-R255 PolarHBondContact O-N 3.41Å
252	R	92.5	Very high	89.5	Confident	121 Å²	121	53.7 Å²	53.7	46%	0.457	28%	0.282	S	S	.	.	H	α-helix	trans	-61.5	-50	173.5	-172.2	174.5	-63.7	-178.6	1.1	111.4	S227 S231 G248 P249 W250 C254 R255 D256	S227-R252 WeakPolarHBondContact OG-CD 3.43Å; S231-R252 VanDerWaalsContact OG-CD 3.26Å; S231-R252 WeakPolarHBondContact OG-CD 3.42Å; S231-R252 WeakPolarHBondContact OG-CG 3.37Å; G248-R252 WeakPolarHBondContact O-CB 3.47Å; G248-R252 PolarHBondContact O-N 3.07Å; P249-R252 PolarHBondContact O-N 3.46Å; W250-R252 VanDerWaalsContact C-N 3.3Å; W250-R252 PolarHBondContact O-N 3.2Å; R252-C254 VanDerWaalsContact C-N 3.33Å; R252-C254 PolarHBondContact O-N 3.48Å; R252-R255 PolarHBondContact O-N 3.02Å; R252-D256 WeakPolarHBondContact O-CB 3.38Å; R252-D256 PolarHBondContact O-N 3.46Å
253	L	91.8	Very high	90.2	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-54.2	-48.6	175.2	-174.5	81.1	0	0	0	111.5	V228 T232 T235 P249 W250 D256 W257	V228-L253 HydrophobicContact CG2-CD1 3.72Å; T232-L253 WeakPolarHBondContact OG1-CD1 3.18Å; T235-L253 HydrophobicContact CG2-CB 4.47Å; T235-L253 HydrophobicContact CG2-CD2 4.28Å; P249-L253 WeakPolarHBondContact O-CB 3.23Å; P249-L253 PolarHBondContact O-N 3.11Å; W250-L253 HydrophobicContact CE3-CD2 3.83Å; W250-L253 HydrophobicContact CH2-CD2 4.43Å; W250-L253 HydrophobicContact CZ3-CD2 3.63Å; W250-L253 WeakPolarHBondContact O-CB 3.41Å; W250-L253 PolarHBondContact O-N 3.04Å; L253-D256 PolarHBondContact O-N 3.12Å; L253-W257 WeakPolarHBondContact O-CB 3.05Å; L253-W257 VanDerWaalsContact O-CD1 3.29Å; L253-W257 PolarHBondContact O-N 2.85Å
254	C	92.6	Very high	90.8	Very high	16 Å²	16	51.2 Å²	51.2	11%	0.108	27%	0.269	C	S	.	.	H	α-helix	trans	-61	-45.7	177.9	-80.4	0	0	0	0	112.5	W250 A251 R252 N258	W250-C254 VanDerWaalsContact CE2-SG 3.6Å; W250-C254 PolarHBondContact NE1-SG 3.22Å; W250-C254 PolarHBondContact O-N 3.09Å; A251-C254 PolarHBondContact O-N 2.92Å; R252-C254 VanDerWaalsContact C-N 3.33Å; R252-C254 PolarHBondContact O-N 3.48Å; C254-N258 WeakPolarHBondContact O-CB 3.37Å; C254-N258 PolarHBondContact O-N 2.84Å; C254-N258 PolarHBondContact O-ND2 2.99Å; C254-N258 PolarHBondContact O-OD1 3.06Å
255	R	94.2	Very high	91.5	Very high	111 Å²	111	44.6 Å²	44.6	42%	0.419	25%	0.248	S	C	.	.	H	α-helix	trans	-60.9	-49.6	178.6	-179	-164.5	65.7	-164.6	2.6	111.3	A251 R252 W257 N258 Q259	A251-R255 WeakPolarHBondContact O-CB 3.21Å; A251-R255 PolarHBondContact O-N 3.41Å; R252-R255 PolarHBondContact O-N 3.02Å; R255-W257 PolarHBondContact O-N 3.14Å; R255-N258 WeakPolarHBondContact O-CB 3.42Å; R255-N258 PolarHBondContact O-N 3.23Å; R255-N258 VanDerWaalsContact O-N 3.1Å; R255-Q259 WeakPolarHBondContact O-CG 3.47Å; R255-Q259 PolarHBondContact O-N 2.94Å
256	D	94.4	Very high	92	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-64.9	-41.6	-176.7	-59	-15	0	0	0	110.3	A224 S227 V228 R252 L253 N258 Q259 M260	A224-D256 HydrophobicContact CB-CB 4.09Å; S227-D256 WeakPolarHBondContact CB-OD2 3.47Å; S227-D256 PolarHBondContact OG-OD2 3.41Å; V228-D256 HydrophobicContact CB-CB 4.15Å; V228-D256 HydrophobicContact CG2-CB 4.38Å; R252-D256 WeakPolarHBondContact O-CB 3.38Å; R252-D256 PolarHBondContact O-N 3.46Å; L253-D256 PolarHBondContact O-N 3.12Å; D256-N258 VanDerWaalsContact C-N 3.35Å; D256-N258 PolarHBondContact O-N 2.8Å; D256-Q259 PolarHBondContact O-N 3.34Å; D256-M260 WeakPolarHBondContact O-CG 3.29Å; D256-M260 PolarHBondContact O-N 3.5Å
257	W	94.6	Very high	92.3	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-63.8	-36.3	171.5	-84.9	118.3	0	0	0	113.6	W113 H116 R117 R122 V228 L253 R255 M260 F261 T312 E313 L316	W113-W257 HydrophobicContact CB-CZ2 4.42Å; W113-W257 AromaticContact CD1-NE1 3.46Å; W113-W257 HydrophobicContact CD2-CH2 4.38Å; W113-W257 AromaticContact CD2-CZ2 3.44Å; W113-W257 HydrophobicContact CD2-CZ2 3.44Å; W113-W257 VanDerWaalsContact CD2-CZ2 3.44Å; W113-W257 AromaticContact CE2-CZ2 3.62Å; W113-W257 HydrophobicContact CE3-CH2 4.19Å; W113-W257 AromaticContact CE3-CZ2 3.68Å; W113-W257 HydrophobicContact CE3-CZ2 3.68Å; W113-W257 AromaticContact CG-CZ2 3.78Å; W113-W257 HydrophobicContact CG-CZ2 3.78Å; W113-W257 AromaticContact CG-NE1 3.83Å; W113-W257 HydrophobicContact CH2-CZ2 4.23Å; W113-W257 HydrophobicContact CZ2-CZ2 4.03Å; W113-W257 HydrophobicContact CZ3-CH2 4.33Å; W113-W257 HydrophobicContact CZ3-CZ2 4.07Å; W113-W257 AromaticContact NE1-NE1 3.72Å; H116-W257 WeakPolarHBondContact NE2-CB 3.23Å; R117-W257 VanDerWaalsContact NH1-CD2 3.29Å; R122-W257 PolarHBondContact NH1-O 2.77Å; V228-W257 HydrophobicContact CG2-CD2 4.4Å; V228-W257 HydrophobicContact CG2-CG 4.36Å; V228-W257 HydrophobicContact CG2-CZ2 4.45Å; L253-W257 WeakPolarHBondContact O-CB 3.05Å; L253-W257 VanDerWaalsContact O-CD1 3.29Å; L253-W257 PolarHBondContact O-N 2.85Å; R255-W257 PolarHBondContact O-N 3.14Å; W257-M260 HydrophobicContact CD2-CE 3.59Å; W257-M260 HydrophobicContact CE3-CE 3.36Å; W257-M260 HydrophobicContact CG-CE 4.15Å; W257-M260 HydrophobicContact CH2-CE 4.21Å; W257-M260 HydrophobicContact CZ2-CE 4.39Å; W257-M260 HydrophobicContact CZ3-CE 3.67Å; W257-M260 PolarHBondContact O-N 3.03Å; W257-F261 HydrophobicContact CE3-CD2 4.04Å; W257-F261 AromaticContact CE3-CE2 3.72Å; W257-F261 HydrophobicContact CE3-CE2 3.72Å; W257-F261 HydrophobicContact CZ3-CE2 4.07Å; W257-F261 VanDerWaalsContact O-CD2 3.25Å; W257-F261 WeakPolarHBondContact O-CD2 3.22Å; W257-F261 PolarHBondContact O-N 3.46Å; W257-F261 VanDerWaalsContact O-N 3.1Å; W257-T312 HydrophobicContact CE3-CG2 4.36Å; W257-T312 HydrophobicContact CZ3-CG2 3.99Å; W257-E313 HydrophobicContact CH2-CG 4.4Å; W257-L316 HydrophobicContact CH2-CD2 3.41Å; W257-L316 VanDerWaalsContact CH2-CD2 3.41Å; W257-L316 HydrophobicContact CZ2-CD2 3.95Å; W257-L316 HydrophobicContact CZ3-CD2 4.17Å
258	N	94.6	Very high	92.5	Very high	51 Å²	51	37.3 Å²	37.3	27%	0.273	20%	0.197	S	C	.	.	H	α-helix	trans	-65.2	-42.6	177.6	-71.1	-14.3	0	0	0	111.5	H116 R122 C254 R255 D256 A262	H116-N258 PolarHBondContact NE2-OD1 3.47Å; R122-N258 PolarHBondContact NH1-OD1 3.45Å; C254-N258 WeakPolarHBondContact O-CB 3.37Å; C254-N258 PolarHBondContact O-N 2.84Å; C254-N258 PolarHBondContact O-ND2 2.99Å; C254-N258 PolarHBondContact O-OD1 3.06Å; R255-N258 WeakPolarHBondContact O-CB 3.42Å; R255-N258 PolarHBondContact O-N 3.23Å; R255-N258 VanDerWaalsContact O-N 3.1Å; D256-N258 VanDerWaalsContact C-N 3.35Å; D256-N258 PolarHBondContact O-N 2.8Å; N258-A262 WeakPolarHBondContact O-CB 3.45Å; N258-A262 PolarHBondContact O-N 3.33Å
259	Q	94.6	Very high	92.5	Very high	64 Å²	64	39.6 Å²	39.6	30%	0.299	20%	0.196	S	C	.	.	H	α-helix	trans	-61.6	-48.1	174.8	-71.5	174.4	-19.9	0	0	111.8	T220 A224 R255 D256 F261 A262 F263	T220-Q259 HydrophobicContact CG2-CB 4.42Å; T220-Q259 HydrophobicContact CG2-CG 4.18Å; A224-Q259 HydrophobicContact CB-CB 4.29Å; R255-Q259 WeakPolarHBondContact O-CG 3.47Å; R255-Q259 PolarHBondContact O-N 2.94Å; D256-Q259 PolarHBondContact O-N 3.34Å; Q259-F261 VanDerWaalsContact C-N 3.34Å; Q259-F261 PolarHBondContact O-N 2.98Å; Q259-A262 PolarHBondContact O-N 3.11Å; Q259-F263 PolarHBondContact O-N 3.31Å
260	M	94.6	Very high	92.4	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-61.4	-40.4	-179.7	-71.3	-171.3	-72.1	0	0	113.1	F221 A224 V225 V228 D256 W257 A264 T312 L316	F221-M260 HydrophobicContact CD2-CB 4.17Å; F221-M260 HydrophobicContact CD2-CG 3.94Å; F221-M260 HydrophobicContact CE2-CB 3.7Å; F221-M260 HydrophobicContact CE2-CG 3.66Å; F221-M260 HydrophobicContact CE2-SD 4.47Å; F221-M260 HydrophobicContact CZ-CG 4.24Å; A224-M260 HydrophobicContact CB-CG 3.92Å; V225-M260 HydrophobicContact CG2-SD 3.77Å; V228-M260 HydrophobicContact CB-CE 3.93Å; V228-M260 HydrophobicContact CG1-CE 3.85Å; V228-M260 HydrophobicContact CG1-SD 4.47Å; V228-M260 HydrophobicContact CG2-CE 3.83Å; D256-M260 WeakPolarHBondContact O-CG 3.29Å; D256-M260 PolarHBondContact O-N 3.5Å; W257-M260 HydrophobicContact CD2-CE 3.59Å; W257-M260 HydrophobicContact CE3-CE 3.36Å; W257-M260 HydrophobicContact CG-CE 4.15Å; W257-M260 HydrophobicContact CH2-CE 4.21Å; W257-M260 HydrophobicContact CZ2-CE 4.39Å; W257-M260 HydrophobicContact CZ3-CE 3.67Å; W257-M260 PolarHBondContact O-N 3.03Å; M260-A264 PolarHBondContact O-N 3.26Å; M260-T312 HydrophobicContact CB-CG2 3.79Å; M260-L316 HydrophobicContact SD-CD1 3.99Å
261	F	94.7	Very high	92.1	Very high	4 Å²	4	43.8 Å²	43.8	2%	0.018	21%	0.213	C	C	.	.	H	α-helix	trans	-70.5	-38.5	175.3	-90.9	-100.9	0	0	0	113	R122 W257 Q259 F263 A264 Q265 V308 T312	R122-F261 HydrophobicContact CB-CE1 4.1Å; R122-F261 HydrophobicContact CG-CD1 4.33Å; R122-F261 HydrophobicContact CG-CE1 4.27Å; W257-F261 HydrophobicContact CE3-CD2 4.04Å; W257-F261 AromaticContact CE3-CE2 3.72Å; W257-F261 HydrophobicContact CE3-CE2 3.72Å; W257-F261 HydrophobicContact CZ3-CE2 4.07Å; W257-F261 VanDerWaalsContact O-CD2 3.25Å; W257-F261 WeakPolarHBondContact O-CD2 3.22Å; W257-F261 PolarHBondContact O-N 3.46Å; W257-F261 VanDerWaalsContact O-N 3.1Å; Q259-F261 VanDerWaalsContact C-N 3.34Å; Q259-F261 PolarHBondContact O-N 2.98Å; F261-F263 VanDerWaalsContact C-N 3.26Å; F261-F263 PolarHBondContact O-N 3.1Å; F261-A264 PolarHBondContact O-N 2.85Å; F261-Q265 WeakPolarHBondContact O-CB 3.33Å; F261-Q265 PolarHBondContact O-N 3.37Å; F261-V308 HydrophobicContact CD1-CG1 3.79Å; F261-V308 HydrophobicContact CE1-CG1 4.24Å; F261-T312 HydrophobicContact CD2-CG2 3.69Å; F261-T312 HydrophobicContact CE2-CG2 3.7Å; F261-T312 HydrophobicContact CG-CG2 4.3Å; F261-T312 HydrophobicContact CZ-CG2 4.4Å
262	A	94.1	Very high	91.6	Very high	55 Å²	55	45.2 Å²	45.2	46%	0.455	21%	0.21	S	C	.	.	H	α-helix	trans	-61.1	-41.9	177.4	0	0	0	0	0	110.4	N258 Q259 K266	N258-A262 WeakPolarHBondContact O-CB 3.45Å; N258-A262 PolarHBondContact O-N 3.33Å; Q259-A262 PolarHBondContact O-N 3.11Å; A262-K266 WeakPolarHBondContact O-CB 3.14Å; A262-K266 PolarHBondContact O-N 3.38Å
263	F	94	Very high	91	Very high	12 Å²	12	41.2 Å²	41.2	5%	0.053	21%	0.207	C	C	.	.	H	α-helix	trans	-60	-53	173.2	-176.5	-90.8	0	0	0	112	L207 D217 F221 Q259 F261 Q265 K266 H267 L315	L207-F263 HydrophobicContact CD1-CE1 4.32Å; L207-F263 HydrophobicContact CD1-CZ 4.05Å; L207-F263 HydrophobicContact CD2-CE1 4.45Å; L207-F263 HydrophobicContact CD2-CZ 3.96Å; D217-F263 HydrophobicContact CB-CD2 4.4Å; F221-F263 HydrophobicContact CB-CD1 4.47Å; F221-F263 HydrophobicContact CB-CD2 4.02Å; F221-F263 HydrophobicContact CB-CE2 4.28Å; F221-F263 HydrophobicContact CB-CG 4.13Å; F221-F263 HydrophobicContact CD2-CB 3.63Å; F221-F263 AromaticContact CD2-CD1 3.45Å; F221-F263 HydrophobicContact CD2-CD1 3.45Å; F221-F263 VanDerWaalsContact CD2-CD1 3.45Å; F221-F263 HydrophobicContact CD2-CD2 4.28Å; F221-F263 HydrophobicContact CD2-CE1 4.17Å; F221-F263 AromaticContact CD2-CG 3.52Å; F221-F263 HydrophobicContact CD2-CG 3.52Å; F221-F263 HydrophobicContact CE2-CB 4.28Å; F221-F263 AromaticContact CE2-CD1 3.78Å; F221-F263 HydrophobicContact CE2-CD1 3.78Å; F221-F263 HydrophobicContact CE2-CE1 4.49Å; F221-F263 HydrophobicContact CE2-CG 4.24Å; F221-F263 AromaticContact CG-CD1 3.98Å; F221-F263 HydrophobicContact CG-CD1 3.98Å; F221-F263 HydrophobicContact CG-CD2 4.4Å; F221-F263 HydrophobicContact CG-CE1 4.28Å; F221-F263 HydrophobicContact CG-CG 4.04Å; Q259-F263 PolarHBondContact O-N 3.31Å; F261-F263 VanDerWaalsContact C-N 3.26Å; F261-F263 PolarHBondContact O-N 3.1Å; F263-Q265 VanDerWaalsContact C-N 3.33Å; F263-Q265 PolarHBondContact O-N 2.87Å; F263-K266 PolarHBondContact O-N 3.26Å; F263-H267 AromaticContact CD1-CD2 3.85Å; F263-H267 AromaticContact CE1-CD2 3.55Å; F263-H267 AromaticContact CE1-NE2 3.86Å; F263-H267 AromaticContact CE2-CD2 3.88Å; F263-H267 AromaticContact CE2-NE2 3.46Å; F263-H267 WeakPolarHBondContact CE2-NE2 3.29Å; F263-H267 AromaticContact CZ-CD2 3.57Å; F263-H267 AromaticContact CZ-NE2 3.34Å; F263-H267 VanDerWaalsContact CZ-NE2 3.34Å; F263-H267 WeakPolarHBondContact CZ-NE2 3.43Å; F263-H267 PolarHBondContact O-CD2 2.97Å; F263-H267 VanDerWaalsContact O-CD2 3.25Å; F263-H267 PolarHBondContact O-N 3.11Å; F263-L315 HydrophobicContact CD1-CD1 4.22Å; F263-L315 HydrophobicContact CE1-CD1 4.24Å
264	A	93.1	Very high	90.4	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-61.5	-41.6	179.4	0	0	0	0	0	112.3	M260 F261 H267 V268 V308 V311 T312 L315	M260-A264 PolarHBondContact O-N 3.26Å; F261-A264 PolarHBondContact O-N 2.85Å; A264-H267 PolarHBondContact O-N 3.32Å; A264-V268 WeakPolarHBondContact O-CB 3.39Å; A264-V268 WeakPolarHBondContact O-CG2 3.04Å; A264-V268 PolarHBondContact O-N 2.84Å; A264-V308 HydrophobicContact CB-CG1 4.29Å; A264-V311 HydrophobicContact CB-CG1 4.14Å; A264-T312 WeakPolarHBondContact CB-OG1 3.24Å; A264-L315 HydrophobicContact CB-CD1 4.39Å
265	Q	93	Very high	89.5	Confident	83 Å²	83	45.1 Å²	45.1	39%	0.388	23%	0.23	S	C	.	.	H	α-helix	trans	-61.1	-51.1	178.4	-179.7	169.4	5.1	0	0	111.2	F261 F263 H267 V268 E269 V308	F261-Q265 WeakPolarHBondContact O-CB 3.33Å; F261-Q265 PolarHBondContact O-N 3.37Å; F263-Q265 VanDerWaalsContact C-N 3.33Å; F263-Q265 PolarHBondContact O-N 2.87Å; Q265-H267 VanDerWaalsContact C-N 3.29Å; Q265-H267 PolarHBondContact O-N 2.79Å; Q265-V268 PolarHBondContact O-N 2.94Å; Q265-V268 VanDerWaalsContact O-N 3.16Å; Q265-E269 HydrophobicContact CG-CG 4.24Å; Q265-E269 WeakPolarHBondContact CG-OE1 3.26Å; Q265-E269 PolarHBondContact NE2-OE1 3.34Å; Q265-E269 WeakPolarHBondContact O-CB 3.13Å; Q265-E269 WeakPolarHBondContact O-CG 3.22Å; Q265-E269 PolarHBondContact O-N 3.43Å; Q265-V308 HydrophobicContact CB-CG1 4.18Å; Q265-V308 HydrophobicContact CB-CG2 4.42Å
266	K	92.5	Very high	88.6	Confident	103 Å²	103	42.2 Å²	42.2	45%	0.448	23%	0.23	S	C	.	.	H	α-helix	trans	-52	-47.9	176.7	175	178.7	172.7	175.9	0	111.7	D217 A262 F263 Q270	D217-K266 IonicContact OD2-NZ 2.74Å; D217-K266 PolarHBondContact OD2-NZ 2.83Å; A262-K266 WeakPolarHBondContact O-CB 3.14Å; A262-K266 PolarHBondContact O-N 3.38Å; F263-K266 PolarHBondContact O-N 3.26Å; K266-Q270 WeakPolarHBondContact O-CB 3.24Å; K266-Q270 PolarHBondContact O-N 3.01Å
267	H	90.3	Very high	87.6	Confident	22 Å²	22	48.8 Å²	48.8	10%	0.102	26%	0.262	C	S	.	.	H	α-helix	trans	-72.7	-34.9	-179	-76	-66.1	0	0	0	113.6	L203 L207 F263 A264 Q265 R271	L203-H267 HydrophobicContact CD1-CB 3.68Å; L203-H267 HydrophobicContact CD2-CB 3.94Å; L203-H267 HydrophobicContact CG-CB 4.38Å; L207-H267 VanDerWaalsContact CD2-CE1 3.47Å; L207-H267 WeakPolarHBondContact CD2-CE1 3.46Å; F263-H267 AromaticContact CD1-CD2 3.85Å; F263-H267 AromaticContact CE1-CD2 3.55Å; F263-H267 AromaticContact CE1-NE2 3.86Å; F263-H267 AromaticContact CE2-CD2 3.88Å; F263-H267 AromaticContact CE2-NE2 3.46Å; F263-H267 WeakPolarHBondContact CE2-NE2 3.29Å; F263-H267 AromaticContact CZ-CD2 3.57Å; F263-H267 AromaticContact CZ-NE2 3.34Å; F263-H267 VanDerWaalsContact CZ-NE2 3.34Å; F263-H267 WeakPolarHBondContact CZ-NE2 3.43Å; F263-H267 PolarHBondContact O-CD2 2.97Å; F263-H267 VanDerWaalsContact O-CD2 3.25Å; F263-H267 PolarHBondContact O-N 3.11Å; A264-H267 PolarHBondContact O-N 3.32Å; Q265-H267 VanDerWaalsContact C-N 3.29Å; Q265-H267 PolarHBondContact O-N 2.79Å; H267-R271 WeakPolarHBondContact O-CG 3.43Å; H267-R271 PolarHBondContact O-N 3.17Å
268	V	89.5	Confident	86.3	Confident	0 Å²	0	57 Å²	57	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-67.2	-44.7	175.7	169.3	0	0	0	0	110.8	L203 A264 Q265 R271 E272 T294 F298 I307 V308 V311	L203-V268 HydrophobicContact CD2-CG2 4.35Å; A264-V268 WeakPolarHBondContact O-CB 3.39Å; A264-V268 WeakPolarHBondContact O-CG2 3.04Å; A264-V268 PolarHBondContact O-N 2.84Å; Q265-V268 PolarHBondContact O-N 2.94Å; Q265-V268 VanDerWaalsContact O-N 3.16Å; V268-R271 PolarHBondContact O-N 3.47Å; V268-E272 PolarHBondContact O-N 3.47Å; V268-T294 HydrophobicContact CG2-CG2 4.39Å; V268-F298 HydrophobicContact CG1-CE2 4.3Å; V268-F298 HydrophobicContact CG1-CZ 3.75Å; V268-I307 HydrophobicContact CG1-CG2 3.97Å; V268-I307 HydrophobicContact CG2-CG2 4.25Å; V268-V308 HydrophobicContact CB-CG2 4.05Å; V268-V308 HydrophobicContact CG1-CG2 4.02Å; V268-V308 HydrophobicContact CG2-CG2 4.21Å; V268-V311 HydrophobicContact CG2-CB 4.31Å; V268-V311 HydrophobicContact CG2-CG1 4.22Å; V268-V311 HydrophobicContact CG2-CG2 4.09Å
269	E	89	Confident	85	Confident	91 Å²	91	63.1 Å²	63.1	43%	0.425	32%	0.318	S	S	.	.	H	α-helix	trans	-63.5	-42.5	178.1	-72.7	172.2	177.7	0	0	111.9	Q265 R271 E272 G273	Q265-E269 HydrophobicContact CG-CG 4.24Å; Q265-E269 WeakPolarHBondContact CG-OE1 3.26Å; Q265-E269 PolarHBondContact NE2-OE1 3.34Å; Q265-E269 WeakPolarHBondContact O-CB 3.13Å; Q265-E269 WeakPolarHBondContact O-CG 3.22Å; Q265-E269 PolarHBondContact O-N 3.43Å; E269-R271 PolarHBondContact O-N 3.37Å; E269-E272 PolarHBondContact O-N 2.6Å; E269-G273 PolarHBondContact O-N 3.41Å
270	Q	86.6	Confident	83.5	Confident	93 Å²	93	67.3 Å²	67.3	44%	0.435	34%	0.341	S	S	.	.	H	α-helix	trans	-55.8	-42.1	174	-177.2	-178.9	-9.8	0	0	111.4	K266 G273 E274	K266-Q270 WeakPolarHBondContact O-CB 3.24Å; K266-Q270 PolarHBondContact O-N 3.01Å; Q270-G273 PolarHBondContact O-N 3.02Å; Q270-E274 PolarHBondContact NE2-OE1 2.85Å; Q270-E274 VanDerWaalsContact NE2-OE1 3.11Å; Q270-E274 WeakPolarHBondContact O-CG 3.3Å; Q270-E274 PolarHBondContact O-N 2.96Å
271	R	81.8	Confident	81.6	Confident	39 Å²	39	69.9 Å²	69.9	15%	0.147	37%	0.367	C	S	.	.	H	α-helix	trans	-72.4	-37.6	179.6	-68.2	-52	-174.9	176	1.1	113.9	L203 G204 S205 H267 V268 E269 G273 E274 A275	L203-R271 PolarHBondContact O-NE 2.81Å; G204-R271 PolarHBondContact O-NH2 2.91Å; S205-R271 PolarHBondContact OG-NE 3.26Å; S205-R271 PolarHBondContact OG-NH2 2.82Å; H267-R271 WeakPolarHBondContact O-CG 3.43Å; H267-R271 PolarHBondContact O-N 3.17Å; V268-R271 PolarHBondContact O-N 3.47Å; E269-R271 PolarHBondContact O-N 3.37Å; R271-G273 VanDerWaalsContact C-N 3.29Å; R271-E274 WeakPolarHBondContact CD-OE2 3.5Å; R271-E274 IonicContact CZ-OE2 2.72Å; R271-E274 IonicContact NE-OE2 3.29Å; R271-E274 IonicContact NH1-OE1 3.07Å; R271-E274 IonicContact NH1-OE2 2.63Å; R271-E274 PolarHBondContact NH1-OE2 2.57Å; R271-E274 PolarHBondContact O-N 3.38Å; R271-A275 VanDerWaalsContact O-CB 3.31Å; R271-A275 WeakPolarHBondContact O-CB 3.43Å; R271-A275 PolarHBondContact O-N 3.41Å
272	E	80.4	Confident	79.2	Confident	84 Å²	84	78.6 Å²	78.6	39%	0.393	41%	0.405	S	S	.	.	H	α-helix	trans	-59.7	-44.8	172.4	-172.7	171.9	-160.7	0	0	110.6	V268 E269 A275 A276 F298	V268-E272 PolarHBondContact O-N 3.47Å; E269-E272 PolarHBondContact O-N 2.6Å; E272-A275 PolarHBondContact O-N 3.19Å; E272-A276 WeakPolarHBondContact O-CB 3.23Å; E272-A276 PolarHBondContact O-N 3.36Å; E272-F298 HydrophobicContact CB-CE1 4.39Å; E272-F298 HydrophobicContact CB-CZ 3.92Å; E272-F298 HydrophobicContact CG-CE1 4.27Å; E272-F298 HydrophobicContact CG-CZ 4.31Å
273	G	81.4	Confident	77.3	Confident	37 Å²	37	81.9 Å²	81.9	38%	0.381	42%	0.422	S	S	.	.	H	α-helix	trans	-59.9	-49	175.8	0	0	0	0	0	113	E269 Q270 R271 A275 A276 M277	E269-G273 PolarHBondContact O-N 3.41Å; Q270-G273 PolarHBondContact O-N 3.02Å; R271-G273 VanDerWaalsContact C-N 3.29Å; G273-A275 VanDerWaalsContact C-N 3.35Å; G273-A275 PolarHBondContact O-N 3.41Å; G273-A276 PolarHBondContact O-N 3.15Å; G273-M277 VanDerWaalsContact O-CG 3.31Å; G273-M277 WeakPolarHBondContact O-CG 3.38Å; G273-M277 PolarHBondContact O-N 3.38Å
274	E	78.9	Confident	74.9	Confident	60 Å²	60	90.3 Å²	90.3	28%	0.28	46%	0.462	S	S	.	.	H	α-helix	trans	-62.4	-40	177.7	-71.8	172.1	-165.8	0	0	112.7	Q270 R271 M277 R278	Q270-E274 PolarHBondContact NE2-OE1 2.85Å; Q270-E274 VanDerWaalsContact NE2-OE1 3.11Å; Q270-E274 WeakPolarHBondContact O-CG 3.3Å; Q270-E274 PolarHBondContact O-N 2.96Å; R271-E274 WeakPolarHBondContact CD-OE2 3.5Å; R271-E274 IonicContact CZ-OE2 2.72Å; R271-E274 IonicContact NE-OE2 3.29Å; R271-E274 IonicContact NH1-OE1 3.07Å; R271-E274 IonicContact NH1-OE2 2.63Å; R271-E274 PolarHBondContact NH1-OE2 2.57Å; R271-E274 PolarHBondContact O-N 3.38Å; E274-M277 PolarHBondContact O-N 2.84Å; E274-R278 WeakPolarHBondContact O-CG 3.26Å; E274-R278 PolarHBondContact O-N 3.25Å
275	A	73.3	Confident	72.1	Confident	39 Å²	39	98.5 Å²	98.5	32%	0.322	50%	0.5	S	S	.	.	H	α-helix	trans	-67.1	-38.6	176.5	0	0	0	0	0	112	R271 E272 G273 R278 K279	R271-A275 VanDerWaalsContact O-CB 3.31Å; R271-A275 WeakPolarHBondContact O-CB 3.43Å; R271-A275 PolarHBondContact O-N 3.41Å; E272-A275 PolarHBondContact O-N 3.19Å; G273-A275 VanDerWaalsContact C-N 3.35Å; G273-A275 PolarHBondContact O-N 3.41Å; A275-R278 PolarHBondContact O-N 3.11Å; A275-K279 WeakPolarHBondContact O-CG 3.34Å; A275-K279 PolarHBondContact O-N 2.84Å
276	A	75.6	Confident	69.6	Low	50 Å²	50	102.7 Å²	102.7	41%	0.413	53%	0.525	S	S	.	.	H	α-helix	trans	-65	-43.9	175.1	0	0	0	0	0	111.8	E272 G273 R278 K279 L280	E272-A276 WeakPolarHBondContact O-CB 3.23Å; E272-A276 PolarHBondContact O-N 3.36Å; G273-A276 PolarHBondContact O-N 3.15Å; A276-R278 PolarHBondContact O-N 3.21Å; A276-K279 PolarHBondContact O-N 2.97Å; A276-L280 PolarHBondContact O-N 2.86Å
277	M	72.4	Confident	67	Low	138 Å²	138	103 Å²	103	68%	0.68	54%	0.535	S	S	*	.	H	α-helix	trans	-63	-39.1	176.8	-70.1	-61.1	-68.9	0	0	112.4	G273 E274 K279 L280 G281	G273-M277 VanDerWaalsContact O-CG 3.31Å; G273-M277 WeakPolarHBondContact O-CG 3.38Å; G273-M277 PolarHBondContact O-N 3.38Å; E274-M277 PolarHBondContact O-N 2.84Å; M277-K279 PolarHBondContact O-N 3.15Å; M277-L280 PolarHBondContact O-N 3.4Å; M277-G281 PolarHBondContact O-N 3.4Å
278	R	68.4	Low	64.8	Low	172 Å²	172	106.9 Å²	106.9	65%	0.649	56%	0.562	S	S	*	*	H	α-helix	trans	-63.7	-39	175	-76	178.2	-175.8	173.6	3.3	112.7	E274 A275 A276 L280 G281	E274-R278 WeakPolarHBondContact O-CG 3.26Å; E274-R278 PolarHBondContact O-N 3.25Å; A275-R278 PolarHBondContact O-N 3.11Å; A276-R278 PolarHBondContact O-N 3.21Å; R278-L280 VanDerWaalsContact C-N 3.26Å; R278-L280 PolarHBondContact O-N 2.99Å; R278-G281 PolarHBondContact O-N 3.02Å; R278-G281 VanDerWaalsContact O-N 3.16Å
279	K	66.1	Low	62.6	Low	180 Å²	180	110 Å²	110	78%	0.783	58%	0.584	S	S	*	*	H	α-helix	trans	-64.6	-28.3	176.4	-74.4	178.2	-178.9	177.7	0	113.2	A275 A276 M277	A275-K279 WeakPolarHBondContact O-CG 3.34Å; A275-K279 PolarHBondContact O-N 2.84Å; A276-K279 PolarHBondContact O-N 2.97Å; M277-K279 PolarHBondContact O-N 3.15Å
280	L	62.7	Low	60.8	Low	152 Å²	152	107.8 Å²	107.8	80%	0.796	59%	0.586	S	S	*	*	H	α-helix	trans	-79.7	-17.8	175.3	-102.7	76.5	0	0	0	113.6	A276 M277 R278	A276-L280 PolarHBondContact O-N 2.86Å; M277-L280 PolarHBondContact O-N 3.4Å; R278-L280 VanDerWaalsContact C-N 3.26Å; R278-L280 PolarHBondContact O-N 2.99Å
281	G	55	Low	59.4	Low	53 Å²	53	107.9 Å²	107.9	55%	0.546	59%	0.586	S	S	.	*	H	α-helix	trans	-95.7	-24	-162.2	0	0	0	0	0	118.2	M277 R278	M277-G281 PolarHBondContact O-N 3.4Å; R278-G281 PolarHBondContact O-N 3.02Å; R278-G281 VanDerWaalsContact O-N 3.16Å
282	K	45.9	Very low	58.9	Low	188 Å²	188	107.7 Å²	107.7	82%	0.817	59%	0.587	S	S	*	*			trans	171	138.4	171.1	-103.3	164.6	-174.7	-173.1	0	110.5
283	P	53.5	Low	58.6	Low	124 Å²	124	103.7 Å²	103.7	81%	0.805	57%	0.568	S	S	*	*			trans	-96	103.4	164.4	32.3	-21	0	0	0	109.4
284	E	42.9	Very low	58.2	Low	189 Å²	189	101.9 Å²	101.9	88%	0.883	55%	0.55	S	S	*	.			trans	168.5	123.3	141.1	-97.8	175	172.1	0	0	112.8
285	E	35.7	Very low	57.8	Low	171 Å²	171	101.9 Å²	101.9	80%	0.799	55%	0.55	S	S	*	.			trans	139.6	120.7	145	-82.6	-171.1	171.9	0	0	107.2	V287	E285-V287 PolarHBondContact O-N 3.05Å
286	D	39.9	Very low	57.7	Low	172 Å²	172	102.4 Å²	102.4	92%	0.92	55%	0.545	S	S	*	.			trans	-62.3	66.9	170.1	-85.5	-38.7	0	0	0	109.4	P288	D286-P288 WeakPolarHBondContact O-CD 3.39Å
287	V	37.6	Very low	57.7	Low	108 Å²	108	100.2 Å²	100.2	66%	0.655	53%	0.526	S	S	*	.			trans	-61.6	121	155.8	-177.8	0	0	0	0	103.8	E285 S289	E285-V287 PolarHBondContact O-N 3.05Å; V287-S289 PolarHBondContact O-N 2.83Å
288	P	43.2	Very low	57.7	Low	105 Å²	105	96.1 Å²	96.1	68%	0.682	51%	0.505	S	S	*	.			trans	-65.3	90.1	178.9	22.8	-26.5	0	0	0	106.9	D286 G290	D286-P288 WeakPolarHBondContact O-CD 3.39Å; P288-G290 PolarHBondContact O-N 3.15Å
289	S	45.2	Very low	58	Low	64 Å²	64	96.3 Å²	96.3	45%	0.448	51%	0.505	S	S	.	.			trans	-46.7	119	171.8	37.9	0	0	0	0	105.9	V287 H291	V287-S289 PolarHBondContact O-N 2.83Å; S289-H291 PolarHBondContact O-N 2.91Å; S289-H291 VanDerWaalsContact O-N 3.14Å
290	G	49.8	Very low	58.4	Low	46 Å²	46	93.2 Å²	93.2	47%	0.474	49%	0.494	S	S	.	.			trans	-44.5	128.8	-179.4	0	0	0	0	0	108.1	P288 H292	P288-G290 PolarHBondContact O-N 3.15Å; G290-H292 PolarHBondContact O-CD2 2.96Å; G290-H292 PolarHBondContact O-N 3.1Å
291	H	58.1	Low	59	Low	95 Å²	95	95.1 Å²	95.1	44%	0.44	50%	0.495	S	S	.	.			trans	-68.3	44.2	-161	-76.3	59	0	0	0	114	Y154 S289 F296	Y154-H291 HydrophobicContact CE1-CB 4.18Å; Y154-H291 WeakPolarHBondContact CE1-O 3.44Å; Y154-H291 PolarHBondContact OH-O 2.96Å; Y154-H291 VanDerWaalsContact OH-O 3.09Å; S289-H291 PolarHBondContact O-N 2.91Å; S289-H291 VanDerWaalsContact O-N 3.14Å; H291-F296 HydrophobicContact CB-CE2 4.19Å
292	H	70.4	Confident	60.2	Low	34 Å²	34	93.3 Å²	93.3	16%	0.157	47%	0.473	C	S	.	.			trans	-73.3	140.8	-171.2	62.5	87.2	0	0	0	112.5	V201 G290 T294 H295 F296	V201-H292 VanDerWaalsContact O-CA 3.24Å; V201-H292 WeakPolarHBondContact O-CA 3.21Å; V201-H292 WeakPolarHBondContact O-CB 3.33Å; G290-H292 PolarHBondContact O-CD2 2.96Å; G290-H292 PolarHBondContact O-N 3.1Å; H292-T294 VanDerWaalsContact C-N 3.33Å; H292-T294 PolarHBondContact ND1-OG1 2.87Å; H292-T294 PolarHBondContact O-N 3.43Å; H292-H295 PolarHBondContact O-N 2.94Å; H292-F296 WeakPolarHBondContact O-CD2 3.34Å
293	L	74.8	Confident	62.1	Low	0 Å²	0	87.7 Å²	87.7	0%	0	46%	0.457	C	S	.	.	H	α-helix	trans	-62.3	-38	-165.2	-167.9	70.1	0	0	0	112.9	L141 L144 L145 V201 L202 H295 F296 L297 L314	L141-L293 HydrophobicContact CD2-CD1 3.96Å; L141-L293 HydrophobicContact CD2-CD2 3.77Å; L141-L293 HydrophobicContact CD2-CG 4.18Å; L144-L293 HydrophobicContact CB-CD1 3.86Å; L144-L293 HydrophobicContact CD1-CD1 3.49Å; L144-L293 VanDerWaalsContact CD1-CD1 3.49Å; L144-L293 HydrophobicContact CG-CD1 4.31Å; L145-L293 HydrophobicContact CD1-CD2 4.35Å; V201-L293 PolarHBondContact O-N 3.36Å; V201-L293 VanDerWaalsContact O-N 3.12Å; L202-L293 HydrophobicContact CD2-CB 3.91Å; L202-L293 HydrophobicContact CD2-CD2 3.29Å; L202-L293 HydrophobicContact CD2-CG 4.24Å; L202-L293 PolarHBondContact O-N 3.47Å; L293-H295 VanDerWaalsContact C-N 3.32Å; L293-H295 PolarHBondContact O-N 3.47Å; L293-F296 PolarHBondContact O-N 2.97Å; L293-L297 HydrophobicContact CD2-CD1 4.46Å; L293-L297 HydrophobicContact CG-CD1 4.23Å; L293-L297 HydrophobicContact CG-CG 4.37Å; L293-L297 WeakPolarHBondContact O-CG 3.46Å; L293-L297 PolarHBondContact O-N 3.12Å; L293-L297 VanDerWaalsContact O-N 3.07Å; L293-L314 HydrophobicContact CD2-CD1 3.6Å
294	T	73.4	Confident	63.7	Low	0 Å²	0	84.4 Å²	84.4	0%	0	44%	0.435	C	S	.	.	H	α-helix	trans	-58.4	-39.8	-179.3	46.7	0	0	0	0	113.2	L202 L203 V268 H292 F296 L297 F298 I307 V311	L202-T294 VanDerWaalsContact O-CG2 3.3Å; L202-T294 WeakPolarHBondContact O-CG2 3.33Å; L202-T294 PolarHBondContact O-N 2.99Å; L202-T294 PolarHBondContact O-OG1 2.74Å; L202-T294 VanDerWaalsContact O-OG1 3.05Å; L203-T294 HydrophobicContact CD2-CG2 4.08Å; V268-T294 HydrophobicContact CG2-CG2 4.39Å; H292-T294 VanDerWaalsContact C-N 3.33Å; H292-T294 PolarHBondContact ND1-OG1 2.87Å; H292-T294 PolarHBondContact O-N 3.43Å; T294-F296 VanDerWaalsContact C-N 3.31Å; T294-F296 PolarHBondContact O-N 2.96Å; T294-L297 PolarHBondContact O-N 2.82Å; T294-F298 WeakPolarHBondContact O-CD2 3.13Å; T294-F298 PolarHBondContact O-N 3.24Å; T294-I307 HydrophobicContact CG2-CG2 4.41Å; T294-V311 HydrophobicContact CG2-CG2 3.71Å
295	H	70.8	Confident	65.8	Low	59 Å²	59	81.5 Å²	81.5	27%	0.273	42%	0.422	S	S	.	.	H	α-helix	trans	-61.5	-41.5	178.8	178.1	-110.3	0	0	0	111.6	H292 L293 F298 R299	H292-H295 PolarHBondContact O-N 2.94Å; L293-H295 VanDerWaalsContact C-N 3.32Å; L293-H295 PolarHBondContact O-N 3.47Å; H295-F298 PolarHBondContact O-N 3.21Å; H295-R299 WeakPolarHBondContact O-CG 3.32Å; H295-R299 PolarHBondContact O-N 2.98Å; H295-R299 VanDerWaalsContact O-N 3.09Å
296	F	70.7	Confident	68.3	Low	50 Å²	50	74 Å²	74	22%	0.219	39%	0.388	C	S	.	.	H	α-helix	trans	-64	-43.9	174.8	-69.2	-80.7	0	0	0	111.8	L144 H291 H292 L293 T294 F298 R299 E300	L144-F296 HydrophobicContact CD1-CB 3.84Å; L144-F296 HydrophobicContact CD1-CG 4.16Å; L144-F296 HydrophobicContact CD2-CD1 4.23Å; L144-F296 HydrophobicContact CD2-CE1 4.47Å; L144-F296 HydrophobicContact CD2-CG 4.27Å; H291-F296 HydrophobicContact CB-CE2 4.19Å; H292-F296 WeakPolarHBondContact O-CD2 3.34Å; L293-F296 PolarHBondContact O-N 2.97Å; T294-F296 VanDerWaalsContact C-N 3.31Å; T294-F296 PolarHBondContact O-N 2.96Å; F296-F298 VanDerWaalsContact C-N 3.27Å; F296-F298 PolarHBondContact O-N 2.99Å; F296-R299 WeakPolarHBondContact O-CB 3.4Å; F296-R299 PolarHBondContact O-N 3.22Å; F296-E300 WeakPolarHBondContact O-CG 3.41Å; F296-E300 PolarHBondContact O-N 3.5Å
297	L	75.6	Confident	70.7	Confident	4 Å²	4	65.8 Å²	65.8	2%	0.021	34%	0.344	C	S	.	.	H	α-helix	trans	-62.3	-35.6	179.1	-62.1	175	0	0	0	112.4	L141 L293 T294 L302 I307	L141-L297 HydrophobicContact CD2-CD2 3.89Å; L293-L297 HydrophobicContact CD2-CD1 4.46Å; L293-L297 HydrophobicContact CG-CD1 4.23Å; L293-L297 HydrophobicContact CG-CG 4.37Å; L293-L297 WeakPolarHBondContact O-CG 3.46Å; L293-L297 PolarHBondContact O-N 3.12Å; L293-L297 VanDerWaalsContact O-N 3.07Å; T294-L297 PolarHBondContact O-N 2.82Å; L297-L302 HydrophobicContact CB-CD1 4.12Å; L297-L302 HydrophobicContact CD2-CD1 3.61Å; L297-L302 HydrophobicContact CG-CD1 4.4Å; L297-L302 PolarHBondContact O-N 3.26Å; L297-I307 HydrophobicContact CB-CD1 4.1Å; L297-I307 HydrophobicContact CB-CG1 3.97Å; L297-I307 HydrophobicContact CD1-CG2 4.33Å
298	F	72.4	Confident	73.3	Confident	53 Å²	53	61.1 Å²	61.1	23%	0.232	32%	0.316	C	S	.	.	H	α-helix	trans	-66.5	-39.2	171.6	-77	-65.8	0	0	0	112.5	V268 E272 T294 H295 F296 E300 K301 V304 I307	V268-F298 HydrophobicContact CG1-CE2 4.3Å; V268-F298 HydrophobicContact CG1-CZ 3.75Å; E272-F298 HydrophobicContact CB-CE1 4.39Å; E272-F298 HydrophobicContact CB-CZ 3.92Å; E272-F298 HydrophobicContact CG-CE1 4.27Å; E272-F298 HydrophobicContact CG-CZ 4.31Å; T294-F298 WeakPolarHBondContact O-CD2 3.13Å; T294-F298 PolarHBondContact O-N 3.24Å; H295-F298 PolarHBondContact O-N 3.21Å; F296-F298 VanDerWaalsContact C-N 3.27Å; F296-F298 PolarHBondContact O-N 2.99Å; F298-E300 VanDerWaalsContact C-N 3.32Å; F298-E300 PolarHBondContact O-N 3.11Å; F298-K301 PolarHBondContact O-N 2.91Å; F298-V304 HydrophobicContact CE1-CG2 4.36Å; F298-I307 HydrophobicContact CD1-CD1 3.43Å; F298-I307 VanDerWaalsContact CD1-CD1 3.43Å; F298-I307 HydrophobicContact CD2-CD1 4.28Å; F298-I307 HydrophobicContact CE1-CD1 3.57Å; F298-I307 HydrophobicContact CE2-CD1 4.37Å; F298-I307 HydrophobicContact CG-CD1 3.82Å; F298-I307 HydrophobicContact CZ-CD1 4.04Å
299	R	73.8	Confident	75.6	Confident	176 Å²	176	56.1 Å²	56.1	66%	0.664	28%	0.283	S	S	*	.	H	α-helix	trans	-64.6	-35.6	176.5	-70.1	-176.6	88.5	175.4	9	112.6	H295 F296 K301	H295-R299 WeakPolarHBondContact O-CG 3.32Å; H295-R299 PolarHBondContact O-N 2.98Å; H295-R299 VanDerWaalsContact O-N 3.09Å; F296-R299 WeakPolarHBondContact O-CB 3.4Å; F296-R299 PolarHBondContact O-N 3.22Å; R299-K301 PolarHBondContact O-N 3.25Å; R299-K301 VanDerWaalsContact O-N 3.15Å
300	E	74.9	Confident	77.9	Confident	115 Å²	115	53.1 Å²	53.1	54%	0.537	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	7	176.2	-66.3	-62	143.4	0	0	113.7	L140 F296 F298 L302	L140-E300 HydrophobicContact CD2-CG 4.19Å; F296-E300 WeakPolarHBondContact O-CG 3.41Å; F296-E300 PolarHBondContact O-N 3.5Å; F298-E300 VanDerWaalsContact C-N 3.32Å; F298-E300 PolarHBondContact O-N 3.11Å; E300-L302 PolarHBondContact O-N 2.94Å
301	K	76.2	Confident	79.9	Confident	191 Å²	191	51 Å²	51	83%	0.83	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.6	34	178	-56.9	-177.4	-179	179.5	0	113.6	F298 R299	F298-K301 PolarHBondContact O-N 2.91Å; R299-K301 PolarHBondContact O-N 3.25Å; R299-K301 VanDerWaalsContact O-N 3.15Å
302	L	80.5	Confident	81.7	Confident	16 Å²	16	46.4 Å²	46.4	8%	0.084	22%	0.219	C	C	.	.			trans	-66.9	147.2	167.8	-73.6	169.6	0	0	0	109.9	L140 L297 E300 I307	L140-L302 HydrophobicContact CD1-CD1 4.23Å; L140-L302 HydrophobicContact CD1-CD2 4.26Å; L297-L302 HydrophobicContact CB-CD1 4.12Å; L297-L302 HydrophobicContact CD2-CD1 3.61Å; L297-L302 HydrophobicContact CG-CD1 4.4Å; L297-L302 PolarHBondContact O-N 3.26Å; E300-L302 PolarHBondContact O-N 2.94Å; L302-I307 HydrophobicContact CB-CD1 4.3Å; L302-I307 HydrophobicContact CB-CG1 3.88Å
303	S	85.7	Confident	82.8	Confident	69 Å²	69	44.9 Å²	44.9	48%	0.483	21%	0.212	S	C	.	.			trans	-65.1	145.9	173.4	67.4	0	0	0	0	110	Q305 S306 I307	S303-Q305 PolarHBondContact O-N 3.49Å; S303-Q305 VanDerWaalsContact O-N 3.15Å; S303-S306 WeakPolarHBondContact O-CA 3.38Å; S303-S306 WeakPolarHBondContact O-CB 3.49Å; S303-S306 PolarHBondContact O-N 3.27Å; S303-S306 WeakPolarHBondContact OG-CB 3.48Å; S303-S306 PolarHBondContact OG-N 3.47Å; S303-I307 PolarHBondContact O-N 3.27Å
304	V	85.8	Confident	83.7	Confident	55 Å²	55	45.3 Å²	45.3	33%	0.333	21%	0.214	S	C	.	.	H	α-helix	trans	-51.8	-40.7	176.8	178.6	0	0	0	0	111	F298 S306 I307 V308	F298-V304 HydrophobicContact CE1-CG2 4.36Å; V304-S306 VanDerWaalsContact C-N 3.35Å; V304-S306 PolarHBondContact O-N 3.19Å; V304-I307 PolarHBondContact O-N 3.12Å; V304-V308 HydrophobicContact CG1-CG2 4.34Å; V304-V308 WeakPolarHBondContact O-CG2 3.36Å; V304-V308 PolarHBondContact O-N 3.09Å
305	Q	87.3	Confident	84.6	Confident	129 Å²	129	45.3 Å²	45.3	60%	0.603	21%	0.214	S	C	*	.	H	α-helix	trans	-60	-41.3	175.9	-67	-177.3	-19.9	0	0	112.9	A123 S303 G309	A123-Q305 HydrophobicContact CB-CB 4.31Å; A123-Q305 WeakPolarHBondContact CB-O 3.35Å; S303-Q305 PolarHBondContact O-N 3.49Å; S303-Q305 VanDerWaalsContact O-N 3.15Å; Q305-G309 PolarHBondContact O-N 3.14Å
306	S	88.4	Confident	85.7	Confident	13 Å²	13	42.6 Å²	42.6	9%	0.091	20%	0.201	C	C	.	.	H	α-helix	trans	-68.3	-38.1	176.4	-173.8	0	0	0	0	111.9	S303 V304 G309 N310	S303-S306 WeakPolarHBondContact O-CA 3.38Å; S303-S306 WeakPolarHBondContact O-CB 3.49Å; S303-S306 PolarHBondContact O-N 3.27Å; S303-S306 WeakPolarHBondContact OG-CB 3.48Å; S303-S306 PolarHBondContact OG-N 3.47Å; V304-S306 VanDerWaalsContact C-N 3.35Å; V304-S306 PolarHBondContact O-N 3.19Å; S306-G309 PolarHBondContact O-N 3.09Å; S306-N310 PolarHBondContact O-N 2.68Å; S306-N310 PolarHBondContact O-ND2 2.97Å
307	I	89.9	Confident	86.7	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-62.3	-51	174.9	-62.5	177.6	0	0	0	109.8	V268 T294 L297 F298 L302 S303 V304 G309 N310 V311	V268-I307 HydrophobicContact CG1-CG2 3.97Å; V268-I307 HydrophobicContact CG2-CG2 4.25Å; T294-I307 HydrophobicContact CG2-CG2 4.41Å; L297-I307 HydrophobicContact CB-CD1 4.1Å; L297-I307 HydrophobicContact CB-CG1 3.97Å; L297-I307 HydrophobicContact CD1-CG2 4.33Å; F298-I307 HydrophobicContact CD1-CD1 3.43Å; F298-I307 VanDerWaalsContact CD1-CD1 3.43Å; F298-I307 HydrophobicContact CD2-CD1 4.28Å; F298-I307 HydrophobicContact CE1-CD1 3.57Å; F298-I307 HydrophobicContact CE2-CD1 4.37Å; F298-I307 HydrophobicContact CG-CD1 3.82Å; F298-I307 HydrophobicContact CZ-CD1 4.04Å; L302-I307 HydrophobicContact CB-CD1 4.3Å; L302-I307 HydrophobicContact CB-CG1 3.88Å; S303-I307 PolarHBondContact O-N 3.27Å; V304-I307 PolarHBondContact O-N 3.12Å; I307-G309 VanDerWaalsContact C-N 3.32Å; I307-G309 PolarHBondContact O-N 2.63Å; I307-N310 PolarHBondContact O-N 2.87Å; I307-V311 HydrophobicContact CG2-CG2 4.13Å; I307-V311 WeakPolarHBondContact O-CB 3.31Å; I307-V311 VanDerWaalsContact O-CG2 3.26Å; I307-V311 WeakPolarHBondContact O-CG2 3.4Å; I307-V311 PolarHBondContact O-N 2.86Å
308	V	92.4	Very high	87.4	Confident	9 Å²	9	42 Å²	42	6%	0.055	21%	0.208	C	C	.	.	H	α-helix	trans	-58.8	-43.2	177.7	173.5	0	0	0	0	111.1	F261 A264 Q265 V268 V304 V311 T312	F261-V308 HydrophobicContact CD1-CG1 3.79Å; F261-V308 HydrophobicContact CE1-CG1 4.24Å; A264-V308 HydrophobicContact CB-CG1 4.29Å; Q265-V308 HydrophobicContact CB-CG1 4.18Å; Q265-V308 HydrophobicContact CB-CG2 4.42Å; V268-V308 HydrophobicContact CB-CG2 4.05Å; V268-V308 HydrophobicContact CG1-CG2 4.02Å; V268-V308 HydrophobicContact CG2-CG2 4.21Å; V304-V308 HydrophobicContact CG1-CG2 4.34Å; V304-V308 WeakPolarHBondContact O-CG2 3.36Å; V304-V308 PolarHBondContact O-N 3.09Å; V308-V311 PolarHBondContact O-N 3.28Å; V308-T312 WeakPolarHBondContact O-CB 3.19Å; V308-T312 PolarHBondContact O-N 3.33Å; V308-T312 PolarHBondContact O-OG1 2.66Å
309	G	92.6	Very high	88.2	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-59.4	-48.3	176.6	0	0	0	0	0	113	Q305 S306 I307 E313	Q305-G309 PolarHBondContact O-N 3.14Å; S306-G309 PolarHBondContact O-N 3.09Å; I307-G309 VanDerWaalsContact C-N 3.32Å; I307-G309 PolarHBondContact O-N 2.63Å; G309-E313 PolarHBondContact O-N 3.48Å
310	N	92.3	Very high	88.9	Confident	1 Å²	1	31.3 Å²	31.3	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-67.5	-44.3	178.2	-79.9	-80.8	0	0	0	112.5	L126 L137 S306 I307 T312 E313 L314	L126-N310 PolarHBondContact N-OD1 3.04Å; L126-N310 VanDerWaalsContact N-OD1 3.08Å; L137-N310 WeakPolarHBondContact CD2-ND2 3.43Å; S306-N310 PolarHBondContact O-N 2.68Å; S306-N310 PolarHBondContact O-ND2 2.97Å; I307-N310 PolarHBondContact O-N 2.87Å; N310-T312 VanDerWaalsContact C-N 3.33Å; N310-T312 PolarHBondContact O-N 3.43Å; N310-E313 PolarHBondContact O-N 3.37Å; N310-L314 WeakPolarHBondContact O-CB 3.35Å; N310-L314 VanDerWaalsContact O-CG 3.22Å; N310-L314 WeakPolarHBondContact O-CG 3.46Å; N310-L314 PolarHBondContact O-N 3.36Å
311	V	92.9	Very high	89.7	Confident	1 Å²	1	27.8 Å²	27.8	1%	0.006	15%	0.152	C	C	.	.	H	α-helix	trans	-59.5	-45.4	176.8	168.7	0	0	0	0	110.4	L203 A264 V268 T294 I307 V308 E313 L314 L315	L203-V311 HydrophobicContact CD2-CG1 3.88Å; A264-V311 HydrophobicContact CB-CG1 4.14Å; V268-V311 HydrophobicContact CG2-CB 4.31Å; V268-V311 HydrophobicContact CG2-CG1 4.22Å; V268-V311 HydrophobicContact CG2-CG2 4.09Å; T294-V311 HydrophobicContact CG2-CG2 3.71Å; I307-V311 HydrophobicContact CG2-CG2 4.13Å; I307-V311 WeakPolarHBondContact O-CB 3.31Å; I307-V311 VanDerWaalsContact O-CG2 3.26Å; I307-V311 WeakPolarHBondContact O-CG2 3.4Å; I307-V311 PolarHBondContact O-N 2.86Å; V308-V311 PolarHBondContact O-N 3.28Å; V311-E313 PolarHBondContact O-N 3.36Å; V311-L314 PolarHBondContact O-N 3.36Å; V311-L315 HydrophobicContact CG1-CD1 3.82Å; V311-L315 HydrophobicContact CG1-CG 4.18Å; V311-L315 WeakPolarHBondContact O-CB 3.33Å; V311-L315 VanDerWaalsContact O-CG 3.23Å; V311-L315 WeakPolarHBondContact O-CG 3.44Å; V311-L315 PolarHBondContact O-N 3.06Å
312	T	94.4	Very high	90.6	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-59.5	-46.6	179.1	-52.1	0	0	0	0	111.5	W257 M260 F261 A264 V308 N310 L316	W257-T312 HydrophobicContact CE3-CG2 4.36Å; W257-T312 HydrophobicContact CZ3-CG2 3.99Å; M260-T312 HydrophobicContact CB-CG2 3.79Å; F261-T312 HydrophobicContact CD2-CG2 3.69Å; F261-T312 HydrophobicContact CE2-CG2 3.7Å; F261-T312 HydrophobicContact CG-CG2 4.3Å; F261-T312 HydrophobicContact CZ-CG2 4.4Å; A264-T312 WeakPolarHBondContact CB-OG1 3.24Å; V308-T312 WeakPolarHBondContact O-CB 3.19Å; V308-T312 PolarHBondContact O-N 3.33Å; V308-T312 PolarHBondContact O-OG1 2.66Å; N310-T312 VanDerWaalsContact C-N 3.33Å; N310-T312 PolarHBondContact O-N 3.43Å; T312-L316 WeakPolarHBondContact O-CB 3.29Å; T312-L316 PolarHBondContact O-N 3Å
313	E	93.4	Very high	91.3	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.005	11%	0.11	C	C	.	.	H	α-helix	trans	-72.4	-33.4	-178.5	-69.4	-176.3	-171.1	0	0	113	R117 G125 L126 L127 T128 W257 G309 N310 V311 A317	R117-E313 IonicContact NE-OE1 3.24Å; R117-E313 IonicContact NH2-OE1 2.77Å; R117-E313 PolarHBondContact NH2-OE1 3.01Å; G125-E313 WeakPolarHBondContact CA-OE2 3.46Å; G125-E313 PolarHBondContact N-OE1 2.86Å; G125-E313 PolarHBondContact N-OE2 2.89Å; L126-E313 PolarHBondContact N-OE2 3.15Å; L127-E313 WeakPolarHBondContact CA-OE2 3.22Å; L127-E313 VanDerWaalsContact CB-OE2 3.32Å; L127-E313 WeakPolarHBondContact CB-OE2 3.41Å; L127-E313 HydrophobicContact CD1-CB 4.22Å; L127-E313 PolarHBondContact N-OE2 3.12Å; T128-E313 WeakPolarHBondContact CB-OE1 3.44Å; T128-E313 PolarHBondContact N-OE2 3.33Å; T128-E313 VanDerWaalsContact N-OE2 3.15Å; T128-E313 PolarHBondContact OG1-OE1 3.02Å; W257-E313 HydrophobicContact CH2-CG 4.4Å; G309-E313 PolarHBondContact O-N 3.48Å; N310-E313 PolarHBondContact O-N 3.37Å; V311-E313 PolarHBondContact O-N 3.36Å; E313-A317 WeakPolarHBondContact O-CB 3.48Å; E313-A317 PolarHBondContact O-N 3.27Å
314	L	93.8	Very high	91.8	Very high	10 Å²	10	14.9 Å²	14.9	5%	0.052	9%	0.087	C	C	.	.	H	α-helix	trans	-71.2	-39.6	174.7	-69.6	172	0	0	0	112	L141 L202 L293 N310 V311 A317 G318 I456	L141-L314 HydrophobicContact CD1-CD1 4.44Å; L202-L314 HydrophobicContact CD1-CB 3.61Å; L202-L314 HydrophobicContact CD2-CB 4.16Å; L202-L314 HydrophobicContact CD2-CD1 3.88Å; L293-L314 HydrophobicContact CD2-CD1 3.6Å; N310-L314 WeakPolarHBondContact O-CB 3.35Å; N310-L314 VanDerWaalsContact O-CG 3.22Å; N310-L314 WeakPolarHBondContact O-CG 3.46Å; N310-L314 PolarHBondContact O-N 3.36Å; V311-L314 PolarHBondContact O-N 3.36Å; L314-A317 PolarHBondContact O-N 3.27Å; L314-G318 PolarHBondContact O-N 2.9Å; L314-I456 HydrophobicContact CD2-CG2 3.9Å
315	L	93.3	Very high	92.4	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-58.6	-52.9	171.3	-72.9	171.7	0	0	0	109.9	L195 I198 L202 F221 F263 A264 V311 A317 G318 V319	L195-L315 HydrophobicContact CD1-CD2 4.27Å; I198-L315 HydrophobicContact CG2-CD2 3.92Å; L202-L315 HydrophobicContact CD1-CD2 3.87Å; L202-L315 HydrophobicContact CD1-CG 3.88Å; F221-L315 HydrophobicContact CE1-CB 4.25Å; F221-L315 HydrophobicContact CE2-CD1 4.42Å; F221-L315 HydrophobicContact CZ-CB 3.69Å; F221-L315 HydrophobicContact CZ-CD1 4.19Å; F263-L315 HydrophobicContact CD1-CD1 4.22Å; F263-L315 HydrophobicContact CE1-CD1 4.24Å; A264-L315 HydrophobicContact CB-CD1 4.39Å; V311-L315 HydrophobicContact CG1-CD1 3.82Å; V311-L315 HydrophobicContact CG1-CG 4.18Å; V311-L315 WeakPolarHBondContact O-CB 3.33Å; V311-L315 VanDerWaalsContact O-CG 3.23Å; V311-L315 WeakPolarHBondContact O-CG 3.44Å; V311-L315 PolarHBondContact O-N 3.06Å; L315-A317 VanDerWaalsContact C-N 3.28Å; L315-A317 PolarHBondContact O-N 3.05Å; L315-G318 PolarHBondContact O-N 3.42Å; L315-G318 VanDerWaalsContact O-N 3.11Å; L315-V319 WeakPolarHBondContact O-CG2 3.49Å; L315-V319 PolarHBondContact O-N 3.07Å
316	L	92.8	Very high	92.9	Very high	1 Å²	1	6.4 Å²	6.4	1%	0.005	4%	0.044	C	C	.	.	H	α-helix	trans	-52.7	-45.3	176.9	173	66	0	0	0	112.1	W113 V225 V228 F229 W257 M260 T312	W113-L316 HydrophobicContact CH2-CD2 3.89Å; W113-L316 HydrophobicContact CZ2-CD2 4.44Å; W113-L316 HydrophobicContact CZ3-CD2 4.31Å; V225-L316 HydrophobicContact CB-CD1 4.13Å; V225-L316 HydrophobicContact CG1-CD1 3.74Å; V225-L316 HydrophobicContact CG2-CD1 3.84Å; V228-L316 HydrophobicContact CG1-CD1 3.8Å; F229-L316 HydrophobicContact CE1-CD1 4.49Å; F229-L316 HydrophobicContact CE2-CD1 3.86Å; F229-L316 HydrophobicContact CZ-CD1 3.78Å; F229-L316 HydrophobicContact CZ-CG 4.11Å; W257-L316 HydrophobicContact CH2-CD2 3.41Å; W257-L316 VanDerWaalsContact CH2-CD2 3.41Å; W257-L316 HydrophobicContact CZ2-CD2 3.95Å; W257-L316 HydrophobicContact CZ3-CD2 4.17Å; M260-L316 HydrophobicContact SD-CD1 3.99Å; T312-L316 WeakPolarHBondContact O-CB 3.29Å; T312-L316 PolarHBondContact O-N 3Å
317	A	91.8	Very high	93.3	Very high	33 Å²	33	5.8 Å²	5.8	27%	0.273	4%	0.04	S	C	.	.	H	α-helix	trans	-71	-29	-178.5	0	0	0	0	0	113.6	L127 E313 L314 L315 T321	L127-A317 HydrophobicContact CD2-CB 4.23Å; E313-A317 WeakPolarHBondContact O-CB 3.48Å; E313-A317 PolarHBondContact O-N 3.27Å; L314-A317 PolarHBondContact O-N 3.27Å; L315-A317 VanDerWaalsContact C-N 3.28Å; L315-A317 PolarHBondContact O-N 3.05Å; A317-T321 WeakPolarHBondContact O-CG2 3.45Å; A317-T321 PolarHBondContact O-OG1 2.62Å
318	G	90.3	Very high	93.7	Very high	10 Å²	10	5.9 Å²	5.9	10%	0.103	4%	0.04	C	C	.	.	H	α-helix	trans	-80.5	-29.2	-177	0	0	0	0	0	114.5	L314 L315	L314-G318 PolarHBondContact O-N 2.9Å; L315-G318 PolarHBondContact O-N 3.42Å; L315-G318 VanDerWaalsContact O-N 3.11Å
319	V	89	Confident	94	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-69	-66.9	-173.1	176.5	0	0	0	0	112.1	Y191 L195 F221 V225 L315 T321 S323	Y191-V319 HydrophobicContact CD1-CG1 4.47Å; L195-V319 HydrophobicContact CB-CG2 3.82Å; L195-V319 HydrophobicContact CD1-CG2 3.74Å; L195-V319 HydrophobicContact CG-CG2 4.32Å; F221-V319 HydrophobicContact CE1-CG2 4.29Å; V225-V319 HydrophobicContact CG1-CB 4.38Å; V225-V319 HydrophobicContact CG1-CG1 4.36Å; L315-V319 WeakPolarHBondContact O-CG2 3.49Å; L315-V319 PolarHBondContact O-N 3.07Å; V319-T321 VanDerWaalsContact C-N 3.31Å; V319-T321 PolarHBondContact O-N 2.79Å; V319-S323 VanDerWaalsContact O-CB 3.32Å; V319-S323 WeakPolarHBondContact O-CB 3.39Å; V319-S323 PolarHBondContact O-OG 3.03Å
320	D	88.6	Confident	94.3	Very high	3 Å²	3	5.4 Å²	5.4	2%	0.016	4%	0.038	C	C	.	.	H	α-helix	trans	-68.3	-32.4	-170.9	-91.6	29.9	0	0	0	112.4	F229 N324 R492 V494	F229-D320 HydrophobicContact CE2-CB 4.18Å; D320-N324 WeakPolarHBondContact O-CB 3.33Å; D320-N324 VanDerWaalsContact O-CG 3.27Å; D320-N324 PolarHBondContact O-N 3.17Å; D320-N324 PolarHBondContact O-ND2 3.23Å; D320-R492 IonicContact OD1-NH2 3.12Å; D320-R492 IonicContact OD2-CZ 3.97Å; D320-R492 IonicContact OD2-NE 2.74Å; D320-R492 IonicContact OD2-NH2 3.47Å; D320-R492 PolarHBondContact OD2-NH2 3.32Å; D320-V494 HydrophobicContact CB-CG2 4.48Å
321	T	93.2	Very high	94.6	Very high	42 Å²	42	6.2 Å²	6.2	26%	0.258	4%	0.041	S	C	.	.	H	α-helix	trans	-72.1	-52	-164.9	59.6	0	0	0	0	112.4	A317 V319 T325 V383	A317-T321 WeakPolarHBondContact O-CG2 3.45Å; A317-T321 PolarHBondContact O-OG1 2.62Å; V319-T321 VanDerWaalsContact C-N 3.31Å; V319-T321 PolarHBondContact O-N 2.79Å; T321-T325 PolarHBondContact O-N 3.37Å; T321-T325 PolarHBondContact O-OG1 3.45Å; T321-V383 HydrophobicContact CG2-CG1 3.75Å
322	V	95.1	Very high	94.8	Very high	4 Å²	4	6.7 Å²	6.7	2%	0.024	4%	0.043	C	C	.	.	H	α-helix	trans	-64.7	-44.5	176.2	173.8	0	0	0	0	110.1	F193 N324 T325 L326 A461 E464 L465	F193-V322 HydrophobicContact CE1-CG1 4.22Å; V322-N324 PolarHBondContact O-N 3.42Å; V322-T325 PolarHBondContact O-N 3.44Å; V322-L326 WeakPolarHBondContact O-CB 3.34Å; V322-L326 PolarHBondContact O-N 3.04Å; V322-A461 HydrophobicContact CG2-CB 3.93Å; V322-E464 HydrophobicContact CG1-CG 4.02Å; V322-L465 HydrophobicContact CG1-CD2 3.93Å; V322-L465 HydrophobicContact CG1-CG 4.21Å
323	S	94.9	Very high	95	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-61.4	-46.3	-176.8	-52.3	0	0	0	0	113.4	F190 Y191 V319 L326 S327	F190-S323 PolarHBondContact O-OG 2.75Å; Y191-S323 WeakPolarHBondContact CA-OG 3.42Å; Y191-S323 PolarHBondContact N-OG 3.1Å; V319-S323 VanDerWaalsContact O-CB 3.32Å; V319-S323 WeakPolarHBondContact O-CB 3.39Å; V319-S323 PolarHBondContact O-OG 3.03Å; S323-L326 PolarHBondContact O-N 3.49Å; S323-S327 WeakPolarHBondContact O-CB 3.31Å; S323-S327 PolarHBondContact O-N 3.46Å; S323-S327 PolarHBondContact O-OG 3.35Å
324	N	95.3	Very high	95.2	Very high	1 Å²	1	6.9 Å²	6.9	1%	0.005	4%	0.044	C	C	.	.	H	α-helix	trans	-66.2	-40.4	176.8	-73.1	-53.8	0	0	0	110.9	Y191 D320 V322 S327 W328	Y191-N324 PolarHBondContact OH-OD1 2.95Å; Y191-N324 VanDerWaalsContact OH-OD1 3.09Å; D320-N324 WeakPolarHBondContact O-CB 3.33Å; D320-N324 VanDerWaalsContact O-CG 3.27Å; D320-N324 PolarHBondContact O-N 3.17Å; D320-N324 PolarHBondContact O-ND2 3.23Å; V322-N324 PolarHBondContact O-N 3.42Å; N324-S327 WeakPolarHBondContact O-CB 3.4Å; N324-S327 PolarHBondContact O-N 2.89Å; N324-W328 PolarHBondContact O-N 3.36Å
325	T	97.9	Very high	95.4	Very high	5 Å²	5	11.9 Å²	11.9	3%	0.031	6%	0.063	C	C	.	.	H	α-helix	trans	-63.2	-44.1	177.8	-52.7	0	0	0	0	111.2	T321 V322 W328 T329 V377 L378 V383 L465	T321-T325 PolarHBondContact O-N 3.37Å; T321-T325 PolarHBondContact O-OG1 3.45Å; V322-T325 PolarHBondContact O-N 3.44Å; T325-W328 PolarHBondContact O-N 3.22Å; T325-T329 WeakPolarHBondContact O-CB 3.24Å; T325-T329 PolarHBondContact O-N 3.18Å; T325-T329 PolarHBondContact O-OG1 3.39Å; T325-V377 HydrophobicContact CG2-CG1 4.39Å; T325-L378 HydrophobicContact CG2-CD2 3.75Å; T325-L378 HydrophobicContact CG2-CG 3.97Å; T325-V383 VanDerWaalsContact OG1-CG2 3.25Å; T325-V383 WeakPolarHBondContact OG1-CG2 3.44Å; T325-L465 HydrophobicContact CG2-CD1 3.66Å; T325-L465 HydrophobicContact CG2-CD2 3.99Å
326	L	98.1	Very high	95.6	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-63.4	-43.2	176.5	-175	58.6	0	0	0	111.4	L165 F190 F193 V322 S323 T329 L330 L465 A468 L469 I472	L165-L326 HydrophobicContact CD2-CD2 4.31Å; F190-L326 HydrophobicContact CB-CD2 4.42Å; F190-L326 HydrophobicContact CD1-CD2 3.66Å; F190-L326 HydrophobicContact CD1-CG 4.38Å; F190-L326 HydrophobicContact CD2-CB 4.16Å; F190-L326 HydrophobicContact CD2-CD2 4.04Å; F190-L326 HydrophobicContact CD2-CG 3.9Å; F190-L326 HydrophobicContact CE1-CD2 3.89Å; F190-L326 HydrophobicContact CE1-CG 4.4Å; F190-L326 HydrophobicContact CE2-CD2 4.25Å; F190-L326 HydrophobicContact CE2-CG 3.93Å; F190-L326 HydrophobicContact CG-CB 4.48Å; F190-L326 HydrophobicContact CG-CD2 3.77Å; F190-L326 HydrophobicContact CG-CG 4.16Å; F190-L326 HydrophobicContact CZ-CD2 4.2Å; F190-L326 HydrophobicContact CZ-CG 4.2Å; F193-L326 HydrophobicContact CD1-CD2 4.16Å; F193-L326 HydrophobicContact CE1-CD2 4.22Å; V322-L326 WeakPolarHBondContact O-CB 3.34Å; V322-L326 PolarHBondContact O-N 3.04Å; S323-L326 PolarHBondContact O-N 3.49Å; L326-T329 PolarHBondContact O-N 3.4Å; L326-L330 HydrophobicContact CD1-CD1 4.42Å; L326-L330 HydrophobicContact CD1-CG 4.41Å; L326-L330 PolarHBondContact O-N 3.42Å; L326-L465 HydrophobicContact CB-CD2 4.01Å; L326-A468 HydrophobicContact CD1-CB 4.28Å; L326-A468 HydrophobicContact CD2-CB 4.07Å; L326-L469 HydrophobicContact CD1-CD2 3.61Å; L326-L469 HydrophobicContact CD1-CG 3.83Å; L326-I472 HydrophobicContact CD1-CD1 4.44Å; L326-I472 HydrophobicContact CD2-CD1 4.46Å
327	S	97.8	Very high	95.8	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-57.4	-52	176.6	-56.2	0	0	0	0	111.8	A187 F190 S323 N324 T329 L330 Y331	A187-S327 WeakPolarHBondContact CA-OG 3.16Å; F190-S327 WeakPolarHBondContact CD2-OG 3.42Å; S323-S327 WeakPolarHBondContact O-CB 3.31Å; S323-S327 PolarHBondContact O-N 3.46Å; S323-S327 PolarHBondContact O-OG 3.35Å; N324-S327 WeakPolarHBondContact O-CB 3.4Å; N324-S327 PolarHBondContact O-N 2.89Å; S327-T329 VanDerWaalsContact C-N 3.3Å; S327-T329 PolarHBondContact O-N 3.47Å; S327-L330 PolarHBondContact O-N 3.16Å; S327-Y331 VanDerWaalsContact O-CB 3.26Å; S327-Y331 WeakPolarHBondContact O-CB 3.07Å; S327-Y331 PolarHBondContact O-N 2.87Å
328	W	98.3	Very high	96.1	Very high	2 Å²	2	21.2 Å²	21.2	1%	0.008	11%	0.107	C	C	.	.	H	α-helix	trans	-66	-33.3	178.6	-74.8	118.8	0	0	0	112.5	N324 T325 Y331 E332 V377 Y381 V487 P489 P497 I501	N324-W328 PolarHBondContact O-N 3.36Å; T325-W328 PolarHBondContact O-N 3.22Å; W328-Y331 AromaticContact CE3-CD1 3.78Å; W328-Y331 HydrophobicContact CE3-CD1 3.78Å; W328-Y331 HydrophobicContact CE3-CE1 4.42Å; W328-Y331 HydrophobicContact CE3-CG 4.31Å; W328-Y331 AromaticContact CZ3-CD1 3.84Å; W328-Y331 HydrophobicContact CZ3-CD1 3.84Å; W328-Y331 HydrophobicContact CZ3-CE1 4.03Å; W328-Y331 HydrophobicContact CZ3-CG 4.48Å; W328-Y331 PolarHBondContact O-N 3.25Å; W328-E332 WeakPolarHBondContact O-CG 3.44Å; W328-E332 PolarHBondContact O-N 3.12Å; W328-V377 HydrophobicContact CB-CG1 3.66Å; W328-Y381 HydrophobicContact CB-CD2 3.74Å; W328-Y381 HydrophobicContact CB-CE2 4.36Å; W328-Y381 HydrophobicContact CB-CG 4.02Å; W328-Y381 AromaticContact CD1-CG 3.97Å; W328-Y381 AromaticContact CD2-CD1 3.59Å; W328-Y381 HydrophobicContact CD2-CD1 3.59Å; W328-Y381 AromaticContact CD2-CD2 3.92Å; W328-Y381 HydrophobicContact CD2-CD2 3.92Å; W328-Y381 AromaticContact CD2-CE1 3.91Å; W328-Y381 HydrophobicContact CD2-CE1 3.91Å; W328-Y381 HydrophobicContact CD2-CE2 4.2Å; W328-Y381 AromaticContact CD2-CG 3.59Å; W328-Y381 HydrophobicContact CD2-CG 3.59Å; W328-Y381 AromaticContact CE2-CD1 3.67Å; W328-Y381 AromaticContact CE2-CG 3.98Å; W328-Y381 AromaticContact CE3-CD1 3.75Å; W328-Y381 HydrophobicContact CE3-CD1 3.75Å; W328-Y381 HydrophobicContact CE3-CD2 4.01Å; W328-Y381 AromaticContact CE3-CE1 3.53Å; W328-Y381 HydrophobicContact CE3-CE1 3.53Å; W328-Y381 AromaticContact CE3-CE2 3.79Å; W328-Y381 HydrophobicContact CE3-CE2 3.79Å; W328-Y381 AromaticContact CE3-CG 3.98Å; W328-Y381 HydrophobicContact CE3-CG 3.98Å; W328-Y381 AromaticContact CE3-CZ 3.54Å; W328-Y381 HydrophobicContact CG-CD1 4.11Å; W328-Y381 AromaticContact CG-CD2 3.83Å; W328-Y381 HydrophobicContact CG-CD2 3.83Å; W328-Y381 HydrophobicContact CG-CE2 4.47Å; W328-Y381 AromaticContact CG-CG 3.61Å; W328-Y381 HydrophobicContact CG-CG 3.61Å; W328-Y381 HydrophobicContact CH2-CD1 4.07Å; W328-Y381 AromaticContact CH2-CE1 3.8Å; W328-Y381 HydrophobicContact CH2-CE1 3.8Å; W328-Y381 AromaticContact CZ2-CD1 3.92Å; W328-Y381 HydrophobicContact CZ2-CD1 3.92Å; W328-Y381 HydrophobicContact CZ2-CE1 4.14Å; W328-Y381 AromaticContact CZ3-CD1 3.99Å; W328-Y381 HydrophobicContact CZ3-CD1 3.99Å; W328-Y381 AromaticContact CZ3-CE1 3.48Å; W328-Y381 HydrophobicContact CZ3-CE1 3.48Å; W328-Y381 VanDerWaalsContact CZ3-CE1 3.48Å; W328-Y381 HydrophobicContact CZ3-CE2 4.43Å; W328-Y381 AromaticContact CZ3-CZ 3.72Å; W328-V487 HydrophobicContact CH2-CB 4.34Å; W328-V487 HydrophobicContact CH2-CG1 3.91Å; W328-V487 HydrophobicContact CZ3-CB 4.39Å; W328-V487 HydrophobicContact CZ3-CG1 4.37Å; W328-P489 HydrophobicContact CH2-CB 4.5Å; W328-P489 HydrophobicContact CZ2-CB 4.07Å; W328-P497 HydrophobicContact CH2-CB 4.46Å; W328-P497 HydrophobicContact CZ2-CB 4.07Å; W328-P497 HydrophobicContact CZ2-CG 3.9Å; W328-I501 HydrophobicContact CE3-CD1 4.38Å
329	T	98.6	Very high	96.5	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-64.3	-51.2	176.7	-54.6	0	0	0	0	111.2	T325 L326 S327 Y331 E332 L333 V373 V377 L469	T325-T329 WeakPolarHBondContact O-CB 3.24Å; T325-T329 PolarHBondContact O-N 3.18Å; T325-T329 PolarHBondContact O-OG1 3.39Å; L326-T329 PolarHBondContact O-N 3.4Å; S327-T329 VanDerWaalsContact C-N 3.3Å; S327-T329 PolarHBondContact O-N 3.47Å; T329-Y331 VanDerWaalsContact C-N 3.29Å; T329-Y331 PolarHBondContact O-N 3.28Å; T329-E332 PolarHBondContact O-N 2.85Å; T329-L333 HydrophobicContact CG2-CD1 3.9Å; T329-L333 HydrophobicContact CG2-CG 4.34Å; T329-L333 WeakPolarHBondContact O-CB 3.33Å; T329-L333 VanDerWaalsContact O-CG 3.28Å; T329-L333 WeakPolarHBondContact O-CG 3.35Å; T329-L333 PolarHBondContact O-N 3.45Å; T329-V373 HydrophobicContact CG2-CG1 3.69Å; T329-V377 HydrophobicContact CG2-CG2 4.13Å; T329-L469 HydrophobicContact CG2-CD1 3.81Å; T329-L469 HydrophobicContact CG2-CD2 3.58Å; T329-L469 HydrophobicContact CG2-CG 4.36Å
330	L	98.6	Very high	97	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-68.3	-32	179	-65	179.8	0	0	0	112.2	F190 L326 S327 S334 L469 I472 V478 L503 F505	F190-L330 HydrophobicContact CE2-CD1 3.74Å; F190-L330 HydrophobicContact CZ-CD1 3.42Å; F190-L330 VanDerWaalsContact CZ-CD1 3.42Å; L326-L330 HydrophobicContact CD1-CD1 4.42Å; L326-L330 HydrophobicContact CD1-CG 4.41Å; L326-L330 PolarHBondContact O-N 3.42Å; S327-L330 PolarHBondContact O-N 3.16Å; L330-S334 VanDerWaalsContact O-CB 3.3Å; L330-S334 WeakPolarHBondContact O-CB 3.37Å; L330-S334 PolarHBondContact O-N 3.1Å; L330-S334 PolarHBondContact O-OG 2.78Å; L330-L469 HydrophobicContact CD2-CD2 3.82Å; L330-L469 HydrophobicContact CG-CD2 4.33Å; L330-I472 HydrophobicContact CD1-CD1 4.03Å; L330-I472 HydrophobicContact CD1-CG2 4.28Å; L330-I472 HydrophobicContact CD2-CG2 4.1Å; L330-V478 HydrophobicContact CD2-CG2 4.32Å; L330-L503 HydrophobicContact CB-CD1 3.67Å; L330-F505 HydrophobicContact CD1-CE1 4.25Å; L330-F505 HydrophobicContact CD1-CZ 4.29Å
331	Y	98.3	Very high	97.4	Very high	18 Å²	18	24.9 Å²	24.9	7%	0.071	13%	0.129	C	C	.	.	H	α-helix	trans	-58.1	-51.8	171.5	179.5	-104	0	0	0	111.9	S327 W328 T329 S334 R335 P486 V487 I501	S327-Y331 VanDerWaalsContact O-CB 3.26Å; S327-Y331 WeakPolarHBondContact O-CB 3.07Å; S327-Y331 PolarHBondContact O-N 2.87Å; W328-Y331 AromaticContact CE3-CD1 3.78Å; W328-Y331 HydrophobicContact CE3-CD1 3.78Å; W328-Y331 HydrophobicContact CE3-CE1 4.42Å; W328-Y331 HydrophobicContact CE3-CG 4.31Å; W328-Y331 AromaticContact CZ3-CD1 3.84Å; W328-Y331 HydrophobicContact CZ3-CD1 3.84Å; W328-Y331 HydrophobicContact CZ3-CE1 4.03Å; W328-Y331 HydrophobicContact CZ3-CG 4.48Å; W328-Y331 PolarHBondContact O-N 3.25Å; T329-Y331 VanDerWaalsContact C-N 3.29Å; T329-Y331 PolarHBondContact O-N 3.28Å; Y331-S334 PolarHBondContact O-N 3.38Å; Y331-S334 PolarHBondContact O-OG 3.33Å; Y331-R335 WeakPolarHBondContact O-CG 3.48Å; Y331-R335 PolarHBondContact OH-NH1 3.16Å; Y331-P486 WeakPolarHBondContact OH-CA 3.4Å; Y331-V487 HydrophobicContact CE2-CB 4.09Å; Y331-V487 HydrophobicContact CE2-CG2 3.78Å; Y331-V487 PolarHBondContact OH-N 2.79Å; Y331-I501 HydrophobicContact CD2-CD1 4.46Å; Y331-I501 HydrophobicContact CD2-CG1 4.38Å; Y331-I501 HydrophobicContact CD2-CG2 3.95Å; Y331-I501 HydrophobicContact CG-CD1 4.4Å
332	E	98.3	Very high	97.6	Very high	10 Å²	10	25 Å²	25	5%	0.047	13%	0.134	C	C	.	.	H	α-helix	trans	-65.5	-44.6	177.8	-70.2	-57.9	158.1	0	0	111.9	W328 T329 S334 R335 H336 Y381 F428	W328-E332 WeakPolarHBondContact O-CG 3.44Å; W328-E332 PolarHBondContact O-N 3.12Å; T329-E332 PolarHBondContact O-N 2.85Å; E332-S334 VanDerWaalsContact C-N 3.29Å; E332-S334 PolarHBondContact O-N 3.49Å; E332-R335 PolarHBondContact O-N 3.02Å; E332-H336 PolarHBondContact O-N 2.9Å; E332-H336 PolarHBondContact O-ND1 3.05Å; E332-H336 IonicContact OE2-CE1 3.24Å; E332-H336 PolarHBondContact OE2-CE1 2.88Å; E332-H336 VanDerWaalsContact OE2-CE1 3.32Å; E332-H336 IonicContact OE2-ND1 3.3Å; E332-Y381 HydrophobicContact CG-CE2 3.87Å; E332-Y381 VanDerWaalsContact OE1-CE2 3.23Å; E332-Y381 WeakPolarHBondContact OE1-CE2 3.3Å; E332-Y381 VanDerWaalsContact OE1-CZ 3.26Å; E332-Y381 PolarHBondContact OE1-OH 3.38Å; E332-F428 HydrophobicContact CB-CD1 4Å; E332-F428 HydrophobicContact CB-CD2 3.94Å; E332-F428 HydrophobicContact CB-CE1 4.04Å; E332-F428 HydrophobicContact CB-CE2 4.03Å; E332-F428 HydrophobicContact CB-CG 3.93Å; E332-F428 HydrophobicContact CB-CZ 4.06Å; E332-F428 HydrophobicContact CG-CB 4.43Å; E332-F428 HydrophobicContact CG-CD2 3.95Å; E332-F428 HydrophobicContact CG-CE2 4.38Å; E332-F428 HydrophobicContact CG-CG 4.09Å
333	L	98.5	Very high	97.7	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-63.5	-32.9	179.7	-70.7	177.7	0	0	0	113.2	T329 R335 H336 I339 Q340 L343 V373 F428 L473	T329-L333 HydrophobicContact CG2-CD1 3.9Å; T329-L333 HydrophobicContact CG2-CG 4.34Å; T329-L333 WeakPolarHBondContact O-CB 3.33Å; T329-L333 VanDerWaalsContact O-CG 3.28Å; T329-L333 WeakPolarHBondContact O-CG 3.35Å; T329-L333 PolarHBondContact O-N 3.45Å; L333-R335 PolarHBondContact O-N 3.45Å; L333-H336 CarbonylContact O-C 3.1Å; L333-H336 PolarHBondContact O-N 3.28Å; L333-I339 HydrophobicContact CD2-CB 4.45Å; L333-I339 HydrophobicContact CD2-CG2 3.83Å; L333-Q340 HydrophobicContact CB-CB 4.44Å; L333-Q340 HydrophobicContact CB-CG 4.33Å; L333-Q340 PolarHBondContact O-NE2 3.01Å; L333-L343 HydrophobicContact CD1-CD1 3.69Å; L333-L343 HydrophobicContact CD2-CD1 3.58Å; L333-L343 HydrophobicContact CG-CD1 4.3Å; L333-V373 HydrophobicContact CD1-CG1 4.46Å; L333-V373 HydrophobicContact CD2-CG1 4.25Å; L333-V373 HydrophobicContact CG-CG1 4.48Å; L333-F428 HydrophobicContact CD2-CE1 4.39Å; L333-F428 HydrophobicContact CD2-CZ 4.39Å; L333-L473 HydrophobicContact CD1-CD1 4.04Å; L333-L473 HydrophobicContact CD1-CD2 4.35Å
334	S	97.9	Very high	97.7	Very high	6 Å²	6	27 Å²	27	4%	0.042	14%	0.143	C	C	.	.	H	α-helix	trans	-63	-27.5	174.9	76.7	0	0	0	0	112.4	L330 Y331 E332 V478 P480	L330-S334 VanDerWaalsContact O-CB 3.3Å; L330-S334 WeakPolarHBondContact O-CB 3.37Å; L330-S334 PolarHBondContact O-N 3.1Å; L330-S334 PolarHBondContact O-OG 2.78Å; Y331-S334 PolarHBondContact O-N 3.38Å; Y331-S334 PolarHBondContact O-OG 3.33Å; E332-S334 VanDerWaalsContact C-N 3.29Å; E332-S334 PolarHBondContact O-N 3.49Å; S334-V478 WeakPolarHBondContact CA-O 3.3Å; S334-P480 VanDerWaalsContact O-CD 3.31Å; S334-P480 WeakPolarHBondContact O-CD 3.33Å
335	R	96.8	Very high	97.8	Very high	115 Å²	115	30.3 Å²	30.3	43%	0.434	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-4.3	-177.4	-63	175.3	59.6	-179.3	-7.9	113.6	Y331 E332 L333	Y331-R335 WeakPolarHBondContact O-CG 3.48Å; Y331-R335 PolarHBondContact OH-NH1 3.16Å; E332-R335 PolarHBondContact O-N 3.02Å; L333-R335 PolarHBondContact O-N 3.45Å
336	H	98	Very high	97.6	Very high	41 Å²	41	32.2 Å²	32.2	19%	0.19	18%	0.175	C	C	.	.			trans	-132.8	71.2	-177.6	-61.4	88.1	0	0	0	109.6	E332 L333 E338 I339 Q340 F428	E332-H336 PolarHBondContact O-N 2.9Å; E332-H336 PolarHBondContact O-ND1 3.05Å; E332-H336 IonicContact OE2-CE1 3.24Å; E332-H336 PolarHBondContact OE2-CE1 2.88Å; E332-H336 VanDerWaalsContact OE2-CE1 3.32Å; E332-H336 IonicContact OE2-ND1 3.3Å; L333-H336 CarbonylContact O-C 3.1Å; L333-H336 PolarHBondContact O-N 3.28Å; H336-E338 WeakPolarHBondContact CB-OE1 3.26Å; H336-E338 IonicContact CD2-OE1 2.63Å; H336-E338 IonicContact CG-OE1 3.9Å; H336-E338 PolarHBondContact O-N 2.97Å; H336-I339 HydrophobicContact CB-CB 4.17Å; H336-I339 HydrophobicContact CB-CD1 3.89Å; H336-I339 HydrophobicContact CB-CG1 4.16Å; H336-I339 PolarHBondContact O-N 3.3Å; H336-I339 VanDerWaalsContact O-N 3.1Å; H336-Q340 PolarHBondContact O-N 3.4Å; H336-F428 HydrophobicContact CB-CD1 4.34Å; H336-F428 HydrophobicContact CB-CE1 4.43Å; H336-F428 AromaticContact CE1-CD1 3.71Å; H336-F428 AromaticContact CG-CD1 3.75Å; H336-F428 AromaticContact ND1-CD1 3.49Å; H336-F428 WeakPolarHBondContact ND1-CD1 3.32Å
337	P	97.4	Very high	97.3	Very high	75 Å²	75	32.2 Å²	32.2	49%	0.487	18%	0.175	S	C	.	.	H	α-helix	trans	-58.8	-31.7	-173.3	23.9	-34.5	0	0	0	113.2	Q340 S341	P337-Q340 PolarHBondContact O-N 3.27Å; P337-S341 VanDerWaalsContact O-CB 3.3Å; P337-S341 WeakPolarHBondContact O-CB 3.45Å; P337-S341 PolarHBondContact O-N 2.99Å
338	E	98.1	Very high	97	Very high	113 Å²	113	35.3 Å²	35.3	53%	0.528	19%	0.194	S	C	.	.	H	α-helix	trans	-63.4	-43	175.9	69.2	-65.8	159.3	0	0	112.4	H336 A342	H336-E338 WeakPolarHBondContact CB-OE1 3.26Å; H336-E338 IonicContact CD2-OE1 2.63Å; H336-E338 IonicContact CG-OE1 3.9Å; H336-E338 PolarHBondContact O-N 2.97Å; E338-A342 WeakPolarHBondContact O-CB 3.38Å; E338-A342 PolarHBondContact O-N 3.44Å
339	I	98.2	Very high	96.5	Very high	25 Å²	25	38.7 Å²	38.7	13%	0.128	22%	0.222	C	C	.	.	H	α-helix	trans	-70	-41	176.6	-60.3	175.6	0	0	0	109.8	L333 H336 S341 A342 L343 V373 F428 P430	L333-I339 HydrophobicContact CD2-CB 4.45Å; L333-I339 HydrophobicContact CD2-CG2 3.83Å; H336-I339 HydrophobicContact CB-CB 4.17Å; H336-I339 HydrophobicContact CB-CD1 3.89Å; H336-I339 HydrophobicContact CB-CG1 4.16Å; H336-I339 PolarHBondContact O-N 3.3Å; H336-I339 VanDerWaalsContact O-N 3.1Å; I339-S341 VanDerWaalsContact C-N 3.35Å; I339-S341 PolarHBondContact O-N 3.27Å; I339-A342 PolarHBondContact O-N 3.36Å; I339-L343 PolarHBondContact O-N 3.19Å; I339-V373 HydrophobicContact CG2-CG2 3.99Å; I339-F428 HydrophobicContact CD1-CD1 3.81Å; I339-F428 HydrophobicContact CD1-CE1 3.61Å; I339-F428 HydrophobicContact CG2-CE1 4.21Å; I339-P430 HydrophobicContact CD1-CG 4.12Å; I339-P430 HydrophobicContact CG2-CG 4.16Å
340	Q	98.5	Very high	95.8	Very high	2 Å²	2	40 Å²	40	1%	0.009	23%	0.233	C	C	.	.	H	α-helix	trans	-62.5	-42.2	177.8	-164.2	-171	137.3	0	0	111.7	L333 H336 P337 L343 H344 L473 V478 R508	L333-Q340 HydrophobicContact CB-CB 4.44Å; L333-Q340 HydrophobicContact CB-CG 4.33Å; L333-Q340 PolarHBondContact O-NE2 3.01Å; H336-Q340 PolarHBondContact O-N 3.4Å; P337-Q340 PolarHBondContact O-N 3.27Å; Q340-L343 PolarHBondContact O-N 3.27Å; Q340-H344 PolarHBondContact O-N 2.96Å; Q340-L473 HydrophobicContact CG-CD2 3.81Å; Q340-V478 PolarHBondContact NE2-O 2.87Å; Q340-R508 VanDerWaalsContact OE1-NH2 3.15Å
341	S	98	Very high	94.7	Very high	63 Å²	63	43.3 Å²	43.3	44%	0.441	25%	0.249	S	C	.	.	H	α-helix	trans	-64	-45.2	176.4	-174	0	0	0	0	111.5	P337 I339 L343 H344 S345	P337-S341 VanDerWaalsContact O-CB 3.3Å; P337-S341 WeakPolarHBondContact O-CB 3.45Å; P337-S341 PolarHBondContact O-N 2.99Å; I339-S341 VanDerWaalsContact C-N 3.35Å; I339-S341 PolarHBondContact O-N 3.27Å; S341-L343 VanDerWaalsContact C-N 3.35Å; S341-L343 PolarHBondContact O-N 2.95Å; S341-H344 WeakPolarHBondContact O-CB 3.36Å; S341-H344 PolarHBondContact O-N 3.41Å; S341-S345 PolarHBondContact O-N 3.48Å; S341-S345 PolarHBondContact O-OG 3.43Å
342	A	97.4	Very high	93.4	Very high	45 Å²	45	44.5 Å²	44.5	37%	0.372	26%	0.263	S	S	.	.	H	α-helix	trans	-62	-40.1	176.2	0	0	0	0	0	112.6	E338 I339 S345 E346 L369	E338-A342 WeakPolarHBondContact O-CB 3.38Å; E338-A342 PolarHBondContact O-N 3.44Å; I339-A342 PolarHBondContact O-N 3.36Å; A342-S345 PolarHBondContact O-N 3.38Å; A342-E346 PolarHBondContact O-N 3.28Å; A342-L369 HydrophobicContact CB-CD2 3.65Å
343	L	96.6	Very high	91.1	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.005	31%	0.305	C	S	.	.	H	α-helix	trans	-62.5	-46.5	173	-82.9	179.8	0	0	0	112.1	L333 I339 Q340 S341 S345 E346 I347 L369 L370 V373 L473	L333-L343 HydrophobicContact CD1-CD1 3.69Å; L333-L343 HydrophobicContact CD2-CD1 3.58Å; L333-L343 HydrophobicContact CG-CD1 4.3Å; I339-L343 PolarHBondContact O-N 3.19Å; Q340-L343 PolarHBondContact O-N 3.27Å; S341-L343 VanDerWaalsContact C-N 3.35Å; S341-L343 PolarHBondContact O-N 2.95Å; L343-S345 VanDerWaalsContact C-N 3.3Å; L343-S345 PolarHBondContact O-N 2.9Å; L343-E346 PolarHBondContact O-N 2.92Å; L343-I347 HydrophobicContact CB-CD1 4.48Å; L343-I347 WeakPolarHBondContact O-CB 3.38Å; L343-I347 WeakPolarHBondContact O-CD1 3.29Å; L343-I347 VanDerWaalsContact O-CG1 3.24Å; L343-I347 WeakPolarHBondContact O-CG1 3.21Å; L343-I347 PolarHBondContact O-N 3.02Å; L343-L369 HydrophobicContact CD2-CB 4.05Å; L343-L369 HydrophobicContact CD2-CD2 3.91Å; L343-L369 HydrophobicContact CD2-CG 3.61Å; L343-L369 HydrophobicContact CG-CD2 3.99Å; L343-L369 HydrophobicContact CG-CG 4.1Å; L343-L370 VanDerWaalsContact CD2-CA 3.5Å; L343-L370 HydrophobicContact CD2-CB 4.05Å; L343-L370 HydrophobicContact CD2-CD1 4.45Å; L343-V373 HydrophobicContact CD1-CB 4.41Å; L343-V373 HydrophobicContact CD1-CG1 4.29Å; L343-V373 HydrophobicContact CD1-CG2 3.98Å; L343-V373 HydrophobicContact CD2-CG2 4.25Å; L343-V373 HydrophobicContact CG-CG2 4.31Å; L343-L473 HydrophobicContact CB-CD1 4.11Å; L343-L473 HydrophobicContact CD1-CD1 3.84Å
344	H	96.3	Very high	88.9	Confident	46 Å²	46	54.8 Å²	54.8	21%	0.213	35%	0.346	C	S	.	.	H	α-helix	trans	-56	-48.2	176.8	174.6	-99.6	0	0	0	110.3	Q340 S341 E346 I347 T348 L473	Q340-H344 PolarHBondContact O-N 2.96Å; S341-H344 WeakPolarHBondContact O-CB 3.36Å; S341-H344 PolarHBondContact O-N 3.41Å; H344-E346 PolarHBondContact O-N 3.2Å; H344-I347 PolarHBondContact O-N 3.5Å; H344-T348 PolarHBondContact CE1-OG1 3.26Å; H344-T348 PolarHBondContact NE2-OG1 3.36Å; H344-T348 WeakPolarHBondContact O-CB 3.44Å; H344-T348 PolarHBondContact O-N 3.1Å; H344-T348 PolarHBondContact O-OG1 2.92Å; H344-L473 PolarHBondContact CD2-O 2.94Å; H344-L473 VanDerWaalsContact CD2-O 3.23Å
345	S	95.4	Very high	86.8	Confident	69 Å²	69	57.4 Å²	57.4	48%	0.483	36%	0.364	S	S	.	.	H	α-helix	trans	-59.2	-43.9	174.8	-63.7	0	0	0	0	113.4	S341 A342 L343 I347 A349	S341-S345 PolarHBondContact O-N 3.48Å; S341-S345 PolarHBondContact O-OG 3.43Å; A342-S345 PolarHBondContact O-N 3.38Å; L343-S345 VanDerWaalsContact C-N 3.3Å; L343-S345 PolarHBondContact O-N 2.9Å; S345-I347 VanDerWaalsContact C-N 3.34Å; S345-I347 PolarHBondContact O-N 2.99Å; S345-A349 VanDerWaalsContact O-CB 3.23Å; S345-A349 WeakPolarHBondContact O-CB 3.49Å; S345-A349 PolarHBondContact O-N 2.92Å
346	E	94.8	Very high	84.4	Confident	46 Å²	46	55 Å²	55	22%	0.215	38%	0.375	C	S	.	.	H	α-helix	trans	-60.2	-43.4	176.4	-172.2	-175.6	-128.7	0	0	111.3	A342 L343 H344 A350 L367 R368 L369 L370	A342-E346 PolarHBondContact O-N 3.28Å; L343-E346 PolarHBondContact O-N 2.92Å; H344-E346 PolarHBondContact O-N 3.2Å; E346-A350 PolarHBondContact O-N 3.43Å; E346-L367 HydrophobicContact CG-CB 4.31Å; E346-L367 HydrophobicContact CG-CD2 4.05Å; E346-L367 WeakPolarHBondContact OE2-CB 3.34Å; E346-R368 PolarHBondContact OE1-N 2.98Å; E346-L369 PolarHBondContact OE1-N 3.43Å; E346-L369 WeakPolarHBondContact OE2-CB 3.49Å; E346-L369 PolarHBondContact OE2-N 2.98Å; E346-L370 PolarHBondContact OE2-N 3.48Å
347	I	92.6	Very high	81.6	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	40%	0.403	C	S	.	.	H	α-helix	trans	-69.1	-51	-180	-67.4	157.7	0	0	0	110.7	L343 H344 S345 A349 A350 M351 L367 A470 L473 T474	L343-I347 HydrophobicContact CB-CD1 4.48Å; L343-I347 WeakPolarHBondContact O-CB 3.38Å; L343-I347 WeakPolarHBondContact O-CD1 3.29Å; L343-I347 VanDerWaalsContact O-CG1 3.24Å; L343-I347 WeakPolarHBondContact O-CG1 3.21Å; L343-I347 PolarHBondContact O-N 3.02Å; H344-I347 PolarHBondContact O-N 3.5Å; S345-I347 VanDerWaalsContact C-N 3.34Å; S345-I347 PolarHBondContact O-N 2.99Å; I347-A349 VanDerWaalsContact C-N 3.29Å; I347-A349 PolarHBondContact O-N 2.99Å; I347-A350 PolarHBondContact O-N 3.49Å; I347-A350 VanDerWaalsContact O-N 3.13Å; I347-M351 HydrophobicContact CG2-CG 4.29Å; I347-M351 WeakPolarHBondContact O-CB 3.31Å; I347-M351 WeakPolarHBondContact O-CG 3.38Å; I347-M351 PolarHBondContact O-N 3.42Å; I347-M351 VanDerWaalsContact O-N 3.09Å; I347-L367 HydrophobicContact CG1-CD1 3.96Å; I347-A470 HydrophobicContact CG2-CB 4.13Å; I347-L473 HydrophobicContact CD1-CB 4.03Å; I347-L473 HydrophobicContact CD1-CD1 3.9Å; I347-T474 WeakPolarHBondContact CG2-OG1 3.27Å
348	T	89.9	Confident	79.2	Confident	64 Å²	64	60.1 Å²	60.1	39%	0.393	41%	0.408	S	S	.	.	H	α-helix	trans	-61.9	-38.7	-178.6	-51	0	0	0	0	111.5	H344 A350 M351 A352	H344-T348 PolarHBondContact CE1-OG1 3.26Å; H344-T348 PolarHBondContact NE2-OG1 3.36Å; H344-T348 WeakPolarHBondContact O-CB 3.44Å; H344-T348 PolarHBondContact O-N 3.1Å; H344-T348 PolarHBondContact O-OG1 2.92Å; T348-A350 VanDerWaalsContact C-N 3.32Å; T348-A350 PolarHBondContact O-N 3Å; T348-M351 CarbonylContact O-C 3.57Å; T348-M351 PolarHBondContact O-N 2.8Å; T348-M351 VanDerWaalsContact O-N 3.12Å; T348-A352 PolarHBondContact O-N 3.01Å; T348-A352 VanDerWaalsContact O-N 3.16Å
349	A	88.5	Confident	77	Confident	73 Å²	73	55.5 Å²	55.5	60%	0.603	39%	0.388	S	S	*	.	H	α-helix	trans	-62.6	-39.1	176	0	0	0	0	0	112.2	S345 I347 M351	S345-A349 VanDerWaalsContact O-CB 3.23Å; S345-A349 WeakPolarHBondContact O-CB 3.49Å; S345-A349 PolarHBondContact O-N 2.92Å; I347-A349 VanDerWaalsContact C-N 3.29Å; I347-A349 PolarHBondContact O-N 2.99Å; A349-M351 PolarHBondContact O-N 3.11Å
350	A	84.4	Confident	75.5	Confident	28 Å²	28	60.6 Å²	60.6	23%	0.231	41%	0.411	C	S	.	.	H	α-helix	trans	-74.4	-13.8	176.3	0	0	0	0	0	114	E346 I347 T348 S355 L367	E346-A350 PolarHBondContact O-N 3.43Å; I347-A350 PolarHBondContact O-N 3.49Å; I347-A350 VanDerWaalsContact O-N 3.13Å; T348-A350 VanDerWaalsContact C-N 3.32Å; T348-A350 PolarHBondContact O-N 3Å; A350-S355 PolarHBondContact O-OG 3.26Å; A350-L367 HydrophobicContact CB-CD2 3.5Å; A350-L367 VanDerWaalsContact CB-CD2 3.5Å
351	M	75.6	Confident	74	Confident	69 Å²	69	61 Å²	61	34%	0.34	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.6	1.8	-177.2	-70.7	-63.6	-67.7	0	0	113.5	I347 T348 A349 P359	I347-M351 HydrophobicContact CG2-CG 4.29Å; I347-M351 WeakPolarHBondContact O-CB 3.31Å; I347-M351 WeakPolarHBondContact O-CG 3.38Å; I347-M351 PolarHBondContact O-N 3.42Å; I347-M351 VanDerWaalsContact O-N 3.09Å; T348-M351 CarbonylContact O-C 3.57Å; T348-M351 PolarHBondContact O-N 2.8Å; T348-M351 VanDerWaalsContact O-N 3.12Å; A349-M351 PolarHBondContact O-N 3.11Å; M351-P359 HydrophobicContact CE-CB 3.97Å; M351-P359 HydrophobicContact CE-CG 3.47Å; M351-P359 VanDerWaalsContact CE-CG 3.47Å; M351-P359 HydrophobicContact SD-CB 3.37Å; M351-P359 WeakPolarHBondContact SD-CB 3.12Å; M351-P359 HydrophobicContact SD-CG 3.61Å
352	A	69.3	Low	72.6	Confident	44 Å²	44	61.5 Å²	61.5	36%	0.364	42%	0.416	S	S	.	.	S	Bend	trans	-64.2	150	-174.1	0	0	0	0	0	112.9	T348 G354 S355	T348-A352 PolarHBondContact O-N 3.01Å; T348-A352 VanDerWaalsContact O-N 3.16Å; A352-G354 PolarHBondContact O-N 3.43Å; A352-G354 VanDerWaalsContact O-N 3.13Å; A352-S355 PolarHBondContact O-N 3.44Å; A352-S355 PolarHBondContact O-OG 3.2Å
353	P	50.8	Low	71.6	Confident	142 Å²	142	60.9 Å²	60.9	92%	0.922	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	118.1	-179.1	-21.4	33.4	0	0	0	111.5
354	G	53.5	Low	70.7	Confident	84 Å²	84	60.9 Å²	60.9	87%	0.866	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	129.8	-27.6	-176.5	0	0	0	0	0	113.2	A352	A352-G354 PolarHBondContact O-N 3.43Å; A352-G354 VanDerWaalsContact O-N 3.13Å
355	S	53.2	Low	69.8	Low	61 Å²	61	60.6 Å²	60.6	43%	0.427	41%	0.414	S	S	.	.	S	Bend	trans	-78.3	129.5	151	40.2	0	0	0	0	107.5	A350 A352	A350-S355 PolarHBondContact O-OG 3.26Å; A352-S355 PolarHBondContact O-N 3.44Å; A352-S355 PolarHBondContact O-OG 3.2Å
356	G	45.7	Very low	69.2	Low	63 Å²	63	63.8 Å²	63.8	65%	0.649	42%	0.421	S	S	*	.			trans	-45.8	144.5	-170.9	0	0	0	0	0	114.1	H358	G356-H358 PolarHBondContact O-N 2.95Å; G356-H358 VanDerWaalsContact O-O 3.09Å
357	A	39.8	Very low	69	Low	96 Å²	96	62.2 Å²	62.2	79%	0.793	41%	0.414	S	S	*	.	S	Bend	trans	-52.4	131.9	176.2	0	0	0	0	0	110
358	H	46.8	Very low	69.2	Low	128 Å²	128	70 Å²	70	59%	0.593	44%	0.444	S	S	*	.	S	Bend	trans	89.3	130.9	-166.8	-59	-80.4	0	0	0	114.3	D159 G356 Q360	D159-H358 IonicContact OD2-ND1 3.32Å; G356-H358 PolarHBondContact O-N 2.95Å; G356-H358 VanDerWaalsContact O-O 3.09Å; H358-Q360 VanDerWaalsContact C-N 3.26Å; H358-Q360 PolarHBondContact O-N 3.26Å
359	P	52.3	Low	69.5	Low	17 Å²	17	68.4 Å²	68.4	11%	0.11	43%	0.432	C	S	.	.			trans	-59.1	97.9	164.5	5.1	4.7	0	0	0	106.5	M351 A361 L364	M351-P359 HydrophobicContact CE-CB 3.97Å; M351-P359 HydrophobicContact CE-CG 3.47Å; M351-P359 VanDerWaalsContact CE-CG 3.47Å; M351-P359 HydrophobicContact SD-CB 3.37Å; M351-P359 WeakPolarHBondContact SD-CB 3.12Å; M351-P359 HydrophobicContact SD-CG 3.61Å; P359-A361 PolarHBondContact O-N 3.22Å; P359-L364 HydrophobicContact CB-CD1 4.03Å; P359-L364 HydrophobicContact CB-CD2 4.2Å; P359-L364 HydrophobicContact CB-CG 3.97Å
360	Q	66.6	Low	69.9	Low	131 Å²	131	64.9 Å²	64.9	61%	0.612	40%	0.403	S	S	*	.			trans	-59.2	135.1	169	-76.6	-166.7	-29.9	0	0	106.1	H358 T362 A363 L364	H358-Q360 VanDerWaalsContact C-N 3.26Å; H358-Q360 PolarHBondContact O-N 3.26Å; Q360-T362 WeakPolarHBondContact CB-OG1 3.39Å; Q360-T362 CarbonylContact O-C 3.37Å; Q360-T362 PolarHBondContact O-N 2.9Å; Q360-T362 PolarHBondContact OE1-OG1 2.87Å; Q360-A363 WeakPolarHBondContact O-CA 3.34Å; Q360-A363 WeakPolarHBondContact O-CB 3.42Å; Q360-A363 PolarHBondContact O-N 2.86Å; Q360-L364 PolarHBondContact O-N 3.17Å
361	A	66.2	Low	70.5	Confident	12 Å²	12	67.4 Å²	67.4	10%	0.099	41%	0.409	C	S	.	.	H	α-helix	trans	-48.4	-27.1	173.5	0	0	0	0	0	112.5	A155 P359 S365 L463	A155-A361 HydrophobicContact CB-CB 3.64Å; P359-A361 PolarHBondContact O-N 3.22Å; A361-S365 VanDerWaalsContact O-CB 3.24Å; A361-S365 WeakPolarHBondContact O-CB 3.14Å; A361-S365 PolarHBondContact O-N 2.84Å; A361-S365 PolarHBondContact O-OG 2.89Å; A361-L463 HydrophobicContact CB-CD1 3.56Å
362	T	68.1	Low	71.5	Confident	73 Å²	73	64.2 Å²	64.2	45%	0.448	39%	0.394	S	S	.	.	H	α-helix	trans	-62	-45.9	171.5	53.9	0	0	0	0	112.9	Q360 S365 Q366	Q360-T362 WeakPolarHBondContact CB-OG1 3.39Å; Q360-T362 CarbonylContact O-C 3.37Å; Q360-T362 PolarHBondContact O-N 2.9Å; Q360-T362 PolarHBondContact OE1-OG1 2.87Å; T362-S365 PolarHBondContact O-N 3.34Å; T362-S365 PolarHBondContact O-OG 3.07Å; T362-Q366 WeakPolarHBondContact O-CG 3.41Å; T362-Q366 PolarHBondContact O-N 2.96Å
363	A	76.6	Confident	72.9	Confident	31 Å²	31	62.1 Å²	62.1	26%	0.256	38%	0.377	S	S	.	.	H	α-helix	trans	-64.7	-47.5	178.7	0	0	0	0	0	111.9	Q360 S365 Q366	Q360-A363 WeakPolarHBondContact O-CA 3.34Å; Q360-A363 WeakPolarHBondContact O-CB 3.42Å; Q360-A363 PolarHBondContact O-N 2.86Å; A363-S365 PolarHBondContact O-N 2.76Å; A363-Q366 PolarHBondContact O-N 3.19Å
364	L	78.9	Confident	75.1	Confident	2 Å²	2	55.8 Å²	55.8	1%	0.01	34%	0.335	C	S	.	.	H	α-helix	trans	-60.8	-36.4	175.7	-65	-178.6	0	0	0	111.9	P359 Q360 Q366 L367 Q466 M467 A470	P359-L364 HydrophobicContact CB-CD1 4.03Å; P359-L364 HydrophobicContact CB-CD2 4.2Å; P359-L364 HydrophobicContact CB-CG 3.97Å; Q360-L364 PolarHBondContact O-N 3.17Å; L364-Q366 PolarHBondContact O-N 2.87Å; L364-Q366 VanDerWaalsContact O-N 3.09Å; L364-L367 HydrophobicContact CD2-CD1 3.79Å; L364-L367 PolarHBondContact O-N 2.87Å; L364-Q466 HydrophobicContact CB-CB 4.39Å; L364-M467 HydrophobicContact CD1-CB 4.27Å; L364-M467 HydrophobicContact CD1-CG 3.63Å; L364-A470 HydrophobicContact CD1-CB 4.31Å; L364-A470 HydrophobicContact CD2-CB 3.61Å
365	S	75.9	Confident	77.2	Confident	39 Å²	39	56.9 Å²	56.9	27%	0.273	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	1	175.2	83.2	0	0	0	0	113.9	A361 T362 A363 K371	A361-S365 VanDerWaalsContact O-CB 3.24Å; A361-S365 WeakPolarHBondContact O-CB 3.14Å; A361-S365 PolarHBondContact O-N 2.84Å; A361-S365 PolarHBondContact O-OG 2.89Å; T362-S365 PolarHBondContact O-N 3.34Å; T362-S365 PolarHBondContact O-OG 3.07Å; A363-S365 PolarHBondContact O-N 2.76Å; S365-K371 WeakPolarHBondContact O-CE 3.31Å; S365-K371 PolarHBondContact O-NZ 3.18Å
366	Q	83	Confident	79.3	Confident	137 Å²	137	54 Å²	54	64%	0.64	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.9	-8.9	172.5	-61.4	-55.3	-29.4	0	0	113.5	T362 A363 L364 R368	T362-Q366 WeakPolarHBondContact O-CG 3.41Å; T362-Q366 PolarHBondContact O-N 2.96Å; A363-Q366 PolarHBondContact O-N 3.19Å; L364-Q366 PolarHBondContact O-N 2.87Å; L364-Q366 VanDerWaalsContact O-N 3.09Å; Q366-R368 PolarHBondContact O-N 3.09Å; Q366-R368 VanDerWaalsContact O-N 3.14Å
367	L	92.3	Very high	81.9	Confident	12 Å²	12	51 Å²	51	6%	0.063	27%	0.265	C	S	.	.			trans	-69.4	110.4	-179.1	-54.2	-172.7	0	0	0	110.2	E346 I347 A350 L364 L370 K371	E346-L367 HydrophobicContact CG-CB 4.31Å; E346-L367 HydrophobicContact CG-CD2 4.05Å; E346-L367 WeakPolarHBondContact OE2-CB 3.34Å; I347-L367 HydrophobicContact CG1-CD1 3.96Å; A350-L367 HydrophobicContact CB-CD2 3.5Å; A350-L367 VanDerWaalsContact CB-CD2 3.5Å; L364-L367 HydrophobicContact CD2-CD1 3.79Å; L364-L367 PolarHBondContact O-N 2.87Å; L367-L370 HydrophobicContact CB-CB 3.73Å; L367-L370 HydrophobicContact CB-CD2 4.24Å; L367-L370 HydrophobicContact CD1-CD2 3.88Å; L367-K371 VanDerWaalsContact O-CG 3.3Å; L367-K371 WeakPolarHBondContact O-CG 3.44Å; L367-K371 PolarHBondContact O-N 3.41Å
368	R	95.3	Very high	84.6	Confident	165 Å²	165	46.8 Å²	46.8	62%	0.623	23%	0.229	S	C	*	.	H	α-helix	trans	-76.3	-44.9	-170.5	-71.8	-179.2	64.3	179.4	-2.7	110.4	E346 Q366 K371 A372 L434	E346-R368 PolarHBondContact OE1-N 2.98Å; Q366-R368 PolarHBondContact O-N 3.09Å; Q366-R368 VanDerWaalsContact O-N 3.14Å; R368-K371 PolarHBondContact O-N 3.25Å; R368-A372 WeakPolarHBondContact O-CB 3.2Å; R368-A372 PolarHBondContact O-N 3.13Å; R368-L434 HydrophobicContact CB-CD2 4.06Å; R368-L434 PolarHBondContact NH2-O 3.18Å
369	L	97.1	Very high	87	Confident	29 Å²	29	40.7 Å²	40.7	15%	0.152	20%	0.2	C	C	.	.	H	α-helix	trans	-68.6	-41.3	179.6	-178.2	64.8	0	0	0	110.7	A342 L343 E346 K371 A372 V373 P430 L434	A342-L369 HydrophobicContact CB-CD2 3.65Å; L343-L369 HydrophobicContact CD2-CB 4.05Å; L343-L369 HydrophobicContact CD2-CD2 3.91Å; L343-L369 HydrophobicContact CD2-CG 3.61Å; L343-L369 HydrophobicContact CG-CD2 3.99Å; L343-L369 HydrophobicContact CG-CG 4.1Å; E346-L369 PolarHBondContact OE1-N 3.43Å; E346-L369 WeakPolarHBondContact OE2-CB 3.49Å; E346-L369 PolarHBondContact OE2-N 2.98Å; L369-K371 VanDerWaalsContact C-N 3.35Å; L369-K371 PolarHBondContact O-N 3.48Å; L369-A372 WeakPolarHBondContact O-CB 3.42Å; L369-A372 PolarHBondContact O-N 3.19Å; L369-A372 VanDerWaalsContact O-N 3.11Å; L369-V373 HydrophobicContact CD1-CG2 4.39Å; L369-V373 WeakPolarHBondContact O-CG2 3.42Å; L369-V373 PolarHBondContact O-N 2.81Å; L369-P430 HydrophobicContact CD1-CB 4.19Å; L369-L434 HydrophobicContact CD1-CD1 4.1Å
370	L	97.1	Very high	89.2	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-55.7	-47.6	174.1	-180	59	0	0	0	112.4	L343 E346 L367 A372 V373 I374 Q466 L469	L343-L370 VanDerWaalsContact CD2-CA 3.5Å; L343-L370 HydrophobicContact CD2-CB 4.05Å; L343-L370 HydrophobicContact CD2-CD1 4.45Å; E346-L370 PolarHBondContact OE2-N 3.48Å; L367-L370 HydrophobicContact CB-CB 3.73Å; L367-L370 HydrophobicContact CB-CD2 4.24Å; L367-L370 HydrophobicContact CD1-CD2 3.88Å; L370-A372 VanDerWaalsContact C-N 3.34Å; L370-A372 PolarHBondContact O-N 3.33Å; L370-V373 PolarHBondContact O-N 3.39Å; L370-I374 HydrophobicContact CD1-CD1 4.32Å; L370-I374 HydrophobicContact CG-CD1 4.33Å; L370-I374 WeakPolarHBondContact O-CG1 3.36Å; L370-I374 PolarHBondContact O-N 3.45Å; L370-I374 VanDerWaalsContact O-N 3.08Å; L370-Q466 HydrophobicContact CD2-CB 4.01Å; L370-Q466 HydrophobicContact CD2-CG 3.95Å; L370-Q466 HydrophobicContact CG-CG 4.28Å; L370-L469 HydrophobicContact CD1-CB 3.88Å; L370-L469 HydrophobicContact CD1-CD1 3.83Å
371	K	96.1	Very high	90.6	Very high	80 Å²	80	35 Å²	35	35%	0.348	17%	0.171	S	C	.	.	H	α-helix	trans	-64.3	-39	175.7	-73.5	175.1	179.7	-178.6	0	112.7	S365 L367 R368 L369 V373 I374 K375	S365-K371 WeakPolarHBondContact O-CE 3.31Å; S365-K371 PolarHBondContact O-NZ 3.18Å; L367-K371 VanDerWaalsContact O-CG 3.3Å; L367-K371 WeakPolarHBondContact O-CG 3.44Å; L367-K371 PolarHBondContact O-N 3.41Å; R368-K371 PolarHBondContact O-N 3.25Å; L369-K371 VanDerWaalsContact C-N 3.35Å; L369-K371 PolarHBondContact O-N 3.48Å; K371-V373 VanDerWaalsContact C-N 3.34Å; K371-I374 PolarHBondContact O-N 3.33Å; K371-K375 WeakPolarHBondContact O-CB 3.4Å; K371-K375 WeakPolarHBondContact O-CG 3.37Å; K371-K375 PolarHBondContact O-N 3.07Å
372	A	97	Very high	92	Very high	3 Å²	3	34.5 Å²	34.5	3%	0.025	17%	0.167	C	C	.	.	H	α-helix	trans	-63.2	-41.6	177.6	0	0	0	0	0	111.4	R368 L369 L370 K375 E376 P430 W433 L434	R368-A372 WeakPolarHBondContact O-CB 3.2Å; R368-A372 PolarHBondContact O-N 3.13Å; L369-A372 WeakPolarHBondContact O-CB 3.42Å; L369-A372 PolarHBondContact O-N 3.19Å; L369-A372 VanDerWaalsContact O-N 3.11Å; L370-A372 VanDerWaalsContact C-N 3.34Å; L370-A372 PolarHBondContact O-N 3.33Å; A372-K375 PolarHBondContact O-N 3.17Å; A372-E376 WeakPolarHBondContact O-CB 3.36Å; A372-E376 PolarHBondContact O-N 3.4Å; A372-P430 HydrophobicContact CB-CB 4.09Å; A372-W433 HydrophobicContact CB-CB 3.79Å; A372-W433 VanDerWaalsContact O-CD1 3.32Å; A372-L434 HydrophobicContact CB-CD2 3.77Å; A372-L434 HydrophobicContact CB-CG 4.11Å
373	V	98.4	Very high	93.3	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-62.9	-49.5	175.8	164	0	0	0	0	111.1	T329 L333 I339 L343 L369 L370 K371 K375 E376 V377 F428 P430	T329-V373 HydrophobicContact CG2-CG1 3.69Å; L333-V373 HydrophobicContact CD1-CG1 4.46Å; L333-V373 HydrophobicContact CD2-CG1 4.25Å; L333-V373 HydrophobicContact CG-CG1 4.48Å; I339-V373 HydrophobicContact CG2-CG2 3.99Å; L343-V373 HydrophobicContact CD1-CB 4.41Å; L343-V373 HydrophobicContact CD1-CG1 4.29Å; L343-V373 HydrophobicContact CD1-CG2 3.98Å; L343-V373 HydrophobicContact CD2-CG2 4.25Å; L343-V373 HydrophobicContact CG-CG2 4.31Å; L369-V373 HydrophobicContact CD1-CG2 4.39Å; L369-V373 WeakPolarHBondContact O-CG2 3.42Å; L369-V373 PolarHBondContact O-N 2.81Å; L370-V373 PolarHBondContact O-N 3.39Å; K371-V373 VanDerWaalsContact C-N 3.34Å; V373-K375 VanDerWaalsContact C-N 3.3Å; V373-K375 PolarHBondContact O-N 3.09Å; V373-E376 PolarHBondContact O-N 2.98Å; V373-E376 VanDerWaalsContact O-N 3.15Å; V373-V377 HydrophobicContact CG1-CG2 4.49Å; V373-V377 VanDerWaalsContact O-CG2 3.3Å; V373-V377 WeakPolarHBondContact O-CG2 3.16Å; V373-V377 PolarHBondContact O-N 2.64Å; V373-F428 HydrophobicContact CG1-CZ 4.09Å; V373-F428 HydrophobicContact CG2-CZ 4.24Å; V373-P430 HydrophobicContact CB-CG 4.5Å; V373-P430 HydrophobicContact CG2-CB 3.82Å; V373-P430 HydrophobicContact CG2-CG 3.54Å
374	I	98.1	Very high	94.1	Very high	9 Å²	9	33.1 Å²	33.1	5%	0.046	16%	0.156	C	C	.	.	H	α-helix	trans	-59.4	-42.9	177.3	-66.1	167	0	0	0	110.9	L370 K371 L378 L465 Q466 L469	L370-I374 HydrophobicContact CD1-CD1 4.32Å; L370-I374 HydrophobicContact CG-CD1 4.33Å; L370-I374 WeakPolarHBondContact O-CG1 3.36Å; L370-I374 PolarHBondContact O-N 3.45Å; L370-I374 VanDerWaalsContact O-N 3.08Å; K371-I374 PolarHBondContact O-N 3.33Å; I374-L378 HydrophobicContact CG2-CD1 3.93Å; I374-L378 WeakPolarHBondContact O-CB 3.31Å; I374-L378 WeakPolarHBondContact O-CG 3.31Å; I374-L378 PolarHBondContact O-N 3.05Å; I374-L465 HydrophobicContact CD1-CB 4.06Å; I374-L465 HydrophobicContact CG2-CD1 4.12Å; I374-Q466 HydrophobicContact CD1-CG 3.7Å; I374-L469 HydrophobicContact CD1-CD1 3.98Å; I374-L469 HydrophobicContact CG1-CD1 3.75Å
375	K	97.2	Very high	94.7	Very high	106 Å²	106	33.5 Å²	33.5	46%	0.461	16%	0.158	S	C	.	.	H	α-helix	trans	-61.9	-42.9	175.9	-80.9	-178	165.7	-170.3	0	112.4	K371 A372 V373 L378 R379 W433	K371-K375 WeakPolarHBondContact O-CB 3.4Å; K371-K375 WeakPolarHBondContact O-CG 3.37Å; K371-K375 PolarHBondContact O-N 3.07Å; A372-K375 PolarHBondContact O-N 3.17Å; V373-K375 VanDerWaalsContact C-N 3.3Å; V373-K375 PolarHBondContact O-N 3.09Å; K375-L378 PolarHBondContact O-N 3.47Å; K375-R379 PolarHBondContact O-N 3.5Å; K375-W433 HydrophobicContact CB-CD2 3.98Å; K375-W433 HydrophobicContact CB-CG 4.03Å; K375-W433 HydrophobicContact CB-CZ2 4.46Å; K375-W433 HydrophobicContact CD-CB 4.42Å; K375-W433 HydrophobicContact CD-CD2 4.09Å; K375-W433 HydrophobicContact CD-CE3 4.07Å; K375-W433 HydrophobicContact CD-CG 4.26Å
376	E	97.9	Very high	95.3	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-68.3	-40.2	-179.1	-175.9	64	174	0	0	112.3	A372 V373 R379 L380 F428 N429 P430 R432 W433	A372-E376 WeakPolarHBondContact O-CB 3.36Å; A372-E376 PolarHBondContact O-N 3.4Å; V373-E376 PolarHBondContact O-N 2.98Å; V373-E376 VanDerWaalsContact O-N 3.15Å; E376-R379 WeakPolarHBondContact O-CB 3.38Å; E376-R379 PolarHBondContact O-N 2.84Å; E376-R379 IonicContact OE1-CZ 3.07Å; E376-R379 IonicContact OE1-NE 3.97Å; E376-R379 PolarHBondContact OE1-NE 2.99Å; E376-R379 IonicContact OE1-NH2 3.73Å; E376-R379 PolarHBondContact OE1-NH2 2.67Å; E376-R379 IonicContact OE2-CZ 2.76Å; E376-R379 IonicContact OE2-NE 3.9Å; E376-R379 PolarHBondContact OE2-NE 3.38Å; E376-R379 IonicContact OE2-NH2 3.98Å; E376-L380 PolarHBondContact O-N 3.18Å; E376-F428 HydrophobicContact CB-CD2 4.3Å; E376-F428 HydrophobicContact CB-CE2 4.03Å; E376-F428 HydrophobicContact CG-CD2 3.55Å; E376-F428 HydrophobicContact CG-CE2 3.78Å; E376-F428 HydrophobicContact CG-CG 4.48Å; E376-N429 PolarHBondContact OE1-N 3.2Å; E376-P430 HydrophobicContact CB-CG 4.47Å; E376-R432 IonicContact OE1-CZ 3.12Å; E376-R432 VanDerWaalsContact OE1-CZ 3.28Å; E376-R432 IonicContact OE1-NE 2.64Å; E376-R432 PolarHBondContact OE1-NE 3.23Å; E376-R432 IonicContact OE1-NH2 2.61Å; E376-R432 PolarHBondContact OE1-NH2 3.08Å; E376-R432 WeakPolarHBondContact OE2-CD 3.2Å; E376-R432 IonicContact OE2-CZ 2.86Å; E376-R432 IonicContact OE2-NE 3.98Å; E376-R432 PolarHBondContact OE2-NE 3.31Å; E376-W433 PolarHBondContact OE2-NE1 3.47Å
377	V	98.4	Very high	95.6	Very high	1 Å²	1	27 Å²	27	1%	0.006	13%	0.131	C	C	.	.	H	α-helix	trans	-62.1	-45.3	173.1	173.7	0	0	0	0	110.4	T325 W328 T329 V373 R379 L380 Y381 F428	T325-V377 HydrophobicContact CG2-CG1 4.39Å; W328-V377 HydrophobicContact CB-CG1 3.66Å; T329-V377 HydrophobicContact CG2-CG2 4.13Å; V373-V377 HydrophobicContact CG1-CG2 4.49Å; V373-V377 VanDerWaalsContact O-CG2 3.3Å; V373-V377 WeakPolarHBondContact O-CG2 3.16Å; V373-V377 PolarHBondContact O-N 2.64Å; V377-R379 PolarHBondContact O-N 3.27Å; V377-L380 PolarHBondContact O-N 3.25Å; V377-Y381 HydrophobicContact CG1-CD2 4.23Å; V377-Y381 WeakPolarHBondContact O-CA 3.44Å; V377-Y381 WeakPolarHBondContact O-CB 3.24Å; V377-Y381 PolarHBondContact O-N 3.43Å; V377-F428 HydrophobicContact CG2-CE2 3.86Å
378	L	97.9	Very high	95.7	Very high	7 Å²	7	27.2 Å²	27.2	4%	0.037	13%	0.133	C	C	.	.	H	α-helix	trans	-67.9	-22.9	178	-76.1	173.1	0	0	0	113.5	T325 I374 K375 P382 V383 P447 F448	T325-L378 HydrophobicContact CG2-CD2 3.75Å; T325-L378 HydrophobicContact CG2-CG 3.97Å; I374-L378 HydrophobicContact CG2-CD1 3.93Å; I374-L378 WeakPolarHBondContact O-CB 3.31Å; I374-L378 WeakPolarHBondContact O-CG 3.31Å; I374-L378 PolarHBondContact O-N 3.05Å; K375-L378 PolarHBondContact O-N 3.47Å; L378-P382 VanDerWaalsContact O-CA 3.26Å; L378-P382 WeakPolarHBondContact O-CA 3.48Å; L378-P382 WeakPolarHBondContact O-CB 3.24Å; L378-V383 HydrophobicContact CD2-CG2 4.31Å; L378-P447 HydrophobicContact CB-CB 3.67Å; L378-P447 HydrophobicContact CB-CG 3.91Å; L378-P447 HydrophobicContact CD1-CB 4.06Å; L378-P447 HydrophobicContact CD1-CG 4.09Å; L378-P447 HydrophobicContact CD2-CB 4.14Å; L378-P447 HydrophobicContact CG-CB 4.18Å; L378-F448 HydrophobicContact CD1-CE2 3.67Å; L378-F448 HydrophobicContact CD1-CZ 3.88Å
379	R	97.6	Very high	95.7	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-73.2	-48.6	170.5	-176.3	-164.4	65.8	77.8	-2.5	111.1	K375 E376 V377 S416 F422 P425 S427 W433	K375-R379 PolarHBondContact O-N 3.5Å; E376-R379 WeakPolarHBondContact O-CB 3.38Å; E376-R379 PolarHBondContact O-N 2.84Å; E376-R379 IonicContact OE1-CZ 3.07Å; E376-R379 IonicContact OE1-NE 3.97Å; E376-R379 PolarHBondContact OE1-NE 2.99Å; E376-R379 IonicContact OE1-NH2 3.73Å; E376-R379 PolarHBondContact OE1-NH2 2.67Å; E376-R379 IonicContact OE2-CZ 2.76Å; E376-R379 IonicContact OE2-NE 3.9Å; E376-R379 PolarHBondContact OE2-NE 3.38Å; E376-R379 IonicContact OE2-NH2 3.98Å; V377-R379 PolarHBondContact O-N 3.27Å; R379-S416 PolarHBondContact NH1-O 3.41Å; R379-S416 WeakPolarHBondContact O-CB 3.34Å; R379-F422 VanDerWaalsContact CD-CD1 3.43Å; R379-F422 HydrophobicContact CG-CE1 4.34Å; R379-F422 HydrophobicContact CG-CE2 4.4Å; R379-F422 HydrophobicContact CG-CZ 4.21Å; R379-P425 PolarHBondContact NH1-O 2.96Å; R379-P425 PolarHBondContact NH2-O 2.88Å; R379-P425 VanDerWaalsContact NH2-O 3.1Å; R379-S427 PolarHBondContact NH2-O 2.83Å; R379-S427 VanDerWaalsContact NH2-O 3.1Å; R379-W433 HydrophobicContact CB-CZ2 4.12Å; R379-W433 HydrophobicContact CG-CZ2 4.36Å
380	L	97.4	Very high	95.6	Very high	3 Å²	3	19.6 Å²	19.6	2%	0.016	11%	0.105	C	C	.	.	H	α-helix	trans	-69.9	-43	179.6	-75.1	174.9	0	0	0	112	E376 V377 P382 R417 P425 F428	E376-L380 PolarHBondContact O-N 3.18Å; V377-L380 PolarHBondContact O-N 3.25Å; L380-P382 WeakPolarHBondContact O-CD 3.16Å; L380-R417 VanDerWaalsContact O-CZ 3.25Å; L380-R417 PolarHBondContact O-NH1 2.9Å; L380-R417 PolarHBondContact O-NH2 2.87Å; L380-P425 WeakPolarHBondContact CD2-O 3.44Å; L380-F428 HydrophobicContact CD1-CB 3.94Å; L380-F428 HydrophobicContact CD1-CD2 4.05Å
381	Y	96.9	Very high	95.4	Very high	25 Å²	25	20.2 Å²	20.2	10%	0.098	11%	0.109	C	C	.	.	S	Bend	trans	-125	63.9	-172.7	-50.4	-74.2	0	0	0	110.8	W328 E332 V377 V383	W328-Y381 HydrophobicContact CB-CD2 3.74Å; W328-Y381 HydrophobicContact CB-CE2 4.36Å; W328-Y381 HydrophobicContact CB-CG 4.02Å; W328-Y381 AromaticContact CD1-CG 3.97Å; W328-Y381 AromaticContact CD2-CD1 3.59Å; W328-Y381 HydrophobicContact CD2-CD1 3.59Å; W328-Y381 AromaticContact CD2-CD2 3.92Å; W328-Y381 HydrophobicContact CD2-CD2 3.92Å; W328-Y381 AromaticContact CD2-CE1 3.91Å; W328-Y381 HydrophobicContact CD2-CE1 3.91Å; W328-Y381 HydrophobicContact CD2-CE2 4.2Å; W328-Y381 AromaticContact CD2-CG 3.59Å; W328-Y381 HydrophobicContact CD2-CG 3.59Å; W328-Y381 AromaticContact CE2-CD1 3.67Å; W328-Y381 AromaticContact CE2-CG 3.98Å; W328-Y381 AromaticContact CE3-CD1 3.75Å; W328-Y381 HydrophobicContact CE3-CD1 3.75Å; W328-Y381 HydrophobicContact CE3-CD2 4.01Å; W328-Y381 AromaticContact CE3-CE1 3.53Å; W328-Y381 HydrophobicContact CE3-CE1 3.53Å; W328-Y381 AromaticContact CE3-CE2 3.79Å; W328-Y381 HydrophobicContact CE3-CE2 3.79Å; W328-Y381 AromaticContact CE3-CG 3.98Å; W328-Y381 HydrophobicContact CE3-CG 3.98Å; W328-Y381 AromaticContact CE3-CZ 3.54Å; W328-Y381 HydrophobicContact CG-CD1 4.11Å; W328-Y381 AromaticContact CG-CD2 3.83Å; W328-Y381 HydrophobicContact CG-CD2 3.83Å; W328-Y381 HydrophobicContact CG-CE2 4.47Å; W328-Y381 AromaticContact CG-CG 3.61Å; W328-Y381 HydrophobicContact CG-CG 3.61Å; W328-Y381 HydrophobicContact CH2-CD1 4.07Å; W328-Y381 AromaticContact CH2-CE1 3.8Å; W328-Y381 HydrophobicContact CH2-CE1 3.8Å; W328-Y381 AromaticContact CZ2-CD1 3.92Å; W328-Y381 HydrophobicContact CZ2-CD1 3.92Å; W328-Y381 HydrophobicContact CZ2-CE1 4.14Å; W328-Y381 AromaticContact CZ3-CD1 3.99Å; W328-Y381 HydrophobicContact CZ3-CD1 3.99Å; W328-Y381 AromaticContact CZ3-CE1 3.48Å; W328-Y381 HydrophobicContact CZ3-CE1 3.48Å; W328-Y381 VanDerWaalsContact CZ3-CE1 3.48Å; W328-Y381 HydrophobicContact CZ3-CE2 4.43Å; W328-Y381 AromaticContact CZ3-CZ 3.72Å; E332-Y381 HydrophobicContact CG-CE2 3.87Å; E332-Y381 VanDerWaalsContact OE1-CE2 3.23Å; E332-Y381 WeakPolarHBondContact OE1-CE2 3.3Å; E332-Y381 VanDerWaalsContact OE1-CZ 3.26Å; E332-Y381 PolarHBondContact OE1-OH 3.38Å; V377-Y381 HydrophobicContact CG1-CD2 4.23Å; V377-Y381 WeakPolarHBondContact O-CA 3.44Å; V377-Y381 WeakPolarHBondContact O-CB 3.24Å; V377-Y381 PolarHBondContact O-N 3.43Å; Y381-V383 PolarHBondContact O-N 3.5Å; Y381-V383 VanDerWaalsContact O-N 3.12Å
382	P	95.8	Very high	95.3	Very high	2 Å²	2	20.5 Å²	20.5	1%	0.013	12%	0.115	C	C	.	.			trans	-64.2	119	178.3	27.1	-33.9	0	0	0	109.4	L378 L380 V384 Y413 L495	L378-P382 VanDerWaalsContact O-CA 3.26Å; L378-P382 WeakPolarHBondContact O-CA 3.48Å; L378-P382 WeakPolarHBondContact O-CB 3.24Å; L380-P382 WeakPolarHBondContact O-CD 3.16Å; P382-V384 PolarHBondContact O-N 3.26Å; P382-V384 VanDerWaalsContact O-N 3.14Å; P382-Y413 HydrophobicContact CG-CD2 3.94Å; P382-L495 WeakPolarHBondContact O-CB 3.44Å
383	V	94.5	Very high	95.2	Very high	13 Å²	13	26.8 Å²	26.8	8%	0.079	14%	0.138	C	C	.	.	S	Bend	trans	-52.6	-39	179.6	178	0	0	0	0	111.5	T321 T325 L378 Y381 P385 V494 L495	T321-V383 HydrophobicContact CG2-CG1 3.75Å; T325-V383 VanDerWaalsContact OG1-CG2 3.25Å; T325-V383 WeakPolarHBondContact OG1-CG2 3.44Å; L378-V383 HydrophobicContact CD2-CG2 4.31Å; Y381-V383 PolarHBondContact O-N 3.5Å; Y381-V383 VanDerWaalsContact O-N 3.12Å; V383-P385 WeakPolarHBondContact O-CD 3.49Å; V383-V494 HydrophobicContact CG1-CB 4.2Å; V383-V494 HydrophobicContact CG1-CG1 4.06Å; V383-V494 CarbonylContact O-C 3.56Å; V383-V494 VanDerWaalsContact O-CA 3.23Å; V383-V494 WeakPolarHBondContact O-CA 3.17Å; V383-V494 WeakPolarHBondContact O-CB 3.46Å; V383-L495 PolarHBondContact O-N 3.03Å
384	V	92.7	Very high	95.1	Very high	63 Å²	63	31.4 Å²	31.4	38%	0.382	16%	0.162	S	C	.	.	S	Bend	trans	-108.3	96.8	171.8	179.4	0	0	0	0	107.8	P382 G386	P382-V384 PolarHBondContact O-N 3.26Å; P382-V384 VanDerWaalsContact O-N 3.14Å; V384-G386 WeakPolarHBondContact CG1-O 3.29Å; V384-G386 PolarHBondContact O-N 3.28Å
385	P	91.4	Very high	95	Very high	9 Å²	9	31.2 Å²	31.2	6%	0.058	16%	0.161	C	C	.	.	S	Bend	trans	-70.3	-17.4	-173.9	27.5	-34.7	0	0	0	113	H62 Q65 V383 H412 Y413 T491 L495	H62-P385 HydrophobicContact CB-CB 3.86Å; H62-P385 HydrophobicContact CB-CG 4.37Å; Q65-P385 PolarHBondContact NE2-O 3.28Å; Q65-P385 PolarHBondContact OE1-O 3.28Å; Q65-P385 VanDerWaalsContact OE1-O 3.11Å; V383-P385 WeakPolarHBondContact O-CD 3.49Å; P385-H412 PolarHBondContact O-N 3.46Å; P385-Y413 PolarHBondContact O-N 3.49Å; P385-T491 HydrophobicContact CG-CG2 4.48Å; P385-L495 HydrophobicContact CB-CD1 4.43Å; P385-L495 HydrophobicContact CG-CD1 4.44Å
386	G	89.3	Confident	94.9	Very high	25 Å²	25	28.6 Å²	28.6	26%	0.258	16%	0.156	S	C	.	.			trans	-147.4	135.1	170.1	0	0	0	0	0	111.6	V384 L410	V384-G386 WeakPolarHBondContact CG1-O 3.29Å; V384-G386 PolarHBondContact O-N 3.28Å; G386-L410 WeakPolarHBondContact CA-O 3.26Å
387	N	90.1	Very high	94.8	Very high	15 Å²	15	28.6 Å²	28.6	8%	0.08	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	171.9	172.1	-160.2	-33.1	0	0	0	108.7	R389 S409 L410 H412	N387-R389 PolarHBondContact OD1-NH1 3.1Å; N387-S409 CarbonylContact O-C 3.46Å; N387-S409 WeakPolarHBondContact O-CA 3.12Å; N387-L410 HydrophobicContact CB-CB 4.34Å; N387-L410 HydrophobicContact CB-CD1 4.31Å; N387-L410 PolarHBondContact N-O 3.25Å; N387-L410 VanDerWaalsContact N-O 3.17Å; N387-L410 PolarHBondContact O-N 3.48Å; N387-H412 WeakPolarHBondContact CB-NE2 3.06Å
388	S	93.4	Very high	94.5	Very high	16 Å²	16	30 Å²	30	11%	0.112	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	157.6	178.3	66.8	0	0	0	0	114	R107 C108 I408	R107-S388 WeakPolarHBondContact CG-O 3.44Å; C108-S388 WeakPolarHBondContact CB-OG 3.2Å; C108-S388 PolarHBondContact N-OG 3.27Å; S388-I408 CarbonylContact C-O 3.57Å; S388-I408 WeakPolarHBondContact CA-O 3.35Å; S388-I408 VanDerWaalsContact CB-O 3.28Å; S388-I408 WeakPolarHBondContact CB-O 3.47Å
389	R	94.8	Very high	94.3	Very high	7 Å²	7	33.6 Å²	33.6	3%	0.026	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	148	170.5	-69.9	-58.7	-177.6	-78.8	-13.8	111.4	L97 L98 E101 E106 N387 I408 F450	L97-R389 HydrophobicContact CD2-CB 4.16Å; L97-R389 HydrophobicContact CD2-CG 4.39Å; L98-R389 HydrophobicContact CD2-CG 4.49Å; E101-R389 IonicContact OE1-CZ 2.86Å; E101-R389 IonicContact OE1-NE 2.85Å; E101-R389 PolarHBondContact OE1-NE 2.94Å; E101-R389 IonicContact OE1-NH2 2.91Å; E101-R389 PolarHBondContact OE1-NH2 3.5Å; E106-R389 WeakPolarHBondContact O-CA 3.37Å; E106-R389 WeakPolarHBondContact O-CD 3.41Å; N387-R389 PolarHBondContact OD1-NH1 3.1Å; R389-I408 PolarHBondContact N-O 3.22Å; R389-I408 PolarHBondContact O-N 3.31Å; R389-F450 PolarHBondContact NH2-O 2.98Å
390	V	94.8	Very high	94.3	Very high	28 Å²	28	34.3 Å²	34.3	17%	0.17	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-119.5	111	169.4	-177	0	0	0	0	106	E106 N405 L407	E106-V390 HydrophobicContact CB-CB 4.19Å; E106-V390 PolarHBondContact O-N 3.13Å; E106-V390 VanDerWaalsContact O-N 3.07Å; V390-N405 HydrophobicContact CG1-CB 4.5Å; V390-L407 HydrophobicContact CG2-CD1 4Å
391	P	94.4	Very high	94.2	Very high	13 Å²	13	36.7 Å²	36.7	8%	0.084	21%	0.205	C	C	.	.			trans	-73	142	-179.3	31.7	-32	0	0	0	110	R393 I395 N405 T406 I408	P391-R393 VanDerWaalsContact C-N 3.33Å; P391-R393 WeakPolarHBondContact CB-O 3.42Å; P391-I395 HydrophobicContact CB-CD1 4.08Å; P391-I395 HydrophobicContact CB-CG1 4.32Å; P391-I395 HydrophobicContact CB-CG2 4.09Å; P391-I395 HydrophobicContact CG-CD1 4.29Å; P391-I395 HydrophobicContact CG-CG1 4.44Å; P391-N405 PolarHBondContact O-N 2.74Å; P391-T406 WeakPolarHBondContact CD-O 3.44Å; P391-I408 HydrophobicContact CG-CD1 4.2Å
392	D	93.5	Very high	94.2	Very high	86 Å²	86	35.5 Å²	35.5	46%	0.46	20%	0.2	S	C	.	.	S	Bend	trans	-87.7	-3.8	-179.4	64.7	-23.6	0	0	0	113.4	S102 Q404	S102-D392 VanDerWaalsContact CB-CG 3.47Å; S102-D392 WeakPolarHBondContact CB-OD2 3.37Å; D392-Q404 PolarHBondContact O-OE1 3.19Å
393	R	95.1	Very high	94.2	Very high	134 Å²	134	37.1 Å²	37.1	51%	0.506	21%	0.211	S	C	.	.	S	Bend	trans	-147.6	167.7	175.8	62.5	179.4	175.7	-137.2	-7.5	109.4	Q100 P391 I395	Q100-R393 PolarHBondContact O-NH2 2.92Å; P391-R393 VanDerWaalsContact C-N 3.33Å; P391-R393 WeakPolarHBondContact CB-O 3.42Å; R393-I395 HydrophobicContact CG-CG2 4.27Å; R393-I395 PolarHBondContact O-N 3.42Å
394	D	95.9	Very high	94.2	Very high	97 Å²	97	41 Å²	41	52%	0.519	23%	0.228	S	C	.	.			trans	-64	135.2	170.8	-63.8	0.9	0	0	0	109.2	I402 P403 Q404	D394-I402 WeakPolarHBondContact CA-O 3.22Å; D394-P403 WeakPolarHBondContact OD1-CA 3.28Å; D394-Q404 PolarHBondContact OD1-N 3.38Å
395	I	95.9	Very high	94.1	Very high	5 Å²	5	41.5 Å²	41.5	3%	0.026	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	151.7	-178.9	62.6	170	0	0	0	110.9	L97 P391 R393 I402 I408	L97-I395 HydrophobicContact CD1-CD1 3.29Å; P391-I395 HydrophobicContact CB-CD1 4.08Å; P391-I395 HydrophobicContact CB-CG1 4.32Å; P391-I395 HydrophobicContact CB-CG2 4.09Å; P391-I395 HydrophobicContact CG-CD1 4.29Å; P391-I395 HydrophobicContact CG-CG1 4.44Å; R393-I395 HydrophobicContact CG-CG2 4.27Å; R393-I395 PolarHBondContact O-N 3.42Å; I395-I402 HydrophobicContact CG1-CB 3.86Å; I395-I402 HydrophobicContact CG1-CG1 4.44Å; I395-I402 PolarHBondContact N-O 3.19Å; I395-I402 PolarHBondContact O-N 3.5Å; I395-I408 HydrophobicContact CD1-CD1 3.82Å
396	C	95.4	Very high	94.3	Very high	51 Å²	51	41.7 Å²	41.7	35%	0.345	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	129.2	167.8	-63.2	0	0	0	0	109	Q96 Q100 Y400	Q96-C396 PolarHBondContact NE2-O 3.18Å; Q96-C396 VanDerWaalsContact NE2-O 3.12Å; Q100-C396 PolarHBondContact NE2-O 3.28Å; C396-Y400 WeakPolarHBondContact CA-O 3.4Å
397	L	95.1	Very high	94.5	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	107.8	178.1	-171.4	65	0	0	0	109.5	I75 V88 L93 Q96 L97 D399 Y400 I402	I75-L397 HydrophobicContact CD1-CD2 4.07Å; I75-L397 HydrophobicContact CD1-CG 4.44Å; V88-L397 HydrophobicContact CG2-CD2 3.76Å; L93-L397 HydrophobicContact CB-CD1 4.16Å; L93-L397 HydrophobicContact CD2-CD1 4.3Å; L93-L397 HydrophobicContact CD2-CG 4.41Å; L93-L397 WeakPolarHBondContact O-CD1 3.49Å; Q96-L397 HydrophobicContact CB-CD1 4.23Å; Q96-L397 HydrophobicContact CG-CD1 4.21Å; L97-L397 HydrophobicContact CB-CD1 4.03Å; L397-D399 PolarHBondContact O-N 2.91Å; L397-Y400 PolarHBondContact N-O 3.37Å; L397-Y400 PolarHBondContact O-N 2.87Å; L397-Y400 VanDerWaalsContact O-N 3.13Å; L397-I402 HydrophobicContact CB-CG1 3.88Å; L397-I402 HydrophobicContact CD2-CG1 4.39Å
398	G	93.6	Very high	94.8	Very high	31 Å²	31	41.1 Å²	41.1	32%	0.32	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	-128.7	-163.4	0	0	0	0	0	110.5	Y400	G398-Y400 VanDerWaalsContact C-N 3.29Å; G398-Y400 PolarHBondContact O-N 3.3Å
399	D	93.7	Very high	94.9	Very high	83 Å²	83	41.3 Å²	41.3	44%	0.444	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	10.3	179.6	-50.3	-32.4	0	0	0	113.5	L34 R35 L397	L34-D399 CarbonylContact C-O 3.51Å; R35-D399 IonicContact CZ-OD2 2.72Å; R35-D399 PolarHBondContact N-O 3.39Å; R35-D399 IonicContact NH2-OD2 3.7Å; R35-D399 PolarHBondContact NH2-OD2 2.77Å; L397-D399 PolarHBondContact O-N 2.91Å
400	Y	96.1	Very high	94.9	Very high	15 Å²	15	41.1 Å²	41.1	6%	0.059	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	140.6	-171.5	-61	-83.3	0	0	0	112.6	R35 D39 I40 I75 C396 L397 G398	R35-Y400 HydrophobicContact CB-CD1 3.57Å; R35-Y400 HydrophobicContact CB-CE1 3.7Å; R35-Y400 HydrophobicContact CB-CG 4.49Å; R35-Y400 PolarHBondContact NH1-OH 3.08Å; R35-Y400 CarbonylContact O-C 3.47Å; R35-Y400 VanDerWaalsContact O-CA 3.31Å; R35-Y400 WeakPolarHBondContact O-CA 3.32Å; D39-Y400 HydrophobicContact CB-CE1 4.18Å; I40-Y400 HydrophobicContact CB-CE1 4.34Å; I40-Y400 HydrophobicContact CD1-CD1 4.22Å; I40-Y400 HydrophobicContact CD1-CG 4.17Å; I40-Y400 HydrophobicContact CG1-CD1 3.4Å; I40-Y400 HydrophobicContact CG1-CD2 4.3Å; I40-Y400 HydrophobicContact CG1-CE1 3.57Å; I40-Y400 HydrophobicContact CG1-CE2 4.44Å; I40-Y400 HydrophobicContact CG1-CG 3.78Å; I75-Y400 HydrophobicContact CD1-CD2 4.09Å; I75-Y400 HydrophobicContact CG2-CD2 4.07Å; I75-Y400 HydrophobicContact CG2-CE2 3.64Å; C396-Y400 WeakPolarHBondContact CA-O 3.4Å; L397-Y400 PolarHBondContact N-O 3.37Å; L397-Y400 PolarHBondContact O-N 2.87Å; L397-Y400 VanDerWaalsContact O-N 3.13Å; G398-Y400 VanDerWaalsContact C-N 3.29Å; G398-Y400 PolarHBondContact O-N 3.3Å
401	I	96.2	Very high	95	Very high	52 Å²	52	39.8 Å²	39.8	27%	0.267	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	118.5	164.2	-64.3	164.2	0	0	0	108	L34 R35	L34-I401 HydrophobicContact CB-CD1 3.79Å; L34-I401 HydrophobicContact CB-CG1 3.86Å; L34-I401 HydrophobicContact CD1-CD1 4.04Å; L34-I401 HydrophobicContact CD1-CG1 3.95Å; L34-I401 HydrophobicContact CG-CG1 4.46Å; R35-I401 PolarHBondContact O-N 3.04Å
402	I	96.4	Very high	95	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	114.5	176.4	-48.8	-61.9	0	0	0	108.1	L37 I40 V86 D394 I395 L397 T406 I408	L37-I402 HydrophobicContact CD1-CD1 4.11Å; I40-I402 HydrophobicContact CD1-CD1 3.58Å; V86-I402 HydrophobicContact CG1-CD1 4.41Å; V86-I402 HydrophobicContact CG2-CD1 4.46Å; D394-I402 WeakPolarHBondContact CA-O 3.22Å; I395-I402 HydrophobicContact CG1-CB 3.86Å; I395-I402 HydrophobicContact CG1-CG1 4.44Å; I395-I402 PolarHBondContact N-O 3.19Å; I395-I402 PolarHBondContact O-N 3.5Å; L397-I402 HydrophobicContact CB-CG1 3.88Å; L397-I402 HydrophobicContact CD2-CG1 4.39Å; I402-T406 HydrophobicContact CG2-CG2 3.8Å; I402-I408 HydrophobicContact CG2-CD1 3.92Å; I402-I408 HydrophobicContact CG2-CG1 4.26Å
403	P	95.3	Very high	95.1	Very high	36 Å²	36	36.1 Å²	36.1	23%	0.234	19%	0.192	C	C	.	.			trans	-62.3	150.8	179.5	-23.4	34.1	0	0	0	112.7	L37 D394 T406	L37-P403 HydrophobicContact CB-CG 4.46Å; L37-P403 HydrophobicContact CD2-CG 4.18Å; D394-P403 WeakPolarHBondContact OD1-CA 3.28Å; P403-T406 VanDerWaalsContact O-CB 3.24Å; P403-T406 WeakPolarHBondContact O-CB 3.38Å; P403-T406 PolarHBondContact O-N 3.13Å; P403-T406 PolarHBondContact O-OG1 3.38Å
404	Q	94.9	Very high	95.2	Very high	96 Å²	96	30.2 Å²	30.2	45%	0.449	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.6	150.5	169.1	60.7	173.4	-3.6	0	0	112.1	D392 D394 T406	D392-Q404 PolarHBondContact O-OE1 3.19Å; D394-Q404 PolarHBondContact OD1-N 3.38Å; Q404-T406 PolarHBondContact O-N 2.92Å
405	N	91.9	Very high	95.2	Very high	73 Å²	73	25.6 Å²	25.6	39%	0.39	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.3	10.1	-176.7	-47.7	-81.1	0	0	0	115.2	R14 V390 P391	R14-N405 PolarHBondContact NH1-OD1 2.68Å; V390-N405 HydrophobicContact CG1-CB 4.5Å; P391-N405 PolarHBondContact O-N 2.74Å
406	T	94.1	Very high	95.2	Very high	13 Å²	13	25.4 Å²	25.4	8%	0.08	15%	0.146	C	C	.	.			trans	-77.8	127.9	172.3	-56.9	0	0	0	0	110.4	L37 V86 P391 I402 P403 Q404 I408	L37-T406 HydrophobicContact CD1-CG2 4.27Å; V86-T406 HydrophobicContact CG2-CG2 3.72Å; P391-T406 WeakPolarHBondContact CD-O 3.44Å; I402-T406 HydrophobicContact CG2-CG2 3.8Å; P403-T406 VanDerWaalsContact O-CB 3.24Å; P403-T406 WeakPolarHBondContact O-CB 3.38Å; P403-T406 PolarHBondContact O-N 3.13Å; P403-T406 PolarHBondContact O-OG1 3.38Å; Q404-T406 PolarHBondContact O-N 2.92Å; T406-I408 PolarHBondContact O-N 2.92Å
407	L	94.4	Very high	95.2	Very high	28 Å²	28	24.3 Å²	24.3	15%	0.147	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	119.8	174.9	179.1	61.7	0	0	0	109.9	T85 V86 C108 V390	T85-L407 CarbonylContact C-O 3.59Å; T85-L407 WeakPolarHBondContact CA-O 3.28Å; T85-L407 HydrophobicContact CG2-CD2 4.35Å; T85-L407 HydrophobicContact CG2-CG 4.23Å; V86-L407 PolarHBondContact N-O 3.16Å; C108-L407 HydrophobicContact CB-CD1 3.88Å; V390-L407 HydrophobicContact CG2-CD1 4Å
408	I	96.1	Very high	95.2	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	120.3	176.7	-53.4	171.5	0	0	0	108.8	V86 V88 L97 S388 R389 P391 I395 I402 T406	V86-I408 HydrophobicContact CB-CG1 4.35Å; V86-I408 CarbonylContact O-C 3.58Å; V86-I408 VanDerWaalsContact O-CA 3.23Å; V86-I408 WeakPolarHBondContact O-CA 3.07Å; V88-I408 HydrophobicContact CG2-CG2 3.6Å; L97-I408 HydrophobicContact CD1-CD1 3.65Å; L97-I408 HydrophobicContact CD2-CB 4.13Å; L97-I408 HydrophobicContact CD2-CD1 4.27Å; L97-I408 HydrophobicContact CD2-CG2 3.63Å; S388-I408 CarbonylContact C-O 3.57Å; S388-I408 WeakPolarHBondContact CA-O 3.35Å; S388-I408 VanDerWaalsContact CB-O 3.28Å; S388-I408 WeakPolarHBondContact CB-O 3.47Å; R389-I408 PolarHBondContact N-O 3.22Å; R389-I408 PolarHBondContact O-N 3.31Å; P391-I408 HydrophobicContact CG-CD1 4.2Å; I395-I408 HydrophobicContact CD1-CD1 3.82Å; I402-I408 HydrophobicContact CG2-CD1 3.92Å; I402-I408 HydrophobicContact CG2-CG1 4.26Å; T406-I408 PolarHBondContact O-N 2.92Å
409	S	95.3	Very high	95.2	Very high	20 Å²	20	29.2 Å²	29.2	14%	0.14	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	123	175.5	-170.9	0	0	0	0	111.2	V86 Y87 V88 N387	V86-S409 PolarHBondContact O-N 3.34Å; Y87-S409 WeakPolarHBondContact CA-O 3.44Å; V88-S409 PolarHBondContact N-O 3.25Å; N387-S409 CarbonylContact O-C 3.46Å; N387-S409 WeakPolarHBondContact O-CA 3.12Å
410	L	96.1	Very high	95.2	Very high	2 Å²	2	29 Å²	29	1%	0.01	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	108.4	173	-57.4	-178.8	0	0	0	108.8	V94 L97 L98 G386 N387 H412	V94-L410 HydrophobicContact CB-CD2 4.43Å; V94-L410 HydrophobicContact CG1-CD1 4.43Å; V94-L410 HydrophobicContact CG1-CD2 4.13Å; V94-L410 HydrophobicContact CG2-CD2 3.98Å; L97-L410 HydrophobicContact CD2-CD2 3.58Å; L97-L410 HydrophobicContact CD2-CG 4.48Å; L98-L410 HydrophobicContact CD1-CD1 4.37Å; L98-L410 HydrophobicContact CD2-CD1 4.01Å; L98-L410 HydrophobicContact CG-CD1 4.39Å; G386-L410 WeakPolarHBondContact CA-O 3.26Å; N387-L410 HydrophobicContact CB-CB 4.34Å; N387-L410 HydrophobicContact CB-CD1 4.31Å; N387-L410 PolarHBondContact N-O 3.25Å; N387-L410 VanDerWaalsContact N-O 3.17Å; N387-L410 PolarHBondContact O-N 3.48Å; L410-H412 VanDerWaalsContact C-N 3.27Å; L410-H412 PolarHBondContact O-N 3.4Å
411	C	96	Very high	95.1	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.176	C	C	.	.			trans	-80.5	67.4	-174.4	-65.8	0	0	0	0	112.1	Q65 W76 V88 A89 Y413 A414 T415	Q65-C411 HydrophobicContact CB-CB 4.01Å; Q65-C411 HydrophobicContact CG-CB 4.07Å; Q65-C411 PolarHBondContact OE1-O 3.02Å; W76-C411 HydrophobicContact CH2-CB 4.34Å; W76-C411 VanDerWaalsContact CH2-SG 3.54Å; V88-C411 WeakPolarHBondContact O-CB 3.31Å; V88-C411 PolarHBondContact O-N 2.91Å; A89-C411 HydrophobicContact CB-CB 3.91Å; C411-Y413 VanDerWaalsContact C-N 3.27Å; C411-Y413 PolarHBondContact O-N 3.09Å; C411-A414 HydrophobicContact CB-CB 4.08Å; C411-A414 PolarHBondContact O-N 3.3Å; C411-A414 VanDerWaalsContact O-N 3.09Å; C411-T415 PolarHBondContact O-N 2.74Å
412	H	94.5	Very high	95.1	Very high	4 Å²	4	28.1 Å²	28.1	2%	0.019	16%	0.163	C	C	.	.	H	α-helix	trans	-58.4	-34.8	-174.9	-66.1	-30.5	0	0	0	113.8	P385 N387 L410 A414 T415 S416	P385-H412 PolarHBondContact O-N 3.46Å; N387-H412 WeakPolarHBondContact CB-NE2 3.06Å; L410-H412 VanDerWaalsContact C-N 3.27Å; L410-H412 PolarHBondContact O-N 3.4Å; H412-A414 VanDerWaalsContact C-N 3.35Å; H412-T415 WeakPolarHBondContact CA-OG1 3.45Å; H412-T415 PolarHBondContact O-OG1 3.4Å; H412-S416 WeakPolarHBondContact O-CB 3.39Å; H412-S416 PolarHBondContact O-N 2.87Å; H412-S416 PolarHBondContact O-OG 2.64Å
413	Y	95.9	Very high	94.9	Very high	19 Å²	19	32 Å²	32	8%	0.075	19%	0.189	C	C	.	.	H	α-helix	trans	-66.7	-38.5	177.7	-172	-89.2	0	0	0	111.6	H62 V66 P382 P385 C411 R417 L495	H62-Y413 HydrophobicContact CB-CD1 4.09Å; H62-Y413 HydrophobicContact CB-CD2 4.02Å; H62-Y413 HydrophobicContact CB-CE1 4.46Å; H62-Y413 HydrophobicContact CB-CE2 4.38Å; H62-Y413 HydrophobicContact CB-CG 3.86Å; H62-Y413 AromaticContact CD2-CE1 3.72Å; H62-Y413 AromaticContact CD2-CE2 3.67Å; H62-Y413 AromaticContact CD2-CZ 3.42Å; H62-Y413 VanDerWaalsContact CD2-CZ 3.42Å; H62-Y413 VanDerWaalsContact O-CD1 3.23Å; H62-Y413 WeakPolarHBondContact O-CD1 3.35Å; V66-Y413 HydrophobicContact CG2-CD1 3.75Å; V66-Y413 HydrophobicContact CG2-CE1 3.86Å; P382-Y413 HydrophobicContact CG-CD2 3.94Å; P385-Y413 PolarHBondContact O-N 3.49Å; C411-Y413 VanDerWaalsContact C-N 3.27Å; C411-Y413 PolarHBondContact O-N 3.09Å; Y413-R417 PolarHBondContact OH-NE 3.05Å; Y413-R417 PolarHBondContact OH-NH2 2.85Å; Y413-L495 HydrophobicContact CD2-CD2 4.2Å; Y413-L495 HydrophobicContact CE2-CD2 4.07Å
414	A	96.4	Very high	94.9	Very high	9 Å²	9	37.1 Å²	37.1	7%	0.074	21%	0.209	C	C	.	.	H	α-helix	trans	-71.3	-47.8	175.2	0	0	0	0	0	112.3	Q65 V66 A69 A89 C411 H412 S416 R417 D418	Q65-A414 HydrophobicContact CB-CB 3.83Å; V66-A414 HydrophobicContact CG2-CB 4.35Å; A69-A414 HydrophobicContact CB-CB 4.46Å; A89-A414 HydrophobicContact CB-CB 4.03Å; C411-A414 HydrophobicContact CB-CB 4.08Å; C411-A414 PolarHBondContact O-N 3.3Å; C411-A414 VanDerWaalsContact O-N 3.09Å; H412-A414 VanDerWaalsContact C-N 3.35Å; A414-S416 PolarHBondContact O-N 2.99Å; A414-R417 CarbonylContact O-C 3.46Å; A414-R417 WeakPolarHBondContact O-CA 3.5Å; A414-R417 PolarHBondContact O-N 2.95Å; A414-D418 PolarHBondContact O-N 2.74Å; A414-D418 VanDerWaalsContact O-N 3.17Å
415	T	95.9	Very high	95	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-60.9	-34.9	179	61.9	0	0	0	0	112	A89 V94 C411 H412 R417 D418 A444	A89-T415 WeakPolarHBondContact O-CG2 3.25Å; V94-T415 HydrophobicContact CG2-CG2 4.5Å; C411-T415 PolarHBondContact O-N 2.74Å; H412-T415 WeakPolarHBondContact CA-OG1 3.45Å; H412-T415 PolarHBondContact O-OG1 3.4Å; T415-R417 PolarHBondContact O-N 2.84Å; T415-D418 PolarHBondContact O-N 2.84Å; T415-A444 CarbonylContact C-O 3.56Å; T415-A444 WeakPolarHBondContact CB-O 3.26Å; T415-A444 PolarHBondContact OG1-O 2.75Å
416	S	95.4	Very high	95.1	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.014	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-11.1	177.5	-60	0	0	0	0	113.3	R379 H412 A414 F422 A444	R379-S416 PolarHBondContact NH1-O 3.41Å; R379-S416 WeakPolarHBondContact O-CB 3.34Å; H412-S416 WeakPolarHBondContact O-CB 3.39Å; H412-S416 PolarHBondContact O-N 2.87Å; H412-S416 PolarHBondContact O-OG 2.64Å; A414-S416 PolarHBondContact O-N 2.99Å; S416-F422 WeakPolarHBondContact O-CD2 3.39Å; S416-A444 PolarHBondContact N-O 2.63Å
417	R	95.4	Very high	95.2	Very high	28 Å²	28	37.6 Å²	37.6	11%	0.106	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.2	9.7	179.3	-77.1	176.6	168.8	68.8	1.7	113.8	L380 Y413 A414 T415 P419 P425 N426	L380-R417 VanDerWaalsContact O-CZ 3.25Å; L380-R417 PolarHBondContact O-NH1 2.9Å; L380-R417 PolarHBondContact O-NH2 2.87Å; Y413-R417 PolarHBondContact OH-NE 3.05Å; Y413-R417 PolarHBondContact OH-NH2 2.85Å; A414-R417 CarbonylContact O-C 3.46Å; A414-R417 WeakPolarHBondContact O-CA 3.5Å; A414-R417 PolarHBondContact O-N 2.95Å; T415-R417 PolarHBondContact O-N 2.84Å; R417-P419 VanDerWaalsContact O-CD 3.29Å; R417-P419 WeakPolarHBondContact O-CD 3.39Å; R417-P425 HydrophobicContact CB-CB 4.34Å; R417-P425 WeakPolarHBondContact O-CB 3.49Å; R417-P425 WeakPolarHBondContact O-CG 3.43Å; R417-N426 PolarHBondContact NE-OD1 3.42Å
418	D	95	Very high	95.4	Very high	47 Å²	47	37 Å²	37	25%	0.251	22%	0.216	S	C	.	.			trans	-69.7	114.9	174.9	-178.5	-3.5	0	0	0	109.7	A414 T415 A420 Q421 F422	A414-D418 PolarHBondContact O-N 2.74Å; A414-D418 VanDerWaalsContact O-N 3.17Å; T415-D418 PolarHBondContact O-N 2.84Å; D418-A420 PolarHBondContact O-N 2.82Å; D418-A420 VanDerWaalsContact OD1-CB 3.31Å; D418-A420 WeakPolarHBondContact OD1-CB 3.25Å; D418-A420 PolarHBondContact OD1-N 2.89Å; D418-Q421 HydrophobicContact CB-CB 4.33Å; D418-Q421 HydrophobicContact CB-CG 4.07Å; D418-Q421 PolarHBondContact O-N 3.38Å; D418-F422 PolarHBondContact O-N 3.04Å
419	P	94.4	Very high	95.4	Very high	87 Å²	87	40.1 Å²	40.1	57%	0.565	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-21	179.5	26.9	-34.8	0	0	0	113.4	R417 Q421 F422 P425	R417-P419 VanDerWaalsContact O-CD 3.29Å; R417-P419 WeakPolarHBondContact O-CD 3.39Å; P419-Q421 VanDerWaalsContact C-N 3.26Å; P419-Q421 PolarHBondContact O-N 3.31Å; P419-F422 WeakPolarHBondContact CA-O 3.34Å; P419-P425 HydrophobicContact CB-CG 4.22Å
420	A	93.4	Very high	95.4	Very high	79 Å²	79	39.4 Å²	39.4	65%	0.653	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-23.7	173.8	0	0	0	0	0	112.5	D418	D418-A420 PolarHBondContact O-N 2.82Å; D418-A420 VanDerWaalsContact OD1-CB 3.31Å; D418-A420 WeakPolarHBondContact OD1-CB 3.25Å; D418-A420 PolarHBondContact OD1-N 2.89Å
421	Q	94.6	Very high	95.3	Very high	47 Å²	47	40.4 Å²	40.4	22%	0.22	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-34.9	176.5	-57.4	-56.3	-53.5	0	0	112	P91 D418 P419 P440 A444	P91-Q421 HydrophobicContact CG-CG 3.87Å; D418-Q421 HydrophobicContact CB-CB 4.33Å; D418-Q421 HydrophobicContact CB-CG 4.07Å; D418-Q421 PolarHBondContact O-N 3.38Å; P419-Q421 VanDerWaalsContact C-N 3.26Å; P419-Q421 PolarHBondContact O-N 3.31Å; Q421-P440 HydrophobicContact CB-CB 4.48Å; Q421-A444 HydrophobicContact CB-CB 4.04Å; Q421-A444 HydrophobicContact CG-CB 3.98Å
422	F	95.1	Very high	95.2	Very high	1 Å²	1	42.1 Å²	42.1	0%	0.004	24%	0.243	C	C	.	.	S	Bend	trans	-133.6	95.4	-174.4	-58.2	-74	0	0	0	109.8	R379 S416 D418 P419 E424 P425 W433 P440 A444	R379-F422 VanDerWaalsContact CD-CD1 3.43Å; R379-F422 HydrophobicContact CG-CE1 4.34Å; R379-F422 HydrophobicContact CG-CE2 4.4Å; R379-F422 HydrophobicContact CG-CZ 4.21Å; S416-F422 WeakPolarHBondContact O-CD2 3.39Å; D418-F422 PolarHBondContact O-N 3.04Å; P419-F422 WeakPolarHBondContact CA-O 3.34Å; F422-E424 PolarHBondContact O-N 3.31Å; F422-P425 HydrophobicContact CB-CB 4.27Å; F422-P425 WeakPolarHBondContact O-CA 3.25Å; F422-P425 WeakPolarHBondContact O-CB 3.15Å; F422-P425 VanDerWaalsContact O-CD 3.23Å; F422-P425 WeakPolarHBondContact O-CD 3.36Å; F422-W433 AromaticContact CE1-CH2 3.87Å; F422-W433 HydrophobicContact CE1-CH2 3.87Å; F422-W433 HydrophobicContact CE1-CZ2 4.03Å; F422-W433 HydrophobicContact CZ-CH2 4.21Å; F422-P440 HydrophobicContact CD1-CB 4.27Å; F422-P440 HydrophobicContact CE1-CB 3.64Å; F422-P440 HydrophobicContact CE1-CG 3.71Å; F422-P440 HydrophobicContact CZ-CB 3.81Å; F422-P440 HydrophobicContact CZ-CG 4.17Å; F422-A444 HydrophobicContact CE2-CB 3.74Å; F422-A444 HydrophobicContact CZ-CB 3.91Å
423	P	93.5	Very high	95.2	Very high	82 Å²	82	44.8 Å²	44.8	53%	0.532	25%	0.253	S	S	.	.	S	Bend	trans	-53	137.3	169.6	-25.6	34.9	0	0	0	110.5	R432	P423-R432 PolarHBondContact O-NH1 3.43Å
424	E	94.9	Very high	95	Very high	143 Å²	143	46 Å²	46	67%	0.668	26%	0.26	S	S	*	.	S	Bend	trans	48.1	63.7	-171.2	-60.5	-178.1	97.2	0	0	111.7	F422 N426 S427	F422-E424 PolarHBondContact O-N 3.31Å; E424-N426 PolarHBondContact O-N 3.19Å; E424-S427 WeakPolarHBondContact O-CB 3.32Å; E424-S427 PolarHBondContact O-N 2.8Å
425	P	95.6	Very high	94.4	Very high	20 Å²	20	48.8 Å²	48.8	13%	0.13	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-19.4	-164.7	21.8	-31.5	0	0	0	113.9	R379 L380 R417 P419 F422	R379-P425 PolarHBondContact NH1-O 2.96Å; R379-P425 PolarHBondContact NH2-O 2.88Å; R379-P425 VanDerWaalsContact NH2-O 3.1Å; L380-P425 WeakPolarHBondContact CD2-O 3.44Å; R417-P425 HydrophobicContact CB-CB 4.34Å; R417-P425 WeakPolarHBondContact O-CB 3.49Å; R417-P425 WeakPolarHBondContact O-CG 3.43Å; P419-P425 HydrophobicContact CB-CG 4.22Å; F422-P425 HydrophobicContact CB-CB 4.27Å; F422-P425 WeakPolarHBondContact O-CA 3.25Å; F422-P425 WeakPolarHBondContact O-CB 3.15Å; F422-P425 VanDerWaalsContact O-CD 3.23Å; F422-P425 WeakPolarHBondContact O-CD 3.36Å
426	N	95.9	Very high	93.4	Very high	118 Å²	118	55.3 Å²	55.3	63%	0.631	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	-4.9	179.1	-62.8	-50.9	0	0	0	113.3	R417 E424	R417-N426 PolarHBondContact NE-OD1 3.42Å; E424-N426 PolarHBondContact O-N 3.19Å
427	S	96	Very high	92.5	Very high	54 Å²	54	58 Å²	58	38%	0.378	35%	0.349	S	S	.	.	S	Bend	trans	-86.7	141.5	178.6	-57.6	0	0	0	0	111	R379 E424 N429 R432	R379-S427 PolarHBondContact NH2-O 2.83Å; R379-S427 VanDerWaalsContact NH2-O 3.1Å; E424-S427 WeakPolarHBondContact O-CB 3.32Å; E424-S427 PolarHBondContact O-N 2.8Å; S427-N429 PolarHBondContact O-N 3.26Å; S427-R432 PolarHBondContact O-NH2 2.88Å
428	F	97.6	Very high	91.9	Very high	14 Å²	14	62.5 Å²	62.5	6%	0.061	38%	0.382	C	S	.	.			trans	-79.1	103.6	171.8	176.9	-111.5	0	0	0	109.5	E332 L333 H336 I339 V373 E376 V377 L380 P430	E332-F428 HydrophobicContact CB-CD1 4Å; E332-F428 HydrophobicContact CB-CD2 3.94Å; E332-F428 HydrophobicContact CB-CE1 4.04Å; E332-F428 HydrophobicContact CB-CE2 4.03Å; E332-F428 HydrophobicContact CB-CG 3.93Å; E332-F428 HydrophobicContact CB-CZ 4.06Å; E332-F428 HydrophobicContact CG-CB 4.43Å; E332-F428 HydrophobicContact CG-CD2 3.95Å; E332-F428 HydrophobicContact CG-CE2 4.38Å; E332-F428 HydrophobicContact CG-CG 4.09Å; L333-F428 HydrophobicContact CD2-CE1 4.39Å; L333-F428 HydrophobicContact CD2-CZ 4.39Å; H336-F428 HydrophobicContact CB-CD1 4.34Å; H336-F428 HydrophobicContact CB-CE1 4.43Å; H336-F428 AromaticContact CE1-CD1 3.71Å; H336-F428 AromaticContact CG-CD1 3.75Å; H336-F428 AromaticContact ND1-CD1 3.49Å; H336-F428 WeakPolarHBondContact ND1-CD1 3.32Å; I339-F428 HydrophobicContact CD1-CD1 3.81Å; I339-F428 HydrophobicContact CD1-CE1 3.61Å; I339-F428 HydrophobicContact CG2-CE1 4.21Å; V373-F428 HydrophobicContact CG1-CZ 4.09Å; V373-F428 HydrophobicContact CG2-CZ 4.24Å; E376-F428 HydrophobicContact CB-CD2 4.3Å; E376-F428 HydrophobicContact CB-CE2 4.03Å; E376-F428 HydrophobicContact CG-CD2 3.55Å; E376-F428 HydrophobicContact CG-CE2 3.78Å; E376-F428 HydrophobicContact CG-CG 4.48Å; V377-F428 HydrophobicContact CG2-CE2 3.86Å; L380-F428 HydrophobicContact CD1-CB 3.94Å; L380-F428 HydrophobicContact CD1-CD2 4.05Å; F428-P430 HydrophobicContact CE1-CG 3.91Å; F428-P430 HydrophobicContact CE2-CG 4.01Å; F428-P430 HydrophobicContact CZ-CG 3.6Å
429	N	95.5	Very high	91.5	Very high	67 Å²	67	64.6 Å²	64.6	36%	0.358	41%	0.406	S	S	.	.			trans	-137.6	93.8	179.7	-179.2	0.8	0	0	0	110.9	E376 S427 A431 R432	E376-N429 PolarHBondContact OE1-N 3.2Å; S427-N429 PolarHBondContact O-N 3.26Å; N429-A431 PolarHBondContact O-N 2.86Å; N429-A431 WeakPolarHBondContact OD1-CB 3.49Å; N429-A431 PolarHBondContact OD1-N 2.77Å; N429-R432 WeakPolarHBondContact O-CG 3.42Å; N429-R432 PolarHBondContact O-NE 2.86Å; N429-R432 VanDerWaalsContact O-NE 3.11Å
430	P	96.2	Very high	91.5	Very high	4 Å²	4	61.6 Å²	61.6	3%	0.026	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-62.7	-24.4	176.2	-24.4	35.4	0	0	0	114.4	I339 L369 A372 V373 E376 F428 R432 W433	I339-P430 HydrophobicContact CD1-CG 4.12Å; I339-P430 HydrophobicContact CG2-CG 4.16Å; L369-P430 HydrophobicContact CD1-CB 4.19Å; A372-P430 HydrophobicContact CB-CB 4.09Å; V373-P430 HydrophobicContact CB-CG 4.5Å; V373-P430 HydrophobicContact CG2-CB 3.82Å; V373-P430 HydrophobicContact CG2-CG 3.54Å; E376-P430 HydrophobicContact CB-CG 4.47Å; F428-P430 HydrophobicContact CE1-CG 3.91Å; F428-P430 HydrophobicContact CE2-CG 4.01Å; F428-P430 HydrophobicContact CZ-CG 3.6Å; P430-R432 PolarHBondContact O-N 3.15Å; P430-R432 VanDerWaalsContact O-N 3.09Å; P430-W433 PolarHBondContact O-N 3.46Å
431	A	93.9	Very high	91.5	Very high	24 Å²	24	60.3 Å²	60.3	20%	0.198	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-60	-26	-175.2	0	0	0	0	0	112.9	N429 W433 L434	N429-A431 PolarHBondContact O-N 2.86Å; N429-A431 WeakPolarHBondContact OD1-CB 3.49Å; N429-A431 PolarHBondContact OD1-N 2.77Å; A431-W433 PolarHBondContact O-N 3.01Å; A431-L434 WeakPolarHBondContact O-CB 3.38Å; A431-L434 PolarHBondContact O-N 3.04Å
432	R	93.2	Very high	91.5	Very high	35 Å²	35	63 Å²	63	13%	0.132	39%	0.388	C	S	.	.	G	3₁₀ helix	trans	-57.5	-21.2	174	80.2	178.1	80.4	-109.9	12.2	114	E376 P423 S427 N429 P430	E376-R432 IonicContact OE1-CZ 3.12Å; E376-R432 VanDerWaalsContact OE1-CZ 3.28Å; E376-R432 IonicContact OE1-NE 2.64Å; E376-R432 PolarHBondContact OE1-NE 3.23Å; E376-R432 IonicContact OE1-NH2 2.61Å; E376-R432 PolarHBondContact OE1-NH2 3.08Å; E376-R432 WeakPolarHBondContact OE2-CD 3.2Å; E376-R432 IonicContact OE2-CZ 2.86Å; E376-R432 IonicContact OE2-NE 3.98Å; E376-R432 PolarHBondContact OE2-NE 3.31Å; P423-R432 PolarHBondContact O-NH1 3.43Å; S427-R432 PolarHBondContact O-NH2 2.88Å; N429-R432 WeakPolarHBondContact O-CG 3.42Å; N429-R432 PolarHBondContact O-NE 2.86Å; N429-R432 VanDerWaalsContact O-NE 3.11Å; P430-R432 PolarHBondContact O-N 3.15Å; P430-R432 VanDerWaalsContact O-N 3.09Å
433	W	94.6	Very high	91.5	Very high	61 Å²	61	63.4 Å²	63.4	23%	0.231	39%	0.39	C	S	.	.	G	3₁₀ helix	trans	-98.6	-1.7	179.2	-54.2	106.7	0	0	0	113.4	A372 K375 E376 R379 F422 P430 A431 P440	A372-W433 HydrophobicContact CB-CB 3.79Å; A372-W433 VanDerWaalsContact O-CD1 3.32Å; K375-W433 HydrophobicContact CB-CD2 3.98Å; K375-W433 HydrophobicContact CB-CG 4.03Å; K375-W433 HydrophobicContact CB-CZ2 4.46Å; K375-W433 HydrophobicContact CD-CB 4.42Å; K375-W433 HydrophobicContact CD-CD2 4.09Å; K375-W433 HydrophobicContact CD-CE3 4.07Å; K375-W433 HydrophobicContact CD-CG 4.26Å; E376-W433 PolarHBondContact OE2-NE1 3.47Å; R379-W433 HydrophobicContact CB-CZ2 4.12Å; R379-W433 HydrophobicContact CG-CZ2 4.36Å; F422-W433 AromaticContact CE1-CH2 3.87Å; F422-W433 HydrophobicContact CE1-CH2 3.87Å; F422-W433 HydrophobicContact CE1-CZ2 4.03Å; F422-W433 HydrophobicContact CZ-CH2 4.21Å; P430-W433 PolarHBondContact O-N 3.46Å; A431-W433 PolarHBondContact O-N 3.01Å; W433-P440 HydrophobicContact CH2-CG 4.45Å; W433-P440 HydrophobicContact CZ3-CG 4.13Å
434	L	92.9	Very high	91.6	Very high	43 Å²	43	59.5 Å²	59.5	23%	0.225	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-4.1	-178.3	-62.3	179.4	0	0	0	113.4	R368 L369 A372 A431	R368-L434 HydrophobicContact CB-CD2 4.06Å; R368-L434 PolarHBondContact NH2-O 3.18Å; L369-L434 HydrophobicContact CD1-CD1 4.1Å; A372-L434 HydrophobicContact CB-CD2 3.77Å; A372-L434 HydrophobicContact CB-CG 4.11Å; A431-L434 WeakPolarHBondContact O-CB 3.38Å; A431-L434 PolarHBondContact O-N 3.04Å
435	G	83.4	Confident	91.6	Very high	69 Å²	69	53.6 Å²	53.6	71%	0.711	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.2	11.2	-178	0	0	0	0	0	113.7	G437	G435-G437 PolarHBondContact O-N 3.34Å
436	E	75.6	Confident	91.6	Very high	136 Å²	136	53.5 Å²	53.5	64%	0.636	34%	0.337	S	S	*	.			trans	-87	102.3	175.3	-63.2	177.3	-160.6	0	0	109.1
437	G	76.7	Confident	91.4	Very high	59 Å²	59	49.8 Å²	49.8	61%	0.608	32%	0.319	S	S	*	.	S	Bend	trans	101.7	-176.1	176.6	0	0	0	0	0	115.5	G435 A439	G435-G437 PolarHBondContact O-N 3.34Å; G437-A439 PolarHBondContact O-N 3.45Å
438	P	82.1	Confident	91.4	Very high	122 Å²	122	48.7 Å²	48.7	79%	0.792	31%	0.308	S	S	*	.	S	Bend	trans	-64.8	126.9	179.8	26.4	-32.4	0	0	0	110.2
439	A	86.9	Confident	91.3	Very high	92 Å²	92	48.6 Å²	48.6	76%	0.76	31%	0.311	S	S	*	.	P	Polyproline II helix	trans	-66.4	131.3	177.9	0	0	0	0	0	109.9	G437	G437-A439 PolarHBondContact O-N 3.45Å
440	P	92.8	Very high	91.2	Very high	24 Å²	24	49.4 Å²	49.4	16%	0.156	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-63.1	157.7	173.6	29	-36	0	0	0	109.8	Q421 F422 W433 A444	Q421-P440 HydrophobicContact CB-CB 4.48Å; F422-P440 HydrophobicContact CD1-CB 4.27Å; F422-P440 HydrophobicContact CE1-CB 3.64Å; F422-P440 HydrophobicContact CE1-CG 3.71Å; F422-P440 HydrophobicContact CZ-CB 3.81Å; F422-P440 HydrophobicContact CZ-CG 4.17Å; W433-P440 HydrophobicContact CH2-CG 4.45Å; W433-P440 HydrophobicContact CZ3-CG 4.13Å; P440-A444 HydrophobicContact CB-CB 4.44Å
441	H	95.2	Very high	91.1	Very high	52 Å²	52	50.6 Å²	50.6	24%	0.241	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-54.1	134.9	172.3	-168.2	-86.3	0	0	0	110.5	P91 E95 F443 A444	P91-H441 HydrophobicContact CB-CB 3.72Å; P91-H441 WeakPolarHBondContact CB-ND1 3.26Å; P91-H441 HydrophobicContact CG-CB 4.34Å; E95-H441 IonicContact OE2-CE1 3.28Å; E95-H441 PolarHBondContact OE2-CE1 3.18Å; E95-H441 IonicContact OE2-NE2 3.99Å; E95-H441 PolarHBondContact OE2-NE2 2.8Å; E95-H441 VanDerWaalsContact OE2-NE2 3.11Å; H441-F443 AromaticContact CE1-CD2 3.75Å; H441-F443 AromaticContact ND1-CD2 3.99Å; H441-F443 PolarHBondContact ND1-N 3Å; H441-F443 PolarHBondContact O-N 2.95Å; H441-A444 HydrophobicContact CB-CB 4.22Å; H441-A444 WeakPolarHBondContact O-CB 3.02Å; H441-A444 PolarHBondContact O-N 3.08Å
442	P	93.8	Very high	91	Very high	103 Å²	103	54.9 Å²	54.9	67%	0.669	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-23.9	-175.5	-28.2	35.5	0	0	0	114.9
443	F	95.4	Very high	91.1	Very high	10 Å²	10	53.9 Å²	53.9	4%	0.044	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	2.9	177.5	-65.9	-101.8	0	0	0	114.1	V94 E95 L98 H441 S445 L446 F450	V94-F443 HydrophobicContact CG1-CB 4.27Å; V94-F443 HydrophobicContact CG1-CD1 4.26Å; E95-F443 HydrophobicContact CB-CB 4.31Å; E95-F443 HydrophobicContact CB-CD1 4.09Å; E95-F443 HydrophobicContact CB-CD2 3.62Å; E95-F443 HydrophobicContact CB-CE1 4.31Å; E95-F443 HydrophobicContact CB-CE2 3.87Å; E95-F443 HydrophobicContact CB-CG 3.75Å; E95-F443 HydrophobicContact CB-CZ 4.21Å; E95-F443 HydrophobicContact CG-CD2 3.83Å; E95-F443 HydrophobicContact CG-CE1 4.43Å; E95-F443 HydrophobicContact CG-CE2 3.56Å; E95-F443 HydrophobicContact CG-CG 4.39Å; E95-F443 HydrophobicContact CG-CZ 3.9Å; L98-F443 HydrophobicContact CB-CE1 4.18Å; L98-F443 HydrophobicContact CD1-CD1 3.64Å; L98-F443 HydrophobicContact CD1-CE1 3.71Å; H441-F443 AromaticContact CE1-CD2 3.75Å; H441-F443 AromaticContact ND1-CD2 3.99Å; H441-F443 PolarHBondContact ND1-N 3Å; H441-F443 PolarHBondContact O-N 2.95Å; F443-S445 VanDerWaalsContact C-N 3.33Å; F443-L446 HydrophobicContact CB-CD1 4.14Å; F443-L446 HydrophobicContact CD1-CD1 3.73Å; F443-L446 HydrophobicContact CD1-CD2 4.34Å; F443-L446 HydrophobicContact CG-CD1 4.35Å; F443-F450 HydrophobicContact CE1-CB 4.37Å; F443-F450 AromaticContact CE1-CD1 3.87Å; F443-F450 HydrophobicContact CE1-CD1 3.87Å; F443-F450 AromaticContact CE1-CD2 3.75Å; F443-F450 HydrophobicContact CE1-CD2 3.75Å; F443-F450 HydrophobicContact CE1-CE1 4.05Å; F443-F450 AromaticContact CE1-CE2 3.94Å; F443-F450 HydrophobicContact CE1-CE2 3.94Å; F443-F450 AromaticContact CE1-CG 3.72Å; F443-F450 HydrophobicContact CE1-CG 3.72Å; F443-F450 HydrophobicContact CE1-CZ 4.09Å; F443-F450 HydrophobicContact CZ-CD1 4.36Å; F443-F450 AromaticContact CZ-CD2 3.99Å; F443-F450 HydrophobicContact CZ-CD2 3.99Å; F443-F450 HydrophobicContact CZ-CE1 4.09Å; F443-F450 AromaticContact CZ-CE2 3.7Å; F443-F450 HydrophobicContact CZ-CE2 3.7Å; F443-F450 HydrophobicContact CZ-CG 4.32Å; F443-F450 AromaticContact CZ-CZ 3.75Å; F443-F450 HydrophobicContact CZ-CZ 3.75Å
444	A	95.2	Very high	91.1	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	34%	0.335	C	S	.	.	S	Bend	trans	-70.8	-29.9	178.1	0	0	0	0	0	112.5	P91 T415 S416 Q421 F422 P440 H441	P91-A444 HydrophobicContact CB-CB 4.15Å; P91-A444 HydrophobicContact CG-CB 3.78Å; T415-A444 CarbonylContact C-O 3.56Å; T415-A444 WeakPolarHBondContact CB-O 3.26Å; T415-A444 PolarHBondContact OG1-O 2.75Å; S416-A444 PolarHBondContact N-O 2.63Å; Q421-A444 HydrophobicContact CB-CB 4.04Å; Q421-A444 HydrophobicContact CG-CB 3.98Å; F422-A444 HydrophobicContact CE2-CB 3.74Å; F422-A444 HydrophobicContact CZ-CB 3.91Å; P440-A444 HydrophobicContact CB-CB 4.44Å; H441-A444 HydrophobicContact CB-CB 4.22Å; H441-A444 WeakPolarHBondContact O-CB 3.02Å; H441-A444 PolarHBondContact O-N 3.08Å
445	S	95.1	Very high	91.3	Very high	19 Å²	19	52.6 Å²	52.6	13%	0.133	34%	0.338	C	S	.	.			trans	-133.1	113.6	173.5	-171.4	0	0	0	0	110.8	F443 P447	F443-S445 VanDerWaalsContact C-N 3.33Å; S445-P447 VanDerWaalsContact C-CD 3.46Å
446	L	94.8	Very high	91.9	Very high	17 Å²	17	50.1 Å²	50.1	9%	0.089	31%	0.309	C	S	.	.			trans	-127.9	61.8	-177.1	-64.7	171.8	0	0	0	111.5	V94 L98 F443 F448 G449 F450	V94-L446 HydrophobicContact CG1-CD1 3.76Å; L98-L446 HydrophobicContact CD1-CD1 3.85Å; F443-L446 HydrophobicContact CB-CD1 4.14Å; F443-L446 HydrophobicContact CD1-CD1 3.73Å; F443-L446 HydrophobicContact CD1-CD2 4.34Å; F443-L446 HydrophobicContact CG-CD1 4.35Å; L446-F448 PolarHBondContact O-N 2.82Å; L446-F448 VanDerWaalsContact O-N 3.1Å; L446-G449 PolarHBondContact O-N 2.88Å; L446-F450 HydrophobicContact CD2-CB 4.48Å
447	P	93.1	Very high	92.8	Very high	40 Å²	40	44.6 Å²	44.6	26%	0.26	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-23.6	-172.8	26	-35.5	0	0	0	113.9	L378 S445	L378-P447 HydrophobicContact CB-CB 3.67Å; L378-P447 HydrophobicContact CB-CG 3.91Å; L378-P447 HydrophobicContact CD1-CB 4.06Å; L378-P447 HydrophobicContact CD1-CG 4.09Å; L378-P447 HydrophobicContact CD2-CB 4.14Å; L378-P447 HydrophobicContact CG-CB 4.18Å; S445-P447 VanDerWaalsContact C-CD 3.46Å
448	F	95.8	Very high	93.7	Very high	31 Å²	31	46.3 Å²	46.3	14%	0.136	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	8.1	175.4	-64.3	-73.5	0	0	0	113.3	L378 L446 C455 R458 A461 E462	L378-F448 HydrophobicContact CD1-CE2 3.67Å; L378-F448 HydrophobicContact CD1-CZ 3.88Å; L446-F448 PolarHBondContact O-N 2.82Å; L446-F448 VanDerWaalsContact O-N 3.1Å; F448-C455 HydrophobicContact CB-CB 3.92Å; F448-C455 HydrophobicContact CD1-CB 3.86Å; F448-C455 HydrophobicContact CG-CB 4.4Å; F448-C455 WeakPolarHBondContact O-CB 3.16Å; F448-C455 PolarHBondContact O-N 2.76Å; F448-R458 HydrophobicContact CB-CB 4.34Å; F448-R458 HydrophobicContact CB-CG 4.12Å; F448-R458 HydrophobicContact CD1-CB 3.9Å; F448-R458 HydrophobicContact CD1-CG 3.88Å; F448-R458 HydrophobicContact CD2-CG 3.86Å; F448-R458 HydrophobicContact CE1-CB 4.39Å; F448-R458 HydrophobicContact CE1-CG 4.24Å; F448-R458 HydrophobicContact CE2-CG 4.22Å; F448-R458 HydrophobicContact CG-CB 4.08Å; F448-R458 HydrophobicContact CG-CG 3.67Å; F448-R458 HydrophobicContact CZ-CG 4.4Å; F448-A461 HydrophobicContact CE1-CB 4.29Å; F448-E462 HydrophobicContact CE2-CG 4.27Å; F448-E462 HydrophobicContact CZ-CG 4.26Å
449	G	94.3	Very high	94.3	Very high	13 Å²	13	44.8 Å²	44.8	13%	0.134	26%	0.255	C	S	.	.			trans	64.7	-168.7	-169.8	0	0	0	0	0	113.2	L446	L446-G449 PolarHBondContact O-N 2.88Å
450	F	94.6	Very high	94.5	Very high	84 Å²	84	40.7 Å²	40.7	37%	0.368	22%	0.22	S	C	.	.			trans	-137.8	164.9	-176.8	-175.8	-94.4	0	0	0	110.8	L98 R389 F443 L446 S454	L98-F450 HydrophobicContact CB-CD1 3.87Å; L98-F450 HydrophobicContact CB-CE1 4.43Å; L98-F450 HydrophobicContact CD1-CB 3.83Å; L98-F450 HydrophobicContact CD1-CD1 4.27Å; L98-F450 HydrophobicContact CD1-CG 4.29Å; R389-F450 PolarHBondContact NH2-O 2.98Å; F443-F450 HydrophobicContact CE1-CB 4.37Å; F443-F450 AromaticContact CE1-CD1 3.87Å; F443-F450 HydrophobicContact CE1-CD1 3.87Å; F443-F450 AromaticContact CE1-CD2 3.75Å; F443-F450 HydrophobicContact CE1-CD2 3.75Å; F443-F450 HydrophobicContact CE1-CE1 4.05Å; F443-F450 AromaticContact CE1-CE2 3.94Å; F443-F450 HydrophobicContact CE1-CE2 3.94Å; F443-F450 AromaticContact CE1-CG 3.72Å; F443-F450 HydrophobicContact CE1-CG 3.72Å; F443-F450 HydrophobicContact CE1-CZ 4.09Å; F443-F450 HydrophobicContact CZ-CD1 4.36Å; F443-F450 AromaticContact CZ-CD2 3.99Å; F443-F450 HydrophobicContact CZ-CD2 3.99Å; F443-F450 HydrophobicContact CZ-CE1 4.09Å; F443-F450 AromaticContact CZ-CE2 3.7Å; F443-F450 HydrophobicContact CZ-CE2 3.7Å; F443-F450 HydrophobicContact CZ-CG 4.32Å; F443-F450 AromaticContact CZ-CZ 3.75Å; F443-F450 HydrophobicContact CZ-CZ 3.75Å; L446-F450 HydrophobicContact CD2-CB 4.48Å; F450-S454 PolarHBondContact O-N 3.2Å
451	G	93.7	Very high	94.7	Very high	29 Å²	29	40.1 Å²	40.1	30%	0.299	22%	0.217	S	C	.	.	S	Bend	trans	77.4	-167.1	171.8	0	0	0	0	0	114.3	R453 S454	G451-R453 PolarHBondContact O-N 3.15Å; G451-S454 VanDerWaalsContact O-CB 3.25Å; G451-S454 WeakPolarHBondContact O-CB 3.25Å; G451-S454 PolarHBondContact O-N 2.89Å; G451-S454 VanDerWaalsContact O-N 3.09Å; G451-S454 PolarHBondContact O-OG 2.89Å
452	K	92.8	Very high	94.7	Very high	113 Å²	113	39.1 Å²	39.1	49%	0.491	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-32.4	-176.4	-68.3	-178.6	175.1	-176.4	0	112.6	P103 P105 W134 R138	P103-K452 WeakPolarHBondContact O-CD 3.33Å; P103-K452 PolarHBondContact O-NZ 2.97Å; P105-K452 HydrophobicContact CG-CB 4.42Å; W134-K452 HydrophobicContact CH2-CB 4.01Å; R138-K452 PolarHBondContact NE-O 3.35Å; R138-K452 PolarHBondContact NH2-O 3.32Å
453	R	94.6	Very high	94.6	Very high	15 Å²	15	34.8 Å²	34.8	6%	0.057	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	29.5	176.3	-155.5	158.9	-175.7	178.7	-0.2	112.6	P105 R107 A129 D130 W134 G451	P105-R453 HydrophobicContact CB-CB 4.14Å; P105-R453 HydrophobicContact CG-CB 4.26Å; P105-R453 WeakPolarHBondContact O-CD 3.47Å; P105-R453 PolarHBondContact O-NH1 3.12Å; R107-R453 PolarHBondContact NH2-O 2.99Å; A129-R453 PolarHBondContact O-NH2 3.26Å; D130-R453 IonicContact OD1-CZ 3.74Å; D130-R453 VanDerWaalsContact OD1-CZ 3.24Å; D130-R453 IonicContact OD1-NH1 3.78Å; D130-R453 PolarHBondContact OD1-NH1 3.11Å; D130-R453 IonicContact OD1-NH2 3.45Å; D130-R453 PolarHBondContact OD1-NH2 3.4Å; W134-R453 HydrophobicContact CH2-CB 4.06Å; W134-R453 HydrophobicContact CH2-CG 4.41Å; W134-R453 HydrophobicContact CZ2-CB 3.55Å; W134-R453 HydrophobicContact CZ2-CG 3.51Å; G451-R453 PolarHBondContact O-N 3.15Å
454	S	95	Very high	94.6	Very high	31 Å²	31	34.5 Å²	34.5	22%	0.217	18%	0.183	C	C	.	.	S	Bend	trans	-66.5	164.8	165.4	52.9	0	0	0	0	112.1	R138 F450 G451 I456	R138-S454 VanDerWaalsContact CZ-O 3.31Å; R138-S454 PolarHBondContact NH1-O 3.41Å; R138-S454 PolarHBondContact NH2-O 2.84Å; R138-S454 PolarHBondContact NH2-OG 2.99Å; F450-S454 PolarHBondContact O-N 3.2Å; G451-S454 VanDerWaalsContact O-CB 3.25Å; G451-S454 WeakPolarHBondContact O-CB 3.25Å; G451-S454 PolarHBondContact O-N 2.89Å; G451-S454 VanDerWaalsContact O-N 3.09Å; G451-S454 PolarHBondContact O-OG 2.89Å; S454-I456 PolarHBondContact O-N 3.06Å
455	C	96.5	Very high	94.6	Very high	45 Å²	45	34.6 Å²	34.6	30%	0.304	18%	0.183	S	C	.	.			trans	-50.8	122.7	180	-178.4	0	0	0	0	111.5	L146 F448 G457 R458	L146-C455 WeakPolarHBondContact CD2-O 3.06Å; F448-C455 HydrophobicContact CB-CB 3.92Å; F448-C455 HydrophobicContact CD1-CB 3.86Å; F448-C455 HydrophobicContact CG-CB 4.4Å; F448-C455 WeakPolarHBondContact O-CB 3.16Å; F448-C455 PolarHBondContact O-N 2.76Å; C455-G457 VanDerWaalsContact C-N 3.33Å; C455-G457 PolarHBondContact SG-N 3.07Å; C455-R458 HydrophobicContact CB-CB 4.35Å
456	I	95.7	Very high	94.7	Very high	17 Å²	17	34.3 Å²	34.3	9%	0.087	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-34.2	178.9	-170.5	68.6	0	0	0	111.9	L126 R138 L141 A142 L145 L146 L314 S454 R458	L126-I456 HydrophobicContact CD2-CB 3.82Å; L126-I456 HydrophobicContact CD2-CD1 4.43Å; L126-I456 HydrophobicContact CD2-CG1 3.92Å; L126-I456 HydrophobicContact CD2-CG2 3.78Å; R138-I456 VanDerWaalsContact NH1-CA 3.35Å; R138-I456 VanDerWaalsContact NH1-CB 3.29Å; L141-I456 HydrophobicContact CB-CD1 4.05Å; L141-I456 HydrophobicContact CB-CG1 4.32Å; A142-I456 HydrophobicContact CB-CD1 4.19Å; L145-I456 HydrophobicContact CB-CG1 4.2Å; L145-I456 WeakPolarHBondContact CB-O 3.46Å; L145-I456 HydrophobicContact CD1-CG1 3.69Å; L146-I456 HydrophobicContact CD1-CD1 4.05Å; L146-I456 WeakPolarHBondContact CD2-O 3.42Å; L146-I456 HydrophobicContact CG-CD1 4.19Å; L314-I456 HydrophobicContact CD2-CG2 3.9Å; S454-I456 PolarHBondContact O-N 3.06Å; I456-R458 VanDerWaalsContact C-N 3.32Å; I456-R458 PolarHBondContact O-N 3.42Å
457	G	95.1	Very high	94.6	Very high	20 Å²	20	33.8 Å²	33.8	21%	0.206	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	9.5	-176.3	0	0	0	0	0	114	C455 R459 L460 A461	C455-G457 VanDerWaalsContact C-N 3.33Å; C455-G457 PolarHBondContact SG-N 3.07Å; G457-R459 PolarHBondContact O-N 2.98Å; G457-L460 PolarHBondContact O-N 3.43Å; G457-A461 WeakPolarHBondContact O-CB 3.28Å; G457-A461 PolarHBondContact O-N 3.38Å
458	R	95.7	Very high	94.8	Very high	95 Å²	95	31.9 Å²	31.9	36%	0.358	17%	0.165	S	C	.	.	H	α-helix	trans	-51.6	-51.1	-171.9	173.9	179.2	172.3	-177.3	-0.3	112.7	L146 F448 C455 I456 A461 E462	L146-R458 HydrophobicContact CD2-CB 4.39Å; F448-R458 HydrophobicContact CB-CB 4.34Å; F448-R458 HydrophobicContact CB-CG 4.12Å; F448-R458 HydrophobicContact CD1-CB 3.9Å; F448-R458 HydrophobicContact CD1-CG 3.88Å; F448-R458 HydrophobicContact CD2-CG 3.86Å; F448-R458 HydrophobicContact CE1-CB 4.39Å; F448-R458 HydrophobicContact CE1-CG 4.24Å; F448-R458 HydrophobicContact CE2-CG 4.22Å; F448-R458 HydrophobicContact CG-CB 4.08Å; F448-R458 HydrophobicContact CG-CG 3.67Å; F448-R458 HydrophobicContact CZ-CG 4.4Å; C455-R458 HydrophobicContact CB-CB 4.35Å; I456-R458 VanDerWaalsContact C-N 3.32Å; I456-R458 PolarHBondContact O-N 3.42Å; R458-A461 PolarHBondContact O-N 3.28Å; R458-E462 HydrophobicContact CG-CG 4.41Å; R458-E462 IonicContact CZ-OE1 2.87Å; R458-E462 IonicContact NE-OE1 3.18Å; R458-E462 PolarHBondContact NE-OE1 3.01Å; R458-E462 IonicContact NE-OE2 2.68Å; R458-E462 IonicContact NH2-OE1 2.96Å; R458-E462 PolarHBondContact NH2-OE1 3.28Å; R458-E462 VanDerWaalsContact NH2-OE1 3.15Å; R458-E462 WeakPolarHBondContact O-CB 3.09Å; R458-E462 VanDerWaalsContact O-CG 3.29Å; R458-E462 WeakPolarHBondContact O-CG 3.34Å; R458-E462 PolarHBondContact O-N 2.95Å
459	R	93.5	Very high	94.8	Very high	90 Å²	90	30.4 Å²	30.4	34%	0.34	16%	0.158	S	C	.	.	H	α-helix	trans	-69.3	-37.9	-176	-61.9	-53.6	-169.4	178.5	6.5	112.2	L146 A151 G457 E462 L463	L146-R459 WeakPolarHBondContact O-CG 3.34Å; A151-R459 HydrophobicContact CB-CB 3.52Å; A151-R459 HydrophobicContact CB-CG 4.49Å; G457-R459 PolarHBondContact O-N 2.98Å; R459-E462 WeakPolarHBondContact CD-OE2 3.36Å; R459-E462 IonicContact CZ-OE2 2.63Å; R459-E462 IonicContact NH1-OE2 2.73Å; R459-E462 PolarHBondContact NH1-OE2 3.37Å; R459-L463 WeakPolarHBondContact O-CB 3.48Å; R459-L463 PolarHBondContact O-N 3.4Å
460	L	92.6	Very high	94.8	Very high	6 Å²	6	30 Å²	30	3%	0.031	15%	0.153	C	C	.	.	H	α-helix	trans	-64.5	-46.9	175.9	-176.1	63.1	0	0	0	111.2	L145 Y154 L158 I198 V201 G457 L463 E464	L145-L460 HydrophobicContact CD2-CD2 4.49Å; Y154-L460 HydrophobicContact CD2-CD1 4.12Å; Y154-L460 HydrophobicContact CG-CD1 4.26Å; L158-L460 HydrophobicContact CD1-CD1 3.91Å; I198-L460 HydrophobicContact CD1-CD2 3.84Å; V201-L460 HydrophobicContact CB-CD2 4.31Å; V201-L460 HydrophobicContact CG1-CD1 4.32Å; V201-L460 HydrophobicContact CG1-CD2 3.81Å; V201-L460 HydrophobicContact CG2-CD1 4.03Å; V201-L460 HydrophobicContact CG2-CD2 4.44Å; G457-L460 PolarHBondContact O-N 3.43Å; L460-L463 WeakPolarHBondContact O-CB 2.96Å; L460-L463 PolarHBondContact O-N 2.78Å; L460-E464 WeakPolarHBondContact O-CB 3.36Å; L460-E464 PolarHBondContact O-N 3.12Å
461	A	95.4	Very high	94.8	Very high	12 Å²	12	26.8 Å²	26.8	10%	0.099	14%	0.14	C	C	.	.	H	α-helix	trans	-63.7	-43.1	177.1	0	0	0	0	0	112.3	V322 F448 G457 R458 L463 E464 L465	V322-A461 HydrophobicContact CG2-CB 3.93Å; F448-A461 HydrophobicContact CE1-CB 4.29Å; G457-A461 WeakPolarHBondContact O-CB 3.28Å; G457-A461 PolarHBondContact O-N 3.38Å; R458-A461 PolarHBondContact O-N 3.28Å; A461-L463 VanDerWaalsContact C-N 3.32Å; A461-L463 PolarHBondContact O-N 3.36Å; A461-E464 PolarHBondContact O-N 2.77Å; A461-L465 WeakPolarHBondContact O-CB 3.46Å; A461-L465 WeakPolarHBondContact O-CD1 3.1Å; A461-L465 WeakPolarHBondContact O-CG 3.47Å; A461-L465 PolarHBondContact O-N 3.13Å
462	E	95.2	Very high	94.9	Very high	32 Å²	32	25.4 Å²	25.4	15%	0.15	13%	0.125	C	C	.	.	H	α-helix	trans	-58.2	-44.9	174.1	-77.1	172	170.6	0	0	110.9	F448 R458 R459 Q466	F448-E462 HydrophobicContact CE2-CG 4.27Å; F448-E462 HydrophobicContact CZ-CG 4.26Å; R458-E462 HydrophobicContact CG-CG 4.41Å; R458-E462 IonicContact CZ-OE1 2.87Å; R458-E462 IonicContact NE-OE1 3.18Å; R458-E462 PolarHBondContact NE-OE1 3.01Å; R458-E462 IonicContact NE-OE2 2.68Å; R458-E462 IonicContact NH2-OE1 2.96Å; R458-E462 PolarHBondContact NH2-OE1 3.28Å; R458-E462 VanDerWaalsContact NH2-OE1 3.15Å; R458-E462 WeakPolarHBondContact O-CB 3.09Å; R458-E462 VanDerWaalsContact O-CG 3.29Å; R458-E462 WeakPolarHBondContact O-CG 3.34Å; R458-E462 PolarHBondContact O-N 2.95Å; R459-E462 WeakPolarHBondContact CD-OE2 3.36Å; R459-E462 IonicContact CZ-OE2 2.63Å; R459-E462 IonicContact NH1-OE2 2.73Å; R459-E462 PolarHBondContact NH1-OE2 3.37Å; E462-Q466 WeakPolarHBondContact O-CB 3.23Å; E462-Q466 VanDerWaalsContact O-CD 3.28Å; E462-Q466 WeakPolarHBondContact O-CG 3.09Å; E462-Q466 PolarHBondContact O-N 2.98Å
463	L	93	Very high	95.1	Very high	12 Å²	12	20.1 Å²	20.1	6%	0.063	10%	0.102	C	C	.	.	H	α-helix	trans	-64.2	-49.8	178	176.8	62.5	0	0	0	111.8	A151 A155 L158 A361 R459 L460 A461 L465 Q466 M467	A151-L463 VanDerWaalsContact O-CD2 3.23Å; A151-L463 WeakPolarHBondContact O-CD2 3.18Å; A155-L463 HydrophobicContact CB-CD2 4.34Å; L158-L463 HydrophobicContact CD1-CD2 3.92Å; L158-L463 HydrophobicContact CD1-CG 4.05Å; A361-L463 HydrophobicContact CB-CD1 3.56Å; R459-L463 WeakPolarHBondContact O-CB 3.48Å; R459-L463 PolarHBondContact O-N 3.4Å; L460-L463 WeakPolarHBondContact O-CB 2.96Å; L460-L463 PolarHBondContact O-N 2.78Å; A461-L463 VanDerWaalsContact C-N 3.32Å; A461-L463 PolarHBondContact O-N 3.36Å; L463-L465 PolarHBondContact O-N 3.45Å; L463-Q466 PolarHBondContact O-N 2.95Å; L463-M467 HydrophobicContact CD1-CG 4.01Å; L463-M467 HydrophobicContact CD1-SD 3.73Å; L463-M467 HydrophobicContact CG-CG 4.46Å; L463-M467 HydrophobicContact CG-SD 3.87Å; L463-M467 VanDerWaalsContact O-CG 3.31Å; L463-M467 WeakPolarHBondContact O-CG 3.39Å; L463-M467 PolarHBondContact O-N 3.09Å
464	E	94.3	Very high	95.1	Very high	4 Å²	4	21.6 Å²	21.6	2%	0.019	11%	0.113	C	C	.	.	H	α-helix	trans	-61.1	-43.9	-178.7	-172.1	172.9	-168.6	0	0	111.8	L158 F193 V322 L460 A461 A468	L158-E464 HydrophobicContact CD1-CB 4.23Å; L158-E464 HydrophobicContact CD2-CG 4.35Å; F193-E464 HydrophobicContact CE1-CG 3.79Å; F193-E464 HydrophobicContact CZ-CG 3.68Å; V322-E464 HydrophobicContact CG1-CG 4.02Å; L460-E464 WeakPolarHBondContact O-CB 3.36Å; L460-E464 PolarHBondContact O-N 3.12Å; A461-E464 PolarHBondContact O-N 2.77Å; E464-A468 VanDerWaalsContact O-CB 3.25Å; E464-A468 WeakPolarHBondContact O-CB 3.46Å; E464-A468 PolarHBondContact O-N 3.36Å
465	L	96.6	Very high	95.1	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.005	12%	0.116	C	C	.	.	H	α-helix	trans	-62.8	-44.9	174.6	-72.1	167.7	0	0	0	112	V322 T325 L326 I374 A461 L463 L469	V322-L465 HydrophobicContact CG1-CD2 3.93Å; V322-L465 HydrophobicContact CG1-CG 4.21Å; T325-L465 HydrophobicContact CG2-CD1 3.66Å; T325-L465 HydrophobicContact CG2-CD2 3.99Å; L326-L465 HydrophobicContact CB-CD2 4.01Å; I374-L465 HydrophobicContact CD1-CB 4.06Å; I374-L465 HydrophobicContact CG2-CD1 4.12Å; A461-L465 WeakPolarHBondContact O-CB 3.46Å; A461-L465 WeakPolarHBondContact O-CD1 3.1Å; A461-L465 WeakPolarHBondContact O-CG 3.47Å; A461-L465 PolarHBondContact O-N 3.13Å; L463-L465 PolarHBondContact O-N 3.45Å; L465-L469 VanDerWaalsContact O-CB 3.29Å; L465-L469 WeakPolarHBondContact O-CB 3.43Å; L465-L469 WeakPolarHBondContact O-CD1 3.49Å; L465-L469 VanDerWaalsContact O-CG 3.22Å; L465-L469 WeakPolarHBondContact O-CG 3.48Å; L465-L469 PolarHBondContact O-N 2.88Å
466	Q	95.4	Very high	95.1	Very high	14 Å²	14	20.8 Å²	20.8	7%	0.065	10%	0.101	C	C	.	.	H	α-helix	trans	-63.5	-45.1	179.7	-75.1	165	20.8	0	0	111.6	L364 L370 I374 E462 L463 A470	L364-Q466 HydrophobicContact CB-CB 4.39Å; L370-Q466 HydrophobicContact CD2-CB 4.01Å; L370-Q466 HydrophobicContact CD2-CG 3.95Å; L370-Q466 HydrophobicContact CG-CG 4.28Å; I374-Q466 HydrophobicContact CD1-CG 3.7Å; E462-Q466 WeakPolarHBondContact O-CB 3.23Å; E462-Q466 VanDerWaalsContact O-CD 3.28Å; E462-Q466 WeakPolarHBondContact O-CG 3.09Å; E462-Q466 PolarHBondContact O-N 2.98Å; L463-Q466 PolarHBondContact O-N 2.95Å; Q466-A470 WeakPolarHBondContact O-CB 3.4Å; Q466-A470 PolarHBondContact O-N 3.4Å
467	M	94.1	Very high	95.2	Very high	5 Å²	5	23.3 Å²	23.3	3%	0.025	11%	0.113	C	C	.	.	H	α-helix	trans	-65.3	-45.9	178.4	-68.3	179.3	70.6	0	0	111.6	A155 L158 D159 V162 L364 L463 A470 Q471	A155-M467 HydrophobicContact CB-SD 4.37Å; A155-M467 WeakPolarHBondContact O-CE 3.23Å; L158-M467 HydrophobicContact CB-CE 4.1Å; L158-M467 HydrophobicContact CB-SD 3.91Å; L158-M467 HydrophobicContact CD1-SD 4.35Å; D159-M467 HydrophobicContact CB-CE 3.83Å; V162-M467 HydrophobicContact CG2-CB 4Å; L364-M467 HydrophobicContact CD1-CB 4.27Å; L364-M467 HydrophobicContact CD1-CG 3.63Å; L463-M467 HydrophobicContact CD1-CG 4.01Å; L463-M467 HydrophobicContact CD1-SD 3.73Å; L463-M467 HydrophobicContact CG-CG 4.46Å; L463-M467 HydrophobicContact CG-SD 3.87Å; L463-M467 VanDerWaalsContact O-CG 3.31Å; L463-M467 WeakPolarHBondContact O-CG 3.39Å; L463-M467 PolarHBondContact O-N 3.09Å; M467-A470 PolarHBondContact O-N 3.17Å; M467-Q471 WeakPolarHBondContact O-CB 3.44Å; M467-Q471 WeakPolarHBondContact O-CG 3.39Å; M467-Q471 PolarHBondContact O-N 3.42Å
468	A	96.2	Very high	95.4	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-61	-49	178.4	0	0	0	0	0	111.8	L165 F193 L326 E464 Q471 I472	L165-A468 HydrophobicContact CD2-CB 4.43Å; F193-A468 HydrophobicContact CE1-CB 3.99Å; F193-A468 HydrophobicContact CZ-CB 3.8Å; L326-A468 HydrophobicContact CD1-CB 4.28Å; L326-A468 HydrophobicContact CD2-CB 4.07Å; E464-A468 VanDerWaalsContact O-CB 3.25Å; E464-A468 WeakPolarHBondContact O-CB 3.46Å; E464-A468 PolarHBondContact O-N 3.36Å; A468-Q471 PolarHBondContact O-N 3.19Å; A468-I472 WeakPolarHBondContact O-CB 3.39Å; A468-I472 WeakPolarHBondContact O-CD1 3.41Å; A468-I472 WeakPolarHBondContact O-CG1 3.23Å; A468-I472 PolarHBondContact O-N 3.11Å
469	L	97	Very high	95.5	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.005	10%	0.099	C	C	.	.	H	α-helix	trans	-63.4	-43.2	178.9	-72.4	167.2	0	0	0	111.8	L326 T329 L330 L370 I374 L465 Q471 I472 L473	L326-L469 HydrophobicContact CD1-CD2 3.61Å; L326-L469 HydrophobicContact CD1-CG 3.83Å; T329-L469 HydrophobicContact CG2-CD1 3.81Å; T329-L469 HydrophobicContact CG2-CD2 3.58Å; T329-L469 HydrophobicContact CG2-CG 4.36Å; L330-L469 HydrophobicContact CD2-CD2 3.82Å; L330-L469 HydrophobicContact CG-CD2 4.33Å; L370-L469 HydrophobicContact CD1-CB 3.88Å; L370-L469 HydrophobicContact CD1-CD1 3.83Å; I374-L469 HydrophobicContact CD1-CD1 3.98Å; I374-L469 HydrophobicContact CG1-CD1 3.75Å; L465-L469 VanDerWaalsContact O-CB 3.29Å; L465-L469 WeakPolarHBondContact O-CB 3.43Å; L465-L469 WeakPolarHBondContact O-CD1 3.49Å; L465-L469 VanDerWaalsContact O-CG 3.22Å; L465-L469 WeakPolarHBondContact O-CG 3.48Å; L465-L469 PolarHBondContact O-N 2.88Å; L469-Q471 PolarHBondContact O-N 3.34Å; L469-I472 PolarHBondContact O-N 2.96Å; L469-L473 VanDerWaalsContact O-CB 3.26Å; L469-L473 WeakPolarHBondContact O-CB 3.47Å; L469-L473 VanDerWaalsContact O-CG 3.25Å; L469-L473 WeakPolarHBondContact O-CG 3.38Å; L469-L473 PolarHBondContact O-N 2.88Å
470	A	94.3	Very high	95.6	Very high	4 Å²	4	18.7 Å²	18.7	3%	0.033	10%	0.1	C	C	.	.	H	α-helix	trans	-59.2	-48.2	178.3	0	0	0	0	0	111.7	I347 L364 Q466 M467 T474	I347-A470 HydrophobicContact CG2-CB 4.13Å; L364-A470 HydrophobicContact CD1-CB 4.31Å; L364-A470 HydrophobicContact CD2-CB 3.61Å; Q466-A470 WeakPolarHBondContact O-CB 3.4Å; Q466-A470 PolarHBondContact O-N 3.4Å; M467-A470 PolarHBondContact O-N 3.17Å; A470-T474 VanDerWaalsContact O-CB 3.3Å; A470-T474 WeakPolarHBondContact O-CB 3.41Å; A470-T474 PolarHBondContact O-N 2.7Å; A470-T474 PolarHBondContact O-OG1 3.27Å
471	Q	93.8	Very high	95.7	Very high	17 Å²	17	21 Å²	21	8%	0.079	11%	0.111	C	C	.	.	H	α-helix	trans	-69	-42.3	-179.2	-72.5	-73.3	-8.1	0	0	112.3	V162 V166 M467 A468 L469 H475	V162-Q471 HydrophobicContact CG1-CB 3.37Å; V162-Q471 HydrophobicContact CG1-CG 3.44Å; V162-Q471 VanDerWaalsContact CG1-CG 3.44Å; V166-Q471 HydrophobicContact CG2-CB 4.01Å; M467-Q471 WeakPolarHBondContact O-CB 3.44Å; M467-Q471 WeakPolarHBondContact O-CG 3.39Å; M467-Q471 PolarHBondContact O-N 3.42Å; A468-Q471 PolarHBondContact O-N 3.19Å; L469-Q471 PolarHBondContact O-N 3.34Å; Q471-H475 PolarHBondContact O-CD2 2.76Å; Q471-H475 PolarHBondContact O-N 3.07Å
472	I	96.8	Very high	95.5	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-62	-49.8	176.6	-69.9	168.8	0	0	0	110.5	L165 L169 F190 L326 L330 A468 L469 T474 H475 F476 V478 F505	L165-I472 HydrophobicContact CD2-CD1 3.99Å; L169-I472 HydrophobicContact CD1-CD1 4.08Å; L169-I472 HydrophobicContact CD1-CG1 3.98Å; F190-I472 HydrophobicContact CE1-CD1 4.43Å; L326-I472 HydrophobicContact CD1-CD1 4.44Å; L326-I472 HydrophobicContact CD2-CD1 4.46Å; L330-I472 HydrophobicContact CD1-CD1 4.03Å; L330-I472 HydrophobicContact CD1-CG2 4.28Å; L330-I472 HydrophobicContact CD2-CG2 4.1Å; A468-I472 WeakPolarHBondContact O-CB 3.39Å; A468-I472 WeakPolarHBondContact O-CD1 3.41Å; A468-I472 WeakPolarHBondContact O-CG1 3.23Å; A468-I472 PolarHBondContact O-N 3.11Å; L469-I472 PolarHBondContact O-N 2.96Å; I472-T474 VanDerWaalsContact C-N 3.33Å; I472-T474 PolarHBondContact O-N 3.27Å; I472-H475 PolarHBondContact O-N 3.41Å; I472-F476 HydrophobicContact CG2-CD2 4.22Å; I472-F476 WeakPolarHBondContact O-CB 3.43Å; I472-F476 WeakPolarHBondContact O-CD2 3.45Å; I472-F476 PolarHBondContact O-N 3.44Å; I472-V478 HydrophobicContact CG2-CG2 4.23Å; I472-F505 HydrophobicContact CG2-CD1 4.43Å; I472-F505 HydrophobicContact CG2-CE1 4.04Å
473	L	96.4	Very high	95.1	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	17%	0.165	C	C	.	.	H	α-helix	trans	-72.3	-26	-175.5	-66.7	175.1	0	0	0	113.1	L333 Q340 L343 H344 I347 L469 H475 R508	L333-L473 HydrophobicContact CD1-CD1 4.04Å; L333-L473 HydrophobicContact CD1-CD2 4.35Å; Q340-L473 HydrophobicContact CG-CD2 3.81Å; L343-L473 HydrophobicContact CB-CD1 4.11Å; L343-L473 HydrophobicContact CD1-CD1 3.84Å; H344-L473 PolarHBondContact CD2-O 2.94Å; H344-L473 VanDerWaalsContact CD2-O 3.23Å; I347-L473 HydrophobicContact CD1-CB 4.03Å; I347-L473 HydrophobicContact CD1-CD1 3.9Å; L469-L473 VanDerWaalsContact O-CB 3.26Å; L469-L473 WeakPolarHBondContact O-CB 3.47Å; L469-L473 VanDerWaalsContact O-CG 3.25Å; L469-L473 WeakPolarHBondContact O-CG 3.38Å; L469-L473 PolarHBondContact O-N 2.88Å; L473-H475 VanDerWaalsContact C-N 3.32Å; L473-R508 WeakPolarHBondContact O-CD 3.33Å
474	T	93.5	Very high	94.9	Very high	46 Å²	46	28.8 Å²	28.8	28%	0.282	18%	0.183	S	C	.	.	H	α-helix	trans	-67.4	-34.8	171.9	-60.5	0	0	0	0	111.6	I347 A470 I472	I347-T474 WeakPolarHBondContact CG2-OG1 3.27Å; A470-T474 VanDerWaalsContact O-CB 3.3Å; A470-T474 WeakPolarHBondContact O-CB 3.41Å; A470-T474 PolarHBondContact O-N 2.7Å; A470-T474 PolarHBondContact O-OG1 3.27Å; I472-T474 VanDerWaalsContact C-N 3.33Å; I472-T474 PolarHBondContact O-N 3.27Å
475	H	95.3	Very high	94.7	Very high	59 Å²	59	34.1 Å²	34.1	27%	0.273	21%	0.211	S	C	.	.	H	α-helix	trans	-98.1	-22.3	-175.2	-75.8	-58.3	0	0	0	114.4	V166 R170 Q471 I472 L473 D507 R508	V166-H475 HydrophobicContact CG1-CB 4.21Å; R170-H475 PolarHBondContact NH2-ND1 2.75Å; R170-H475 VanDerWaalsContact NH2-ND1 3.19Å; Q471-H475 PolarHBondContact O-CD2 2.76Å; Q471-H475 PolarHBondContact O-N 3.07Å; I472-H475 PolarHBondContact O-N 3.41Å; L473-H475 VanDerWaalsContact C-N 3.32Å; H475-D507 WeakPolarHBondContact O-CA 3.48Å; H475-R508 PolarHBondContact O-N 3.33Å
476	F	97.8	Very high	94.5	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	143.8	-172.9	-53.3	-69.7	0	0	0	113.4	V166 L169 R170 I472 V478 F505 V506 D507 R508	V166-F476 HydrophobicContact CG1-CE2 3.92Å; V166-F476 HydrophobicContact CG1-CZ 4.17Å; L169-F476 HydrophobicContact CB-CE2 4.26Å; L169-F476 HydrophobicContact CB-CZ 4.38Å; L169-F476 HydrophobicContact CD1-CE2 4.33Å; R170-F476 HydrophobicContact CG-CE1 3.87Å; R170-F476 HydrophobicContact CG-CZ 3.53Å; I472-F476 HydrophobicContact CG2-CD2 4.22Å; I472-F476 WeakPolarHBondContact O-CB 3.43Å; I472-F476 WeakPolarHBondContact O-CD2 3.45Å; I472-F476 PolarHBondContact O-N 3.44Å; F476-V478 HydrophobicContact CB-CG2 4.48Å; F476-F505 HydrophobicContact CB-CB 4.34Å; F476-F505 HydrophobicContact CB-CD1 4.13Å; F476-F505 HydrophobicContact CD1-CB 3.9Å; F476-F505 AromaticContact CD2-CD1 3.95Å; F476-F505 HydrophobicContact CD2-CD1 3.95Å; F476-F505 HydrophobicContact CE1-CB 4.3Å; F476-F505 HydrophobicContact CG-CB 4.04Å; F476-F505 HydrophobicContact CG-CD1 4.02Å; F476-V506 CarbonylContact C-O 3.4Å; F476-V506 WeakPolarHBondContact CA-O 3.39Å; F476-D507 VanDerWaalsContact CE1-OD1 3.29Å; F476-D507 WeakPolarHBondContact CE1-OD1 2.98Å; F476-R508 PolarHBondContact O-NE 2.99Å; F476-R508 VanDerWaalsContact O-NE 3.08Å
477	E	98.1	Very high	94.5	Very high	71 Å²	71	37.7 Å²	37.7	33%	0.332	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	126.1	152.2	179.4	157.2	-116.1	0	0	108.7	L479 V506 R508	E477-L479 HydrophobicContact CG-CD2 3.99Å; E477-L479 HydrophobicContact CG-CG 4.28Å; E477-V506 HydrophobicContact CB-CB 4.31Å; E477-V506 PolarHBondContact N-O 3.07Å; E477-V506 PolarHBondContact O-N 3.39Å; E477-R508 HydrophobicContact CB-CG 4.2Å; E477-R508 IonicContact OE1-CZ 3.9Å; E477-R508 IonicContact OE1-NH1 3.74Å; E477-R508 IonicContact OE1-NH2 3.33Å; E477-R508 PolarHBondContact OE1-NH2 3.39Å
478	V	98.3	Very high	94.5	Very high	0 Å²	0	45 Å²	45	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	122.6	-177.7	-173.2	0	0	0	0	109.1	L330 S334 Q340 I472 F476 L503 Q504 F505	L330-V478 HydrophobicContact CD2-CG2 4.32Å; S334-V478 WeakPolarHBondContact CA-O 3.3Å; Q340-V478 PolarHBondContact NE2-O 2.87Å; I472-V478 HydrophobicContact CG2-CG2 4.23Å; F476-V478 HydrophobicContact CB-CG2 4.48Å; V478-L503 HydrophobicContact CG1-CB 4.01Å; V478-L503 HydrophobicContact CG1-CD1 3.94Å; V478-L503 HydrophobicContact CG1-CD2 4.43Å; V478-L503 HydrophobicContact CG1-CG 4.35Å; V478-Q504 CarbonylContact C-O 3.6Å; V478-Q504 VanDerWaalsContact CA-O 3.28Å; V478-Q504 WeakPolarHBondContact CA-O 3.42Å; V478-F505 HydrophobicContact CG2-CD1 4Å; V478-F505 HydrophobicContact CG2-CE1 3.99Å
479	L	97.5	Very high	94.4	Very high	54 Å²	54	45.7 Å²	45.7	28%	0.283	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	152.5	179.7	-53.7	173.1	0	0	0	110.4	E477 Q504 V506	E477-L479 HydrophobicContact CG-CD2 3.99Å; E477-L479 HydrophobicContact CG-CG 4.28Å; L479-Q504 HydrophobicContact CB-CB 4.11Å; L479-Q504 PolarHBondContact N-O 3.45Å; L479-Q504 PolarHBondContact O-N 3.32Å; L479-V506 HydrophobicContact CD1-CG2 3.9Å; L479-V506 HydrophobicContact CG-CG2 4.49Å
480	P	96	Very high	94.2	Very high	54 Å²	54	48 Å²	48	35%	0.351	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	157.5	176.5	30.4	-34.4	0	0	0	110	S334 Q504	S334-P480 VanDerWaalsContact O-CD 3.31Å; S334-P480 WeakPolarHBondContact O-CD 3.33Å; P480-Q504 PolarHBondContact O-NE2 3.19Å
481	E	94.1	Very high	94	Very high	54 Å²	54	48.2 Å²	48.2	25%	0.252	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-62.4	127.5	164.7	175.3	174.6	-134.4	0	0	109.9	L182 G483 A484 N502	L182-E481 HydrophobicContact CD1-CB 4.01Å; L182-E481 HydrophobicContact CD1-CG 4.2Å; E481-G483 PolarHBondContact O-N 3.29Å; E481-A484 HydrophobicContact CB-CB 3.89Å; E481-A484 HydrophobicContact CG-CB 4.2Å; E481-A484 WeakPolarHBondContact O-CB 3.45Å; E481-A484 PolarHBondContact O-N 3.32Å; E481-A484 VanDerWaalsContact O-N 3.13Å; E481-N502 HydrophobicContact CB-CB 4.08Å; E481-N502 WeakPolarHBondContact OE2-CB 3.31Å; E481-N502 PolarHBondContact OE2-ND2 2.95Å
482	P	90.8	Very high	93.6	Very high	85 Å²	85	49.5 Å²	49.5	55%	0.552	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	132.6	-178.3	-26.3	38.6	0	0	0	111.9	L179 A484	L179-P482 HydrophobicContact CD1-CG 3.64Å; P482-A484 PolarHBondContact O-N 3.32Å
483	G	88.4	Confident	93	Very high	82 Å²	82	51.5 Å²	51.5	85%	0.845	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.9	3.8	-178.5	0	0	0	0	0	114.9	E481 L485	E481-G483 PolarHBondContact O-N 3.29Å; G483-L485 PolarHBondContact O-N 3.47Å
484	A	88.3	Confident	92.7	Very high	53 Å²	53	51.8 Å²	51.8	44%	0.438	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-66.1	134.3	177.4	0	0	0	0	0	111.9	E481 P482	E481-A484 HydrophobicContact CB-CB 3.89Å; E481-A484 HydrophobicContact CG-CB 4.2Å; E481-A484 WeakPolarHBondContact O-CB 3.45Å; E481-A484 PolarHBondContact O-N 3.32Å; E481-A484 VanDerWaalsContact O-N 3.13Å; P482-A484 PolarHBondContact O-N 3.32Å
485	L	90.6	Very high	92.6	Very high	115 Å²	115	49.7 Å²	49.7	60%	0.602	29%	0.285	S	S	*	.	P	Polyproline II helix	trans	-73.2	148.6	176	-66.9	173.5	0	0	0	111.2	G483 V487	G483-L485 PolarHBondContact O-N 3.47Å; L485-V487 PolarHBondContact O-N 3.46Å
486	P	92.1	Very high	92.5	Very high	76 Å²	76	47.2 Å²	47.2	49%	0.494	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-54.7	126.6	177.6	-27.5	35	0	0	0	113	Y331 R499	Y331-P486 WeakPolarHBondContact OH-CA 3.4Å; P486-R499 PolarHBondContact O-NH2 2.95Å
487	V	94.9	Very high	92.4	Very high	15 Å²	15	47.9 Å²	47.9	9%	0.091	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-79.9	127.2	-178.3	-176.8	0	0	0	0	109.3	W328 Y331 L485 P497 R499 I501	W328-V487 HydrophobicContact CH2-CB 4.34Å; W328-V487 HydrophobicContact CH2-CG1 3.91Å; W328-V487 HydrophobicContact CZ3-CB 4.39Å; W328-V487 HydrophobicContact CZ3-CG1 4.37Å; Y331-V487 HydrophobicContact CE2-CB 4.09Å; Y331-V487 HydrophobicContact CE2-CG2 3.78Å; Y331-V487 PolarHBondContact OH-N 2.79Å; L485-V487 PolarHBondContact O-N 3.46Å; V487-P497 HydrophobicContact CG1-CB 3.79Å; V487-R499 HydrophobicContact CB-CG 4.27Å; V487-R499 HydrophobicContact CG1-CG 3.76Å; V487-R499 HydrophobicContact CG2-CG 3.9Å; V487-I501 HydrophobicContact CB-CG1 4.46Å; V487-I501 HydrophobicContact CG1-CG1 4.12Å; V487-I501 HydrophobicContact CG2-CG1 4.2Å
488	R	93.9	Very high	92.1	Very high	159 Å²	159	48.9 Å²	48.9	60%	0.6	28%	0.283	S	S	*	.	P	Polyproline II helix	trans	-94.4	149.4	177.2	-73.9	-178.4	147.4	-176.9	-7.6	110.3	E498	R488-E498 WeakPolarHBondContact CB-OE2 3.32Å; R488-E498 VanDerWaalsContact O-CB 3.22Å; R488-E498 WeakPolarHBondContact O-CB 3.49Å; R488-E498 PolarHBondContact O-N 3.24Å
489	P	94.9	Very high	91.9	Very high	13 Å²	13	53.9 Å²	53.9	8%	0.084	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	152.6	169.4	30.7	-33.3	0	0	0	111.3	R60 H62 W328 L495 V496	R60-P489 PolarHBondContact NH1-O 3Å; H62-P489 PolarHBondContact CE1-O 3.15Å; W328-P489 HydrophobicContact CH2-CB 4.5Å; W328-P489 HydrophobicContact CZ2-CB 4.07Å; P489-L495 HydrophobicContact CB-CD1 3.91Å; P489-L495 HydrophobicContact CB-CD2 3.91Å; P489-L495 HydrophobicContact CB-CG 3.8Å; P489-V496 CarbonylContact C-O 3.55Å; P489-V496 WeakPolarHBondContact CA-O 3.38Å
490	M	92.6	Very high	91.6	Very high	51 Å²	51	54.3 Å²	54.3	25%	0.251	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	151.5	168.3	71.2	176.6	-66.4	0	0	110	L495 V496 E498	M490-L495 WeakPolarHBondContact O-CA 3.21Å; M490-V496 HydrophobicContact CG-CG2 3.48Å; M490-V496 VanDerWaalsContact CG-CG2 3.48Å; M490-V496 PolarHBondContact N-O 2.89Å; M490-V496 PolarHBondContact O-N 3.27Å; M490-V496 HydrophobicContact SD-CG2 4.15Å; M490-E498 HydrophobicContact CB-CB 4.26Å; M490-E498 HydrophobicContact CG-CB 4.39Å; M490-E498 HydrophobicContact SD-CB 4.41Å
491	T	89.6	Confident	91.6	Very high	8 Å²	8	51.9 Å²	51.9	5%	0.049	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	128	176	-59.5	0	0	0	0	110.6	S59 L61 H62 P385	S59-T491 VanDerWaalsContact CA-O 3.31Å; S59-T491 WeakPolarHBondContact CA-O 3.46Å; S59-T491 PolarHBondContact O-N 3.2Å; L61-T491 HydrophobicContact CB-CG2 4.27Å; L61-T491 HydrophobicContact CD1-CG2 4.44Å; H62-T491 PolarHBondContact ND1-OG1 3.43Å; P385-T491 HydrophobicContact CG-CG2 4.48Å
492	R	85	Confident	91.7	Very high	43 Å²	43	51 Å²	51	16%	0.162	29%	0.29	C	S	.	.	S	Bend	trans	-127.6	34.7	168.5	64.4	170.5	-170.5	171.4	-2.5	112.2	Y191 F229 V230 D320 V494 V496	Y191-R492 PolarHBondContact OH-NH2 2.78Å; F229-R492 CarbonylContact C-O 3.46Å; F229-R492 VanDerWaalsContact CB-O 3.26Å; F229-R492 WeakPolarHBondContact CB-O 3.39Å; V230-R492 HydrophobicContact CG2-CB 4.14Å; D320-R492 IonicContact OD1-NH2 3.12Å; D320-R492 IonicContact OD2-CZ 3.97Å; D320-R492 IonicContact OD2-NE 2.74Å; D320-R492 IonicContact OD2-NH2 3.47Å; D320-R492 PolarHBondContact OD2-NH2 3.32Å; R492-V494 HydrophobicContact CG-CG2 4.28Å; R492-V494 PolarHBondContact N-O 2.72Å; R492-V496 HydrophobicContact CG-CG1 4.04Å; R492-V496 HydrophobicContact CG-CG2 3.91Å
493	T	84.5	Confident	92	Very high	42 Å²	42	47 Å²	47	26%	0.258	26%	0.264	S	S	.	.	S	Bend	trans	95	-55	-157	-56.3	0	0	0	0	111.6	F229	F229-T493 HydrophobicContact CD1-CG2 3.79Å; F229-T493 HydrophobicContact CE1-CG2 4.33Å; F229-T493 PolarHBondContact O-OG1 3.37Å
494	V	90.1	Very high	92.5	Very high	8 Å²	8	44.2 Å²	44.2	5%	0.048	23%	0.229	C	C	.	.	S	Bend	trans	-97.9	160.1	166.4	-68.4	0	0	0	0	110.6	D320 V383 R492 V496	D320-V494 HydrophobicContact CB-CG2 4.48Å; V383-V494 HydrophobicContact CG1-CB 4.2Å; V383-V494 HydrophobicContact CG1-CG1 4.06Å; V383-V494 CarbonylContact O-C 3.56Å; V383-V494 VanDerWaalsContact O-CA 3.23Å; V383-V494 WeakPolarHBondContact O-CA 3.17Å; V383-V494 WeakPolarHBondContact O-CB 3.46Å; R492-V494 HydrophobicContact CG-CG2 4.28Å; R492-V494 PolarHBondContact N-O 2.72Å; V494-V496 HydrophobicContact CG2-CG1 3.87Å
495	L	92.7	Very high	92.9	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.01	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	121.2	173.9	-158.4	76.1	0	0	0	109.9	H62 P382 V383 P385 Y413 P489 M490	H62-L495 HydrophobicContact CB-CD1 3.98Å; P382-L495 WeakPolarHBondContact O-CB 3.44Å; V383-L495 PolarHBondContact O-N 3.03Å; P385-L495 HydrophobicContact CB-CD1 4.43Å; P385-L495 HydrophobicContact CG-CD1 4.44Å; Y413-L495 HydrophobicContact CD2-CD2 4.2Å; Y413-L495 HydrophobicContact CE2-CD2 4.07Å; P489-L495 HydrophobicContact CB-CD1 3.91Å; P489-L495 HydrophobicContact CB-CD2 3.91Å; P489-L495 HydrophobicContact CB-CG 3.8Å; M490-L495 WeakPolarHBondContact O-CA 3.21Å
496	V	93.2	Very high	93.2	Very high	6 Å²	6	38.1 Å²	38.1	4%	0.036	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	163.6	-178.9	-56.3	0	0	0	0	110.9	P489 M490 R492 V494	P489-V496 CarbonylContact C-O 3.55Å; P489-V496 WeakPolarHBondContact CA-O 3.38Å; M490-V496 HydrophobicContact CG-CG2 3.48Å; M490-V496 VanDerWaalsContact CG-CG2 3.48Å; M490-V496 PolarHBondContact N-O 2.89Å; M490-V496 PolarHBondContact O-N 3.27Å; M490-V496 HydrophobicContact SD-CG2 4.15Å; R492-V496 HydrophobicContact CG-CG1 4.04Å; R492-V496 HydrophobicContact CG-CG2 3.91Å; V494-V496 HydrophobicContact CG2-CG1 3.87Å
497	P	94.4	Very high	93.4	Very high	15 Å²	15	38.2 Å²	38.2	10%	0.097	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61	136.2	168.6	-22.5	35.4	0	0	0	111.9	W328 V487 R499 I501	W328-P497 HydrophobicContact CH2-CB 4.46Å; W328-P497 HydrophobicContact CZ2-CB 4.07Å; W328-P497 HydrophobicContact CZ2-CG 3.9Å; V487-P497 HydrophobicContact CG1-CB 3.79Å; P497-R499 VanDerWaalsContact CB-O 3.22Å; P497-R499 WeakPolarHBondContact CB-O 3.47Å; P497-R499 PolarHBondContact O-N 3.31Å; P497-I501 HydrophobicContact CB-CD1 3.91Å; P497-I501 HydrophobicContact CB-CG1 4.05Å; P497-I501 HydrophobicContact CG-CD1 3.45Å; P497-I501 VanDerWaalsContact CG-CD1 3.45Å; P497-I501 HydrophobicContact CG-CG1 4.08Å
498	E	92.8	Very high	93.2	Very high	92 Å²	92	43.9 Å²	43.9	43%	0.43	21%	0.207	S	C	.	.	S	Bend	trans	-67.6	-26.7	174.8	177.1	174.3	-148.5	0	0	112.8	R60 R488 M490	R60-E498 IonicContact CZ-OE1 3.61Å; R60-E498 IonicContact CZ-OE2 3.73Å; R60-E498 IonicContact NH2-OE1 3.84Å; R60-E498 PolarHBondContact NH2-OE1 2.83Å; R60-E498 IonicContact NH2-OE2 3.15Å; R60-E498 PolarHBondContact NH2-OE2 3.38Å; R488-E498 WeakPolarHBondContact CB-OE2 3.32Å; R488-E498 VanDerWaalsContact O-CB 3.22Å; R488-E498 WeakPolarHBondContact O-CB 3.49Å; R488-E498 PolarHBondContact O-N 3.24Å; M490-E498 HydrophobicContact CB-CB 4.26Å; M490-E498 HydrophobicContact CG-CB 4.39Å; M490-E498 HydrophobicContact SD-CB 4.41Å
499	R	92.4	Very high	93.2	Very high	104 Å²	104	38.2 Å²	38.2	39%	0.392	19%	0.188	S	C	.	.	S	Bend	trans	-135.5	158	178	52.7	174.4	143.7	-144.8	-8.1	109.2	P486 V487 P497 I501	P486-R499 PolarHBondContact O-NH2 2.95Å; V487-R499 HydrophobicContact CB-CG 4.27Å; V487-R499 HydrophobicContact CG1-CG 3.76Å; V487-R499 HydrophobicContact CG2-CG 3.9Å; P497-R499 VanDerWaalsContact CB-O 3.22Å; P497-R499 WeakPolarHBondContact CB-O 3.47Å; P497-R499 PolarHBondContact O-N 3.31Å; R499-I501 PolarHBondContact O-N 2.83Å
500	S	93.2	Very high	93.1	Very high	64 Å²	64	39.5 Å²	39.5	45%	0.448	19%	0.193	S	C	.	.			trans	-53.4	136.1	173.7	-66.8	0	0	0	0	110.9	D185	D185-S500 WeakPolarHBondContact OD1-CB 3.38Å; D185-S500 PolarHBondContact OD1-OG 3.09Å
501	I	95.7	Very high	93.1	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.01	19%	0.19	C	C	.	.			trans	-91.2	117.6	172	-67.2	171	0	0	0	106.5	D185 V186 W328 Y331 V487 P497 R499 L503	D185-I501 PolarHBondContact N-O 3.02Å; V186-I501 HydrophobicContact CG2-CB 3.9Å; V186-I501 HydrophobicContact CG2-CG2 3.67Å; V186-I501 WeakPolarHBondContact CG2-O 3.44Å; V186-I501 PolarHBondContact N-O 3.48Å; W328-I501 HydrophobicContact CE3-CD1 4.38Å; Y331-I501 HydrophobicContact CD2-CD1 4.46Å; Y331-I501 HydrophobicContact CD2-CG1 4.38Å; Y331-I501 HydrophobicContact CD2-CG2 3.95Å; Y331-I501 HydrophobicContact CG-CD1 4.4Å; V487-I501 HydrophobicContact CB-CG1 4.46Å; V487-I501 HydrophobicContact CG1-CG1 4.12Å; V487-I501 HydrophobicContact CG2-CG1 4.2Å; P497-I501 HydrophobicContact CB-CD1 3.91Å; P497-I501 HydrophobicContact CB-CG1 4.05Å; P497-I501 HydrophobicContact CG-CD1 3.45Å; P497-I501 VanDerWaalsContact CG-CD1 3.45Å; P497-I501 HydrophobicContact CG-CG1 4.08Å; R499-I501 PolarHBondContact O-N 2.83Å; I501-L503 HydrophobicContact CG2-CD1 4.03Å; I501-L503 HydrophobicContact CG2-CD2 4.12Å; I501-L503 HydrophobicContact CG2-CG 3.83Å
502	N	95.9	Very high	93.3	Very high	35 Å²	35	40.6 Å²	40.6	19%	0.187	20%	0.198	C	C	.	.			trans	-106.9	132.6	174.5	-56	-29.4	0	0	0	108.3	L182 V183 Q184 D185 E481	L182-N502 HydrophobicContact CD1-CB 4.12Å; V183-N502 WeakPolarHBondContact O-CA 3.01Å; Q184-N502 WeakPolarHBondContact CA-OD1 3.24Å; D185-N502 PolarHBondContact N-OD1 3.13Å; E481-N502 HydrophobicContact CB-CB 4.08Å; E481-N502 WeakPolarHBondContact OE2-CB 3.31Å; E481-N502 PolarHBondContact OE2-ND2 2.95Å
503	L	97.1	Very high	93.8	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	148.5	-177.8	-61.1	173	0	0	0	110	V183 V186 L330 V478 I501 F505	V183-L503 PolarHBondContact N-O 2.87Å; V183-L503 PolarHBondContact O-N 3.38Å; V183-L503 VanDerWaalsContact O-N 3.13Å; V186-L503 HydrophobicContact CG1-CB 4.11Å; V186-L503 HydrophobicContact CG1-CD1 4.26Å; V186-L503 HydrophobicContact CG1-CG 4.24Å; V186-L503 HydrophobicContact CG2-CD1 4.06Å; L330-L503 HydrophobicContact CB-CD1 3.67Å; V478-L503 HydrophobicContact CG1-CB 4.01Å; V478-L503 HydrophobicContact CG1-CD1 3.94Å; V478-L503 HydrophobicContact CG1-CD2 4.43Å; V478-L503 HydrophobicContact CG1-CG 4.35Å; I501-L503 HydrophobicContact CG2-CD1 4.03Å; I501-L503 HydrophobicContact CG2-CD2 4.12Å; I501-L503 HydrophobicContact CG2-CG 3.83Å; L503-F505 HydrophobicContact CB-CD2 4.48Å; L503-F505 HydrophobicContact CB-CE2 3.84Å; L503-F505 HydrophobicContact CB-CZ 4.32Å
504	Q	97.5	Very high	94.5	Very high	25 Å²	25	40.4 Å²	40.4	12%	0.117	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	136.7	171.1	-54.7	180	69.5	0	0	109.7	L179 N181 L182 V478 L479 P480	L179-Q504 HydrophobicContact CD1-CG 4.42Å; N181-Q504 HydrophobicContact CB-CB 4.29Å; N181-Q504 CarbonylContact O-C 3.51Å; N181-Q504 VanDerWaalsContact O-CA 3.26Å; N181-Q504 WeakPolarHBondContact O-CA 3.4Å; L182-Q504 HydrophobicContact CD1-CG 4.06Å; V478-Q504 CarbonylContact C-O 3.6Å; V478-Q504 VanDerWaalsContact CA-O 3.28Å; V478-Q504 WeakPolarHBondContact CA-O 3.42Å; L479-Q504 HydrophobicContact CB-CB 4.11Å; L479-Q504 PolarHBondContact N-O 3.45Å; L479-Q504 PolarHBondContact O-N 3.32Å; P480-Q504 PolarHBondContact O-NE2 3.19Å
505	F	97.8	Very high	94.8	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	94.2	176.9	-67.5	-97.3	0	0	0	109.3	L169 R173 N181 V183 V186 L330 I472 F476 V478 L503	L169-F505 HydrophobicContact CD1-CD1 4.25Å; L169-F505 HydrophobicContact CD1-CE1 3.86Å; L169-F505 HydrophobicContact CD1-CZ 4.33Å; L169-F505 HydrophobicContact CD2-CE1 4.34Å; L169-F505 HydrophobicContact CD2-CE2 4.26Å; L169-F505 HydrophobicContact CD2-CZ 4.02Å; R173-F505 WeakPolarHBondContact CD-O 3.45Å; R173-F505 PolarHBondContact NH1-O 3.34Å; N181-F505 PolarHBondContact O-N 2.78Å; V183-F505 HydrophobicContact CB-CD2 3.91Å; V183-F505 HydrophobicContact CB-CE2 3.84Å; V183-F505 HydrophobicContact CG2-CD2 3.57Å; V183-F505 HydrophobicContact CG2-CE2 3.95Å; V186-F505 HydrophobicContact CG1-CE2 3.9Å; V186-F505 HydrophobicContact CG1-CZ 4.24Å; L330-F505 HydrophobicContact CD1-CE1 4.25Å; L330-F505 HydrophobicContact CD1-CZ 4.29Å; I472-F505 HydrophobicContact CG2-CD1 4.43Å; I472-F505 HydrophobicContact CG2-CE1 4.04Å; F476-F505 HydrophobicContact CB-CB 4.34Å; F476-F505 HydrophobicContact CB-CD1 4.13Å; F476-F505 HydrophobicContact CD1-CB 3.9Å; F476-F505 AromaticContact CD2-CD1 3.95Å; F476-F505 HydrophobicContact CD2-CD1 3.95Å; F476-F505 HydrophobicContact CE1-CB 4.3Å; F476-F505 HydrophobicContact CG-CB 4.04Å; F476-F505 HydrophobicContact CG-CD1 4.02Å; V478-F505 HydrophobicContact CG2-CD1 4Å; V478-F505 HydrophobicContact CG2-CE1 3.99Å; L503-F505 HydrophobicContact CB-CD2 4.48Å; L503-F505 HydrophobicContact CB-CE2 3.84Å; L503-F505 HydrophobicContact CB-CZ 4.32Å
506	V	96.9	Very high	94.9	Very high	40 Å²	40	45.8 Å²	45.8	24%	0.242	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	129.9	179.4	-174.8	0	0	0	0	108.4	N181 F476 E477 L479	N181-V506 HydrophobicContact CB-CG2 4.39Å; F476-V506 CarbonylContact C-O 3.4Å; F476-V506 WeakPolarHBondContact CA-O 3.39Å; E477-V506 HydrophobicContact CB-CB 4.31Å; E477-V506 PolarHBondContact N-O 3.07Å; E477-V506 PolarHBondContact O-N 3.39Å; L479-V506 HydrophobicContact CD1-CG2 3.9Å; L479-V506 HydrophobicContact CG-CG2 4.49Å
507	D	95.6	Very high	95.1	Very high	77 Å²	77	49.2 Å²	49.2	41%	0.412	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	140	179.5	-69.1	-60.7	0	0	0	110.8	R170 R173 H475 F476	R170-D507 IonicContact NE-OD1 3.54Å; R170-D507 PolarHBondContact NE-OD1 3.39Å; R170-D507 IonicContact NH2-OD1 3.68Å; R173-D507 IonicContact CZ-OD2 3.84Å; R173-D507 VanDerWaalsContact CZ-OD2 3.3Å; R173-D507 IonicContact NH1-OD1 3.78Å; R173-D507 PolarHBondContact NH1-OD1 3.15Å; R173-D507 IonicContact NH1-OD2 2.86Å; R173-D507 PolarHBondContact NH1-OD2 3.39Å; R173-D507 IonicContact NH2-OD1 2.68Å; R173-D507 IonicContact NH2-OD2 3.69Å; R173-D507 PolarHBondContact NH2-OD2 3.47Å; H475-D507 WeakPolarHBondContact O-CA 3.48Å; F476-D507 VanDerWaalsContact CE1-OD1 3.29Å; F476-D507 WeakPolarHBondContact CE1-OD1 2.98Å
508	R	91.6	Very high	95.1	Very high	135 Å²	135	52.3 Å²	52.3	51%	0.509	25%	0.25	S	S	.	.			trans	-92.7	0	174.5	-76.1	-173.2	-178	-74.6	-3.3	113.2	Q340 L473 H475 F476 E477	Q340-R508 VanDerWaalsContact OE1-NH2 3.15Å; L473-R508 WeakPolarHBondContact O-CD 3.33Å; H475-R508 PolarHBondContact O-N 3.33Å; F476-R508 PolarHBondContact O-NE 2.99Å; F476-R508 VanDerWaalsContact O-NE 3.08Å; E477-R508 HydrophobicContact CB-CG 4.2Å; E477-R508 IonicContact OE1-CZ 3.9Å; E477-R508 IonicContact OE1-NH1 3.74Å; E477-R508 IonicContact OE1-NH2 3.33Å; E477-R508 PolarHBondContact OE1-NH2 3.39Å

Retrieved 508 of 508 residues in 278.5 ms (Link to these results)

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