A0A077ZG55_TRITR Loading...

Pkinase and PKK domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZG55, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 878 aa.

						>A0A077ZG55_TRITR|A0A077ZG55
MPLLDVLKNFFKSNGYGTDSKRSPAYNFIQFGVDPHDIWDVVSDLGDGAFGKVQKVIHKENGTCAAAKAIELQSEEDIDEYLVEIEILTQCHHKNVVRLYEVLTYFFSFYNILMLEFCGGGAVDSIMVELEKPLSEPQIRFVCHELCEALRFLHKCHVIHRDLKAGNILLTFEGEVKLGDFGVSAKSSDSLHRRTTFIGTPYWMAPEVMVCETFKEQPYGSKCDIWSLGITLIELAEMEPPYHEMSPMRVVFKVQKSDPPTLCNPAKWYTFHNFLSRCLVKNPNERDSADLLCLHSFVSGQDDPKPILQLLSELKADVIAEVVEEIEEEAFTTFLCILALRDSSVHVQSNAAQSALSASAYAEGLIEREVPPAIGPFLPSNSFPSNLSASVTQICPFLESHTVGKADEPPPEPPIDYETALVAKDAGQSDFSCTVLVKFPMKKRSNNIDKYVKETANGNSLLARRNPHRRTVTKKTRVFVLDGVQVTSTTYHVMSDDDTVCLFRKAELQEMRRLQKEEVRQFQELSLRAEMQRDQQSRKFEQDLQTLLREYESEVDSIMRCQKKQLEEAEKIQEDDMKIATKRLKVEEVELKHFREVLRQEHKLLKQEMDFLPKQDRKELYKQRKELLDAQQHAHALTLNRLDDSHRQKITLLERQFLQQKHQMLRAREAALWELEERQLHERHQLLKNQMKEDFFLQRSHMLVRHQKELEHVKKVNQRKEEDAIRAQTSERKRLPKILRSETKTRTMMFRESLKIRMLDPGDVAAKLREFEERERYRIAQELKKQELKHKKRMDLLRAENEATNEKRKLLLEHENLRLKLFDEEYANELKAWKAQLKPRKQKLEEKFSGELNEQERFYERTLTGSPSLLSVRHSCYT
					

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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	42	Very low	47.6	Very low	197 Å²	197	119.2 Å²	119.2	97%	0.97	61%	0.609	S	S	*	*				0	17.3	0	-76.5	-67.4	-130.3	0	0	116.3	L4	M1-L4 HydrophobicContact SD-CD1 4.1Å
2	P	55.7	Low	46.7	Very low	104 Å²	104	120.8 Å²	120.8	68%	0.675	61%	0.609	S	S	*	*			trans	-89.8	-6.8	172.7	34.2	-32.2	0	0	0	114.6
3	L	52.6	Low	46	Very low	129 Å²	129	117.8 Å²	117.8	68%	0.675	61%	0.606	S	S	*	*	H	α-helix	trans	-76.1	-23.9	-174.9	-144	122.4	0	0	0	113.5	L7	L3-L7 HydrophobicContact CD2-CD1 3.88Å; L3-L7 PolarHBondContact O-N 2.83Å
4	L	52	Low	44.9	Very low	101 Å²	101	117.1 Å²	117.1	53%	0.529	60%	0.604	S	S	.	*	H	α-helix	trans	-74.6	-28.9	179.7	-92.9	147.1	0	0	0	112.8	M1 K8	M1-L4 HydrophobicContact SD-CD1 4.1Å; L4-K8 WeakPolarHBondContact O-CB 3.25Å; L4-K8 WeakPolarHBondContact O-CG 3.34Å; L4-K8 PolarHBondContact O-N 3.25Å
5	D	57.4	Low	44.2	Very low	99 Å²	99	112.9 Å²	112.9	53%	0.529	60%	0.601	S	S	.	*	H	α-helix	trans	-76.9	-35	177.4	-67.3	-29	0	0	0	111.5	K8 N9	D5-K8 PolarHBondContact O-N 2.91Å; D5-N9 WeakPolarHBondContact O-CB 3.33Å; D5-N9 PolarHBondContact O-N 3.03Å
6	V	57.6	Low	43.5	Very low	102 Å²	102	120.5 Å²	120.5	62%	0.618	62%	0.621	S	S	*	*	H	α-helix	trans	-65.3	-43.1	172.4	-178.9	0	0	0	0	110.8	N9 F10	V6-N9 PolarHBondContact O-N 3.4Å; V6-F10 WeakPolarHBondContact O-CB 3.43Å; V6-F10 PolarHBondContact O-N 3.21Å
7	L	42.9	Very low	42.6	Very low	73 Å²	73	116.1 Å²	116.1	38%	0.382	61%	0.611	S	S	.	*	H	α-helix	trans	-69.3	-35.5	176.2	-82.6	161.9	0	0	0	112.7	L3 N9 F10 F11	L3-L7 HydrophobicContact CD2-CD1 3.88Å; L3-L7 PolarHBondContact O-N 2.83Å; L7-N9 VanDerWaalsContact C-N 3.33Å; L7-F10 PolarHBondContact O-N 3.33Å; L7-F11 HydrophobicContact CB-CD2 4.46Å; L7-F11 HydrophobicContact CD2-CD2 4.32Å; L7-F11 HydrophobicContact CD2-CE2 3.79Å; L7-F11 WeakPolarHBondContact O-CB 3.36Å; L7-F11 WeakPolarHBondContact O-CD2 3.37Å; L7-F11 PolarHBondContact O-N 3.46Å
8	K	43	Very low	42.2	Very low	130 Å²	130	117.7 Å²	117.7	57%	0.565	63%	0.627	S	S	*	*	H	α-helix	trans	-64.5	-38.1	172.4	-84.7	178.9	177.4	177.1	0	111.9	L4 D5 K12	L4-K8 WeakPolarHBondContact O-CB 3.25Å; L4-K8 WeakPolarHBondContact O-CG 3.34Å; L4-K8 PolarHBondContact O-N 3.25Å; D5-K8 PolarHBondContact O-N 2.91Å; K8-K12 VanDerWaalsContact O-CB 3.24Å; K8-K12 WeakPolarHBondContact O-CB 3.42Å; K8-K12 WeakPolarHBondContact O-CG 3.11Å; K8-K12 PolarHBondContact O-N 3.4Å
9	N	43.5	Very low	41.9	Very low	113 Å²	113	117.8 Å²	117.8	60%	0.604	63%	0.628	S	S	*	*	H	α-helix	trans	-68.9	-36.4	173.1	-73.9	-6.5	0	0	0	111.6	D5 V6 L7 K12 S13	D5-N9 WeakPolarHBondContact O-CB 3.33Å; D5-N9 PolarHBondContact O-N 3.03Å; V6-N9 PolarHBondContact O-N 3.4Å; L7-N9 VanDerWaalsContact C-N 3.33Å; N9-K12 PolarHBondContact O-N 3.03Å; N9-S13 VanDerWaalsContact O-CB 3.32Å; N9-S13 WeakPolarHBondContact O-CB 3.3Å; N9-S13 PolarHBondContact O-N 3Å
10	F	43.3	Very low	41.6	Very low	124 Å²	124	117.4 Å²	117.4	54%	0.544	63%	0.634	S	S	.	*	H	α-helix	trans	-68	-41.3	177.2	-159.7	-98.4	0	0	0	112.7	V6 L7 S13 N14	V6-F10 WeakPolarHBondContact O-CB 3.43Å; V6-F10 PolarHBondContact O-N 3.21Å; L7-F10 PolarHBondContact O-N 3.33Å; F10-S13 PolarHBondContact O-N 3.32Å; F10-N14 PolarHBondContact O-N 3.37Å; F10-N14 VanDerWaalsContact O-N 3.11Å
11	F	33.3	Very low	41.7	Very low	139 Å²	139	121.8 Å²	121.8	61%	0.61	65%	0.648	S	S	*	*	H	α-helix	trans	-80.9	-22.2	176.1	-74.5	-66.2	0	0	0	113.7	L7 N14	L7-F11 HydrophobicContact CB-CD2 4.46Å; L7-F11 HydrophobicContact CD2-CD2 4.32Å; L7-F11 HydrophobicContact CD2-CE2 3.79Å; L7-F11 WeakPolarHBondContact O-CB 3.36Å; L7-F11 WeakPolarHBondContact O-CD2 3.37Å; L7-F11 PolarHBondContact O-N 3.46Å; F11-N14 CarbonylContact O-C 3.4Å
12	K	37	Very low	42.3	Very low	139 Å²	139	121.1 Å²	121.1	60%	0.604	63%	0.634	S	S	*	*	H	α-helix	trans	-69.6	-36.7	165	-85.9	-171.3	169.4	-158	0	111.8	K8 N9	K8-K12 VanDerWaalsContact O-CB 3.24Å; K8-K12 WeakPolarHBondContact O-CB 3.42Å; K8-K12 WeakPolarHBondContact O-CG 3.11Å; K8-K12 PolarHBondContact O-N 3.4Å; N9-K12 PolarHBondContact O-N 3.03Å
13	S	38.3	Very low	42.6	Very low	82 Å²	82	117.8 Å²	117.8	57%	0.573	61%	0.614	S	S	*	*	H	α-helix	trans	-66	-37.2	175	157.7	0	0	0	0	111.9	N9 F10	N9-S13 VanDerWaalsContact O-CB 3.32Å; N9-S13 WeakPolarHBondContact O-CB 3.3Å; N9-S13 PolarHBondContact O-N 3Å; F10-S13 PolarHBondContact O-N 3.32Å
14	N	30.1	Very low	43.3	Very low	107 Å²	107	115.9 Å²	115.9	57%	0.572	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.1	67.9	177.6	-76	-9.2	0	0	0	112.7	F10 F11	F10-N14 PolarHBondContact O-N 3.37Å; F10-N14 VanDerWaalsContact O-N 3.11Å; F11-N14 CarbonylContact O-C 3.4Å
15	G	35.1	Very low	44.3	Very low	54 Å²	54	111.1 Å²	111.1	56%	0.557	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	93.9	14.2	131.7	0	0	0	0	0	121.8
16	Y	32	Very low	45.2	Very low	235 Å²	235	108 Å²	108	92%	0.922	57%	0.565	S	S	*	*			trans	-146.4	38.2	169.3	-72.2	-76.7	0	0	0	115.1
17	G	28.1	Very low	46.2	Very low	45 Å²	45	109.8 Å²	109.8	46%	0.464	57%	0.571	S	S	.	*			trans	-104	121.7	167.3	0	0	0	0	0	110.4	D19	G17-D19 PolarHBondContact O-N 2.69Å
18	T	36.4	Very low	48	Very low	146 Å²	146	110.5 Å²	110.5	90%	0.896	57%	0.572	S	S	*	*			trans	-69.8	74.7	174.6	52.6	0	0	0	0	110.5
19	D	35.4	Very low	50	Low	119 Å²	119	104.7 Å²	104.7	64%	0.636	55%	0.547	S	S	*	.			trans	-119	99.7	171.3	-80.5	-38.9	0	0	0	108.8	G17	G17-D19 PolarHBondContact O-N 2.69Å
20	S	37.3	Very low	51.9	Low	109 Å²	109	103.3 Å²	103.3	76%	0.762	54%	0.536	S	S	*	.			trans	40.9	94.3	138.5	-44.4	0	0	0	0	118.9
21	K	43	Very low	53.8	Low	211 Å²	211	103.5 Å²	103.5	92%	0.917	54%	0.538	S	S	*	.			trans	44.7	70.8	147.9	-61.3	-177.1	179	-179.6	0	117.3
22	R	54.1	Low	55.9	Low	182 Å²	182	98.2 Å²	98.2	69%	0.687	52%	0.522	S	S	*	.			trans	-64.6	139.2	154	-81.2	-175.8	175	176.7	-3.6	109.8	Y26	R22-Y26 HydrophobicContact CB-CD2 4.24Å; R22-Y26 HydrophobicContact CG-CD2 4.45Å
23	S	62.7	Low	58	Low	34 Å²	34	93.3 Å²	93.3	24%	0.238	50%	0.504	C	S	.	.			trans	-56	134.7	173.5	175.5	0	0	0	0	109.9	A25 Y26	S23-A25 PolarHBondContact O-N 3.42Å; S23-A25 WeakPolarHBondContact OG-CB 3.48Å; S23-A25 PolarHBondContact OG-N 3.47Å; S23-Y26 WeakPolarHBondContact O-CB 3.46Å; S23-Y26 PolarHBondContact O-N 2.95Å
24	P	66.7	Low	60.1	Low	89 Å²	89	91.5 Å²	91.5	58%	0.578	49%	0.488	S	S	*	.	G	3₁₀ helix	trans	-53.7	-22.9	173.6	-24.8	33.6	0	0	0	113.4	Y26 N27	P24-Y26 PolarHBondContact O-N 3.3Å; P24-N27 WeakPolarHBondContact O-CB 3.49Å; P24-N27 PolarHBondContact O-N 3.4Å; P24-N27 PolarHBondContact O-ND2 3.37Å
25	A	72.7	Confident	62.8	Low	1 Å²	1	87 Å²	87	1%	0.008	46%	0.464	C	S	.	.	G	3₁₀ helix	trans	-61.9	-26.2	178	0	0	0	0	0	113.7	S23 N27 F28 L82 E86	S23-A25 PolarHBondContact O-N 3.42Å; S23-A25 WeakPolarHBondContact OG-CB 3.48Å; S23-A25 PolarHBondContact OG-N 3.47Å; A25-N27 PolarHBondContact O-N 3.35Å; A25-N27 VanDerWaalsContact O-N 3.17Å; A25-F28 HydrophobicContact CB-CD2 4.46Å; A25-F28 WeakPolarHBondContact O-CD2 3.43Å; A25-F28 PolarHBondContact O-N 3.42Å; A25-L82 HydrophobicContact CB-CB 4.39Å; A25-L82 HydrophobicContact CB-CD2 4.13Å; A25-E86 HydrophobicContact CB-CB 3.94Å; A25-E86 HydrophobicContact CB-CG 4.43Å
26	Y	76	Confident	65.2	Low	33 Å²	33	89.8 Å²	89.8	13%	0.129	46%	0.462	C	S	.	.	G	3₁₀ helix	trans	-57.8	-28.5	174.5	-95.9	-79.2	0	0	0	113.2	R22 S23 P24 F28 I29 F31 I78 L82	R22-Y26 HydrophobicContact CB-CD2 4.24Å; R22-Y26 HydrophobicContact CG-CD2 4.45Å; S23-Y26 WeakPolarHBondContact O-CB 3.46Å; S23-Y26 PolarHBondContact O-N 2.95Å; P24-Y26 PolarHBondContact O-N 3.3Å; Y26-F28 PolarHBondContact O-N 3.33Å; Y26-I29 HydrophobicContact CD1-CD1 4.31Å; Y26-I29 PolarHBondContact O-N 3.04Å; Y26-F31 HydrophobicContact CD1-CZ 4.14Å; Y26-I78 HydrophobicContact CE1-CD1 3.86Å; Y26-I78 WeakPolarHBondContact OH-CG2 3.35Å; Y26-L82 HydrophobicContact CD2-CD1 3.52Å; Y26-L82 HydrophobicContact CD2-CD2 4.15Å; Y26-L82 HydrophobicContact CE2-CD1 3.17Å; Y26-L82 HydrophobicContact CE2-CD2 4.37Å; Y26-L82 HydrophobicContact CE2-CG 4.36Å; Y26-L82 HydrophobicContact CG-CD1 4.41Å; Y26-L82 HydrophobicContact CG-CD2 4.28Å
27	N	78.7	Confident	67.9	Low	140 Å²	140	84 Å²	84	75%	0.749	45%	0.448	S	S	*	.	G	3₁₀ helix	trans	-69.2	-14.3	-179.9	-63.5	-34.4	0	0	0	113	P24 A25	P24-N27 WeakPolarHBondContact O-CB 3.49Å; P24-N27 PolarHBondContact O-N 3.4Å; P24-N27 PolarHBondContact O-ND2 3.37Å; A25-N27 PolarHBondContact O-N 3.35Å; A25-N27 VanDerWaalsContact O-N 3.17Å
28	F	81.9	Confident	70.9	Confident	88 Å²	88	84 Å²	84	39%	0.386	44%	0.436	S	S	.	.	G	3₁₀ helix	trans	-88.6	-5.5	177.5	-55.1	-60.9	0	0	0	113.1	A25 Y26 I85 T89	A25-F28 HydrophobicContact CB-CD2 4.46Å; A25-F28 WeakPolarHBondContact O-CD2 3.43Å; A25-F28 PolarHBondContact O-N 3.42Å; Y26-F28 PolarHBondContact O-N 3.33Å; F28-I85 HydrophobicContact CB-CG2 4.21Å; F28-I85 HydrophobicContact CD2-CG2 4.46Å; F28-T89 HydrophobicContact CD1-CG2 3.77Å; F28-T89 HydrophobicContact CD2-CG2 3.88Å; F28-T89 HydrophobicContact CE1-CG2 3.53Å; F28-T89 HydrophobicContact CE2-CG2 3.67Å; F28-T89 HydrophobicContact CG-CG2 3.96Å; F28-T89 HydrophobicContact CZ-CG2 3.49Å; F28-T89 VanDerWaalsContact CZ-CG2 3.49Å
29	I	84.4	Confident	73.6	Confident	9 Å²	9	77.5 Å²	77.5	5%	0.046	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	119.4	178.1	-54.8	178.8	0	0	0	109	Y26 F31 I78 L82 I85 V102 T104	Y26-I29 HydrophobicContact CD1-CD1 4.31Å; Y26-I29 PolarHBondContact O-N 3.04Å; I29-F31 HydrophobicContact CB-CE2 3.87Å; I29-F31 HydrophobicContact CB-CZ 3.95Å; I29-F31 HydrophobicContact CG2-CD1 4.43Å; I29-F31 HydrophobicContact CG2-CD2 4.36Å; I29-F31 HydrophobicContact CG2-CE1 4.01Å; I29-F31 HydrophobicContact CG2-CE2 3.93Å; I29-F31 HydrophobicContact CG2-CZ 3.73Å; I29-F31 VanDerWaalsContact O-CD2 3.24Å; I29-F31 WeakPolarHBondContact O-CD2 3.48Å; I29-F31 WeakPolarHBondContact O-CE2 3.43Å; I29-I78 HydrophobicContact CD1-CD1 4.3Å; I29-L82 HydrophobicContact CD1-CD2 3.9Å; I29-I85 HydrophobicContact CD1-CD1 4.12Å; I29-I85 HydrophobicContact CG1-CD1 4.24Å; I29-V102 HydrophobicContact CG1-CB 4.31Å; I29-V102 HydrophobicContact CG1-CG1 4.01Å; I29-V102 HydrophobicContact CG2-CG1 4.3Å; I29-T104 HydrophobicContact CG2-CG2 3.62Å
30	Q	83.9	Confident	76.4	Confident	83 Å²	83	75.9 Å²	75.9	39%	0.388	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	110.8	173.9	-62.4	-177	46.4	0	0	110	V33 E101 V102 L103 T104	Q30-V33 HydrophobicContact CB-CG2 4.24Å; Q30-E101 PolarHBondContact NE2-OE2 3.11Å; Q30-V102 PolarHBondContact N-O 2.85Å; Q30-L103 HydrophobicContact CB-CD2 3.86Å; Q30-L103 HydrophobicContact CG-CD2 4.29Å; Q30-T104 WeakPolarHBondContact O-CG2 3.45Å; Q30-T104 PolarHBondContact O-N 3.18Å
31	F	82.1	Confident	79	Confident	129 Å²	129	73.9 Å²	73.9	57%	0.566	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.3	137.3	-177.9	-65.1	-87.9	0	0	0	112.6	Y26 I29 V33 T104	Y26-F31 HydrophobicContact CD1-CZ 4.14Å; I29-F31 HydrophobicContact CB-CE2 3.87Å; I29-F31 HydrophobicContact CB-CZ 3.95Å; I29-F31 HydrophobicContact CG2-CD1 4.43Å; I29-F31 HydrophobicContact CG2-CD2 4.36Å; I29-F31 HydrophobicContact CG2-CE1 4.01Å; I29-F31 HydrophobicContact CG2-CE2 3.93Å; I29-F31 HydrophobicContact CG2-CZ 3.73Å; I29-F31 VanDerWaalsContact O-CD2 3.24Å; I29-F31 WeakPolarHBondContact O-CD2 3.48Å; I29-F31 WeakPolarHBondContact O-CE2 3.43Å; F31-V33 VanDerWaalsContact C-N 3.35Å; F31-T104 HydrophobicContact CB-CG2 4.17Å; F31-T104 HydrophobicContact CD1-CG2 3.28Å; F31-T104 HydrophobicContact CE1-CG2 3.76Å; F31-T104 HydrophobicContact CG-CG2 3.85Å
32	G	79	Confident	81.2	Confident	27 Å²	27	67.3 Å²	67.3	28%	0.278	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.3	21	170.8	0	0	0	0	0	114	T104 F106	G32-T104 PolarHBondContact N-O 3.16Å; G32-F106 WeakPolarHBondContact O-CE2 3.46Å
33	V	80.5	Confident	82.8	Confident	37 Å²	37	61 Å²	61	22%	0.224	33%	0.331	C	S	.	.			trans	-102.9	124.6	175	179.8	0	0	0	0	107.5	Q30 F31 P35 I38 L103 T104	Q30-V33 HydrophobicContact CB-CG2 4.24Å; F31-V33 VanDerWaalsContact C-N 3.35Å; V33-P35 VanDerWaalsContact O-CD 3.27Å; V33-P35 WeakPolarHBondContact O-CD 2.96Å; V33-I38 HydrophobicContact CG1-CD1 3.45Å; V33-I38 VanDerWaalsContact CG1-CD1 3.45Å; V33-I38 HydrophobicContact CG1-CG1 4.33Å; V33-L103 HydrophobicContact CB-CD2 4.43Å; V33-L103 HydrophobicContact CG1-CD2 4.29Å; V33-T104 PolarHBondContact N-O 2.72Å
34	D	82.9	Confident	84	Confident	44 Å²	44	63.1 Å²	63.1	24%	0.235	34%	0.34	C	S	.	.			trans	-73.8	119.1	169.1	-168.6	-21.7	0	0	0	108.8	H36 D37 Y105	D34-H36 PolarHBondContact O-N 3.29Å; D34-H36 VanDerWaalsContact O-N 3.16Å; D34-H36 WeakPolarHBondContact OD1-CB 3.32Å; D34-H36 IonicContact OD1-CG 3.51Å; D34-H36 PolarHBondContact OD1-N 2.78Å; D34-H36 IonicContact OD1-ND1 3.65Å; D34-H36 PolarHBondContact OD1-ND1 2.78Å; D34-D37 HydrophobicContact CB-CB 4.48Å; D34-D37 WeakPolarHBondContact O-CB 3.47Å; D34-D37 PolarHBondContact O-N 2.99Å; D34-Y105 HydrophobicContact CB-CD2 4.05Å; D34-Y105 HydrophobicContact CB-CE2 4.11Å
35	P	85.8	Confident	84.8	Confident	11 Å²	11	62.9 Å²	62.9	7%	0.071	33%	0.333	C	S	.	.	H	α-helix	trans	-54.7	-32.3	175.6	-26.3	37.1	0	0	0	113	V33 D37 I38 W39 L103 I112 M114	V33-P35 VanDerWaalsContact O-CD 3.27Å; V33-P35 WeakPolarHBondContact O-CD 2.96Å; P35-D37 PolarHBondContact O-N 3.11Å; P35-I38 PolarHBondContact O-N 3.16Å; P35-W39 WeakPolarHBondContact O-CB 3.45Å; P35-W39 PolarHBondContact O-N 3.13Å; P35-L103 HydrophobicContact CB-CD1 3.92Å; P35-L103 HydrophobicContact CG-CB 3.99Å; P35-L103 HydrophobicContact CG-CD1 4.09Å; P35-I112 HydrophobicContact CB-CD1 3.88Å; P35-I112 HydrophobicContact CG-CD1 3.54Å; P35-I112 HydrophobicContact CG-CG1 4.27Å; P35-M114 HydrophobicContact CB-CE 4.03Å
36	H	86.1	Confident	85	Confident	113 Å²	113	64.5 Å²	64.5	52%	0.523	35%	0.349	S	S	.	.	H	α-helix	trans	-70.8	-15.4	178.9	-61.1	86.7	0	0	0	113.2	D34 I38 K59	D34-H36 PolarHBondContact O-N 3.29Å; D34-H36 VanDerWaalsContact O-N 3.16Å; D34-H36 WeakPolarHBondContact OD1-CB 3.32Å; D34-H36 IonicContact OD1-CG 3.51Å; D34-H36 PolarHBondContact OD1-N 2.78Å; D34-H36 IonicContact OD1-ND1 3.65Å; D34-H36 PolarHBondContact OD1-ND1 2.78Å; H36-I38 VanDerWaalsContact C-N 3.34Å; H36-K59 WeakPolarHBondContact O-CE 3.42Å; H36-K59 PolarHBondContact O-NZ 3.44Å
37	D	88.7	Confident	84.7	Confident	115 Å²	115	69.5 Å²	69.5	62%	0.615	38%	0.379	S	S	*	.	H	α-helix	trans	-72.7	-32.4	174.2	-74.6	-24.6	0	0	0	111.1	D34 P35 K59	D34-D37 HydrophobicContact CB-CB 4.48Å; D34-D37 WeakPolarHBondContact O-CB 3.47Å; D34-D37 PolarHBondContact O-N 2.99Å; P35-D37 PolarHBondContact O-N 3.11Å; D37-K59 WeakPolarHBondContact O-CD 3.47Å; D37-K59 PolarHBondContact O-NZ 3.39Å; D37-K59 VanDerWaalsContact O-NZ 3.09Å
38	I	91.3	Very high	83.8	Confident	44 Å²	44	64.9 Å²	64.9	23%	0.226	36%	0.364	C	S	.	.	H	α-helix	trans	-105.1	-33.9	-172.1	-55.3	174.5	0	0	0	112.1	V33 P35 H36 H58 K59	V33-I38 HydrophobicContact CG1-CD1 3.45Å; V33-I38 VanDerWaalsContact CG1-CD1 3.45Å; V33-I38 HydrophobicContact CG1-CG1 4.33Å; P35-I38 PolarHBondContact O-N 3.16Å; H36-I38 VanDerWaalsContact C-N 3.34Å; I38-H58 WeakPolarHBondContact CG2-NE2 3.44Å; I38-K59 WeakPolarHBondContact O-CB 3.3Å; I38-K59 WeakPolarHBondContact O-CG 3.37Å; I38-K59 PolarHBondContact O-N 3.4Å
39	W	93.2	Very high	82.7	Confident	9 Å²	9	65.5 Å²	65.5	3%	0.034	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	134	-171.3	-64	88.8	0	0	0	111.8	P35 V56 I57 H58 T63 A65 Y100 E101 M114	P35-W39 WeakPolarHBondContact O-CB 3.45Å; P35-W39 PolarHBondContact O-N 3.13Å; W39-V56 HydrophobicContact CB-CB 4.25Å; W39-V56 HydrophobicContact CB-CG2 4.46Å; W39-V56 HydrophobicContact CD2-CG2 4.12Å; W39-V56 HydrophobicContact CE3-CB 4.09Å; W39-V56 HydrophobicContact CE3-CG2 3.51Å; W39-V56 HydrophobicContact CZ3-CG2 4.08Å; W39-I57 WeakPolarHBondContact CA-O 3.45Å; W39-I57 VanDerWaalsContact CE3-C 3.44Å; W39-H58 HydrophobicContact CD2-CB 4.18Å; W39-H58 AromaticContact CE2-CD2 3.81Å; W39-H58 HydrophobicContact CE3-CB 3.79Å; W39-H58 HydrophobicContact CH2-CB 3.77Å; W39-H58 HydrophobicContact CZ2-CB 4.15Å; W39-H58 AromaticContact CZ2-CD2 3.62Å; W39-H58 HydrophobicContact CZ3-CB 3.59Å; W39-T63 VanDerWaalsContact CZ3-O 3.31Å; W39-T63 WeakPolarHBondContact CZ3-O 3.29Å; W39-A65 HydrophobicContact CE3-CB 4.26Å; W39-A65 HydrophobicContact CH2-CB 3.7Å; W39-A65 HydrophobicContact CZ3-CB 3.48Å; W39-A65 VanDerWaalsContact CZ3-CB 3.48Å; W39-Y100 HydrophobicContact CH2-CD2 4.39Å; W39-E101 VanDerWaalsContact CE2-OE1 3.28Å; W39-E101 WeakPolarHBondContact CZ2-OE1 3.42Å; W39-E101 PolarHBondContact NE1-OE1 2.99Å; W39-M114 HydrophobicContact CB-CE 4.46Å; W39-M114 HydrophobicContact CD2-CE 4.45Å; W39-M114 HydrophobicContact CD2-SD 4.38Å; W39-M114 HydrophobicContact CG-CE 3.97Å; W39-M114 HydrophobicContact CG-SD 4.48Å; W39-M114 HydrophobicContact CZ2-CG 4.41Å
40	D	92.8	Very high	81.6	Confident	85 Å²	85	68 Å²	68	46%	0.455	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	131.3	171	-74.1	-33.2	0	0	0	110.6	V56 I57 K59	D40-V56 CarbonylContact O-C 3.44Å; D40-V56 WeakPolarHBondContact O-CA 3.48Å; D40-V56 WeakPolarHBondContact O-CB 3.19Å; D40-I57 PolarHBondContact N-O 2.87Å; D40-I57 PolarHBondContact O-N 3.11Å; D40-K59 WeakPolarHBondContact OD1-CE 3.42Å; D40-K59 IonicContact OD1-NZ 3.37Å
41	V	93.1	Very high	80.9	Confident	67 Å²	67	65.4 Å²	65.4	41%	0.406	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	126.8	174.3	-177.6	0	0	0	0	110	Q54 V56	V41-Q54 HydrophobicContact CG1-CB 4.41Å; V41-V56 HydrophobicContact CG2-CG1 4.22Å
42	V	88.1	Confident	80.9	Confident	73 Å²	73	62.9 Å²	62.9	44%	0.442	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	-53	-178.2	-178.9	0	0	0	0	111.9	K55 I57	V42-K55 HydrophobicContact CB-CB 4.33Å; V42-K55 HydrophobicContact CB-CD 4.22Å; V42-K55 HydrophobicContact CB-CG 4.17Å; V42-K55 WeakPolarHBondContact CB-O 3.4Å; V42-K55 HydrophobicContact CG1-CD 4.11Å; V42-K55 PolarHBondContact N-O 3.45Å; V42-I57 HydrophobicContact CG2-CB 4.21Å; V42-I57 HydrophobicContact CG2-CD1 3.46Å; V42-I57 VanDerWaalsContact CG2-CD1 3.46Å; V42-I57 HydrophobicContact CG2-CG1 3.57Å
43	S	87.6	Confident	81.4	Confident	50 Å²	50	63.3 Å²	63.3	35%	0.35	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162	155.7	-174.4	63.3	0	0	0	0	111.5	Q54 K55	S43-Q54 CarbonylContact O-C 3.48Å; S43-Q54 WeakPolarHBondContact O-CA 3.22Å; S43-K55 PolarHBondContact N-O 2.98Å; S43-K55 PolarHBondContact O-N 2.99Å
44	D	88.6	Confident	82	Confident	79 Å²	79	63.5 Å²	63.5	42%	0.422	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	135.3	170.9	-61.7	-28.3	0	0	0	110.4	K52 Q54	D44-K52 WeakPolarHBondContact OD1-CE 3.37Å; D44-K52 IonicContact OD1-NZ 3.54Å; D44-K52 PolarHBondContact OD1-NZ 3.03Å; D44-K52 WeakPolarHBondContact OD2-CE 3.17Å; D44-K52 IonicContact OD2-NZ 2.79Å; D44-K52 PolarHBondContact OD2-NZ 3.43Å; D44-Q54 PolarHBondContact OD1-NE2 3.34Å
45	L	83.1	Confident	82.5	Confident	84 Å²	84	63.7 Å²	63.7	44%	0.44	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	-32.7	176.9	-65.3	175	0	0	0	111.8	V53 K55 A66 F117	L45-V53 HydrophobicContact CB-CB 4.49Å; L45-V53 HydrophobicContact CB-CG1 4.27Å; L45-V53 HydrophobicContact CD1-CG1 4.27Å; L45-V53 PolarHBondContact N-O 2.99Å; L45-K55 HydrophobicContact CD1-CB 4.02Å; L45-K55 HydrophobicContact CD2-CB 4.05Å; L45-K55 HydrophobicContact CG-CB 3.97Å; L45-A66 HydrophobicContact CD1-CB 4.04Å; L45-F117 HydrophobicContact CD1-CD2 4Å; L45-F117 HydrophobicContact CD1-CE2 3.81Å; L45-F117 HydrophobicContact CD2-CE2 3.9Å
46	G	76.7	Confident	83	Confident	34 Å²	34	63.4 Å²	63.4	35%	0.351	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	165.2	174.3	174.9	0	0	0	0	0	113.2	V53	G46-V53 PolarHBondContact N-O 3.11Å; G46-V53 PolarHBondContact O-N 2.93Å
47	D	69.8	Low	83.4	Confident	139 Å²	139	60.6 Å²	60.6	74%	0.743	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.2	112.2	173.2	-63.5	-48.1	0	0	0	109.1
48	G	58.9	Low	83.7	Confident	43 Å²	43	56.3 Å²	56.3	44%	0.443	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	174.5	174	0	0	0	0	0	112.1	F50 G51	G48-F50 PolarHBondContact O-N 2.85Å; G48-G51 WeakPolarHBondContact CA-O 3.39Å; G48-G51 PolarHBondContact N-O 3.31Å; G48-G51 PolarHBondContact O-N 3.18Å
49	A	59.1	Low	83.8	Confident	101 Å²	101	58.9 Å²	58.9	84%	0.835	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-26.2	177.1	0	0	0	0	0	113.6
50	F	62.1	Low	83.8	Confident	61 Å²	61	67 Å²	67	27%	0.268	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-0.9	-175.2	-56.5	-68.9	0	0	0	114	G48 Y81	G48-F50 PolarHBondContact O-N 2.85Å; F50-Y81 HydrophobicContact CB-CE1 4.48Å; F50-Y81 AromaticContact CD1-CE1 3.84Å; F50-Y81 HydrophobicContact CD1-CE1 3.84Å; F50-Y81 AromaticContact CD1-CZ 3.96Å; F50-Y81 VanDerWaalsContact CD1-OH 3.23Å; F50-Y81 WeakPolarHBondContact CD1-OH 3.14Å; F50-Y81 HydrophobicContact CE1-CE1 4.23Å; F50-Y81 HydrophobicContact CG-CE1 4.17Å
51	G	69.3	Low	83.9	Confident	29 Å²	29	67.7 Å²	67.7	30%	0.299	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	140	-174.1	-177.8	0	0	0	0	0	113.5	G48 A69	G48-G51 WeakPolarHBondContact CA-O 3.39Å; G48-G51 PolarHBondContact N-O 3.31Å; G48-G51 PolarHBondContact O-N 3.18Å; G51-A69 WeakPolarHBondContact CA-O 3.17Å
52	K	82.3	Confident	83.7	Confident	76 Å²	76	66.7 Å²	66.7	33%	0.33	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	140	-175.7	-165	175.8	-170.5	-169.3	0	111.4	D44 Q54 A69	D44-K52 WeakPolarHBondContact OD1-CE 3.37Å; D44-K52 IonicContact OD1-NZ 3.54Å; D44-K52 PolarHBondContact OD1-NZ 3.03Å; D44-K52 WeakPolarHBondContact OD2-CE 3.17Å; D44-K52 IonicContact OD2-NZ 2.79Å; D44-K52 PolarHBondContact OD2-NZ 3.43Å; K52-Q54 HydrophobicContact CD-CG 4.15Å; K52-Q54 HydrophobicContact CG-CG 4.04Å; K52-A69 PolarHBondContact O-N 3.34Å
53	V	89.1	Confident	84	Confident	35 Å²	35	65.9 Å²	65.9	21%	0.212	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	125.9	172.9	-171.4	0	0	0	0	109.2	L45 G46 A66 A67 K68	L45-V53 HydrophobicContact CB-CB 4.49Å; L45-V53 HydrophobicContact CB-CG1 4.27Å; L45-V53 HydrophobicContact CD1-CG1 4.27Å; L45-V53 PolarHBondContact N-O 2.99Å; G46-V53 PolarHBondContact N-O 3.11Å; G46-V53 PolarHBondContact O-N 2.93Å; V53-A66 HydrophobicContact CG1-CB 4.24Å; V53-A67 CarbonylContact C-O 3.58Å; V53-A67 VanDerWaalsContact CA-O 3.32Å; V53-A67 WeakPolarHBondContact CA-O 3.46Å; V53-K68 HydrophobicContact CG2-CB 4.43Å; V53-K68 HydrophobicContact CG2-CG 4.31Å
54	Q	92.9	Very high	84.3	Confident	41 Å²	41	65.4 Å²	65.4	19%	0.192	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	145.7	-176.4	-57.8	-175.4	-68.5	0	0	111.1	V41 S43 D44 K52 A66 A67	V41-Q54 HydrophobicContact CG1-CB 4.41Å; S43-Q54 CarbonylContact O-C 3.48Å; S43-Q54 WeakPolarHBondContact O-CA 3.22Å; D44-Q54 PolarHBondContact OD1-NE2 3.34Å; K52-Q54 HydrophobicContact CD-CG 4.15Å; K52-Q54 HydrophobicContact CG-CG 4.04Å; Q54-A66 CarbonylContact O-C 3.59Å; Q54-A66 WeakPolarHBondContact O-CA 3.36Å; Q54-A67 PolarHBondContact N-O 3.31Å; Q54-A67 PolarHBondContact O-N 3.07Å
55	K	94	Very high	84.7	Confident	49 Å²	49	61.7 Å²	61.7	21%	0.213	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	127.1	167.2	-175.7	-177.6	177.9	-176.1	0	108.3	V42 S43 L45 F117	V42-K55 HydrophobicContact CB-CB 4.33Å; V42-K55 HydrophobicContact CB-CD 4.22Å; V42-K55 HydrophobicContact CB-CG 4.17Å; V42-K55 WeakPolarHBondContact CB-O 3.4Å; V42-K55 HydrophobicContact CG1-CD 4.11Å; V42-K55 PolarHBondContact N-O 3.45Å; S43-K55 PolarHBondContact N-O 2.98Å; S43-K55 PolarHBondContact O-N 2.99Å; L45-K55 HydrophobicContact CD1-CB 4.02Å; L45-K55 HydrophobicContact CD2-CB 4.05Å; L45-K55 HydrophobicContact CG-CB 3.97Å; K55-F117 HydrophobicContact CB-CE2 4.39Å; K55-F117 HydrophobicContact CD-CE1 4.25Å; K55-F117 HydrophobicContact CD-CE2 4.04Å; K55-F117 HydrophobicContact CD-CZ 3.81Å; K55-F117 HydrophobicContact CG-CD2 4.23Å; K55-F117 HydrophobicContact CG-CE2 4.01Å; K55-F117 HydrophobicContact CG-CZ 4.26Å
56	V	95.5	Very high	85.2	Confident	5 Å²	5	58.2 Å²	58.2	3%	0.03	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	156.2	176.8	-61.1	0	0	0	0	110.9	W39 D40 V41 C64 A65 A67 M114	W39-V56 HydrophobicContact CB-CB 4.25Å; W39-V56 HydrophobicContact CB-CG2 4.46Å; W39-V56 HydrophobicContact CD2-CG2 4.12Å; W39-V56 HydrophobicContact CE3-CB 4.09Å; W39-V56 HydrophobicContact CE3-CG2 3.51Å; W39-V56 HydrophobicContact CZ3-CG2 4.08Å; D40-V56 CarbonylContact O-C 3.44Å; D40-V56 WeakPolarHBondContact O-CA 3.48Å; D40-V56 WeakPolarHBondContact O-CB 3.19Å; V41-V56 HydrophobicContact CG2-CG1 4.22Å; V56-C64 WeakPolarHBondContact O-CA 3.43Å; V56-A65 HydrophobicContact CG2-CB 3.81Å; V56-A65 WeakPolarHBondContact CG2-O 3.4Å; V56-A65 PolarHBondContact N-O 3.08Å; V56-A65 PolarHBondContact O-N 3.4Å; V56-A67 HydrophobicContact CG1-CB 3.67Å; V56-A67 HydrophobicContact CG2-CB 3.99Å; V56-M114 HydrophobicContact CG2-SD 4.05Å
57	I	95	Very high	86	Confident	54 Å²	54	57 Å²	57	28%	0.277	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	131.3	175.6	-68.4	172	0	0	0	109.1	W39 D40 V42 K59 T63	W39-I57 WeakPolarHBondContact CA-O 3.45Å; W39-I57 VanDerWaalsContact CE3-C 3.44Å; D40-I57 PolarHBondContact N-O 2.87Å; D40-I57 PolarHBondContact O-N 3.11Å; V42-I57 HydrophobicContact CG2-CB 4.21Å; V42-I57 HydrophobicContact CG2-CD1 3.46Å; V42-I57 VanDerWaalsContact CG2-CD1 3.46Å; V42-I57 HydrophobicContact CG2-CG1 3.57Å; I57-K59 PolarHBondContact O-N 2.95Å; I57-T63 WeakPolarHBondContact CA-O 3.43Å
58	H	95.3	Very high	87	Confident	24 Å²	24	51.3 Å²	51.3	11%	0.111	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	126.2	176.3	-171.4	-65.7	0	0	0	109.9	I38 W39 E60 N61 G62 T63	I38-H58 WeakPolarHBondContact CG2-NE2 3.44Å; W39-H58 HydrophobicContact CD2-CB 4.18Å; W39-H58 AromaticContact CE2-CD2 3.81Å; W39-H58 HydrophobicContact CE3-CB 3.79Å; W39-H58 HydrophobicContact CH2-CB 3.77Å; W39-H58 HydrophobicContact CZ2-CB 4.15Å; W39-H58 AromaticContact CZ2-CD2 3.62Å; W39-H58 HydrophobicContact CZ3-CB 3.59Å; H58-E60 VanDerWaalsContact C-N 3.33Å; H58-E60 PolarHBondContact ND1-N 2.85Å; H58-E60 VanDerWaalsContact ND1-N 3.14Å; H58-E60 PolarHBondContact O-N 2.88Å; H58-N61 VanDerWaalsContact CB-OD1 3.24Å; H58-N61 WeakPolarHBondContact CB-OD1 3.39Å; H58-N61 PolarHBondContact ND1-N 3.45Å; H58-G62 VanDerWaalsContact O-CA 3.32Å; H58-G62 WeakPolarHBondContact O-CA 3.34Å; H58-G62 PolarHBondContact O-N 3.46Å; H58-T63 PolarHBondContact N-O 3.47Å
59	K	93.8	Very high	88.4	Confident	99 Å²	99	49.6 Å²	49.6	43%	0.43	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-38.6	-173	-71.8	178.1	-177.5	175.2	0	114	H36 D37 I38 D40 I57	H36-K59 WeakPolarHBondContact O-CE 3.42Å; H36-K59 PolarHBondContact O-NZ 3.44Å; D37-K59 WeakPolarHBondContact O-CD 3.47Å; D37-K59 PolarHBondContact O-NZ 3.39Å; D37-K59 VanDerWaalsContact O-NZ 3.09Å; I38-K59 WeakPolarHBondContact O-CB 3.3Å; I38-K59 WeakPolarHBondContact O-CG 3.37Å; I38-K59 PolarHBondContact O-N 3.4Å; D40-K59 WeakPolarHBondContact OD1-CE 3.42Å; D40-K59 IonicContact OD1-NZ 3.37Å; I57-K59 PolarHBondContact O-N 2.95Å
60	E	93.1	Very high	89.4	Confident	180 Å²	180	44.9 Å²	44.9	84%	0.841	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-48.5	-176.9	-54.8	-172.4	152.6	0	0	114.4	H58	H58-E60 VanDerWaalsContact C-N 3.33Å; H58-E60 PolarHBondContact ND1-N 2.85Å; H58-E60 VanDerWaalsContact ND1-N 3.14Å; H58-E60 PolarHBondContact O-N 2.88Å
61	N	93.3	Very high	90	Very high	99 Å²	99	49.2 Å²	49.2	53%	0.529	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	-5.5	-171.5	68.3	32.5	0	0	0	114.1	H58 T63	H58-N61 VanDerWaalsContact CB-OD1 3.24Å; H58-N61 WeakPolarHBondContact CB-OD1 3.39Å; H58-N61 PolarHBondContact ND1-N 3.45Å; N61-T63 PolarHBondContact O-N 3.1Å; N61-T63 WeakPolarHBondContact OD1-CB 3.3Å; N61-T63 PolarHBondContact OD1-N 3.25Å; N61-T63 PolarHBondContact OD1-OG1 2.63Å
62	G	90.8	Very high	90.1	Very high	45 Å²	45	48.3 Å²	48.3	46%	0.464	25%	0.254	S	S	.	.			trans	71.6	7.7	178.4	0	0	0	0	0	115.2	H58 C64	H58-G62 VanDerWaalsContact O-CA 3.32Å; H58-G62 WeakPolarHBondContact O-CA 3.34Å; H58-G62 PolarHBondContact O-N 3.46Å; G62-C64 PolarHBondContact O-N 2.95Å
63	T	94.1	Very high	89.5	Confident	56 Å²	56	53.5 Å²	53.5	34%	0.344	28%	0.279	S	S	.	.			trans	-64.1	132.2	179.3	-57.9	0	0	0	0	109.9	W39 I57 H58 N61 Y100	W39-T63 VanDerWaalsContact CZ3-O 3.31Å; W39-T63 WeakPolarHBondContact CZ3-O 3.29Å; I57-T63 WeakPolarHBondContact CA-O 3.43Å; H58-T63 PolarHBondContact N-O 3.47Å; N61-T63 PolarHBondContact O-N 3.1Å; N61-T63 WeakPolarHBondContact OD1-CB 3.3Å; N61-T63 PolarHBondContact OD1-N 3.25Å; N61-T63 PolarHBondContact OD1-OG1 2.63Å; T63-Y100 HydrophobicContact CG2-CE2 3.98Å
64	C	94	Very high	88.4	Confident	41 Å²	41	53.6 Å²	53.6	28%	0.277	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	138.9	173.1	-67.9	0	0	0	0	110.8	V56 G62 F117	V56-C64 WeakPolarHBondContact O-CA 3.43Å; G62-C64 PolarHBondContact O-N 2.95Å; C64-F117 HydrophobicContact CB-CB 3.94Å; C64-F117 HydrophobicContact CB-CD1 3.85Å; C64-F117 HydrophobicContact CB-CG 4.13Å
65	A	96	Very high	87.2	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	160.1	170.9	0	0	0	0	0	111.3	W39 V56 Y100 M114 L115	W39-A65 HydrophobicContact CE3-CB 4.26Å; W39-A65 HydrophobicContact CH2-CB 3.7Å; W39-A65 HydrophobicContact CZ3-CB 3.48Å; W39-A65 VanDerWaalsContact CZ3-CB 3.48Å; V56-A65 HydrophobicContact CG2-CB 3.81Å; V56-A65 WeakPolarHBondContact CG2-O 3.4Å; V56-A65 PolarHBondContact N-O 3.08Å; V56-A65 PolarHBondContact O-N 3.4Å; A65-Y100 HydrophobicContact CB-CD2 3.88Å; A65-Y100 HydrophobicContact CB-CE2 4.04Å; A65-M114 HydrophobicContact CB-CB 4.44Å; A65-L115 CarbonylContact C-O 3.59Å; A65-L115 VanDerWaalsContact CA-O 3.23Å; A65-L115 WeakPolarHBondContact CA-O 3.27Å; A65-L115 WeakPolarHBondContact CB-O 3.48Å
66	A	95	Very high	85.8	Confident	12 Å²	12	63.2 Å²	63.2	10%	0.099	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	108.1	166	0	0	0	0	0	108.2	L45 V53 Q54 K68 L115	L45-A66 HydrophobicContact CD1-CB 4.04Å; V53-A66 HydrophobicContact CG1-CB 4.24Å; Q54-A66 CarbonylContact O-C 3.59Å; Q54-A66 WeakPolarHBondContact O-CA 3.36Å; A66-K68 PolarHBondContact O-N 3.39Å; A66-L115 HydrophobicContact CB-CB 4.4Å; A66-L115 PolarHBondContact N-O 3.22Å; A66-L115 WeakPolarHBondContact O-CB 3.29Å; A66-L115 PolarHBondContact O-N 3.02Å
67	A	93.5	Very high	84.6	Confident	7 Å²	7	65.3 Å²	65.3	6%	0.058	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	107.9	175.4	0	0	0	0	0	109.5	V53 Q54 V56 I112 L113 M114	V53-A67 CarbonylContact C-O 3.58Å; V53-A67 VanDerWaalsContact CA-O 3.32Å; V53-A67 WeakPolarHBondContact CA-O 3.46Å; Q54-A67 PolarHBondContact N-O 3.31Å; Q54-A67 PolarHBondContact O-N 3.07Å; V56-A67 HydrophobicContact CG1-CB 3.67Å; V56-A67 HydrophobicContact CG2-CB 3.99Å; A67-I112 HydrophobicContact CB-CG2 3.82Å; A67-L113 WeakPolarHBondContact CA-O 3.32Å; A67-M114 HydrophobicContact CB-CE 4.5Å; A67-M114 HydrophobicContact CB-SD 3.87Å
68	K	91	Very high	83.5	Confident	20 Å²	20	63.5 Å²	63.5	9%	0.087	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	107.1	173.6	179.8	179.7	177	-174.5	0	108.3	V53 A66 E84 I112 L113 L115 D180	V53-K68 HydrophobicContact CG2-CB 4.43Å; V53-K68 HydrophobicContact CG2-CG 4.31Å; A66-K68 PolarHBondContact O-N 3.39Å; K68-E84 IonicContact NZ-OE1 3.81Å; K68-E84 PolarHBondContact NZ-OE1 3.33Å; K68-E84 IonicContact NZ-OE2 2.83Å; K68-E84 PolarHBondContact NZ-OE2 3.28Å; K68-I112 WeakPolarHBondContact O-CA 3.45Å; K68-L113 HydrophobicContact CB-CB 4.35Å; K68-L113 PolarHBondContact N-O 3.45Å; K68-L113 PolarHBondContact O-N 3.26Å; K68-L115 HydrophobicContact CB-CD1 4.18Å; K68-L115 HydrophobicContact CD-CD1 4.21Å; K68-D180 IonicContact NZ-OD1 3.15Å; K68-D180 PolarHBondContact NZ-OD1 2.78Å
69	A	86.8	Confident	82.3	Confident	7 Å²	7	67 Å²	67	6%	0.058	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	135.1	174.7	0	0	0	0	0	110.5	G51 K52 Y110	G51-A69 WeakPolarHBondContact CA-O 3.17Å; K52-A69 PolarHBondContact O-N 3.34Å; A69-Y110 HydrophobicContact CB-CE1 4.47Å; A69-Y110 HydrophobicContact CB-CE2 3.99Å; A69-Y110 WeakPolarHBondContact CB-OH 3.5Å
70	I	80	Confident	81.1	Confident	3 Å²	3	69.5 Å²	69.5	2%	0.015	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	115.3	177.5	-55.2	-177.3	0	0	0	107.8	L72 Y81 N111 L113	I70-L72 HydrophobicContact CG2-CD2 3.78Å; I70-Y81 HydrophobicContact CD1-CD1 3.71Å; I70-Y81 HydrophobicContact CD1-CE1 4.03Å; I70-Y81 HydrophobicContact CG2-CD1 3.79Å; I70-Y81 HydrophobicContact CG2-CD2 4.3Å; I70-Y81 HydrophobicContact CG2-CE1 3.41Å; I70-Y81 VanDerWaalsContact CG2-CE1 3.41Å; I70-Y81 HydrophobicContact CG2-CE2 4.01Å; I70-Y81 HydrophobicContact CG2-CG 4.19Å; I70-N111 HydrophobicContact CB-CB 4.47Å; I70-N111 PolarHBondContact N-O 3.2Å; I70-N111 PolarHBondContact O-N 2.91Å; I70-L113 HydrophobicContact CD1-CD1 3.46Å; I70-L113 VanDerWaalsContact CD1-CD1 3.46Å; I70-L113 HydrophobicContact CD1-CD2 4.31Å; I70-L113 HydrophobicContact CD1-CG 4.48Å; I70-L113 HydrophobicContact CG1-CD1 4.27Å
71	E	74.6	Confident	80.3	Confident	152 Å²	152	62.7 Å²	62.7	71%	0.71	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.2	109.4	174.8	-172.1	174.2	-160.4	0	0	109
72	L	71.8	Confident	79.8	Confident	10 Å²	10	58.2 Å²	58.2	5%	0.052	30%	0.304	C	S	.	.			trans	-87.6	144.2	174.4	-40.8	167.4	0	0	0	110	I70 D77 I78 Y81 F109 N111	I70-L72 HydrophobicContact CG2-CD2 3.78Å; L72-D77 HydrophobicContact CB-CB 4.23Å; L72-D77 HydrophobicContact CD2-CB 4.26Å; L72-I78 HydrophobicContact CD1-CB 3.79Å; L72-I78 HydrophobicContact CD1-CD1 4.25Å; L72-I78 HydrophobicContact CD1-CG1 3.9Å; L72-Y81 HydrophobicContact CD2-CD2 3.18Å; L72-Y81 HydrophobicContact CD2-CE2 3.14Å; L72-Y81 HydrophobicContact CD2-CG 4.1Å; L72-F109 HydrophobicContact CB-CB 4Å; L72-F109 WeakPolarHBondContact CG-O 3.36Å; L72-F109 PolarHBondContact N-O 3.05Å; L72-F109 WeakPolarHBondContact O-CB 3.44Å; L72-N111 WeakPolarHBondContact CD1-ND2 3.41Å
73	Q	70	Confident	79.4	Confident	185 Å²	185	58.3 Å²	58.3	86%	0.864	30%	0.296	S	S	*	.	S	Bend	trans	-87.5	-28.6	176.7	-57.7	-174.7	-2.7	0	0	111.5	D77	Q73-D77 WeakPolarHBondContact CA-OD2 3.47Å; Q73-D77 WeakPolarHBondContact CB-OD2 3.47Å; Q73-D77 PolarHBondContact N-OD2 2.88Å
74	S	66.9	Low	79	Confident	37 Å²	37	55.8 Å²	55.8	26%	0.259	28%	0.28	S	S	.	.	S	Bend	trans	-142.7	164.9	-179.4	83.8	0	0	0	0	112.7	E76 D77	S74-E76 PolarHBondContact O-N 3.33Å; S74-E76 PolarHBondContact OG-N 3.17Å; S74-D77 PolarHBondContact N-OD2 3.06Å; S74-D77 PolarHBondContact O-N 2.86Å; S74-D77 VanDerWaalsContact OG-CG 3.22Å; S74-D77 PolarHBondContact OG-N 3.48Å; S74-D77 PolarHBondContact OG-OD1 2.81Å
75	E	66.8	Low	78.7	Confident	128 Å²	128	54.1 Å²	54.1	60%	0.598	27%	0.269	S	S	*	.	S	Bend	trans	-66.1	-24.5	172.2	-162.9	175.7	-179.4	0	0	112	I78 F109	E75-I78 WeakPolarHBondContact O-CG2 3.18Å; E75-F109 HydrophobicContact CB-CE1 3.75Å; E75-F109 HydrophobicContact CB-CZ 4.3Å; E75-F109 HydrophobicContact CG-CE1 4.31Å
76	E	65.5	Low	78.3	Confident	163 Å²	163	56.2 Å²	56.2	76%	0.762	28%	0.279	S	S	*	.	S	Bend	trans	-74	-28.6	179	-63.4	179.8	-176.3	0	0	111.9	S74 I78 D79	S74-E76 PolarHBondContact O-N 3.33Å; S74-E76 PolarHBondContact OG-N 3.17Å; E76-I78 PolarHBondContact O-N 3.15Å; E76-D79 PolarHBondContact O-N 3.01Å
77	D	68.6	Low	78	Confident	49 Å²	49	55.7 Å²	55.7	26%	0.262	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-25.2	-178.8	-56.2	-14.7	0	0	0	112	L72 Q73 S74 D79 E80 Y81	L72-D77 HydrophobicContact CB-CB 4.23Å; L72-D77 HydrophobicContact CD2-CB 4.26Å; Q73-D77 WeakPolarHBondContact CA-OD2 3.47Å; Q73-D77 WeakPolarHBondContact CB-OD2 3.47Å; Q73-D77 PolarHBondContact N-OD2 2.88Å; S74-D77 PolarHBondContact N-OD2 3.06Å; S74-D77 PolarHBondContact O-N 2.86Å; S74-D77 VanDerWaalsContact OG-CG 3.22Å; S74-D77 PolarHBondContact OG-N 3.48Å; S74-D77 PolarHBondContact OG-OD1 2.81Å; D77-D79 PolarHBondContact O-N 3.39Å; D77-E80 PolarHBondContact O-N 3.46Å; D77-Y81 VanDerWaalsContact O-CD2 3.22Å; D77-Y81 WeakPolarHBondContact O-CD2 3.28Å
78	I	73	Confident	77.9	Confident	17 Å²	17	55.6 Å²	55.6	9%	0.087	27%	0.272	C	S	.	.	H	α-helix	trans	-59.9	-31.5	-177.6	-159.4	169.4	0	0	0	112.1	Y26 I29 L72 E75 E76 E80 Y81 L82	Y26-I78 HydrophobicContact CE1-CD1 3.86Å; Y26-I78 WeakPolarHBondContact OH-CG2 3.35Å; I29-I78 HydrophobicContact CD1-CD1 4.3Å; L72-I78 HydrophobicContact CD1-CB 3.79Å; L72-I78 HydrophobicContact CD1-CD1 4.25Å; L72-I78 HydrophobicContact CD1-CG1 3.9Å; E75-I78 WeakPolarHBondContact O-CG2 3.18Å; E76-I78 PolarHBondContact O-N 3.15Å; I78-E80 PolarHBondContact O-N 3.3Å; I78-Y81 PolarHBondContact O-N 3.47Å; I78-L82 HydrophobicContact CG1-CG 4.34Å; I78-L82 HydrophobicContact CG2-CD1 4.47Å; I78-L82 WeakPolarHBondContact O-CG 3.41Å; I78-L82 PolarHBondContact O-N 3.14Å
79	D	70.7	Confident	77.8	Confident	98 Å²	98	56 Å²	56	52%	0.524	28%	0.277	S	S	.	.	H	α-helix	trans	-62.6	-31.8	-177.4	-81.2	-22.2	0	0	0	112.2	E76 D77	E76-D79 PolarHBondContact O-N 3.01Å; D77-D79 PolarHBondContact O-N 3.39Å
80	E	68.5	Low	77.8	Confident	151 Å²	151	60.3 Å²	60.3	71%	0.706	30%	0.296	S	S	*	.	H	α-helix	trans	-68.2	-38.4	175	-60.9	-169.3	172.4	0	0	111.3	D77 I78	D77-E80 PolarHBondContact O-N 3.46Å; I78-E80 PolarHBondContact O-N 3.3Å
81	Y	76.5	Confident	78.4	Confident	37 Å²	37	60.4 Å²	60.4	15%	0.145	30%	0.297	C	S	.	.	H	α-helix	trans	-79.3	-27.6	179.6	-65.8	-80.5	0	0	0	113.8	F50 I70 L72 D77 I78 V83 E84 I85	F50-Y81 HydrophobicContact CB-CE1 4.48Å; F50-Y81 AromaticContact CD1-CE1 3.84Å; F50-Y81 HydrophobicContact CD1-CE1 3.84Å; F50-Y81 AromaticContact CD1-CZ 3.96Å; F50-Y81 VanDerWaalsContact CD1-OH 3.23Å; F50-Y81 WeakPolarHBondContact CD1-OH 3.14Å; F50-Y81 HydrophobicContact CE1-CE1 4.23Å; F50-Y81 HydrophobicContact CG-CE1 4.17Å; I70-Y81 HydrophobicContact CD1-CD1 3.71Å; I70-Y81 HydrophobicContact CD1-CE1 4.03Å; I70-Y81 HydrophobicContact CG2-CD1 3.79Å; I70-Y81 HydrophobicContact CG2-CD2 4.3Å; I70-Y81 HydrophobicContact CG2-CE1 3.41Å; I70-Y81 VanDerWaalsContact CG2-CE1 3.41Å; I70-Y81 HydrophobicContact CG2-CE2 4.01Å; I70-Y81 HydrophobicContact CG2-CG 4.19Å; L72-Y81 HydrophobicContact CD2-CD2 3.18Å; L72-Y81 HydrophobicContact CD2-CE2 3.14Å; L72-Y81 HydrophobicContact CD2-CG 4.1Å; D77-Y81 VanDerWaalsContact O-CD2 3.22Å; D77-Y81 WeakPolarHBondContact O-CD2 3.28Å; I78-Y81 PolarHBondContact O-N 3.47Å; Y81-V83 PolarHBondContact O-N 3.2Å; Y81-V83 VanDerWaalsContact O-N 3.14Å; Y81-E84 WeakPolarHBondContact O-CB 3.39Å; Y81-E84 PolarHBondContact O-N 3.46Å; Y81-I85 PolarHBondContact O-N 2.85Å; Y81-I85 VanDerWaalsContact O-N 3.15Å
82	L	82.5	Confident	79.2	Confident	4 Å²	4	59.1 Å²	59.1	2%	0.021	29%	0.29	C	S	.	.	H	α-helix	trans	-59.4	-26.1	176.2	-73.1	172.4	0	0	0	112.2	A25 Y26 I29 I78 I85 E86	A25-L82 HydrophobicContact CB-CB 4.39Å; A25-L82 HydrophobicContact CB-CD2 4.13Å; Y26-L82 HydrophobicContact CD2-CD1 3.52Å; Y26-L82 HydrophobicContact CD2-CD2 4.15Å; Y26-L82 HydrophobicContact CE2-CD1 3.17Å; Y26-L82 HydrophobicContact CE2-CD2 4.37Å; Y26-L82 HydrophobicContact CE2-CG 4.36Å; Y26-L82 HydrophobicContact CG-CD1 4.41Å; Y26-L82 HydrophobicContact CG-CD2 4.28Å; I29-L82 HydrophobicContact CD1-CD2 3.9Å; I78-L82 HydrophobicContact CG1-CG 4.34Å; I78-L82 HydrophobicContact CG2-CD1 4.47Å; I78-L82 WeakPolarHBondContact O-CG 3.41Å; I78-L82 PolarHBondContact O-N 3.14Å; L82-I85 HydrophobicContact CD2-CD1 4.4Å; L82-E86 VanDerWaalsContact O-CB 3.23Å; L82-E86 WeakPolarHBondContact O-CB 3.34Å; L82-E86 PolarHBondContact O-N 2.81Å
83	V	81.9	Confident	80.4	Confident	48 Å²	48	60.1 Å²	60.1	29%	0.291	29%	0.294	S	S	.	.	H	α-helix	trans	-66.5	-43.4	174	-179.7	0	0	0	0	111.3	Y81 E86 I87	Y81-V83 PolarHBondContact O-N 3.2Å; Y81-V83 VanDerWaalsContact O-N 3.14Å; V83-E86 PolarHBondContact O-N 3.49Å; V83-I87 HydrophobicContact CG1-CD1 3.82Å; V83-I87 HydrophobicContact CG1-CG1 4.48Å; V83-I87 WeakPolarHBondContact O-CB 3.21Å; V83-I87 VanDerWaalsContact O-CG1 3.25Å; V83-I87 WeakPolarHBondContact O-CG1 3.47Å; V83-I87 PolarHBondContact O-N 2.79Å
84	E	86.7	Confident	81.7	Confident	2 Å²	2	55.8 Å²	55.8	1%	0.009	27%	0.273	C	S	.	.	H	α-helix	trans	-61.5	-47.7	175.8	175.8	168.6	-155	0	0	110.3	K68 Y81 E86 I87 L88 L113 F181 G182	K68-E84 IonicContact NZ-OE1 3.81Å; K68-E84 PolarHBondContact NZ-OE1 3.33Å; K68-E84 IonicContact NZ-OE2 2.83Å; K68-E84 PolarHBondContact NZ-OE2 3.28Å; Y81-E84 WeakPolarHBondContact O-CB 3.39Å; Y81-E84 PolarHBondContact O-N 3.46Å; E84-E86 PolarHBondContact O-N 2.9Å; E84-I87 PolarHBondContact O-N 3.4Å; E84-L88 HydrophobicContact CG-CD1 3.77Å; E84-L88 HydrophobicContact CG-CG 4.48Å; E84-L88 WeakPolarHBondContact O-CB 3.14Å; E84-L88 WeakPolarHBondContact O-CG 3.34Å; E84-L88 PolarHBondContact O-N 3.46Å; E84-L113 HydrophobicContact CG-CD2 4.3Å; E84-F181 HydrophobicContact CG-CB 4.01Å; E84-G182 PolarHBondContact OE1-N 2.98Å; E84-G182 VanDerWaalsContact OE2-CA 3.31Å; E84-G182 WeakPolarHBondContact OE2-CA 3.47Å
85	I	87.1	Confident	83.1	Confident	7 Å²	7	54.1 Å²	54.1	4%	0.036	26%	0.261	C	S	.	.	H	α-helix	trans	-59.3	-49	176.8	-64.1	170	0	0	0	110.4	F28 I29 Y81 L82 I87 L88 T89 L99 V102	F28-I85 HydrophobicContact CB-CG2 4.21Å; F28-I85 HydrophobicContact CD2-CG2 4.46Å; I29-I85 HydrophobicContact CD1-CD1 4.12Å; I29-I85 HydrophobicContact CG1-CD1 4.24Å; Y81-I85 PolarHBondContact O-N 2.85Å; Y81-I85 VanDerWaalsContact O-N 3.15Å; L82-I85 HydrophobicContact CD2-CD1 4.4Å; I85-I87 VanDerWaalsContact C-N 3.33Å; I85-I87 PolarHBondContact O-N 2.73Å; I85-L88 PolarHBondContact O-N 2.94Å; I85-T89 WeakPolarHBondContact O-CB 3.36Å; I85-T89 PolarHBondContact O-N 3.39Å; I85-T89 PolarHBondContact O-OG1 3.31Å; I85-L99 HydrophobicContact CG2-CD2 4.21Å; I85-V102 HydrophobicContact CD1-CG1 4.08Å; I85-V102 HydrophobicContact CD1-CG2 4.13Å; I85-V102 HydrophobicContact CG1-CG2 4.09Å; I85-V102 HydrophobicContact CG2-CG2 4.12Å
86	E	87.3	Confident	84.5	Confident	44 Å²	44	48.1 Å²	48.1	21%	0.206	23%	0.233	C	C	.	.	H	α-helix	trans	-60.5	-42.1	-178.9	-168.5	-176.5	172.6	0	0	112.5	A25 L82 V83 E84 Q90 K186	A25-E86 HydrophobicContact CB-CB 3.94Å; A25-E86 HydrophobicContact CB-CG 4.43Å; L82-E86 VanDerWaalsContact O-CB 3.23Å; L82-E86 WeakPolarHBondContact O-CB 3.34Å; L82-E86 PolarHBondContact O-N 2.81Å; V83-E86 PolarHBondContact O-N 3.49Å; E84-E86 PolarHBondContact O-N 2.9Å; E86-Q90 VanDerWaalsContact CG-NE2 3.3Å; E86-Q90 WeakPolarHBondContact O-CB 3.32Å; E86-Q90 WeakPolarHBondContact O-CG 3.49Å; E86-Q90 PolarHBondContact O-N 3.15Å; E86-Q90 PolarHBondContact OE1-NE2 3.38Å; E86-K186 VanDerWaalsContact CD-NZ 3.33Å; E86-K186 HydrophobicContact CG-CD 4.31Å; E86-K186 IonicContact OE1-NZ 2.86Å; E86-K186 PolarHBondContact OE1-NZ 2.85Å
87	I	88.1	Confident	86	Confident	1 Å²	1	40.7 Å²	40.7	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-64.8	-54	177.4	-70.1	167	0	0	0	109.5	V83 E84 I85 T89 Q90 C91 V158 F181 K186	V83-I87 HydrophobicContact CG1-CD1 3.82Å; V83-I87 HydrophobicContact CG1-CG1 4.48Å; V83-I87 WeakPolarHBondContact O-CB 3.21Å; V83-I87 VanDerWaalsContact O-CG1 3.25Å; V83-I87 WeakPolarHBondContact O-CG1 3.47Å; V83-I87 PolarHBondContact O-N 2.79Å; E84-I87 PolarHBondContact O-N 3.4Å; I85-I87 VanDerWaalsContact C-N 3.33Å; I85-I87 PolarHBondContact O-N 2.73Å; I87-T89 VanDerWaalsContact C-N 3.26Å; I87-T89 PolarHBondContact O-N 3.43Å; I87-Q90 PolarHBondContact O-N 3.04Å; I87-Q90 VanDerWaalsContact O-N 3.09Å; I87-C91 HydrophobicContact CG2-CB 4.29Å; I87-C91 WeakPolarHBondContact O-CB 3.48Å; I87-C91 PolarHBondContact O-N 2.99Å; I87-V158 HydrophobicContact CD1-CG1 3.99Å; I87-V158 HydrophobicContact CG1-CG1 4.36Å; I87-V158 HydrophobicContact CG1-CG2 4.16Å; I87-V158 HydrophobicContact CG2-CG1 4Å; I87-V158 HydrophobicContact CG2-CG2 4.31Å; I87-F181 HydrophobicContact CG2-CD1 3.61Å; I87-F181 HydrophobicContact CG2-CE1 4.01Å; I87-F181 HydrophobicContact CG2-CG 4.24Å; I87-K186 HydrophobicContact CD1-CB 4.24Å; I87-K186 HydrophobicContact CG1-CB 4.05Å; I87-K186 HydrophobicContact CG1-CD 4.41Å
88	L	91.2	Very high	87.2	Confident	4 Å²	4	44.2 Å²	44.2	2%	0.021	21%	0.208	C	C	.	.	H	α-helix	trans	-63	-32	-175.9	-71.6	171.6	0	0	0	113.1	E84 I85 V97 L99 L113 L115 F181	E84-L88 HydrophobicContact CG-CD1 3.77Å; E84-L88 HydrophobicContact CG-CG 4.48Å; E84-L88 WeakPolarHBondContact O-CB 3.14Å; E84-L88 WeakPolarHBondContact O-CG 3.34Å; E84-L88 PolarHBondContact O-N 3.46Å; I85-L88 PolarHBondContact O-N 2.94Å; L88-V97 WeakPolarHBondContact CD2-O 3.38Å; L88-L99 HydrophobicContact CB-CB 3.66Å; L88-L99 HydrophobicContact CB-CD2 3.97Å; L88-L99 HydrophobicContact CB-CG 4.47Å; L88-L99 HydrophobicContact CD1-CB 4.31Å; L88-L113 HydrophobicContact CD1-CD2 4.4Å; L88-L115 HydrophobicContact CD1-CD2 3.84Å; L88-F181 HydrophobicContact CD2-CD2 3.51Å; L88-F181 HydrophobicContact CD2-CE2 3.83Å; L88-F181 HydrophobicContact CD2-CG 4.2Å; L88-F181 HydrophobicContact CG-CD2 4.23Å
89	T	89.6	Confident	88.2	Confident	29 Å²	29	44.3 Å²	44.3	18%	0.178	21%	0.209	C	C	.	.	H	α-helix	trans	-75.1	-29.7	175.6	-56.3	0	0	0	0	113.1	F28 I85 I87 H92	F28-T89 HydrophobicContact CD1-CG2 3.77Å; F28-T89 HydrophobicContact CD2-CG2 3.88Å; F28-T89 HydrophobicContact CE1-CG2 3.53Å; F28-T89 HydrophobicContact CE2-CG2 3.67Å; F28-T89 HydrophobicContact CG-CG2 3.96Å; F28-T89 HydrophobicContact CZ-CG2 3.49Å; F28-T89 VanDerWaalsContact CZ-CG2 3.49Å; I85-T89 WeakPolarHBondContact O-CB 3.36Å; I85-T89 PolarHBondContact O-N 3.39Å; I85-T89 PolarHBondContact O-OG1 3.31Å; I87-T89 VanDerWaalsContact C-N 3.26Å; I87-T89 PolarHBondContact O-N 3.43Å; T89-H92 PolarHBondContact O-CE1 3.37Å; T89-H92 PolarHBondContact O-NE2 3.25Å; T89-H92 VanDerWaalsContact O-NE2 3.1Å
90	Q	87.5	Confident	89.3	Confident	98 Å²	98	44.3 Å²	44.3	46%	0.458	20%	0.202	S	C	.	.	H	α-helix	trans	-98.5	-25.3	-176.8	-66	-176.2	30.1	0	0	113.7	E86 I87 H92 K186	E86-Q90 VanDerWaalsContact CG-NE2 3.3Å; E86-Q90 WeakPolarHBondContact O-CB 3.32Å; E86-Q90 WeakPolarHBondContact O-CG 3.49Å; E86-Q90 PolarHBondContact O-N 3.15Å; E86-Q90 PolarHBondContact OE1-NE2 3.38Å; I87-Q90 PolarHBondContact O-N 3.04Å; I87-Q90 VanDerWaalsContact O-N 3.09Å; Q90-H92 PolarHBondContact O-N 2.94Å; Q90-K186 VanDerWaalsContact NE2-NZ 3.12Å
91	C	91	Very high	90.3	Very high	5 Å²	5	38.7 Å²	38.7	3%	0.034	18%	0.176	C	C	.	.			trans	-95.7	70.4	-174.9	-73.4	0	0	0	0	111.6	I87 H93 F152 L153	I87-C91 HydrophobicContact CG2-CB 4.29Å; I87-C91 WeakPolarHBondContact O-CB 3.48Å; I87-C91 PolarHBondContact O-N 2.99Å; C91-H93 PolarHBondContact O-N 3.05Å; C91-F152 HydrophobicContact CB-CE1 3.7Å; C91-F152 HydrophobicContact CB-CZ 4.27Å; C91-L153 HydrophobicContact CB-CD2 4.14Å
92	H	92.5	Very high	91	Very high	125 Å²	125	37 Å²	37	58%	0.579	17%	0.17	S	C	*	.			trans	-81.7	110.1	174.3	-58.8	-44.9	0	0	0	112.1	T89 Q90 F152	T89-H92 PolarHBondContact O-CE1 3.37Å; T89-H92 PolarHBondContact O-NE2 3.25Å; T89-H92 VanDerWaalsContact O-NE2 3.1Å; Q90-H92 PolarHBondContact O-N 2.94Å; H92-F152 WeakPolarHBondContact O-CZ 3.46Å
93	H	97.1	Very high	91.3	Very high	30 Å²	30	36.8 Å²	36.8	14%	0.139	17%	0.169	C	C	.	.			trans	-145.2	154.6	176.8	-173.4	-105	0	0	0	110.9	C91 N95 V96 F152	C91-H93 PolarHBondContact O-N 3.05Å; H93-N95 PolarHBondContact CE1-OD1 3.05Å; H93-N95 PolarHBondContact ND1-N 3.49Å; H93-N95 VanDerWaalsContact ND1-N 3.17Å; H93-N95 PolarHBondContact O-N 3.33Å; H93-V96 HydrophobicContact CB-CB 4.2Å; H93-V96 HydrophobicContact CB-CG2 4.02Å; H93-V96 PolarHBondContact O-N 3.36Å; H93-F152 HydrophobicContact CB-CD1 3.47Å; H93-F152 VanDerWaalsContact CB-CD1 3.47Å; H93-F152 HydrophobicContact CB-CD2 4.38Å; H93-F152 HydrophobicContact CB-CE1 3.57Å; H93-F152 HydrophobicContact CB-CE2 4.47Å; H93-F152 HydrophobicContact CB-CG 3.89Å; H93-F152 HydrophobicContact CB-CZ 4.09Å; H93-F152 AromaticContact CD2-CG 3.79Å; H93-F152 AromaticContact CG-CD1 3.88Å; H93-F152 AromaticContact CG-CG 3.86Å
94	K	96.3	Very high	91.3	Very high	95 Å²	95	35 Å²	35	41%	0.413	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-35	-179.8	57.9	158.8	-173.4	150.2	0	112.6	E145 K177	K94-E145 IonicContact NZ-OE1 3.79Å; K94-E145 PolarHBondContact NZ-OE1 3.43Å; K94-E145 IonicContact NZ-OE2 3.56Å; K94-E145 PolarHBondContact NZ-OE2 2.82Å; K94-K177 PolarHBondContact O-NZ 3.1Å
95	N	97.4	Very high	90.7	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.011	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	17.5	-177.4	-52.8	116.1	0	0	0	114.4	H93 E145 A149 V176 L178	H93-N95 PolarHBondContact CE1-OD1 3.05Å; H93-N95 PolarHBondContact ND1-N 3.49Å; H93-N95 VanDerWaalsContact ND1-N 3.17Å; H93-N95 PolarHBondContact O-N 3.33Å; N95-E145 PolarHBondContact ND2-OE2 3.18Å; N95-E145 PolarHBondContact OD1-O 3.28Å; N95-A149 HydrophobicContact CB-CB 3.71Å; N95-V176 WeakPolarHBondContact CA-O 3.4Å; N95-V176 WeakPolarHBondContact CB-O 3.43Å; N95-V176 PolarHBondContact ND2-O 3.4Å; N95-L178 PolarHBondContact O-N 3.49Å
96	V	96.6	Very high	89.3	Confident	2 Å²	2	46 Å²	46	1%	0.012	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-121.6	131.2	173.5	172.6	0	0	0	0	107.6	H93 R98 F152 L153 F181	H93-V96 HydrophobicContact CB-CB 4.2Å; H93-V96 HydrophobicContact CB-CG2 4.02Å; H93-V96 PolarHBondContact O-N 3.36Å; V96-R98 PolarHBondContact O-N 3.02Å; V96-F152 HydrophobicContact CG2-CD1 4.46Å; V96-L153 HydrophobicContact CG2-CD1 4.42Å; V96-L153 HydrophobicContact CG2-CD2 4.2Å; V96-L153 HydrophobicContact CG2-CG 4.29Å; V96-F181 HydrophobicContact CG1-CE2 3.83Å; V96-F181 HydrophobicContact CG1-CZ 3.62Å; V96-F181 HydrophobicContact CG2-CZ 4.4Å
97	V	95.8	Very high	87.8	Confident	6 Å²	6	54.2 Å²	54.2	4%	0.036	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-56.9	130.3	176.9	171.8	0	0	0	0	109.5	L88 L115 E116 L169 K177 L178	L88-V97 WeakPolarHBondContact CD2-O 3.38Å; V97-L115 HydrophobicContact CG1-CB 4.04Å; V97-L115 HydrophobicContact CG1-CD2 4.41Å; V97-E116 HydrophobicContact CG1-CB 4.17Å; V97-L169 HydrophobicContact CG2-CD1 3.9Å; V97-K177 HydrophobicContact CG2-CB 3.94Å; V97-L178 WeakPolarHBondContact CG2-O 3.32Å; V97-L178 PolarHBondContact N-O 3.49Å
98	R	94.7	Very high	86.2	Confident	124 Å²	124	56.9 Å²	56.9	47%	0.468	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-82.2	141.7	178.4	-60.5	178.6	-177.8	-169	4	111.4	V96 Y100 L115 E116	V96-R98 PolarHBondContact O-N 3.02Å; R98-Y100 HydrophobicContact CB-CE1 4.32Å; R98-L115 CarbonylContact O-C 3.21Å; R98-L115 WeakPolarHBondContact O-CA 3.39Å; R98-E116 HydrophobicContact CB-CB 4.09Å; R98-E116 PolarHBondContact N-OE2 3.46Å; R98-E116 PolarHBondContact O-N 3.14Å
99	L	94	Very high	85	Confident	19 Å²	19	61.3 Å²	61.3	10%	0.099	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	120.2	163.9	175.3	65.8	0	0	0	108.5	I85 L88 E101 V102 L113 L115	I85-L99 HydrophobicContact CG2-CD2 4.21Å; L88-L99 HydrophobicContact CB-CB 3.66Å; L88-L99 HydrophobicContact CB-CD2 3.97Å; L88-L99 HydrophobicContact CB-CG 4.47Å; L88-L99 HydrophobicContact CD1-CB 4.31Å; L99-E101 WeakPolarHBondContact CD1-O 3.47Å; L99-V102 HydrophobicContact CD1-CG2 3.99Å; L99-V102 HydrophobicContact CD2-CG2 3.79Å; L99-V102 HydrophobicContact CG-CG2 4.29Å; L99-L113 HydrophobicContact CD1-CB 4.02Å; L99-L113 HydrophobicContact CD1-CD2 4.47Å; L99-L113 HydrophobicContact CD1-CG 4.02Å; L99-L115 HydrophobicContact CB-CD2 4.23Å; L99-L115 HydrophobicContact CD1-CD2 3.82Å
100	Y	93	Very high	84.3	Confident	98 Å²	98	64 Å²	64	38%	0.384	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	-52	176	-63.1	-31.8	0	0	0	111.1	W39 T63 A65 R98 M114 E116	W39-Y100 HydrophobicContact CH2-CD2 4.39Å; T63-Y100 HydrophobicContact CG2-CE2 3.98Å; A65-Y100 HydrophobicContact CB-CD2 3.88Å; A65-Y100 HydrophobicContact CB-CE2 4.04Å; R98-Y100 HydrophobicContact CB-CE1 4.32Å; Y100-M114 WeakPolarHBondContact CB-O 3.49Å; Y100-M114 PolarHBondContact N-O 2.96Å; Y100-E116 HydrophobicContact CE1-CB 4.47Å
101	E	90.5	Very high	84	Confident	33 Å²	33	59.9 Å²	59.9	15%	0.154	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	163.2	-179.8	59.5	-173.4	141.3	0	0	111.6	Q30 W39 L99 L103 M114	Q30-E101 PolarHBondContact NE2-OE2 3.11Å; W39-E101 VanDerWaalsContact CE2-OE1 3.28Å; W39-E101 WeakPolarHBondContact CZ2-OE1 3.42Å; W39-E101 PolarHBondContact NE1-OE1 2.99Å; L99-E101 WeakPolarHBondContact CD1-O 3.47Å; E101-L103 HydrophobicContact CG-CD2 4.33Å; E101-L103 HydrophobicContact CG-CG 4.28Å; E101-L103 WeakPolarHBondContact OE2-CD2 3.25Å; E101-M114 HydrophobicContact CG-CB 3.71Å; E101-M114 HydrophobicContact CG-CG 3.58Å; E101-M114 WeakPolarHBondContact O-CB 3.4Å; E101-M114 PolarHBondContact O-N 3.42Å
102	V	91.1	Very high	84	Confident	1 Å²	1	60.5 Å²	60.5	1%	0.006	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	121.2	173	-173.1	0	0	0	0	108.1	I29 Q30 I85 L99 I112 L113	I29-V102 HydrophobicContact CG1-CB 4.31Å; I29-V102 HydrophobicContact CG1-CG1 4.01Å; I29-V102 HydrophobicContact CG2-CG1 4.3Å; Q30-V102 PolarHBondContact N-O 2.85Å; I85-V102 HydrophobicContact CD1-CG1 4.08Å; I85-V102 HydrophobicContact CD1-CG2 4.13Å; I85-V102 HydrophobicContact CG1-CG2 4.09Å; I85-V102 HydrophobicContact CG2-CG2 4.12Å; L99-V102 HydrophobicContact CD1-CG2 3.99Å; L99-V102 HydrophobicContact CD2-CG2 3.79Å; L99-V102 HydrophobicContact CG-CG2 4.29Å; V102-I112 WeakPolarHBondContact CA-O 3.45Å; V102-L113 HydrophobicContact CG1-CD1 4.17Å; V102-L113 HydrophobicContact CG2-CG 4.36Å
103	L	88.9	Confident	83.9	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	140.1	-178	-58.2	-177.9	0	0	0	110.3	Q30 V33 P35 E101 I112 M114	Q30-L103 HydrophobicContact CB-CD2 3.86Å; Q30-L103 HydrophobicContact CG-CD2 4.29Å; V33-L103 HydrophobicContact CB-CD2 4.43Å; V33-L103 HydrophobicContact CG1-CD2 4.29Å; P35-L103 HydrophobicContact CB-CD1 3.92Å; P35-L103 HydrophobicContact CG-CB 3.99Å; P35-L103 HydrophobicContact CG-CD1 4.09Å; E101-L103 HydrophobicContact CG-CD2 4.33Å; E101-L103 HydrophobicContact CG-CG 4.28Å; E101-L103 WeakPolarHBondContact OE2-CD2 3.25Å; L103-I112 PolarHBondContact N-O 3.45Å; L103-I112 PolarHBondContact O-N 3.12Å; L103-M114 HydrophobicContact CD1-CE 3.61Å; L103-M114 HydrophobicContact CG-CE 4.4Å
104	T	81.1	Confident	83.7	Confident	11 Å²	11	53.2 Å²	53.2	7%	0.067	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	136.4	171.4	-177.1	0	0	0	0	111.6	I29 Q30 F31 G32 V33 Y110	I29-T104 HydrophobicContact CG2-CG2 3.62Å; Q30-T104 WeakPolarHBondContact O-CG2 3.45Å; Q30-T104 PolarHBondContact O-N 3.18Å; F31-T104 HydrophobicContact CB-CG2 4.17Å; F31-T104 HydrophobicContact CD1-CG2 3.28Å; F31-T104 HydrophobicContact CE1-CG2 3.76Å; F31-T104 HydrophobicContact CG-CG2 3.85Å; G32-T104 PolarHBondContact N-O 3.16Å; V33-T104 PolarHBondContact N-O 2.72Å; T104-Y110 PolarHBondContact OG1-O 3.4Å
105	Y	73.5	Confident	83.6	Confident	114 Å²	114	49.8 Å²	49.8	45%	0.447	22%	0.22	S	C	.	.			trans	-92.5	142.1	-178.5	-177.2	-104.6	0	0	0	111.5	D34 F107 S108	D34-Y105 HydrophobicContact CB-CD2 4.05Å; D34-Y105 HydrophobicContact CB-CE2 4.11Å; Y105-F107 PolarHBondContact O-N 3.29Å; Y105-S108 PolarHBondContact O-N 3.47Å
106	F	57.6	Low	83.5	Confident	126 Å²	126	50.9 Å²	50.9	55%	0.553	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-36.4	130.2	-176.5	-82.9	-83.2	0	0	0	115.1	G32 S108	G32-F106 WeakPolarHBondContact O-CE2 3.46Å; F106-S108 PolarHBondContact O-N 3.47Å
107	F	55.9	Low	83.5	Confident	215 Å²	215	52.8 Å²	52.8	94%	0.943	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.9	2.6	173.6	-65	-78.1	0	0	0	116.8	Y105	Y105-F107 PolarHBondContact O-N 3.29Å
108	S	55.2	Low	83.5	Confident	57 Å²	57	53 Å²	53	40%	0.399	24%	0.236	S	C	.	.			trans	-102.4	138.6	177.8	-171.8	0	0	0	0	110.1	Y105 F106 Y110	Y105-S108 PolarHBondContact O-N 3.47Å; F106-S108 PolarHBondContact O-N 3.47Å; S108-Y110 PolarHBondContact O-N 3.38Å; S108-Y110 VanDerWaalsContact OG-CB 3.29Å; S108-Y110 WeakPolarHBondContact OG-CB 3.3Å; S108-Y110 PolarHBondContact OG-N 2.82Å
109	F	66.6	Low	83.3	Confident	98 Å²	98	48.1 Å²	48.1	43%	0.43	22%	0.223	S	C	.	.			trans	-72.1	24.6	169.9	-69.8	-65.6	0	0	0	112.9	L72 E75 N111	L72-F109 HydrophobicContact CB-CB 4Å; L72-F109 WeakPolarHBondContact CG-O 3.36Å; L72-F109 PolarHBondContact N-O 3.05Å; L72-F109 WeakPolarHBondContact O-CB 3.44Å; E75-F109 HydrophobicContact CB-CE1 3.75Å; E75-F109 HydrophobicContact CB-CZ 4.3Å; E75-F109 HydrophobicContact CG-CE1 4.31Å; F109-N111 PolarHBondContact O-ND2 3.02Å
110	Y	74.1	Confident	83.2	Confident	85 Å²	85	47.4 Å²	47.4	33%	0.333	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	113.2	-175.2	-168.2	-101.6	0	0	0	109.5	A69 T104 S108 I112	A69-Y110 HydrophobicContact CB-CE1 4.47Å; A69-Y110 HydrophobicContact CB-CE2 3.99Å; A69-Y110 WeakPolarHBondContact CB-OH 3.5Å; T104-Y110 PolarHBondContact OG1-O 3.4Å; S108-Y110 PolarHBondContact O-N 3.38Å; S108-Y110 VanDerWaalsContact OG-CB 3.29Å; S108-Y110 WeakPolarHBondContact OG-CB 3.3Å; S108-Y110 PolarHBondContact OG-N 2.82Å; Y110-I112 HydrophobicContact CD1-CD1 4.39Å; Y110-I112 HydrophobicContact CD1-CG1 4.11Å; Y110-I112 HydrophobicContact CE1-CD1 3.72Å; Y110-I112 HydrophobicContact CE1-CG1 3.74Å
111	N	82.2	Confident	83.2	Confident	12 Å²	12	44.1 Å²	44.1	6%	0.064	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	141.6	-179.8	-63.7	-87.7	0	0	0	109.2	I70 L72 F109	I70-N111 HydrophobicContact CB-CB 4.47Å; I70-N111 PolarHBondContact N-O 3.2Å; I70-N111 PolarHBondContact O-N 2.91Å; L72-N111 WeakPolarHBondContact CD1-ND2 3.41Å; F109-N111 PolarHBondContact O-ND2 3.02Å
112	I	89.2	Confident	83.4	Confident	17 Å²	17	43.2 Å²	43.2	9%	0.087	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	123	175.3	-51.6	-169.9	0	0	0	109.3	P35 A67 K68 V102 L103 Y110 M114	P35-I112 HydrophobicContact CB-CD1 3.88Å; P35-I112 HydrophobicContact CG-CD1 3.54Å; P35-I112 HydrophobicContact CG-CG1 4.27Å; A67-I112 HydrophobicContact CB-CG2 3.82Å; K68-I112 WeakPolarHBondContact O-CA 3.45Å; V102-I112 WeakPolarHBondContact CA-O 3.45Å; L103-I112 PolarHBondContact N-O 3.45Å; L103-I112 PolarHBondContact O-N 3.12Å; Y110-I112 HydrophobicContact CD1-CD1 4.39Å; Y110-I112 HydrophobicContact CD1-CG1 4.11Å; Y110-I112 HydrophobicContact CE1-CD1 3.72Å; Y110-I112 HydrophobicContact CE1-CG1 3.74Å; I112-M114 HydrophobicContact CB-CE 4.45Å; I112-M114 HydrophobicContact CG2-CE 3.75Å; I112-M114 HydrophobicContact CG2-SD 4.01Å
113	L	90.8	Very high	83.6	Confident	1 Å²	1	43.2 Å²	43.2	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	121.4	169.5	-81.7	62.1	0	0	0	108.7	A67 K68 I70 E84 L88 L99 V102 L115	A67-L113 WeakPolarHBondContact CA-O 3.32Å; K68-L113 HydrophobicContact CB-CB 4.35Å; K68-L113 PolarHBondContact N-O 3.45Å; K68-L113 PolarHBondContact O-N 3.26Å; I70-L113 HydrophobicContact CD1-CD1 3.46Å; I70-L113 VanDerWaalsContact CD1-CD1 3.46Å; I70-L113 HydrophobicContact CD1-CD2 4.31Å; I70-L113 HydrophobicContact CD1-CG 4.48Å; I70-L113 HydrophobicContact CG1-CD1 4.27Å; E84-L113 HydrophobicContact CG-CD2 4.3Å; L88-L113 HydrophobicContact CD1-CD2 4.4Å; L99-L113 HydrophobicContact CD1-CB 4.02Å; L99-L113 HydrophobicContact CD1-CD2 4.47Å; L99-L113 HydrophobicContact CD1-CG 4.02Å; V102-L113 HydrophobicContact CG1-CD1 4.17Å; V102-L113 HydrophobicContact CG2-CG 4.36Å; L113-L115 HydrophobicContact CB-CD2 4.31Å; L113-L115 HydrophobicContact CB-CG 4.17Å; L113-L115 PolarHBondContact O-N 2.88Å
114	M	93.6	Very high	83.8	Confident	2 Å²	2	45.9 Å²	45.9	1%	0.01	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	96.9	171.4	-60.3	-57.1	-179.2	0	0	108.8	P35 W39 V56 A65 A67 Y100 E101 L103 I112	P35-M114 HydrophobicContact CB-CE 4.03Å; W39-M114 HydrophobicContact CB-CE 4.46Å; W39-M114 HydrophobicContact CD2-CE 4.45Å; W39-M114 HydrophobicContact CD2-SD 4.38Å; W39-M114 HydrophobicContact CG-CE 3.97Å; W39-M114 HydrophobicContact CG-SD 4.48Å; W39-M114 HydrophobicContact CZ2-CG 4.41Å; V56-M114 HydrophobicContact CG2-SD 4.05Å; A65-M114 HydrophobicContact CB-CB 4.44Å; A67-M114 HydrophobicContact CB-CE 4.5Å; A67-M114 HydrophobicContact CB-SD 3.87Å; Y100-M114 WeakPolarHBondContact CB-O 3.49Å; Y100-M114 PolarHBondContact N-O 2.96Å; E101-M114 HydrophobicContact CG-CB 3.71Å; E101-M114 HydrophobicContact CG-CG 3.58Å; E101-M114 WeakPolarHBondContact O-CB 3.4Å; E101-M114 PolarHBondContact O-N 3.42Å; L103-M114 HydrophobicContact CD1-CE 3.61Å; L103-M114 HydrophobicContact CG-CE 4.4Å; I112-M114 HydrophobicContact CB-CE 4.45Å; I112-M114 HydrophobicContact CG2-CE 3.75Å; I112-M114 HydrophobicContact CG2-SD 4.01Å
115	L	94.7	Very high	84.3	Confident	23 Å²	23	48.6 Å²	48.6	12%	0.12	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	156.4	-177.5	-60.2	173	0	0	0	111.7	A65 A66 K68 L88 V97 R98 L99 L113 F117	A65-L115 CarbonylContact C-O 3.59Å; A65-L115 VanDerWaalsContact CA-O 3.23Å; A65-L115 WeakPolarHBondContact CA-O 3.27Å; A65-L115 WeakPolarHBondContact CB-O 3.48Å; A66-L115 HydrophobicContact CB-CB 4.4Å; A66-L115 PolarHBondContact N-O 3.22Å; A66-L115 WeakPolarHBondContact O-CB 3.29Å; A66-L115 PolarHBondContact O-N 3.02Å; K68-L115 HydrophobicContact CB-CD1 4.18Å; K68-L115 HydrophobicContact CD-CD1 4.21Å; L88-L115 HydrophobicContact CD1-CD2 3.84Å; V97-L115 HydrophobicContact CG1-CB 4.04Å; V97-L115 HydrophobicContact CG1-CD2 4.41Å; R98-L115 CarbonylContact O-C 3.21Å; R98-L115 WeakPolarHBondContact O-CA 3.39Å; L99-L115 HydrophobicContact CB-CD2 4.23Å; L99-L115 HydrophobicContact CD1-CD2 3.82Å; L113-L115 HydrophobicContact CB-CD2 4.31Å; L113-L115 HydrophobicContact CB-CG 4.17Å; L113-L115 PolarHBondContact O-N 2.88Å; L115-F117 PolarHBondContact O-N 2.91Å
116	E	95.3	Very high	85.2	Confident	25 Å²	25	43.3 Å²	43.3	12%	0.117	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.9	124.9	171.7	176.8	175.2	-152.8	0	0	111.3	V97 R98 Y100 C118 K177	V97-E116 HydrophobicContact CG1-CB 4.17Å; R98-E116 HydrophobicContact CB-CB 4.09Å; R98-E116 PolarHBondContact N-OE2 3.46Å; R98-E116 PolarHBondContact O-N 3.14Å; Y100-E116 HydrophobicContact CE1-CB 4.47Å; E116-C118 PolarHBondContact O-N 2.86Å; E116-K177 WeakPolarHBondContact OE1-CE 3.39Å; E116-K177 IonicContact OE1-NZ 3.34Å; E116-K177 PolarHBondContact OE1-NZ 3.45Å; E116-K177 WeakPolarHBondContact OE2-CD 3.43Å; E116-K177 WeakPolarHBondContact OE2-CE 3.28Å; E116-K177 IonicContact OE2-NZ 3.87Å; E116-K177 PolarHBondContact OE2-NZ 3.24Å
117	F	95.8	Very high	86.8	Confident	42 Å²	42	37.5 Å²	37.5	18%	0.184	20%	0.203	C	C	.	.			trans	-77.7	112.5	180	177.8	-112.5	0	0	0	111.5	L45 K55 C64 L115 G119	L45-F117 HydrophobicContact CD1-CD2 4Å; L45-F117 HydrophobicContact CD1-CE2 3.81Å; L45-F117 HydrophobicContact CD2-CE2 3.9Å; K55-F117 HydrophobicContact CB-CE2 4.39Å; K55-F117 HydrophobicContact CD-CE1 4.25Å; K55-F117 HydrophobicContact CD-CE2 4.04Å; K55-F117 HydrophobicContact CD-CZ 3.81Å; K55-F117 HydrophobicContact CG-CD2 4.23Å; K55-F117 HydrophobicContact CG-CE2 4.01Å; K55-F117 HydrophobicContact CG-CZ 4.26Å; C64-F117 HydrophobicContact CB-CB 3.94Å; C64-F117 HydrophobicContact CB-CD1 3.85Å; C64-F117 HydrophobicContact CB-CG 4.13Å; L115-F117 PolarHBondContact O-N 2.91Å; F117-G119 PolarHBondContact O-N 3.49Å
118	C	95.4	Very high	88.3	Confident	11 Å²	11	30.5 Å²	30.5	7%	0.074	18%	0.177	C	C	.	.			trans	-95.3	90.7	176.1	-60.4	0	0	0	0	110.3	E116 G120 G121 L169 L170	E116-C118 PolarHBondContact O-N 2.86Å; C118-G120 VanDerWaalsContact C-N 3.26Å; C118-G120 PolarHBondContact O-N 2.94Å; C118-G121 PolarHBondContact O-N 3.39Å; C118-L169 HydrophobicContact CB-CB 3.56Å; C118-L169 HydrophobicContact CB-CD1 4.06Å; C118-L169 HydrophobicContact CB-CG 4.42Å; C118-L170 CarbonylContact C-O 3.38Å; C118-L170 VanDerWaalsContact C-O 3.22Å; C118-L170 WeakPolarHBondContact CB-O 3.49Å
119	G	90.5	Very high	89.7	Confident	20 Å²	20	33.8 Å²	33.8	21%	0.206	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-21.8	-169.6	0	0	0	0	0	116.5	F117 G121 F172	F117-G119 PolarHBondContact O-N 3.49Å; G119-G121 PolarHBondContact O-N 3.21Å; G119-F172 VanDerWaalsContact C-CZ 3.42Å; G119-F172 WeakPolarHBondContact O-CE1 3.28Å; G119-F172 WeakPolarHBondContact O-CZ 3.49Å
120	G	91.8	Very high	90.6	Very high	5 Å²	5	29.7 Å²	29.7	5%	0.052	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-16.2	172.8	0	0	0	0	0	113.7	C118 I126 L170	C118-G120 VanDerWaalsContact C-N 3.26Å; C118-G120 PolarHBondContact O-N 2.94Å; G120-I126 WeakPolarHBondContact O-CD1 3.34Å; G120-L170 WeakPolarHBondContact CA-O 3.13Å; G120-L170 PolarHBondContact N-O 3.26Å
121	G	93.1	Very high	91	Very high	28 Å²	28	28.8 Å²	28.8	29%	0.289	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	75.6	-171.3	-179.9	0	0	0	0	0	113.6	C118 G119 L169 L170	C118-G121 PolarHBondContact O-N 3.39Å; G119-G121 PolarHBondContact O-N 3.21Å; G121-L169 WeakPolarHBondContact O-CA 3.11Å; G121-L170 PolarHBondContact N-O 2.91Å; G121-L170 PolarHBondContact O-N 3.14Å
122	A	94.4	Very high	91.2	Very high	15 Å²	15	29.8 Å²	29.8	12%	0.124	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	142.6	179.5	0	0	0	0	0	112	D124 S125 I126 G166 I168 L169	A122-D124 VanDerWaalsContact C-N 3.31Å; A122-D124 WeakPolarHBondContact CB-OD1 3.33Å; A122-D124 PolarHBondContact O-N 3.14Å; A122-S125 WeakPolarHBondContact O-CB 2.93Å; A122-S125 PolarHBondContact O-N 3.19Å; A122-S125 VanDerWaalsContact O-N 3.13Å; A122-I126 WeakPolarHBondContact O-CG1 3.26Å; A122-I126 PolarHBondContact O-N 3.13Å; A122-I126 VanDerWaalsContact O-N 3.16Å; A122-G166 WeakPolarHBondContact CB-O 3.41Å; A122-I168 CarbonylContact C-O 3.49Å; A122-I168 WeakPolarHBondContact CA-O 3.41Å; A122-L169 HydrophobicContact CB-CD2 3.84Å
123	V	96.4	Very high	91.2	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-64	-34.4	-174.1	176.5	0	0	0	0	112.5	S125 I126 M127 L134 A165 I168 L170 L235	V123-S125 VanDerWaalsContact C-N 3.31Å; V123-S125 PolarHBondContact O-N 3.4Å; V123-I126 WeakPolarHBondContact O-CB 3.08Å; V123-I126 PolarHBondContact O-N 3.07Å; V123-M127 WeakPolarHBondContact O-CG 3.34Å; V123-M127 PolarHBondContact O-N 2.74Å; V123-L134 HydrophobicContact CG1-CD1 3.83Å; V123-L134 HydrophobicContact CG1-CD2 3.85Å; V123-A165 PolarHBondContact N-O 2.88Å; V123-I168 HydrophobicContact CB-CB 4.4Å; V123-I168 HydrophobicContact CG2-CB 3.93Å; V123-I168 HydrophobicContact CG2-CG2 3.66Å; V123-I168 WeakPolarHBondContact CG2-O 3.44Å; V123-I168 PolarHBondContact N-O 2.89Å; V123-L170 HydrophobicContact CG2-CD1 4.15Å; V123-L170 HydrophobicContact CG2-CD2 4.24Å; V123-L170 HydrophobicContact CG2-CG 3.96Å; V123-L235 HydrophobicContact CB-CD2 4.31Å; V123-L235 HydrophobicContact CG1-CD2 3.4Å
124	D	93.6	Very high	91.3	Very high	56 Å²	56	31.4 Å²	31.4	30%	0.299	18%	0.183	S	C	.	.	H	α-helix	trans	-60.1	-41.9	174.4	67.9	-19.2	0	0	0	112.4	A122 I126 M127 V128 A165 G166	A122-D124 VanDerWaalsContact C-N 3.31Å; A122-D124 WeakPolarHBondContact CB-OD1 3.33Å; A122-D124 PolarHBondContact O-N 3.14Å; D124-I126 VanDerWaalsContact C-N 3.32Å; D124-I126 PolarHBondContact O-N 2.87Å; D124-M127 HydrophobicContact CB-CE 4.45Å; D124-M127 WeakPolarHBondContact O-CB 3.35Å; D124-M127 PolarHBondContact O-N 2.93Å; D124-V128 WeakPolarHBondContact O-CG2 3.37Å; D124-V128 PolarHBondContact O-N 3.49Å; D124-A165 HydrophobicContact CB-CB 3.99Å; D124-G166 WeakPolarHBondContact OD1-CA 3.5Å; D124-G166 WeakPolarHBondContact OD2-CA 3.18Å
125	S	90.5	Very high	91.2	Very high	69 Å²	69	33.8 Å²	33.8	48%	0.483	20%	0.199	S	C	.	.	H	α-helix	trans	-66	-38.3	179.3	-59.6	0	0	0	0	110.3	A122 V123 V128 E129	A122-S125 WeakPolarHBondContact O-CB 2.93Å; A122-S125 PolarHBondContact O-N 3.19Å; A122-S125 VanDerWaalsContact O-N 3.13Å; V123-S125 VanDerWaalsContact C-N 3.31Å; V123-S125 PolarHBondContact O-N 3.4Å; S125-V128 PolarHBondContact O-N 2.86Å; S125-E129 WeakPolarHBondContact O-CB 3.3Å; S125-E129 PolarHBondContact O-N 3.46Å
126	I	92.2	Very high	90.9	Very high	3 Å²	3	34.3 Å²	34.3	2%	0.015	20%	0.202	C	C	.	.	H	α-helix	trans	-63.7	-45.5	172.9	-59.9	174.5	0	0	0	111	G120 A122 V123 D124 V128 E129 L130 L170 L310 L311 L314	G120-I126 WeakPolarHBondContact O-CD1 3.34Å; A122-I126 WeakPolarHBondContact O-CG1 3.26Å; A122-I126 PolarHBondContact O-N 3.13Å; A122-I126 VanDerWaalsContact O-N 3.16Å; V123-I126 WeakPolarHBondContact O-CB 3.08Å; V123-I126 PolarHBondContact O-N 3.07Å; D124-I126 VanDerWaalsContact C-N 3.32Å; D124-I126 PolarHBondContact O-N 2.87Å; I126-V128 VanDerWaalsContact C-N 3.3Å; I126-V128 PolarHBondContact O-N 3.2Å; I126-E129 PolarHBondContact O-N 2.75Å; I126-L130 HydrophobicContact CG2-CD1 3.8Å; I126-L130 HydrophobicContact CG2-CG 4.31Å; I126-L130 WeakPolarHBondContact O-CB 3.45Å; I126-L130 WeakPolarHBondContact O-CG 3.41Å; I126-L130 PolarHBondContact O-N 3.24Å; I126-L170 HydrophobicContact CD1-CD1 3.58Å; I126-L170 HydrophobicContact CD1-CG 4.32Å; I126-L310 HydrophobicContact CG2-CD1 4.11Å; I126-L310 HydrophobicContact CG2-CD2 4.1Å; I126-L310 HydrophobicContact CG2-CG 4Å; I126-L311 HydrophobicContact CD1-CD2 4.38Å; I126-L314 HydrophobicContact CD1-CD2 4.36Å; I126-L314 HydrophobicContact CG1-CD2 3.92Å; I126-L314 HydrophobicContact CG2-CD1 4.4Å; I126-L314 HydrophobicContact CG2-CD2 4.49Å
127	M	92.4	Very high	90.8	Very high	4 Å²	4	35.9 Å²	35.9	2%	0.02	21%	0.214	C	C	.	.	H	α-helix	trans	-61	-40.8	177.3	-71.8	-167.8	-65.4	0	0	111.8	V123 D124 E131 K132 L134 A165 E234 L235 M238	V123-M127 WeakPolarHBondContact O-CG 3.34Å; V123-M127 PolarHBondContact O-N 2.74Å; D124-M127 HydrophobicContact CB-CE 4.45Å; D124-M127 WeakPolarHBondContact O-CB 3.35Å; D124-M127 PolarHBondContact O-N 2.93Å; M127-E131 VanDerWaalsContact O-CA 3.3Å; M127-E131 WeakPolarHBondContact O-CA 3.37Å; M127-E131 PolarHBondContact O-N 2.95Å; M127-K132 WeakPolarHBondContact CA-O 3.35Å; M127-K132 PolarHBondContact O-N 2.87Å; M127-K132 VanDerWaalsContact O-N 3.13Å; M127-L134 HydrophobicContact CG-CD1 3.37Å; M127-L134 HydrophobicContact SD-CD1 3.82Å; M127-A165 HydrophobicContact CE-CB 4.11Å; M127-E234 HydrophobicContact CE-CG 4.44Å; M127-L235 HydrophobicContact CE-CD2 4.07Å; M127-L235 HydrophobicContact SD-CD2 4.32Å; M127-M238 HydrophobicContact CB-CE 4.23Å; M127-M238 VanDerWaalsContact O-CE 3.32Å; M127-M238 WeakPolarHBondContact O-CE 3.42Å
128	V	86.2	Confident	90.7	Very high	68 Å²	68	34.5 Å²	34.5	41%	0.412	21%	0.208	S	C	.	.	H	α-helix	trans	-66	-47	176.9	171.1	0	0	0	0	111.3	D124 S125 I126 E131	D124-V128 WeakPolarHBondContact O-CG2 3.37Å; D124-V128 PolarHBondContact O-N 3.49Å; S125-V128 PolarHBondContact O-N 2.86Å; I126-V128 VanDerWaalsContact C-N 3.3Å; I126-V128 PolarHBondContact O-N 3.2Å; V128-E131 PolarHBondContact O-N 2.97Å
129	E	84.6	Confident	90.7	Very high	126 Å²	126	34 Å²	34	59%	0.589	20%	0.204	S	C	*	.	H	α-helix	trans	-65.6	-44.2	-178.7	-170.3	62.2	-149.8	0	0	111.5	S125 I126 E131 L314	S125-E129 WeakPolarHBondContact O-CB 3.3Å; S125-E129 PolarHBondContact O-N 3.46Å; I126-E129 PolarHBondContact O-N 2.75Å; E129-E131 VanDerWaalsContact C-N 3.25Å; E129-E131 PolarHBondContact O-N 3.1Å; E129-L314 HydrophobicContact CB-CD1 3.94Å; E129-L314 HydrophobicContact CG-CD1 3.76Å
130	L	85.7	Confident	90.8	Very high	12 Å²	12	35.6 Å²	35.6	6%	0.063	20%	0.204	C	C	.	.	H	α-helix	trans	-77.2	-11.8	176.9	-64.5	-178.9	0	0	0	113.1	I126 K132 L310 E313 L314 R477	I126-L130 HydrophobicContact CG2-CD1 3.8Å; I126-L130 HydrophobicContact CG2-CG 4.31Å; I126-L130 WeakPolarHBondContact O-CB 3.45Å; I126-L130 WeakPolarHBondContact O-CG 3.41Å; I126-L130 PolarHBondContact O-N 3.24Å; L130-K132 VanDerWaalsContact C-N 3.29Å; L130-K132 HydrophobicContact CB-CG 3.98Å; L130-K132 PolarHBondContact O-N 3.42Å; L130-L310 HydrophobicContact CD1-CD1 3.52Å; L130-L310 HydrophobicContact CD1-CG 4.46Å; L130-E313 HydrophobicContact CD1-CG 4.43Å; L130-E313 HydrophobicContact CD2-CG 4Å; L130-L314 HydrophobicContact CD2-CD1 4.27Å; L130-L314 HydrophobicContact CG-CD1 4.2Å; L130-R477 PolarHBondContact O-NH1 3.2Å
131	E	83.5	Confident	91	Very high	65 Å²	65	35.9 Å²	35.9	30%	0.304	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	36.8	-174.5	-54.9	-170.1	156.4	0	0	114.1	M127 V128 E129 K475 R477	M127-E131 VanDerWaalsContact O-CA 3.3Å; M127-E131 WeakPolarHBondContact O-CA 3.37Å; M127-E131 PolarHBondContact O-N 2.95Å; V128-E131 PolarHBondContact O-N 2.97Å; E129-E131 VanDerWaalsContact C-N 3.25Å; E129-E131 PolarHBondContact O-N 3.1Å; E131-K475 IonicContact OE2-NZ 3.5Å; E131-K475 PolarHBondContact OE2-NZ 3.04Å; E131-R477 IonicContact OE2-NH2 3.73Å
132	K	85.5	Confident	91.2	Very high	33 Å²	33	34.6 Å²	34.6	14%	0.143	19%	0.19	C	C	.	.	S	Bend	trans	-151	153.6	-179.5	68.7	179.6	-170.4	178.1	0	112.6	M127 L130 E313 T490	M127-K132 WeakPolarHBondContact CA-O 3.35Å; M127-K132 PolarHBondContact O-N 2.87Å; M127-K132 VanDerWaalsContact O-N 3.13Å; L130-K132 VanDerWaalsContact C-N 3.29Å; L130-K132 HydrophobicContact CB-CG 3.98Å; L130-K132 PolarHBondContact O-N 3.42Å; K132-E313 WeakPolarHBondContact CE-OE1 3.43Å; K132-E313 IonicContact NZ-OE1 2.95Å; K132-E313 PolarHBondContact NZ-OE1 2.93Å; K132-E313 IonicContact NZ-OE2 2.96Å; K132-E313 PolarHBondContact NZ-OE2 3.03Å; K132-T490 HydrophobicContact CB-CG2 4.48Å
133	P	90.1	Very high	91.3	Very high	47 Å²	47	33.9 Å²	33.9	31%	0.305	18%	0.184	S	C	.	.	P	Polyproline II helix	trans	-70.7	167.1	169.4	31.2	-35.3	0	0	0	111.3	L235 A236 M238	P133-L235 WeakPolarHBondContact CB-O 3.42Å; P133-A236 WeakPolarHBondContact CB-O 3.34Å; P133-M238 HydrophobicContact CB-CG 3.85Å; P133-M238 HydrophobicContact CG-CG 4.4Å
134	L	92.4	Very high	91.3	Very high	5 Å²	5	35.1 Å²	35.1	3%	0.026	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-70.8	147.2	170.5	-86.4	60.3	0	0	0	110.5	V123 M127 Q138 I139 V142 L235 L310	V123-L134 HydrophobicContact CG1-CD1 3.83Å; V123-L134 HydrophobicContact CG1-CD2 3.85Å; M127-L134 HydrophobicContact CG-CD1 3.37Å; M127-L134 HydrophobicContact SD-CD1 3.82Å; L134-Q138 HydrophobicContact CB-CB 4.06Å; L134-Q138 HydrophobicContact CD2-CB 4.11Å; L134-Q138 HydrophobicContact CG-CB 4.05Å; L134-I139 HydrophobicContact CB-CD1 4.28Å; L134-I139 HydrophobicContact CB-CG1 3.64Å; L134-V142 HydrophobicContact CD2-CG2 4.36Å; L134-L235 HydrophobicContact CD2-CD1 4.37Å; L134-L235 HydrophobicContact CD2-CD2 4.33Å; L134-L235 PolarHBondContact N-O 2.89Å; L134-L310 HydrophobicContact CD1-CD2 4.38Å; L134-L310 HydrophobicContact CD2-CD2 4.48Å; L134-L310 HydrophobicContact CG-CD2 4.23Å
135	S	90.4	Very high	91.5	Very high	52 Å²	52	33 Å²	33	36%	0.364	18%	0.179	S	C	.	.	P	Polyproline II helix	trans	-75.3	159.3	170.7	64.8	0	0	0	0	111.4	Q138 I139	S135-Q138 WeakPolarHBondContact O-CB 3.41Å; S135-Q138 PolarHBondContact O-N 2.9Å; S135-Q138 WeakPolarHBondContact OG-CG 3.46Å; S135-Q138 PolarHBondContact OG-OE1 3.29Å; S135-I139 WeakPolarHBondContact O-CG1 3.44Å; S135-I139 PolarHBondContact O-N 3.45Å
136	E	90	Very high	91.8	Very high	35 Å²	35	29.8 Å²	29.8	16%	0.164	16%	0.156	C	C	.	.	H	α-helix	trans	-55.6	-42.5	179.8	-160.6	-174.3	135	0	0	113.8	Q138 I139 R140 W268 T270 F271 F297	E136-Q138 VanDerWaalsContact C-N 3.31Å; E136-Q138 PolarHBondContact O-N 3.47Å; E136-I139 PolarHBondContact O-N 2.88Å; E136-R140 WeakPolarHBondContact O-CB 3.36Å; E136-R140 PolarHBondContact O-N 3.4Å; E136-R140 IonicContact OE1-NH2 2.68Å; E136-R140 PolarHBondContact OE1-NH2 3.48Å; E136-W268 HydrophobicContact CB-CE3 4.05Å; E136-W268 HydrophobicContact CB-CZ3 3.69Å; E136-W268 HydrophobicContact CG-CE3 4.02Å; E136-W268 HydrophobicContact CG-CZ3 4.05Å; E136-T270 PolarHBondContact OE1-OG1 2.92Å; E136-F271 HydrophobicContact CG-CB 4.35Å; E136-F297 HydrophobicContact CG-CE2 4.04Å; E136-F297 HydrophobicContact CG-CZ 4.38Å
137	P	91.5	Very high	92.1	Very high	57 Å²	57	29.7 Å²	29.7	37%	0.37	16%	0.156	S	C	.	.	H	α-helix	trans	-60.8	-35.8	174.5	-24.7	35.9	0	0	0	114.1	F141 P306	P137-F141 PolarHBondContact O-N 2.97Å; P137-P306 HydrophobicContact CB-CB 4.19Å; P137-P306 HydrophobicContact CB-CG 4.13Å
138	Q	94.5	Very high	92.3	Very high	13 Å²	13	31.1 Å²	31.1	6%	0.061	16%	0.162	C	C	.	.	H	α-helix	trans	-69.9	-47	176.2	-70.4	160	-21.8	0	0	110.9	L134 S135 E136 R140 F141 V142 P306 I307	L134-Q138 HydrophobicContact CB-CB 4.06Å; L134-Q138 HydrophobicContact CD2-CB 4.11Å; L134-Q138 HydrophobicContact CG-CB 4.05Å; S135-Q138 WeakPolarHBondContact O-CB 3.41Å; S135-Q138 PolarHBondContact O-N 2.9Å; S135-Q138 WeakPolarHBondContact OG-CG 3.46Å; S135-Q138 PolarHBondContact OG-OE1 3.29Å; E136-Q138 VanDerWaalsContact C-N 3.31Å; E136-Q138 PolarHBondContact O-N 3.47Å; Q138-R140 VanDerWaalsContact C-N 3.25Å; Q138-R140 PolarHBondContact O-N 3.19Å; Q138-F141 PolarHBondContact O-N 3.4Å; Q138-V142 WeakPolarHBondContact O-CG2 3.46Å; Q138-V142 PolarHBondContact O-N 3.16Å; Q138-P306 HydrophobicContact CG-CB 3.85Å; Q138-P306 WeakPolarHBondContact CG-O 3.24Å; Q138-P306 PolarHBondContact NE2-O 2.86Å; Q138-I307 HydrophobicContact CB-CD1 4.1Å; Q138-I307 HydrophobicContact CG-CD1 4.28Å
139	I	94.9	Very high	92.8	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-58.2	-41.9	175.4	-65.4	173.7	0	0	0	110.3	L134 S135 E136 V142 C143 L232 L235 A236 W268 F271 F297	L134-I139 HydrophobicContact CB-CD1 4.28Å; L134-I139 HydrophobicContact CB-CG1 3.64Å; S135-I139 WeakPolarHBondContact O-CG1 3.44Å; S135-I139 PolarHBondContact O-N 3.45Å; E136-I139 PolarHBondContact O-N 2.88Å; I139-V142 PolarHBondContact O-N 2.92Å; I139-C143 WeakPolarHBondContact O-CB 3.4Å; I139-C143 PolarHBondContact O-N 3.29Å; I139-L232 HydrophobicContact CG2-CD2 3.79Å; I139-L235 HydrophobicContact CD1-CB 4.31Å; I139-L235 HydrophobicContact CG1-CB 4.05Å; I139-A236 HydrophobicContact CD1-CB 3.8Å; I139-W268 HydrophobicContact CD1-CH2 3.83Å; I139-W268 HydrophobicContact CD1-CZ3 3.82Å; I139-F271 HydrophobicContact CG2-CD2 4.16Å; I139-F271 HydrophobicContact CG2-CE2 3.64Å; I139-F271 HydrophobicContact CG2-CZ 4Å; I139-F297 HydrophobicContact CG2-CZ 4.36Å
140	R	94.2	Very high	93.4	Very high	55 Å²	55	21.9 Å²	21.9	21%	0.208	12%	0.115	C	C	.	.	H	α-helix	trans	-60.3	-48.8	-179.9	-167.1	-177.3	-58.4	117.6	5	112.4	E136 Q138 C143 H144 F297 Q301	E136-R140 WeakPolarHBondContact O-CB 3.36Å; E136-R140 PolarHBondContact O-N 3.4Å; E136-R140 IonicContact OE1-NH2 2.68Å; E136-R140 PolarHBondContact OE1-NH2 3.48Å; Q138-R140 VanDerWaalsContact C-N 3.25Å; Q138-R140 PolarHBondContact O-N 3.19Å; R140-C143 PolarHBondContact O-N 2.81Å; R140-H144 PolarHBondContact O-N 2.88Å; R140-F297 HydrophobicContact CB-CE1 4.31Å; R140-F297 HydrophobicContact CB-CE2 4.21Å; R140-F297 HydrophobicContact CB-CZ 3.87Å; R140-F297 WeakPolarHBondContact CD-O 3.02Å; R140-F297 HydrophobicContact CG-CD2 4.34Å; R140-F297 HydrophobicContact CG-CE1 4.28Å; R140-F297 HydrophobicContact CG-CE2 4.11Å; R140-F297 HydrophobicContact CG-CZ 4.06Å; R140-F297 WeakPolarHBondContact CG-O 3.43Å; R140-Q301 HydrophobicContact CG-CB 4.41Å; R140-Q301 HydrophobicContact CG-CG 3.92Å
141	F	95.7	Very high	94	Very high	11 Å²	11	25 Å²	25	5%	0.048	13%	0.125	C	C	.	.	H	α-helix	trans	-65.9	-45.9	178.6	-177.8	-93.2	0	0	0	111.8	P137 Q138 C143 H144 E145 V176 D303 P304 I307	P137-F141 PolarHBondContact O-N 2.97Å; Q138-F141 PolarHBondContact O-N 3.4Å; F141-C143 VanDerWaalsContact C-N 3.3Å; F141-C143 PolarHBondContact O-N 2.86Å; F141-H144 WeakPolarHBondContact O-CB 3.27Å; F141-H144 PolarHBondContact O-N 3.15Å; F141-E145 HydrophobicContact CD1-CG 4.42Å; F141-E145 HydrophobicContact CE1-CG 4.01Å; F141-E145 HydrophobicContact CZ-CG 4.06Å; F141-E145 PolarHBondContact O-N 3.38Å; F141-E145 VanDerWaalsContact O-N 3.13Å; F141-V176 HydrophobicContact CD1-CG2 4Å; F141-V176 HydrophobicContact CE1-CG2 3.78Å; F141-D303 WeakPolarHBondContact CD2-O 3.18Å; F141-D303 VanDerWaalsContact CE2-C 3.42Å; F141-D303 WeakPolarHBondContact CE2-O 3.42Å; F141-P304 HydrophobicContact CE1-CB 4.39Å; F141-P304 VanDerWaalsContact CE2-CA 3.5Å; F141-P304 HydrophobicContact CE2-CB 4.13Å; F141-P304 VanDerWaalsContact CZ-CA 3.49Å; F141-P304 HydrophobicContact CZ-CB 3.72Å; F141-I307 HydrophobicContact CB-CG1 4.41Å; F141-I307 HydrophobicContact CD1-CB 4.29Å; F141-I307 HydrophobicContact CD1-CD1 4.3Å; F141-I307 HydrophobicContact CD1-CG1 3.28Å; F141-I307 HydrophobicContact CE1-CB 4.39Å; F141-I307 HydrophobicContact CE1-CG1 3.8Å; F141-I307 HydrophobicContact CG-CG1 4.13Å
142	V	97	Very high	94.6	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-58.4	-44.9	175	172.3	0	0	0	0	110.7	L134 Q138 I139 H144 E145 L146 I168 V176 L235 I307	L134-V142 HydrophobicContact CD2-CG2 4.36Å; Q138-V142 WeakPolarHBondContact O-CG2 3.46Å; Q138-V142 PolarHBondContact O-N 3.16Å; I139-V142 PolarHBondContact O-N 2.92Å; V142-H144 PolarHBondContact O-N 3.17Å; V142-E145 PolarHBondContact O-N 3.01Å; V142-L146 HydrophobicContact CG1-CD1 3.72Å; V142-L146 HydrophobicContact CG1-CG 4.17Å; V142-L146 WeakPolarHBondContact O-CB 3.46Å; V142-L146 VanDerWaalsContact O-CG 3.24Å; V142-L146 WeakPolarHBondContact O-CG 3.46Å; V142-L146 PolarHBondContact O-N 3.03Å; V142-I168 HydrophobicContact CG1-CD1 4.23Å; V142-I168 HydrophobicContact CG1-CG2 4.13Å; V142-V176 HydrophobicContact CG1-CG1 4.33Å; V142-V176 HydrophobicContact CG2-CG2 4.18Å; V142-L235 HydrophobicContact CB-CD1 4.5Å; V142-L235 HydrophobicContact CG1-CD1 3.95Å; V142-I307 HydrophobicContact CG2-CD1 3.75Å
143	C	96.6	Very high	95.1	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-61	-43.1	178.4	-171.6	0	0	0	0	112.3	I139 R140 F141 L146 C147 L232 F274 F297 V298	I139-C143 WeakPolarHBondContact O-CB 3.4Å; I139-C143 PolarHBondContact O-N 3.29Å; R140-C143 PolarHBondContact O-N 2.81Å; F141-C143 VanDerWaalsContact C-N 3.3Å; F141-C143 PolarHBondContact O-N 2.86Å; C143-L146 PolarHBondContact O-N 3.01Å; C143-C147 WeakPolarHBondContact O-CB 3.36Å; C143-C147 PolarHBondContact O-N 3.33Å; C143-C147 PolarHBondContact O-SG 3.04Å; C143-L232 HydrophobicContact CB-CD2 3.77Å; C143-F274 WeakPolarHBondContact SG-CE1 3.49Å; C143-F274 WeakPolarHBondContact SG-CZ 3.4Å; C143-F297 HydrophobicContact CB-CE1 4.15Å; C143-V298 HydrophobicContact CB-CG1 3.89Å; C143-V298 VanDerWaalsContact SG-CG1 3.55Å
144	H	96.2	Very high	95.3	Very high	26 Å²	26	21.2 Å²	21.2	12%	0.12	10%	0.104	C	C	.	.	H	α-helix	trans	-56.4	-53	175.6	175.8	76.2	0	0	0	111.5	R140 F141 V142 L146 C147 E148 V298 Q301	R140-H144 PolarHBondContact O-N 2.88Å; F141-H144 WeakPolarHBondContact O-CB 3.27Å; F141-H144 PolarHBondContact O-N 3.15Å; V142-H144 PolarHBondContact O-N 3.17Å; H144-L146 VanDerWaalsContact C-N 3.35Å; H144-L146 PolarHBondContact O-N 3.29Å; H144-C147 PolarHBondContact O-N 3.44Å; H144-E148 PolarHBondContact O-N 2.89Å; H144-E148 VanDerWaalsContact O-N 3.12Å; H144-V298 HydrophobicContact CB-CB 4.02Å; H144-V298 HydrophobicContact CB-CG1 4.35Å; H144-V298 PolarHBondContact ND1-O 2.69Å; H144-Q301 HydrophobicContact CB-CB 4.34Å; H144-Q301 PolarHBondContact CD2-O 3.45Å
145	E	97.4	Very high	95.3	Very high	13 Å²	13	28.9 Å²	28.9	6%	0.061	14%	0.137	C	C	.	.	H	α-helix	trans	-66.3	-34.7	-178.5	-67.1	-64	91.2	0	0	112.8	K94 N95 F141 V142 E148 A149 V176	K94-E145 IonicContact NZ-OE1 3.79Å; K94-E145 PolarHBondContact NZ-OE1 3.43Å; K94-E145 IonicContact NZ-OE2 3.56Å; K94-E145 PolarHBondContact NZ-OE2 2.82Å; N95-E145 PolarHBondContact ND2-OE2 3.18Å; N95-E145 PolarHBondContact OD1-O 3.28Å; F141-E145 HydrophobicContact CD1-CG 4.42Å; F141-E145 HydrophobicContact CE1-CG 4.01Å; F141-E145 HydrophobicContact CZ-CG 4.06Å; F141-E145 PolarHBondContact O-N 3.38Å; F141-E145 VanDerWaalsContact O-N 3.13Å; V142-E145 PolarHBondContact O-N 3.01Å; E145-E148 PolarHBondContact O-N 3.26Å; E145-A149 PolarHBondContact O-N 3.43Å; E145-V176 HydrophobicContact CB-CB 3.66Å; E145-V176 HydrophobicContact CB-CG1 4.03Å; E145-V176 HydrophobicContact CB-CG2 4.12Å; E145-V176 HydrophobicContact CG-CB 4.03Å; E145-V176 HydrophobicContact CG-CG2 4.11Å
146	L	97.7	Very high	95.4	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	13%	0.134	C	C	.	.	H	α-helix	trans	-69.5	-37.4	173.9	-69.8	175.4	0	0	0	112.7	V142 C143 H144 E148 A149 L150 L163 I168 V176 L228	V142-L146 HydrophobicContact CG1-CD1 3.72Å; V142-L146 HydrophobicContact CG1-CG 4.17Å; V142-L146 WeakPolarHBondContact O-CB 3.46Å; V142-L146 VanDerWaalsContact O-CG 3.24Å; V142-L146 WeakPolarHBondContact O-CG 3.46Å; V142-L146 PolarHBondContact O-N 3.03Å; C143-L146 PolarHBondContact O-N 3.01Å; H144-L146 VanDerWaalsContact C-N 3.35Å; H144-L146 PolarHBondContact O-N 3.29Å; L146-E148 VanDerWaalsContact C-N 3.3Å; L146-E148 PolarHBondContact O-N 3.11Å; L146-A149 WeakPolarHBondContact O-CB 3.39Å; L146-A149 PolarHBondContact O-N 2.93Å; L146-L150 WeakPolarHBondContact O-CB 3.35Å; L146-L150 WeakPolarHBondContact O-CG 3.38Å; L146-L150 PolarHBondContact O-N 3.42Å; L146-L163 HydrophobicContact CD2-CD1 4.49Å; L146-I168 HydrophobicContact CD1-CD1 3.56Å; L146-I168 HydrophobicContact CD1-CG1 4.16Å; L146-I168 HydrophobicContact CD2-CD1 4.45Å; L146-I168 HydrophobicContact CD2-CG1 4.14Å; L146-I168 HydrophobicContact CD2-CG2 4.46Å; L146-V176 HydrophobicContact CD2-CG1 4.42Å; L146-L228 HydrophobicContact CB-CD1 4.08Å; L146-L228 HydrophobicContact CD1-CD1 3.86Å
147	C	97.2	Very high	95.3	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.007	15%	0.147	C	C	.	.	H	α-helix	trans	-61.7	-42.2	174.4	-69.9	0	0	0	0	110.6	C143 H144 L150 R151	C143-C147 WeakPolarHBondContact O-CB 3.36Å; C143-C147 PolarHBondContact O-N 3.33Å; C143-C147 PolarHBondContact O-SG 3.04Å; H144-C147 PolarHBondContact O-N 3.44Å; C147-L150 PolarHBondContact O-N 3.29Å; C147-R151 WeakPolarHBondContact O-CB 3.24Å; C147-R151 PolarHBondContact O-N 3.03Å
148	E	96.9	Very high	95.3	Very high	34 Å²	34	28.6 Å²	28.6	16%	0.159	13%	0.129	C	C	.	.	H	α-helix	trans	-62.5	-43.1	174.3	-71.7	-63.3	114.8	0	0	112.3	H144 E145 L146 R151 F152 C293	H144-E148 PolarHBondContact O-N 2.89Å; H144-E148 VanDerWaalsContact O-N 3.12Å; E145-E148 PolarHBondContact O-N 3.26Å; L146-E148 VanDerWaalsContact C-N 3.3Å; L146-E148 PolarHBondContact O-N 3.11Å; E148-R151 PolarHBondContact O-N 3.48Å; E148-R151 IonicContact OE1-CZ 3.51Å; E148-R151 IonicContact OE1-NE 3.38Å; E148-R151 PolarHBondContact OE1-NE 3.26Å; E148-R151 VanDerWaalsContact OE1-NE 3.17Å; E148-R151 IonicContact OE1-NH2 2.67Å; E148-R151 IonicContact OE2-CZ 3.39Å; E148-R151 IonicContact OE2-NE 2.94Å; E148-R151 IonicContact OE2-NH2 2.7Å; E148-R151 PolarHBondContact OE2-NH2 3.06Å; E148-F152 PolarHBondContact O-N 3.32Å; E148-C293 PolarHBondContact OE1-SG 3.46Å
149	A	97	Very high	95.1	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-59	-50.7	174.3	0	0	0	0	0	112.1	N95 E145 L146 F152 L153	N95-A149 HydrophobicContact CB-CB 3.71Å; E145-A149 PolarHBondContact O-N 3.43Å; L146-A149 WeakPolarHBondContact O-CB 3.39Å; L146-A149 PolarHBondContact O-N 2.93Å; A149-F152 PolarHBondContact O-N 3.45Å; A149-L153 WeakPolarHBondContact O-CG 3.33Å; A149-L153 PolarHBondContact O-N 3.17Å
150	L	97.6	Very high	94.9	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-65.5	-40.5	-179.2	-69.5	176	0	0	0	111.7	L146 C147 F152 L153 H154 L163 L178 D224 I225 L228 A289	L146-L150 WeakPolarHBondContact O-CB 3.35Å; L146-L150 WeakPolarHBondContact O-CG 3.38Å; L146-L150 PolarHBondContact O-N 3.42Å; C147-L150 PolarHBondContact O-N 3.29Å; L150-F152 VanDerWaalsContact C-N 3.3Å; L150-F152 PolarHBondContact O-N 2.94Å; L150-L153 PolarHBondContact O-N 2.92Å; L150-H154 VanDerWaalsContact O-CB 3.23Å; L150-H154 WeakPolarHBondContact O-CB 3.47Å; L150-H154 PolarHBondContact O-CD2 2.96Å; L150-H154 VanDerWaalsContact O-CD2 3.32Å; L150-H154 PolarHBondContact O-N 3.5Å; L150-L163 HydrophobicContact CD1-CD2 4.08Å; L150-L178 HydrophobicContact CD2-CD2 4.5Å; L150-D224 HydrophobicContact CD2-CB 3.84Å; L150-I225 HydrophobicContact CD1-CD1 4.17Å; L150-L228 HydrophobicContact CD1-CB 4.3Å; L150-L228 HydrophobicContact CD1-CD2 4.12Å; L150-A289 HydrophobicContact CB-CB 4.01Å
151	R	96.9	Very high	94.6	Very high	76 Å²	76	27.4 Å²	27.4	29%	0.287	13%	0.125	S	C	.	.	H	α-helix	trans	-57.6	-44.4	175.3	-173.6	176.9	67.4	78	3.3	111.2	C147 E148 K155 A289 D290	C147-R151 WeakPolarHBondContact O-CB 3.24Å; C147-R151 PolarHBondContact O-N 3.03Å; E148-R151 PolarHBondContact O-N 3.48Å; E148-R151 IonicContact OE1-CZ 3.51Å; E148-R151 IonicContact OE1-NE 3.38Å; E148-R151 PolarHBondContact OE1-NE 3.26Å; E148-R151 VanDerWaalsContact OE1-NE 3.17Å; E148-R151 IonicContact OE1-NH2 2.67Å; E148-R151 IonicContact OE2-CZ 3.39Å; E148-R151 IonicContact OE2-NE 2.94Å; E148-R151 IonicContact OE2-NH2 2.7Å; E148-R151 PolarHBondContact OE2-NH2 3.06Å; R151-K155 WeakPolarHBondContact O-CB 3.36Å; R151-K155 PolarHBondContact O-N 2.99Å; R151-A289 HydrophobicContact CB-CB 3.91Å; R151-D290 VanDerWaalsContact CG-OD1 3.32Å; R151-D290 WeakPolarHBondContact CG-OD1 3.5Å
152	F	97.1	Very high	94.3	Very high	45 Å²	45	27.5 Å²	27.5	20%	0.197	13%	0.126	C	C	.	.	H	α-helix	trans	-64.6	-52.6	174.9	171.4	-102.3	0	0	0	112.4	C91 H92 H93 V96 E148 A149 L150 H154 K155 C156	C91-F152 HydrophobicContact CB-CE1 3.7Å; C91-F152 HydrophobicContact CB-CZ 4.27Å; H92-F152 WeakPolarHBondContact O-CZ 3.46Å; H93-F152 HydrophobicContact CB-CD1 3.47Å; H93-F152 VanDerWaalsContact CB-CD1 3.47Å; H93-F152 HydrophobicContact CB-CD2 4.38Å; H93-F152 HydrophobicContact CB-CE1 3.57Å; H93-F152 HydrophobicContact CB-CE2 4.47Å; H93-F152 HydrophobicContact CB-CG 3.89Å; H93-F152 HydrophobicContact CB-CZ 4.09Å; H93-F152 AromaticContact CD2-CG 3.79Å; H93-F152 AromaticContact CG-CD1 3.88Å; H93-F152 AromaticContact CG-CG 3.86Å; V96-F152 HydrophobicContact CG2-CD1 4.46Å; E148-F152 PolarHBondContact O-N 3.32Å; A149-F152 PolarHBondContact O-N 3.45Å; L150-F152 VanDerWaalsContact C-N 3.3Å; L150-F152 PolarHBondContact O-N 2.94Å; F152-H154 VanDerWaalsContact C-N 3.35Å; F152-H154 PolarHBondContact O-N 3.47Å; F152-K155 WeakPolarHBondContact O-CB 3.46Å; F152-K155 PolarHBondContact O-N 3.27Å; F152-C156 PolarHBondContact O-N 3.37Å
153	L	95.1	Very high	94.2	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-59.6	-44.5	-178.5	-71	172.9	0	0	0	111.8	C91 V96 A149 L150 K155 C156 H157 V158 L178 F181	C91-L153 HydrophobicContact CB-CD2 4.14Å; V96-L153 HydrophobicContact CG2-CD1 4.42Å; V96-L153 HydrophobicContact CG2-CD2 4.2Å; V96-L153 HydrophobicContact CG2-CG 4.29Å; A149-L153 WeakPolarHBondContact O-CG 3.33Å; A149-L153 PolarHBondContact O-N 3.17Å; L150-L153 PolarHBondContact O-N 2.92Å; L153-K155 VanDerWaalsContact C-N 3.31Å; L153-K155 PolarHBondContact O-N 3.5Å; L153-C156 CarbonylContact O-C 3.57Å; L153-C156 WeakPolarHBondContact O-CA 3.3Å; L153-C156 WeakPolarHBondContact O-CB 3.37Å; L153-C156 PolarHBondContact O-N 3.44Å; L153-H157 PolarHBondContact O-N 3.08Å; L153-V158 CarbonylContact C-O 3.58Å; L153-V158 HydrophobicContact CB-CB 4.23Å; L153-V158 HydrophobicContact CB-CG1 4.49Å; L153-V158 HydrophobicContact CD2-CB 4.2Å; L153-V158 HydrophobicContact CD2-CG1 4.03Å; L153-V158 WeakPolarHBondContact O-CB 3.45Å; L153-V158 PolarHBondContact O-N 2.99Å; L153-L178 HydrophobicContact CD1-CD2 3.95Å; L153-F181 HydrophobicContact CD1-CE1 3.87Å; L153-F181 HydrophobicContact CD1-CZ 4.15Å; L153-F181 HydrophobicContact CD2-CE1 3.85Å; L153-F181 HydrophobicContact CD2-CZ 4.31Å
154	H	94.6	Very high	94.1	Very high	22 Å²	22	29.5 Å²	29.5	10%	0.102	14%	0.135	C	C	.	.	H	α-helix	trans	-65.7	-35.6	179.8	-67	-173.6	0	0	0	111.7	L150 F152 C156 H157 V158 S221 D224	L150-H154 VanDerWaalsContact O-CB 3.23Å; L150-H154 WeakPolarHBondContact O-CB 3.47Å; L150-H154 PolarHBondContact O-CD2 2.96Å; L150-H154 VanDerWaalsContact O-CD2 3.32Å; L150-H154 PolarHBondContact O-N 3.5Å; F152-H154 VanDerWaalsContact C-N 3.35Å; F152-H154 PolarHBondContact O-N 3.47Å; H154-C156 VanDerWaalsContact C-N 3.3Å; H154-H157 PolarHBondContact O-N 2.53Å; H154-V158 PolarHBondContact CD2-O 3.39Å; H154-S221 PolarHBondContact CE1-O 3.36Å; H154-S221 PolarHBondContact ND1-OG 3.45Å; H154-S221 PolarHBondContact NE2-O 3.05Å; H154-D224 IonicContact CD2-OD2 2.74Å; H154-D224 IonicContact NE2-OD2 3.98Å; H154-D224 PolarHBondContact NE2-OD2 3.23Å
155	K	93.5	Very high	94.1	Very high	166 Å²	166	28.2 Å²	28.2	72%	0.722	13%	0.129	S	C	*	.	H	α-helix	trans	-66.1	-32.3	172.1	-173.5	178.1	-179.9	-179	0	112.4	R151 F152 L153 H157	R151-K155 WeakPolarHBondContact O-CB 3.36Å; R151-K155 PolarHBondContact O-N 2.99Å; F152-K155 WeakPolarHBondContact O-CB 3.46Å; F152-K155 PolarHBondContact O-N 3.27Å; L153-K155 VanDerWaalsContact C-N 3.31Å; L153-K155 PolarHBondContact O-N 3.5Å; K155-H157 PolarHBondContact O-N 2.95Å
156	C	91.3	Very high	93.8	Very high	45 Å²	45	28.4 Å²	28.4	30%	0.304	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	7.4	171.3	-67.9	0	0	0	0	113.6	F152 L153 H154 V158	F152-C156 PolarHBondContact O-N 3.37Å; L153-C156 CarbonylContact O-C 3.57Å; L153-C156 WeakPolarHBondContact O-CA 3.3Å; L153-C156 WeakPolarHBondContact O-CB 3.37Å; L153-C156 PolarHBondContact O-N 3.44Å; H154-C156 VanDerWaalsContact C-N 3.3Å; C156-V158 HydrophobicContact CB-CG2 4.3Å; C156-V158 PolarHBondContact O-N 3Å
157	H	88.4	Confident	93.6	Very high	93 Å²	93	29.1 Å²	29.1	43%	0.431	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	33.7	-175.8	-55	-52.8	0	0	0	113.9	L153 H154 K155 S187	L153-H157 PolarHBondContact O-N 3.08Å; H154-H157 PolarHBondContact O-N 2.53Å; K155-H157 PolarHBondContact O-N 2.95Å; H157-S187 PolarHBondContact O-N 3.35Å
158	V	90.7	Very high	93.7	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	135.4	173.7	177.5	0	0	0	0	109.9	I87 L153 H154 C156 A185 K186	I87-V158 HydrophobicContact CD1-CG1 3.99Å; I87-V158 HydrophobicContact CG1-CG1 4.36Å; I87-V158 HydrophobicContact CG1-CG2 4.16Å; I87-V158 HydrophobicContact CG2-CG1 4Å; I87-V158 HydrophobicContact CG2-CG2 4.31Å; L153-V158 CarbonylContact C-O 3.58Å; L153-V158 HydrophobicContact CB-CB 4.23Å; L153-V158 HydrophobicContact CB-CG1 4.49Å; L153-V158 HydrophobicContact CD2-CB 4.2Å; L153-V158 HydrophobicContact CD2-CG1 4.03Å; L153-V158 WeakPolarHBondContact O-CB 3.45Å; L153-V158 PolarHBondContact O-N 2.99Å; H154-V158 PolarHBondContact CD2-O 3.39Å; C156-V158 HydrophobicContact CB-CG2 4.3Å; C156-V158 PolarHBondContact O-N 3Å; V158-A185 VanDerWaalsContact CA-O 3.32Å; V158-A185 WeakPolarHBondContact CA-O 3.42Å; V158-K186 HydrophobicContact CG2-CG 4.31Å
159	I	91	Very high	93.7	Very high	16 Å²	16	29.5 Å²	29.5	8%	0.082	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	127.8	171.9	-49.2	178.8	0	0	0	107.7	R161 S184 A185 C223 D224	I159-R161 HydrophobicContact CB-CG 4.24Å; I159-R161 HydrophobicContact CG2-CG 3.65Å; I159-S184 WeakPolarHBondContact O-CA 3.5Å; I159-A185 HydrophobicContact CB-CB 4.35Å; I159-A185 PolarHBondContact N-O 2.98Å; I159-A185 PolarHBondContact O-N 3.26Å; I159-C223 WeakPolarHBondContact CG2-SG 3.02Å; I159-D224 WeakPolarHBondContact CG2-OD2 3.36Å
160	H	90.9	Very high	93.7	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.141	C	C	.	.			trans	-74.2	-47.7	-174.2	-172.2	-85.9	0	0	0	112.8	D162 L163 G179 D180 F181 S184 D224	H160-D162 PolarHBondContact CE1-O 3.34Å; H160-D162 VanDerWaalsContact CE1-O 3.29Å; H160-D162 VanDerWaalsContact ND1-C 3.27Å; H160-D162 PolarHBondContact ND1-N 3.5Å; H160-D162 PolarHBondContact O-N 2.67Å; H160-D162 VanDerWaalsContact O-N 3.09Å; H160-L163 PolarHBondContact ND1-N 2.91Å; H160-G179 PolarHBondContact NE2-O 3.03Å; H160-D180 PolarHBondContact NE2-O 3.36Å; H160-F181 AromaticContact CD2-CE1 3.85Å; H160-S184 PolarHBondContact O-OG 3.11Å; H160-S184 VanDerWaalsContact O-OG 3.1Å; H160-D224 PolarHBondContact N-OD1 3.43Å; H160-D224 PolarHBondContact N-OD2 3.03Å
161	R	88.4	Confident	93.6	Very high	26 Å²	26	29.8 Å²	29.8	10%	0.098	14%	0.142	C	C	.	.			trans	68.7	-13.8	176.7	-53.3	-167.5	-72.1	177.5	-0.6	118.1	I159 V183 S184 T196 Y219 D224	I159-R161 HydrophobicContact CB-CG 4.24Å; I159-R161 HydrophobicContact CG2-CG 3.65Å; R161-V183 PolarHBondContact NE-O 3.1Å; R161-V183 PolarHBondContact NH2-O 3.02Å; R161-S184 PolarHBondContact NH2-O 3.38Å; R161-S184 VanDerWaalsContact NH2-O 3.12Å; R161-T196 PolarHBondContact NH1-OG1 3.05Å; R161-Y219 WeakPolarHBondContact CD-OH 3.49Å; R161-Y219 HydrophobicContact CG-CE2 4.42Å; R161-Y219 PolarHBondContact NH1-OH 3.37Å; R161-D224 PolarHBondContact N-OD1 3.11Å
162	D	88.8	Confident	93.3	Very high	14 Å²	14	30.4 Å²	30.4	8%	0.075	15%	0.147	C	C	.	.			trans	-130.3	47.6	174.7	-162	44.8	0	0	0	112.6	H160 K164 N167 V183 T200	H160-D162 PolarHBondContact CE1-O 3.34Å; H160-D162 VanDerWaalsContact CE1-O 3.29Å; H160-D162 VanDerWaalsContact ND1-C 3.27Å; H160-D162 PolarHBondContact ND1-N 3.5Å; H160-D162 PolarHBondContact O-N 2.67Å; H160-D162 VanDerWaalsContact O-N 3.09Å; D162-K164 PolarHBondContact O-N 3.35Å; D162-K164 IonicContact OD1-NZ 3.54Å; D162-K164 PolarHBondContact OD1-NZ 2.89Å; D162-K164 WeakPolarHBondContact OD2-CE 3.39Å; D162-K164 IonicContact OD2-NZ 2.72Å; D162-K164 PolarHBondContact OD2-NZ 3.46Å; D162-N167 PolarHBondContact O-ND2 3.28Å; D162-N167 PolarHBondContact OD2-ND2 2.97Å; D162-N167 VanDerWaalsContact OD2-ND2 3.08Å; D162-V183 HydrophobicContact CB-CG2 3.6Å; D162-T200 PolarHBondContact OD1-N 2.71Å; D162-T200 PolarHBondContact OD1-OG1 2.79Å
163	L	94.5	Very high	93	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.167	C	C	.	.			trans	-75.8	120.2	177.2	-175.5	69.7	0	0	0	110.3	L146 L150 H160 L178 L228 T231	L146-L163 HydrophobicContact CD2-CD1 4.49Å; L150-L163 HydrophobicContact CD1-CD2 4.08Å; H160-L163 PolarHBondContact ND1-N 2.91Å; L163-L178 HydrophobicContact CD1-CD1 3.43Å; L163-L178 VanDerWaalsContact CD1-CD1 3.43Å; L163-L178 HydrophobicContact CD1-CD2 4.21Å; L163-L178 HydrophobicContact CD1-CG 4.49Å; L163-L228 HydrophobicContact CD2-CB 3.66Å; L163-L228 HydrophobicContact CD2-CD1 4.23Å; L163-T231 PolarHBondContact O-OG1 3.19Å
164	K	95.1	Very high	93	Very high	41 Å²	41	34.6 Å²	34.6	18%	0.178	17%	0.168	C	C	.	.	S	Bend	trans	-161.4	164.7	-178.6	63.9	-164	-174.9	-154.8	0	110.3	D162 G166 N167 T200 W203 T231	D162-K164 PolarHBondContact O-N 3.35Å; D162-K164 IonicContact OD1-NZ 3.54Å; D162-K164 PolarHBondContact OD1-NZ 2.89Å; D162-K164 WeakPolarHBondContact OD2-CE 3.39Å; D162-K164 IonicContact OD2-NZ 2.72Å; D162-K164 PolarHBondContact OD2-NZ 3.46Å; K164-G166 PolarHBondContact O-N 3.48Å; K164-N167 HydrophobicContact CG-CB 4.3Å; K164-N167 PolarHBondContact O-N 3.36Å; K164-T200 PolarHBondContact NZ-OG1 2.89Å; K164-W203 HydrophobicContact CB-CD2 3.93Å; K164-W203 HydrophobicContact CB-CG 4.1Å; K164-W203 HydrophobicContact CB-CZ2 4.05Å; K164-T231 WeakPolarHBondContact CA-OG1 3.33Å
165	A	95.6	Very high	93	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-60.8	-31.5	-176.1	0	0	0	0	0	113.8	V123 D124 M127 N167 I168 T231 E234 L235	V123-A165 PolarHBondContact N-O 2.88Å; D124-A165 HydrophobicContact CB-CB 3.99Å; M127-A165 HydrophobicContact CE-CB 4.11Å; A165-N167 PolarHBondContact O-N 2.94Å; A165-I168 PolarHBondContact O-N 3.47Å; A165-T231 HydrophobicContact CB-CG2 4.45Å; A165-E234 HydrophobicContact CB-CG 4.02Å; A165-E234 VanDerWaalsContact CB-OE1 3.3Å; A165-E234 WeakPolarHBondContact CB-OE1 3.44Å; A165-E234 WeakPolarHBondContact CB-OE2 3.46Å; A165-E234 PolarHBondContact N-OE2 3.06Å; A165-L235 HydrophobicContact CB-CD2 3.74Å
166	G	92.1	Very high	93.3	Very high	17 Å²	17	29.6 Å²	29.6	18%	0.175	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-64.6	-19.6	174.6	0	0	0	0	0	115.4	A122 D124 K164	A122-G166 WeakPolarHBondContact CB-O 3.41Å; D124-G166 WeakPolarHBondContact OD1-CA 3.5Å; D124-G166 WeakPolarHBondContact OD2-CA 3.18Å; K164-G166 PolarHBondContact O-N 3.48Å
167	N	93.6	Very high	93.6	Very high	15 Å²	15	27.5 Å²	27.5	8%	0.08	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-101.9	2.3	178.7	-69.8	-7	0	0	0	112.6	D162 K164 A165 G179	D162-N167 PolarHBondContact O-ND2 3.28Å; D162-N167 PolarHBondContact OD2-ND2 2.97Å; D162-N167 VanDerWaalsContact OD2-ND2 3.08Å; K164-N167 HydrophobicContact CG-CB 4.3Å; K164-N167 PolarHBondContact O-N 3.36Å; A165-N167 PolarHBondContact O-N 2.94Å; N167-G179 PolarHBondContact O-N 3.36Å
168	I	97.8	Very high	94	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	113.4	172	-54.9	169.3	0	0	0	107.6	A122 V123 V142 L146 A165 V176 T231	A122-I168 CarbonylContact C-O 3.49Å; A122-I168 WeakPolarHBondContact CA-O 3.41Å; V123-I168 HydrophobicContact CB-CB 4.4Å; V123-I168 HydrophobicContact CG2-CB 3.93Å; V123-I168 HydrophobicContact CG2-CG2 3.66Å; V123-I168 WeakPolarHBondContact CG2-O 3.44Å; V123-I168 PolarHBondContact N-O 2.89Å; V142-I168 HydrophobicContact CG1-CD1 4.23Å; V142-I168 HydrophobicContact CG1-CG2 4.13Å; L146-I168 HydrophobicContact CD1-CD1 3.56Å; L146-I168 HydrophobicContact CD1-CG1 4.16Å; L146-I168 HydrophobicContact CD2-CD1 4.45Å; L146-I168 HydrophobicContact CD2-CG1 4.14Å; L146-I168 HydrophobicContact CD2-CG2 4.46Å; A165-I168 PolarHBondContact O-N 3.47Å; I168-V176 HydrophobicContact CG2-CG1 3.78Å; I168-T231 HydrophobicContact CD1-CG2 3.58Å
169	L	97.3	Very high	94.1	Very high	43 Å²	43	23.3 Å²	23.3	23%	0.225	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	145.5	-179	-53.2	-176.8	0	0	0	111.1	V97 C118 G121 A122 K177	V97-L169 HydrophobicContact CG2-CD1 3.9Å; C118-L169 HydrophobicContact CB-CB 3.56Å; C118-L169 HydrophobicContact CB-CD1 4.06Å; C118-L169 HydrophobicContact CB-CG 4.42Å; G121-L169 WeakPolarHBondContact O-CA 3.11Å; A122-L169 HydrophobicContact CB-CD2 3.84Å; L169-K177 PolarHBondContact N-O 2.88Å; L169-K177 PolarHBondContact O-N 3.19Å
170	L	97.6	Very high	93.7	Very high	1 Å²	1	25 Å²	25	1%	0.005	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	139.8	175.4	-58.9	-176.2	0	0	0	111.4	C118 G120 G121 V123 I126 E175 V176 I307 L310 L311	C118-L170 CarbonylContact C-O 3.38Å; C118-L170 VanDerWaalsContact C-O 3.22Å; C118-L170 WeakPolarHBondContact CB-O 3.49Å; G120-L170 WeakPolarHBondContact CA-O 3.13Å; G120-L170 PolarHBondContact N-O 3.26Å; G121-L170 PolarHBondContact N-O 2.91Å; G121-L170 PolarHBondContact O-N 3.14Å; V123-L170 HydrophobicContact CG2-CD1 4.15Å; V123-L170 HydrophobicContact CG2-CD2 4.24Å; V123-L170 HydrophobicContact CG2-CG 3.96Å; I126-L170 HydrophobicContact CD1-CD1 3.58Å; I126-L170 HydrophobicContact CD1-CG 4.32Å; L170-E175 WeakPolarHBondContact CA-O 3.45Å; L170-V176 HydrophobicContact CD2-CB 4.25Å; L170-V176 HydrophobicContact CD2-CG1 4.45Å; L170-V176 HydrophobicContact CD2-CG2 3.69Å; L170-I307 HydrophobicContact CD1-CG2 3.79Å; L170-I307 HydrophobicContact CD2-CG2 4.13Å; L170-I307 HydrophobicContact CG-CG2 4.48Å; L170-L310 HydrophobicContact CD1-CD2 4.43Å; L170-L311 HydrophobicContact CB-CD2 4.22Å; L170-L311 HydrophobicContact CD1-CD2 4.19Å
171	T	94.8	Very high	93.3	Very high	5 Å²	5	25 Å²	25	3%	0.031	12%	0.124	C	C	.	.			trans	-87.9	167.2	168	71.1	0	0	0	0	110.7	E173 G174 E175 K177 L311	T171-E173 WeakPolarHBondContact CB-OE2 3.35Å; T171-E173 PolarHBondContact O-N 2.97Å; T171-E173 PolarHBondContact OG1-N 3.5Å; T171-E173 PolarHBondContact OG1-OE2 3.02Å; T171-G174 PolarHBondContact O-N 3.34Å; T171-E175 HydrophobicContact CG2-CB 4.02Å; T171-E175 PolarHBondContact N-O 3.49Å; T171-E175 VanDerWaalsContact OG1-CB 3.27Å; T171-E175 WeakPolarHBondContact OG1-CB 3.37Å; T171-E175 WeakPolarHBondContact OG1-CG 3.45Å; T171-E175 PolarHBondContact OG1-N 3.46Å; T171-K177 HydrophobicContact CG2-CD 3.77Å; T171-K177 VanDerWaalsContact CG2-CE 3.4Å; T171-L311 WeakPolarHBondContact O-CD1 3.39Å
172	F	90.6	Very high	92.3	Very high	89 Å²	89	24.6 Å²	24.6	39%	0.39	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-18	175.8	-71.3	-42.9	0	0	0	113	G119 G174	G119-F172 VanDerWaalsContact C-CZ 3.42Å; G119-F172 WeakPolarHBondContact O-CE1 3.28Å; G119-F172 WeakPolarHBondContact O-CZ 3.49Å; F172-G174 PolarHBondContact O-N 3.06Å
173	E	91.8	Very high	91.1	Very high	132 Å²	132	25.3 Å²	25.3	62%	0.617	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-1.6	176.8	-61.8	65.6	-141.1	0	0	111.9	T171 E175	T171-E173 WeakPolarHBondContact CB-OE2 3.35Å; T171-E173 PolarHBondContact O-N 2.97Å; T171-E173 PolarHBondContact OG1-N 3.5Å; T171-E173 PolarHBondContact OG1-OE2 3.02Å; E173-E175 HydrophobicContact CB-CG 4.41Å
174	G	93.5	Very high	89.8	Confident	1 Å²	1	25.6 Å²	25.6	1%	0.01	14%	0.135	C	C	.	.	S	Bend	trans	83.7	16.5	178.7	0	0	0	0	0	114.1	T171 F172	T171-G174 PolarHBondContact O-N 3.34Å; F172-G174 PolarHBondContact O-N 3.06Å
175	E	96.5	Very high	88.1	Confident	82 Å²	82	23.6 Å²	23.6	38%	0.383	13%	0.126	S	C	.	.			trans	-80.6	144.4	174.9	-50.8	-179.1	137.3	0	0	110.8	L170 T171 E173 K177	L170-E175 WeakPolarHBondContact CA-O 3.45Å; T171-E175 HydrophobicContact CG2-CB 4.02Å; T171-E175 PolarHBondContact N-O 3.49Å; T171-E175 VanDerWaalsContact OG1-CB 3.27Å; T171-E175 WeakPolarHBondContact OG1-CB 3.37Å; T171-E175 WeakPolarHBondContact OG1-CG 3.45Å; T171-E175 PolarHBondContact OG1-N 3.46Å; E173-E175 HydrophobicContact CB-CG 4.41Å; E175-K177 VanDerWaalsContact OE2-CE 3.23Å; E175-K177 WeakPolarHBondContact OE2-CE 3.26Å; E175-K177 IonicContact OE2-NZ 2.66Å
176	V	98	Very high	86.8	Confident	1 Å²	1	26.1 Å²	26.1	1%	0.006	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	125.6	176.3	178.4	0	0	0	0	108.8	N95 F141 V142 E145 L146 I168 L170	N95-V176 WeakPolarHBondContact CA-O 3.4Å; N95-V176 WeakPolarHBondContact CB-O 3.43Å; N95-V176 PolarHBondContact ND2-O 3.4Å; F141-V176 HydrophobicContact CD1-CG2 4Å; F141-V176 HydrophobicContact CE1-CG2 3.78Å; V142-V176 HydrophobicContact CG1-CG1 4.33Å; V142-V176 HydrophobicContact CG2-CG2 4.18Å; E145-V176 HydrophobicContact CB-CB 3.66Å; E145-V176 HydrophobicContact CB-CG1 4.03Å; E145-V176 HydrophobicContact CB-CG2 4.12Å; E145-V176 HydrophobicContact CG-CB 4.03Å; E145-V176 HydrophobicContact CG-CG2 4.11Å; L146-V176 HydrophobicContact CD2-CG1 4.42Å; I168-V176 HydrophobicContact CG2-CG1 3.78Å; L170-V176 HydrophobicContact CD2-CB 4.25Å; L170-V176 HydrophobicContact CD2-CG1 4.45Å; L170-V176 HydrophobicContact CD2-CG2 3.69Å
177	K	97.9	Very high	85.2	Confident	2 Å²	2	26.3 Å²	26.3	1%	0.009	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	132.3	-177.7	-67.7	174	-177.6	-80.1	0	110.9	K94 V97 E116 L169 T171 E175	K94-K177 PolarHBondContact O-NZ 3.1Å; V97-K177 HydrophobicContact CG2-CB 3.94Å; E116-K177 WeakPolarHBondContact OE1-CE 3.39Å; E116-K177 IonicContact OE1-NZ 3.34Å; E116-K177 PolarHBondContact OE1-NZ 3.45Å; E116-K177 WeakPolarHBondContact OE2-CD 3.43Å; E116-K177 WeakPolarHBondContact OE2-CE 3.28Å; E116-K177 IonicContact OE2-NZ 3.87Å; E116-K177 PolarHBondContact OE2-NZ 3.24Å; L169-K177 PolarHBondContact N-O 2.88Å; L169-K177 PolarHBondContact O-N 3.19Å; T171-K177 HydrophobicContact CG2-CD 3.77Å; T171-K177 VanDerWaalsContact CG2-CE 3.4Å; E175-K177 VanDerWaalsContact OE2-CE 3.23Å; E175-K177 WeakPolarHBondContact OE2-CE 3.26Å; E175-K177 IonicContact OE2-NZ 2.66Å
178	L	97.4	Very high	83.1	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	126.9	172.2	-176.2	58.6	0	0	0	109.6	N95 V97 L150 L153 L163	N95-L178 PolarHBondContact O-N 3.49Å; V97-L178 WeakPolarHBondContact CG2-O 3.32Å; V97-L178 PolarHBondContact N-O 3.49Å; L150-L178 HydrophobicContact CD2-CD2 4.5Å; L153-L178 HydrophobicContact CD1-CD2 3.95Å; L163-L178 HydrophobicContact CD1-CD1 3.43Å; L163-L178 VanDerWaalsContact CD1-CD1 3.43Å; L163-L178 HydrophobicContact CD1-CD2 4.21Å; L163-L178 HydrophobicContact CD1-CG 4.49Å
179	G	91.9	Very high	80.4	Confident	5 Å²	5	35.5 Å²	35.5	5%	0.052	19%	0.194	C	C	.	.			trans	-122.9	-179.3	178.9	0	0	0	0	0	113.4	H160 N167	H160-G179 PolarHBondContact NE2-O 3.03Å; N167-G179 PolarHBondContact O-N 3.36Å
180	D	84.6	Confident	77.6	Confident	50 Å²	50	38.4 Å²	38.4	27%	0.267	22%	0.218	S	C	.	.			trans	62.1	80.3	-179.8	-158.6	19.3	0	0	0	115.7	K68 H160	K68-D180 IonicContact NZ-OD1 3.15Å; K68-D180 PolarHBondContact NZ-OD1 2.78Å; H160-D180 PolarHBondContact NE2-O 3.36Å
181	F	81.8	Confident	74.6	Confident	1 Å²	1	45.6 Å²	45.6	0%	0.004	26%	0.256	C	S	.	.			trans	-95.6	11.8	179.1	-68.4	-99.5	0	0	0	112.6	E84 I87 L88 V96 L153 H160 V183 S184	E84-F181 HydrophobicContact CG-CB 4.01Å; I87-F181 HydrophobicContact CG2-CD1 3.61Å; I87-F181 HydrophobicContact CG2-CE1 4.01Å; I87-F181 HydrophobicContact CG2-CG 4.24Å; L88-F181 HydrophobicContact CD2-CD2 3.51Å; L88-F181 HydrophobicContact CD2-CE2 3.83Å; L88-F181 HydrophobicContact CD2-CG 4.2Å; L88-F181 HydrophobicContact CG-CD2 4.23Å; V96-F181 HydrophobicContact CG1-CE2 3.83Å; V96-F181 HydrophobicContact CG1-CZ 3.62Å; V96-F181 HydrophobicContact CG2-CZ 4.4Å; L153-F181 HydrophobicContact CD1-CE1 3.87Å; L153-F181 HydrophobicContact CD1-CZ 4.15Å; L153-F181 HydrophobicContact CD2-CE1 3.85Å; L153-F181 HydrophobicContact CD2-CZ 4.31Å; H160-F181 AromaticContact CD2-CE1 3.85Å; F181-V183 PolarHBondContact O-N 3.3Å; F181-V183 VanDerWaalsContact O-N 3.09Å; F181-S184 WeakPolarHBondContact CA-OG 3.37Å; F181-S184 VanDerWaalsContact CD1-OG 3.24Å; F181-S184 WeakPolarHBondContact CD1-OG 3.4Å; F181-S184 WeakPolarHBondContact O-CB 3.46Å; F181-S184 PolarHBondContact O-N 2.83Å
182	G	67.7	Low	71.8	Confident	18 Å²	18	51.5 Å²	51.5	19%	0.186	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-25.7	-175.1	0	0	0	0	0	114	E84	E84-G182 PolarHBondContact OE1-N 2.98Å; E84-G182 VanDerWaalsContact OE2-CA 3.31Å; E84-G182 WeakPolarHBondContact OE2-CA 3.47Å
183	V	63	Low	69.5	Low	29 Å²	29	54.2 Å²	54.2	18%	0.176	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.8	13.2	173.6	-60	0	0	0	0	112.8	R161 D162 F181 I198	R161-V183 PolarHBondContact NE-O 3.1Å; R161-V183 PolarHBondContact NH2-O 3.02Å; D162-V183 HydrophobicContact CB-CG2 3.6Å; F181-V183 PolarHBondContact O-N 3.3Å; F181-V183 VanDerWaalsContact O-N 3.09Å; V183-I198 HydrophobicContact CB-CG2 3.5Å; V183-I198 HydrophobicContact CG1-CG2 3.36Å; V183-I198 HydrophobicContact CG2-CG2 4.22Å
184	S	66.5	Low	67.6	Low	5 Å²	5	50.9 Å²	50.9	4%	0.035	27%	0.272	C	S	.	.			trans	-72	172.7	178.4	-72.7	0	0	0	0	112.1	I159 H160 R161 F181	I159-S184 WeakPolarHBondContact O-CA 3.5Å; H160-S184 PolarHBondContact O-OG 3.11Å; H160-S184 VanDerWaalsContact O-OG 3.1Å; R161-S184 PolarHBondContact NH2-O 3.38Å; R161-S184 VanDerWaalsContact NH2-O 3.12Å; F181-S184 WeakPolarHBondContact CA-OG 3.37Å; F181-S184 VanDerWaalsContact CD1-OG 3.24Å; F181-S184 WeakPolarHBondContact CD1-OG 3.4Å; F181-S184 WeakPolarHBondContact O-CB 3.46Å; F181-S184 PolarHBondContact O-N 2.83Å
185	A	60.7	Low	64.8	Low	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	122.1	-166.1	0	0	0	0	0	110.6	V158 I159	V158-A185 VanDerWaalsContact CA-O 3.32Å; V158-A185 WeakPolarHBondContact CA-O 3.42Å; I159-A185 HydrophobicContact CB-CB 4.35Å; I159-A185 PolarHBondContact N-O 2.98Å; I159-A185 PolarHBondContact O-N 3.26Å
186	K	67.8	Low	62.2	Low	53 Å²	53	53.1 Å²	53.1	23%	0.23	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	131.6	174.7	-169.9	-178.7	-178.7	-171.3	0	112.1	E86 I87 Q90 V158 R194	E86-K186 VanDerWaalsContact CD-NZ 3.33Å; E86-K186 HydrophobicContact CG-CD 4.31Å; E86-K186 IonicContact OE1-NZ 2.86Å; E86-K186 PolarHBondContact OE1-NZ 2.85Å; I87-K186 HydrophobicContact CD1-CB 4.24Å; I87-K186 HydrophobicContact CG1-CB 4.05Å; I87-K186 HydrophobicContact CG1-CD 4.41Å; Q90-K186 VanDerWaalsContact NE2-NZ 3.12Å; V158-K186 HydrophobicContact CG2-CG 4.31Å; K186-R194 PolarHBondContact O-NH2 3.45Å
187	S	58.1	Low	59.7	Low	21 Å²	21	57.4 Å²	57.4	15%	0.147	31%	0.31	C	S	.	.			trans	-116.1	135.6	178.3	-170.2	0	0	0	0	111.7	H157 D189 H192	H157-S187 PolarHBondContact O-N 3.35Å; S187-D189 PolarHBondContact OG-N 3.33Å; S187-D189 PolarHBondContact OG-O 2.96Å; S187-H192 WeakPolarHBondContact OG-CB 3.5Å
188	S	49.9	Very low	57.7	Low	117 Å²	117	60.1 Å²	60.1	82%	0.818	32%	0.324	S	S	*	.	S	Bend	trans	-77.9	-28.2	172.9	55.2	0	0	0	0	113.1
189	D	40.8	Very low	55.7	Low	91 Å²	91	61.4 Å²	61.4	49%	0.487	34%	0.337	S	S	.	.	S	Bend	trans	-111.3	135.6	177.2	-76.4	-34.9	0	0	0	110.9	S187 L191 H192	S187-D189 PolarHBondContact OG-N 3.33Å; S187-D189 PolarHBondContact OG-O 2.96Å; D189-L191 PolarHBondContact O-N 3.28Å; D189-H192 PolarHBondContact O-N 3.4Å; D189-H192 IonicContact OD2-CE1 3.33Å; D189-H192 IonicContact OD2-ND1 2.95Å
190	S	38.4	Very low	54.7	Low	104 Å²	104	63.2 Å²	63.2	73%	0.727	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-9.2	175.7	60	0	0	0	0	114.2
191	L	35	Very low	54.6	Low	152 Å²	152	61.9 Å²	61.9	80%	0.796	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.5	-6.5	-173.3	-139.9	76.2	0	0	0	114.8	D189 R193	D189-L191 PolarHBondContact O-N 3.28Å; L191-R193 PolarHBondContact O-N 3.5Å; L191-R193 VanDerWaalsContact O-N 3.14Å
192	H	36.8	Very low	55	Low	128 Å²	128	64 Å²	64	59%	0.593	35%	0.35	S	S	*	.			trans	-80.9	99.2	-179.3	-89	84.2	0	0	0	111.5	S187 D189	S187-H192 WeakPolarHBondContact OG-CB 3.5Å; D189-H192 PolarHBondContact O-N 3.4Å; D189-H192 IonicContact OD2-CE1 3.33Å; D189-H192 IonicContact OD2-ND1 2.95Å
193	R	40.9	Very low	56.2	Low	146 Å²	146	64.4 Å²	64.4	55%	0.551	35%	0.346	S	S	*	.			trans	-78.1	155.8	167.1	-62.1	170	67.9	-172.2	-3.1	108.5	L191 P218 Y219	L191-R193 PolarHBondContact O-N 3.5Å; L191-R193 VanDerWaalsContact O-N 3.14Å; R193-P218 HydrophobicContact CB-CB 3.17Å; R193-P218 HydrophobicContact CB-CG 3.18Å; R193-P218 HydrophobicContact CG-CB 4.42Å; R193-P218 HydrophobicContact CG-CG 4.07Å; R193-P218 PolarHBondContact NE-O 3.34Å; R193-P218 PolarHBondContact NH2-O 3.06Å; R193-Y219 WeakPolarHBondContact CA-O 3.21Å
194	R	52.9	Low	57.5	Low	62 Å²	62	63.4 Å²	63.4	23%	0.234	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-119	163	-173.6	-59	-171.7	-179.3	-135.8	-5	118.4	K186 P218 Y219	K186-R194 PolarHBondContact O-NH2 3.45Å; R194-P218 CarbonylContact O-C 3.49Å; R194-P218 WeakPolarHBondContact O-CA 3.45Å; R194-P218 WeakPolarHBondContact O-CB 3.39Å; R194-Y219 HydrophobicContact CB-CD1 4.43Å; R194-Y219 HydrophobicContact CB-CE1 4.02Å; R194-Y219 PolarHBondContact N-O 3.39Å; R194-Y219 WeakPolarHBondContact O-CD1 3.46Å; R194-Y219 PolarHBondContact O-N 3.37Å; R194-Y219 VanDerWaalsContact O-N 3.16Å
195	T	34.2	Very low	58.7	Low	64 Å²	64	63.2 Å²	63.2	39%	0.393	34%	0.338	S	S	.	.			trans	-127.5	0.1	-168.2	65	0	0	0	0	117.1	K215 P218	T195-K215 WeakPolarHBondContact CG2-O 3.44Å; T195-P218 HydrophobicContact CG2-CB 4.31Å
196	T	41.5	Very low	60.1	Low	67 Å²	67	63.7 Å²	63.7	41%	0.411	34%	0.341	S	S	.	.			trans	-91.8	136.7	-174.4	53.9	0	0	0	0	113.9	R161 I198	R161-T196 PolarHBondContact NH1-OG1 3.05Å; T196-I198 PolarHBondContact O-N 3.38Å
197	F	45.3	Very low	61.1	Low	91 Å²	91	62.5 Å²	62.5	40%	0.399	34%	0.336	S	S	.	.			trans	-84.8	100.1	176.8	-176.8	-102.6	0	0	0	111.5	M204 E212	F197-M204 HydrophobicContact CD2-CE 3.89Å; F197-M204 HydrophobicContact CE2-CE 3.75Å; F197-M204 HydrophobicContact CE2-SD 4.31Å; F197-E212 HydrophobicContact CB-CB 4.43Å; F197-E212 HydrophobicContact CB-CG 4.09Å; F197-E212 HydrophobicContact CD2-CB 3.68Å; F197-E212 HydrophobicContact CD2-CG 3.55Å; F197-E212 WeakPolarHBondContact CD2-OE2 3.29Å; F197-E212 HydrophobicContact CE2-CB 4.29Å; F197-E212 HydrophobicContact CE2-CG 4.06Å; F197-E212 WeakPolarHBondContact CE2-OE2 3.3Å; F197-E212 HydrophobicContact CG-CB 4.34Å; F197-E212 HydrophobicContact CG-CG 3.86Å
198	I	56.3	Low	62.4	Low	59 Å²	59	61.9 Å²	61.9	30%	0.303	33%	0.332	S	S	.	.			trans	-144.7	138.8	-178.8	-49.7	174.2	0	0	0	108.5	V183 T196	V183-I198 HydrophobicContact CB-CG2 3.5Å; V183-I198 HydrophobicContact CG1-CG2 3.36Å; V183-I198 HydrophobicContact CG2-CG2 4.22Å; T196-I198 PolarHBondContact O-N 3.38Å
199	G	56.5	Low	63.9	Low	27 Å²	27	56.3 Å²	56.3	28%	0.278	29%	0.293	S	S	.	.	S	Bend	trans	130.3	172.6	176.8	0	0	0	0	0	113.7
200	T	70.6	Confident	65.3	Low	42 Å²	42	54 Å²	54	26%	0.258	28%	0.282	S	S	.	.			trans	-88.3	117	177.4	-40.9	0	0	0	0	110.2	D162 K164 Y202 W203	D162-T200 PolarHBondContact OD1-N 2.71Å; D162-T200 PolarHBondContact OD1-OG1 2.79Å; K164-T200 PolarHBondContact NZ-OG1 2.89Å; T200-Y202 HydrophobicContact CG2-CD2 4.3Å; T200-Y202 PolarHBondContact O-N 3.29Å; T200-W203 HydrophobicContact CG2-CE3 3.68Å; T200-W203 HydrophobicContact CG2-CH2 4.43Å; T200-W203 HydrophobicContact CG2-CZ3 3.31Å; T200-W203 PolarHBondContact O-N 3.47Å; T200-W203 VanDerWaalsContact O-N 3.08Å
201	P	81.8	Confident	66.4	Low	22 Å²	22	49.1 Å²	49.1	14%	0.143	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-21.8	-159.8	16.6	-28.2	0	0	0	116.1	W203 M204 M209 P247	P201-W203 VanDerWaalsContact C-N 3.32Å; P201-W203 PolarHBondContact O-N 2.94Å; P201-M204 HydrophobicContact CB-SD 4.26Å; P201-M204 PolarHBondContact O-N 3.2Å; P201-M209 WeakPolarHBondContact O-CE 3.37Å; P201-P247 HydrophobicContact CB-CB 4.49Å; P201-P247 HydrophobicContact CG-CB 3.73Å; P201-P247 HydrophobicContact CG-CG 4.27Å
202	Y	89.8	Confident	67.5	Low	45 Å²	45	45.5 Å²	45.5	18%	0.176	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-27.5	179.5	-52.5	-89.1	0	0	0	113.1	T200 P240 Y242 M245 P247 V250	T200-Y202 HydrophobicContact CG2-CD2 4.3Å; T200-Y202 PolarHBondContact O-N 3.29Å; Y202-P240 HydrophobicContact CG-CG 4.44Å; Y202-Y242 WeakPolarHBondContact CE1-O 3.42Å; Y202-M245 WeakPolarHBondContact CE1-O 3.4Å; Y202-M245 PolarHBondContact OH-O 3Å; Y202-P247 WeakPolarHBondContact OH-CD 3.28Å; Y202-V250 HydrophobicContact CD1-CG1 4.42Å; Y202-V250 HydrophobicContact CD1-CG2 3.81Å; Y202-V250 HydrophobicContact CE1-CG2 3.64Å
203	W	94.5	Very high	68.2	Low	28 Å²	28	43.4 Å²	43.4	11%	0.106	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-5.8	179.4	-62	-101.2	0	0	0	113.3	K164 T200 P201 S227 I230 E234 P240	K164-W203 HydrophobicContact CB-CD2 3.93Å; K164-W203 HydrophobicContact CB-CG 4.1Å; K164-W203 HydrophobicContact CB-CZ2 4.05Å; T200-W203 HydrophobicContact CG2-CE3 3.68Å; T200-W203 HydrophobicContact CG2-CH2 4.43Å; T200-W203 HydrophobicContact CG2-CZ3 3.31Å; T200-W203 PolarHBondContact O-N 3.47Å; T200-W203 VanDerWaalsContact O-N 3.08Å; P201-W203 VanDerWaalsContact C-N 3.32Å; P201-W203 PolarHBondContact O-N 2.94Å; W203-S227 WeakPolarHBondContact O-CA 3.4Å; W203-S227 WeakPolarHBondContact O-CB 3.45Å; W203-S227 PolarHBondContact O-OG 3.19Å; W203-I230 HydrophobicContact CB-CG2 4.33Å; W203-I230 HydrophobicContact CG-CB 4.46Å; W203-I230 HydrophobicContact CG-CG2 3.92Å; W203-E234 WeakPolarHBondContact CZ2-OE1 3.35Å; W203-E234 PolarHBondContact NE1-OE2 3.4Å; W203-P240 HydrophobicContact CH2-CB 4.45Å; W203-P240 HydrophobicContact CH2-CG 3.73Å; W203-P240 HydrophobicContact CZ2-CB 3.92Å; W203-P240 HydrophobicContact CZ2-CG 3.58Å; W203-P240 HydrophobicContact CZ3-CG 4.33Å
204	M	90.3	Very high	68.7	Low	7 Å²	7	42.9 Å²	42.9	3%	0.034	23%	0.225	C	C	.	.			trans	-71.8	138.9	-173.7	-72.5	176.3	74.2	0	0	111.9	F197 P201 V208 M209 W226	F197-M204 HydrophobicContact CD2-CE 3.89Å; F197-M204 HydrophobicContact CE2-CE 3.75Å; F197-M204 HydrophobicContact CE2-SD 4.31Å; P201-M204 HydrophobicContact CB-SD 4.26Å; P201-M204 PolarHBondContact O-N 3.2Å; M204-V208 HydrophobicContact CE-CB 4.25Å; M204-V208 HydrophobicContact CE-CG1 3.46Å; M204-V208 VanDerWaalsContact CE-CG1 3.46Å; M204-M209 HydrophobicContact CB-CE 3.8Å; M204-M209 HydrophobicContact CB-CG 4.27Å; M204-W226 PolarHBondContact O-NE1 3.34Å; M204-W226 VanDerWaalsContact O-NE1 3.16Å
205	A	91.7	Very high	68.6	Low	1 Å²	1	47.6 Å²	47.6	1%	0.008	25%	0.247	C	C	.	.			trans	-72.4	148.9	177.1	0	0	0	0	0	111.9	E207 V208 M209 C223 W226	A205-E207 HydrophobicContact CB-CG 4.39Å; A205-E207 VanDerWaalsContact CB-OE1 3.28Å; A205-E207 WeakPolarHBondContact CB-OE1 3.49Å; A205-E207 VanDerWaalsContact CB-OE2 3.32Å; A205-E207 WeakPolarHBondContact CB-OE2 3.4Å; A205-E207 PolarHBondContact O-N 2.91Å; A205-V208 HydrophobicContact CB-CG2 4.12Å; A205-V208 WeakPolarHBondContact O-CB 3.45Å; A205-V208 PolarHBondContact O-N 2.84Å; A205-M209 PolarHBondContact O-N 3.48Å; A205-M209 VanDerWaalsContact O-N 3.15Å; A205-C223 HydrophobicContact CB-CB 3.94Å; A205-W226 VanDerWaalsContact CA-CD1 3.41Å; A205-W226 HydrophobicContact CB-CB 3.62Å; A205-W226 HydrophobicContact CB-CD2 4.4Å; A205-W226 HydrophobicContact CB-CG 3.68Å
206	P	90.1	Very high	69.2	Low	11 Å²	11	53.3 Å²	53.3	7%	0.071	27%	0.269	C	S	.	.	H	α-helix	trans	-54.3	-39.1	180	-21.7	28	0	0	0	112.8	V208 M209 V210 W226 V254 K281	P206-V208 VanDerWaalsContact C-N 3.33Å; P206-V208 PolarHBondContact O-N 3.35Å; P206-M209 WeakPolarHBondContact O-CB 3.34Å; P206-M209 PolarHBondContact O-N 3.23Å; P206-V210 VanDerWaalsContact O-CG2 3.31Å; P206-V210 WeakPolarHBondContact O-CG2 3.42Å; P206-V210 PolarHBondContact O-N 3Å; P206-W226 HydrophobicContact CG-CD2 4.38Å; P206-W226 HydrophobicContact CG-CE3 4.18Å; P206-W226 HydrophobicContact CG-CH2 3.7Å; P206-W226 HydrophobicContact CG-CZ2 3.91Å; P206-W226 HydrophobicContact CG-CZ3 3.84Å; P206-V254 HydrophobicContact CB-CG1 4.22Å; P206-V254 HydrophobicContact CG-CG1 3.74Å; P206-K281 HydrophobicContact CG-CG 4.34Å
207	E	88.7	Confident	69.7	Low	27 Å²	27	55.4 Å²	55.4	13%	0.126	28%	0.275	C	S	.	.	H	α-helix	trans	-66	-33.6	178.9	67.2	-83.2	-165.4	0	0	112.8	A205 V210 C211 C223 P283 R286	A205-E207 HydrophobicContact CB-CG 4.39Å; A205-E207 VanDerWaalsContact CB-OE1 3.28Å; A205-E207 WeakPolarHBondContact CB-OE1 3.49Å; A205-E207 VanDerWaalsContact CB-OE2 3.32Å; A205-E207 WeakPolarHBondContact CB-OE2 3.4Å; A205-E207 PolarHBondContact O-N 2.91Å; E207-V210 PolarHBondContact O-N 3.49Å; E207-C211 PolarHBondContact O-N 3.23Å; E207-C211 PolarHBondContact O-SG 2.97Å; E207-C223 WeakPolarHBondContact OE1-CA 3.3Å; E207-P283 HydrophobicContact CB-CG 4.45Å; E207-P283 HydrophobicContact CG-CG 4.39Å; E207-R286 IonicContact OE1-CZ 3.24Å; E207-R286 IonicContact OE1-NH1 2.68Å; E207-R286 PolarHBondContact OE1-NH1 2.94Å; E207-R286 IonicContact OE1-NH2 2.55Å; E207-R286 PolarHBondContact OE1-NH2 3.5Å; E207-R286 IonicContact OE2-CZ 2.85Å; E207-R286 IonicContact OE2-NH1 3.82Å; E207-R286 IonicContact OE2-NH2 3.9Å; E207-R286 PolarHBondContact OE2-NH2 3.11Å
208	V	84.2	Confident	70.5	Confident	9 Å²	9	52.4 Å²	52.4	6%	0.055	26%	0.264	C	S	.	.	H	α-helix	trans	-69.9	-39.5	176	-175	0	0	0	0	109.9	M204 A205 P206 V210 C211 Y219 C223	M204-V208 HydrophobicContact CE-CB 4.25Å; M204-V208 HydrophobicContact CE-CG1 3.46Å; M204-V208 VanDerWaalsContact CE-CG1 3.46Å; A205-V208 HydrophobicContact CB-CG2 4.12Å; A205-V208 WeakPolarHBondContact O-CB 3.45Å; A205-V208 PolarHBondContact O-N 2.84Å; P206-V208 VanDerWaalsContact C-N 3.33Å; P206-V208 PolarHBondContact O-N 3.35Å; V208-V210 VanDerWaalsContact C-N 3.33Å; V208-V210 PolarHBondContact O-N 3.4Å; V208-C211 WeakPolarHBondContact O-CB 3.46Å; V208-C211 PolarHBondContact O-N 3.27Å; V208-Y219 HydrophobicContact CG1-CE1 4.2Å; V208-Y219 HydrophobicContact CG2-CD1 4.32Å; V208-Y219 HydrophobicContact CG2-CD2 3.84Å; V208-Y219 HydrophobicContact CG2-CE1 4.49Å; V208-Y219 HydrophobicContact CG2-CE2 4.06Å; V208-Y219 HydrophobicContact CG2-CG 3.98Å; V208-C223 HydrophobicContact CG2-CB 3.55Å
209	M	82.1	Confident	71.3	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-65.1	-33.2	174.4	-64.7	176.7	173.4	0	0	112.8	P201 M204 A205 P206 E212 V251 V254	P201-M209 WeakPolarHBondContact O-CE 3.37Å; M204-M209 HydrophobicContact CB-CE 3.8Å; M204-M209 HydrophobicContact CB-CG 4.27Å; A205-M209 PolarHBondContact O-N 3.48Å; A205-M209 VanDerWaalsContact O-N 3.15Å; P206-M209 WeakPolarHBondContact O-CB 3.34Å; P206-M209 PolarHBondContact O-N 3.23Å; M209-E212 WeakPolarHBondContact O-CB 3.47Å; M209-V251 HydrophobicContact CB-CG1 4.17Å; M209-V251 HydrophobicContact CE-CG2 4.4Å; M209-V251 HydrophobicContact CG-CG1 4.4Å; M209-V251 HydrophobicContact SD-CB 4.34Å; M209-V251 HydrophobicContact SD-CG1 4.28Å; M209-V251 HydrophobicContact SD-CG2 4.38Å; M209-V254 HydrophobicContact CE-CB 4.22Å; M209-V254 HydrophobicContact CE-CG1 4.27Å; M209-V254 HydrophobicContact CE-CG2 4.18Å; M209-V254 HydrophobicContact SD-CB 3.89Å; M209-V254 HydrophobicContact SD-CG1 3.83Å
210	V	70.5	Confident	72.6	Confident	43 Å²	43	50.3 Å²	50.3	26%	0.261	26%	0.255	S	S	.	.	H	α-helix	trans	-72.8	-32.3	177	171.5	0	0	0	0	112	P206 E207 V208 E212 T213 F214	P206-V210 VanDerWaalsContact O-CG2 3.31Å; P206-V210 WeakPolarHBondContact O-CG2 3.42Å; P206-V210 PolarHBondContact O-N 3Å; E207-V210 PolarHBondContact O-N 3.49Å; V208-V210 VanDerWaalsContact C-N 3.33Å; V208-V210 PolarHBondContact O-N 3.4Å; V210-E212 PolarHBondContact O-N 3.09Å; V210-T213 PolarHBondContact O-N 2.98Å; V210-T213 VanDerWaalsContact O-N 3.12Å; V210-T213 PolarHBondContact O-OG1 2.98Å; V210-F214 HydrophobicContact CG1-CD2 4.16Å; V210-F214 PolarHBondContact O-N 3.35Å
211	C	60.9	Low	73.5	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.007	26%	0.256	C	S	.	.	H	α-helix	trans	-58.6	-35.2	174.8	-62.7	0	0	0	0	112.7	E207 V208 T213 F214 K215 Q217 Y219	E207-C211 PolarHBondContact O-N 3.23Å; E207-C211 PolarHBondContact O-SG 2.97Å; V208-C211 WeakPolarHBondContact O-CB 3.46Å; V208-C211 PolarHBondContact O-N 3.27Å; C211-T213 VanDerWaalsContact C-N 3.3Å; C211-T213 PolarHBondContact O-N 3.17Å; C211-F214 CarbonylContact O-C 3.22Å; C211-F214 PolarHBondContact O-N 2.96Å; C211-K215 PolarHBondContact O-N 3.47Å; C211-Q217 PolarHBondContact SG-O 3.49Å; C211-Y219 HydrophobicContact CB-CD1 4.46Å; C211-Y219 WeakPolarHBondContact SG-CD1 3.5Å
212	E	57.3	Low	74.1	Confident	75 Å²	75	51.7 Å²	51.7	35%	0.35	26%	0.26	S	S	.	.	H	α-helix	trans	-58.1	-45	176	-168.1	-171.9	-179	0	0	110.9	F197 M209 V210	F197-E212 HydrophobicContact CB-CB 4.43Å; F197-E212 HydrophobicContact CB-CG 4.09Å; F197-E212 HydrophobicContact CD2-CB 3.68Å; F197-E212 HydrophobicContact CD2-CG 3.55Å; F197-E212 WeakPolarHBondContact CD2-OE2 3.29Å; F197-E212 HydrophobicContact CE2-CB 4.29Å; F197-E212 HydrophobicContact CE2-CG 4.06Å; F197-E212 WeakPolarHBondContact CE2-OE2 3.3Å; F197-E212 HydrophobicContact CG-CB 4.34Å; F197-E212 HydrophobicContact CG-CG 3.86Å; M209-E212 WeakPolarHBondContact O-CB 3.47Å; V210-E212 PolarHBondContact O-N 3.09Å
213	T	51.4	Low	74.3	Confident	84 Å²	84	49.7 Å²	49.7	52%	0.515	25%	0.253	S	S	.	.	H	α-helix	trans	-78.5	-30.7	179.1	50.8	0	0	0	0	113.7	V210 C211	V210-T213 PolarHBondContact O-N 2.98Å; V210-T213 VanDerWaalsContact O-N 3.12Å; V210-T213 PolarHBondContact O-OG1 2.98Å; C211-T213 VanDerWaalsContact C-N 3.3Å; C211-T213 PolarHBondContact O-N 3.17Å
214	F	52.9	Low	74.3	Confident	135 Å²	135	48.4 Å²	48.4	59%	0.592	25%	0.248	S	C	*	.			trans	-136.2	91.4	-177.9	-60.7	-81.3	0	0	0	110.4	V210 C211 E216 Q217	V210-F214 HydrophobicContact CG1-CD2 4.16Å; V210-F214 PolarHBondContact O-N 3.35Å; C211-F214 CarbonylContact O-C 3.22Å; C211-F214 PolarHBondContact O-N 2.96Å; F214-E216 PolarHBondContact O-N 3.23Å; F214-Q217 HydrophobicContact CB-CG 4.36Å; F214-Q217 PolarHBondContact O-N 3.42Å; F214-Q217 VanDerWaalsContact O-N 3.08Å
215	K	49.4	Very low	74.7	Confident	161 Å²	161	48 Å²	48	70%	0.7	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-11	-178.6	-65.6	-174.7	179.4	-176.3	0	114.5	T195 C211	T195-K215 WeakPolarHBondContact CG2-O 3.44Å; C211-K215 PolarHBondContact O-N 3.47Å
216	E	47.4	Very low	74.9	Confident	185 Å²	185	48.1 Å²	48.1	86%	0.864	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.2	0.8	178.5	-61.5	-175.2	177.1	0	0	114.1	F214 P218	F214-E216 PolarHBondContact O-N 3.23Å; E216-P218 WeakPolarHBondContact O-CD 3.38Å
217	Q	52.7	Low	75.2	Confident	111 Å²	111	47.9 Å²	47.9	52%	0.519	25%	0.245	S	C	.	.	S	Bend	trans	-110.8	79.2	-176	-81.4	-104.6	5.7	0	0	111.5	C211 F214	C211-Q217 PolarHBondContact SG-O 3.49Å; F214-Q217 HydrophobicContact CB-CG 4.36Å; F214-Q217 PolarHBondContact O-N 3.42Å; F214-Q217 VanDerWaalsContact O-N 3.08Å
218	P	60.4	Low	75.7	Confident	28 Å²	28	46.6 Å²	46.6	18%	0.182	24%	0.239	C	C	.	.			trans	-81.8	153.6	-164.8	35.9	-43	0	0	0	112.6	R193 R194 T195 E216	R193-P218 HydrophobicContact CB-CB 3.17Å; R193-P218 HydrophobicContact CB-CG 3.18Å; R193-P218 HydrophobicContact CG-CB 4.42Å; R193-P218 HydrophobicContact CG-CG 4.07Å; R193-P218 PolarHBondContact NE-O 3.34Å; R193-P218 PolarHBondContact NH2-O 3.06Å; R194-P218 CarbonylContact O-C 3.49Å; R194-P218 WeakPolarHBondContact O-CA 3.45Å; R194-P218 WeakPolarHBondContact O-CB 3.39Å; T195-P218 HydrophobicContact CG2-CB 4.31Å; E216-P218 WeakPolarHBondContact O-CD 3.38Å
219	Y	73.5	Confident	76.3	Confident	6 Å²	6	46.1 Å²	46.1	2%	0.024	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-107.1	165.7	-176.1	65.3	-83.3	0	0	0	114.1	R161 R193 R194 V208 C211 C223	R161-Y219 WeakPolarHBondContact CD-OH 3.49Å; R161-Y219 HydrophobicContact CG-CE2 4.42Å; R161-Y219 PolarHBondContact NH1-OH 3.37Å; R193-Y219 WeakPolarHBondContact CA-O 3.21Å; R194-Y219 HydrophobicContact CB-CD1 4.43Å; R194-Y219 HydrophobicContact CB-CE1 4.02Å; R194-Y219 PolarHBondContact N-O 3.39Å; R194-Y219 WeakPolarHBondContact O-CD1 3.46Å; R194-Y219 PolarHBondContact O-N 3.37Å; R194-Y219 VanDerWaalsContact O-N 3.16Å; V208-Y219 HydrophobicContact CG1-CE1 4.2Å; V208-Y219 HydrophobicContact CG2-CD1 4.32Å; V208-Y219 HydrophobicContact CG2-CD2 3.84Å; V208-Y219 HydrophobicContact CG2-CE1 4.49Å; V208-Y219 HydrophobicContact CG2-CE2 4.06Å; V208-Y219 HydrophobicContact CG2-CG 3.98Å; C211-Y219 HydrophobicContact CB-CD1 4.46Å; C211-Y219 WeakPolarHBondContact SG-CD1 3.5Å; Y219-C223 HydrophobicContact CD2-CB 4.14Å
220	G	83.4	Confident	77	Confident	36 Å²	36	46.3 Å²	46.3	37%	0.371	24%	0.237	S	C	.	.			trans	-124.1	-176.8	180	0	0	0	0	0	113.2	K222 C223	G220-K222 PolarHBondContact O-N 3.42Å; G220-C223 PolarHBondContact O-N 2.9Å; G220-C223 PolarHBondContact O-SG 3.47Å; G220-C223 VanDerWaalsContact O-SG 3.36Å
221	S	90.7	Very high	78.3	Confident	39 Å²	39	44.2 Å²	44.2	27%	0.273	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-19.4	-170.2	67.1	0	0	0	0	115.6	H154 C223 D224	H154-S221 PolarHBondContact CE1-O 3.36Å; H154-S221 PolarHBondContact ND1-OG 3.45Å; H154-S221 PolarHBondContact NE2-O 3.05Å; S221-C223 PolarHBondContact O-N 3.02Å; S221-C223 VanDerWaalsContact O-N 3.12Å; S221-D224 PolarHBondContact O-N 3.24Å; S221-D224 VanDerWaalsContact O-N 3.12Å
222	K	94.5	Very high	80	Confident	54 Å²	54	44.2 Å²	44.2	24%	0.235	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-13.4	177.3	-72.9	-172.5	179.1	177.8	0	114.2	G220 D224 I225 W226 P283 R286	G220-K222 PolarHBondContact O-N 3.42Å; K222-D224 PolarHBondContact O-N 3.35Å; K222-I225 WeakPolarHBondContact O-CB 3.44Å; K222-I225 PolarHBondContact O-N 3.46Å; K222-I225 VanDerWaalsContact O-N 3.08Å; K222-W226 PolarHBondContact O-N 2.86Å; K222-P283 HydrophobicContact CB-CB 4.46Å; K222-P283 WeakPolarHBondContact CD-O 3.35Å; K222-P283 PolarHBondContact NZ-O 3.3Å; K222-P283 VanDerWaalsContact NZ-O 3.12Å; K222-R286 HydrophobicContact CD-CB 4.41Å; K222-R286 WeakPolarHBondContact CD-O 3.24Å; K222-R286 WeakPolarHBondContact CE-O 3.35Å; K222-R286 PolarHBondContact NZ-O 3.49Å; K222-R286 PolarHBondContact O-NH1 3.42Å
223	C	92.9	Very high	81.8	Confident	3 Å²	3	40.6 Å²	40.6	2%	0.02	21%	0.208	C	C	.	.	H	α-helix	trans	-58.5	-36.9	170.4	63.1	0	0	0	0	111.9	I159 A205 E207 V208 Y219 G220 S221 I225 W226 S227	I159-C223 WeakPolarHBondContact CG2-SG 3.02Å; A205-C223 HydrophobicContact CB-CB 3.94Å; E207-C223 WeakPolarHBondContact OE1-CA 3.3Å; V208-C223 HydrophobicContact CG2-CB 3.55Å; Y219-C223 HydrophobicContact CD2-CB 4.14Å; G220-C223 PolarHBondContact O-N 2.9Å; G220-C223 PolarHBondContact O-SG 3.47Å; G220-C223 VanDerWaalsContact O-SG 3.36Å; S221-C223 PolarHBondContact O-N 3.02Å; S221-C223 VanDerWaalsContact O-N 3.12Å; C223-I225 PolarHBondContact O-N 3.32Å; C223-W226 WeakPolarHBondContact O-CB 3.46Å; C223-W226 PolarHBondContact O-N 3.49Å; C223-W226 VanDerWaalsContact O-N 3.15Å; C223-S227 PolarHBondContact O-N 3.32Å; C223-S227 VanDerWaalsContact O-N 3.09Å; C223-S227 PolarHBondContact O-OG 2.87Å
224	D	95.5	Very high	83.9	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-64.5	-28.5	177	-64.3	-24.3	0	0	0	111.7	L150 H154 I159 H160 R161 S221 K222 S227 L228	L150-D224 HydrophobicContact CD2-CB 3.84Å; H154-D224 IonicContact CD2-OD2 2.74Å; H154-D224 IonicContact NE2-OD2 3.98Å; H154-D224 PolarHBondContact NE2-OD2 3.23Å; I159-D224 WeakPolarHBondContact CG2-OD2 3.36Å; H160-D224 PolarHBondContact N-OD1 3.43Å; H160-D224 PolarHBondContact N-OD2 3.03Å; R161-D224 PolarHBondContact N-OD1 3.11Å; S221-D224 PolarHBondContact O-N 3.24Å; S221-D224 VanDerWaalsContact O-N 3.12Å; K222-D224 PolarHBondContact O-N 3.35Å; D224-S227 PolarHBondContact O-N 2.97Å; D224-L228 WeakPolarHBondContact O-CB 3.35Å; D224-L228 PolarHBondContact O-N 3.4Å
225	I	97.9	Very high	86	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-70.4	-35.7	177.3	-54	-58.9	0	0	0	111.4	L150 K222 C223 G229 C278 R286 A289 L292	L150-I225 HydrophobicContact CD1-CD1 4.17Å; K222-I225 WeakPolarHBondContact O-CB 3.44Å; K222-I225 PolarHBondContact O-N 3.46Å; K222-I225 VanDerWaalsContact O-N 3.08Å; C223-I225 PolarHBondContact O-N 3.32Å; I225-G229 PolarHBondContact O-N 2.91Å; I225-G229 VanDerWaalsContact O-N 3.15Å; I225-C278 HydrophobicContact CG2-CB 4.28Å; I225-R286 HydrophobicContact CB-CG 4.44Å; I225-R286 HydrophobicContact CG2-CG 4.02Å; I225-A289 HydrophobicContact CD1-CB 4.04Å; I225-L292 HydrophobicContact CD1-CD1 4.16Å; I225-L292 HydrophobicContact CG2-CD1 3.59Å
226	W	97.3	Very high	88	Confident	2 Å²	2	23.5 Å²	23.5	1%	0.008	13%	0.127	C	C	.	.	H	α-helix	trans	-66	-47.6	170.8	175.1	-78.9	0	0	0	110.6	M204 A205 P206 K222 C223 L228 G229 I230 V254 P259 L279 K281	M204-W226 PolarHBondContact O-NE1 3.34Å; M204-W226 VanDerWaalsContact O-NE1 3.16Å; A205-W226 VanDerWaalsContact CA-CD1 3.41Å; A205-W226 HydrophobicContact CB-CB 3.62Å; A205-W226 HydrophobicContact CB-CD2 4.4Å; A205-W226 HydrophobicContact CB-CG 3.68Å; P206-W226 HydrophobicContact CG-CD2 4.38Å; P206-W226 HydrophobicContact CG-CE3 4.18Å; P206-W226 HydrophobicContact CG-CH2 3.7Å; P206-W226 HydrophobicContact CG-CZ2 3.91Å; P206-W226 HydrophobicContact CG-CZ3 3.84Å; K222-W226 PolarHBondContact O-N 2.86Å; C223-W226 WeakPolarHBondContact O-CB 3.46Å; C223-W226 PolarHBondContact O-N 3.49Å; C223-W226 VanDerWaalsContact O-N 3.15Å; W226-L228 PolarHBondContact O-N 3.5Å; W226-G229 WeakPolarHBondContact O-CA 3.33Å; W226-G229 PolarHBondContact O-N 2.9Å; W226-I230 PolarHBondContact O-N 3.21Å; W226-V254 HydrophobicContact CH2-CG1 4.49Å; W226-V254 HydrophobicContact CZ2-CG1 3.9Å; W226-P259 HydrophobicContact CH2-CB 4.23Å; W226-P259 HydrophobicContact CZ3-CB 4.46Å; W226-L279 HydrophobicContact CD2-CD2 4.02Å; W226-L279 HydrophobicContact CE3-CD2 4.19Å; W226-L279 HydrophobicContact CG-CD2 4.44Å; W226-L279 HydrophobicContact CZ3-CB 4.49Å; W226-K281 HydrophobicContact CH2-CG 4.5Å; W226-K281 HydrophobicContact CZ3-CG 4.34Å
227	S	96.5	Very high	90.1	Very high	6 Å²	6	17.6 Å²	17.6	4%	0.042	10%	0.1	C	C	.	.	H	α-helix	trans	-57.5	-39.6	177.5	-57.6	0	0	0	0	111.2	W203 C223 D224 G229 I230 T231	W203-S227 WeakPolarHBondContact O-CA 3.4Å; W203-S227 WeakPolarHBondContact O-CB 3.45Å; W203-S227 PolarHBondContact O-OG 3.19Å; C223-S227 PolarHBondContact O-N 3.32Å; C223-S227 VanDerWaalsContact O-N 3.09Å; C223-S227 PolarHBondContact O-OG 2.87Å; D224-S227 PolarHBondContact O-N 2.97Å; S227-G229 PolarHBondContact O-N 3.25Å; S227-I230 PolarHBondContact O-N 2.94Å; S227-I230 VanDerWaalsContact O-N 3.14Å; S227-T231 WeakPolarHBondContact O-CB 3.49Å; S227-T231 PolarHBondContact O-N 2.91Å; S227-T231 PolarHBondContact O-OG1 3.06Å
228	L	97.8	Very high	91.8	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-57.2	-48.1	172.6	176.3	65.9	0	0	0	111	L146 L150 L163 D224 W226 I230 T231 L232 F274 L292	L146-L228 HydrophobicContact CB-CD1 4.08Å; L146-L228 HydrophobicContact CD1-CD1 3.86Å; L150-L228 HydrophobicContact CD1-CB 4.3Å; L150-L228 HydrophobicContact CD1-CD2 4.12Å; L163-L228 HydrophobicContact CD2-CB 3.66Å; L163-L228 HydrophobicContact CD2-CD1 4.23Å; D224-L228 WeakPolarHBondContact O-CB 3.35Å; D224-L228 PolarHBondContact O-N 3.4Å; W226-L228 PolarHBondContact O-N 3.5Å; L228-I230 VanDerWaalsContact C-N 3.29Å; L228-I230 PolarHBondContact O-N 2.87Å; L228-T231 PolarHBondContact O-N 3.32Å; L228-L232 HydrophobicContact CD1-CD1 4.22Å; L228-L232 HydrophobicContact CD1-CG 4.16Å; L228-L232 HydrophobicContact CG-CD1 4.02Å; L228-L232 HydrophobicContact CG-CG 4.38Å; L228-L232 WeakPolarHBondContact O-CB 3.28Å; L228-L232 WeakPolarHBondContact O-CG 3.44Å; L228-L232 PolarHBondContact O-N 3.18Å; L228-F274 HydrophobicContact CD2-CE1 4.46Å; L228-L292 HydrophobicContact CD2-CD1 4.2Å
229	G	97.3	Very high	93.2	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-57.8	-40.3	176.5	0	0	0	0	0	113.1	I225 W226 S227 I233 L275	I225-G229 PolarHBondContact O-N 2.91Å; I225-G229 VanDerWaalsContact O-N 3.15Å; W226-G229 WeakPolarHBondContact O-CA 3.33Å; W226-G229 PolarHBondContact O-N 2.9Å; S227-G229 PolarHBondContact O-N 3.25Å; G229-I233 PolarHBondContact O-N 2.78Å; G229-L275 WeakPolarHBondContact O-CD2 3.37Å
230	I	97.3	Very high	94.1	Very high	3 Å²	3	18.5 Å²	18.5	2%	0.015	10%	0.103	C	C	.	.	H	α-helix	trans	-69.3	-45.6	176.1	-59.5	-59.4	0	0	0	111.5	W203 W226 S227 L228 L232 I233 E234 P240 P241 P260 L279	W203-I230 HydrophobicContact CB-CG2 4.33Å; W203-I230 HydrophobicContact CG-CB 4.46Å; W203-I230 HydrophobicContact CG-CG2 3.92Å; W226-I230 PolarHBondContact O-N 3.21Å; S227-I230 PolarHBondContact O-N 2.94Å; S227-I230 VanDerWaalsContact O-N 3.14Å; L228-I230 VanDerWaalsContact C-N 3.29Å; L228-I230 PolarHBondContact O-N 2.87Å; I230-L232 PolarHBondContact O-N 2.95Å; I230-I233 WeakPolarHBondContact O-CB 3.48Å; I230-I233 PolarHBondContact O-N 3.25Å; I230-I233 VanDerWaalsContact O-N 3.11Å; I230-E234 PolarHBondContact O-N 3.45Å; I230-P240 HydrophobicContact CG2-CB 4Å; I230-P241 HydrophobicContact CD1-CG 4.2Å; I230-P260 HydrophobicContact CD1-CG 3.52Å; I230-L279 HydrophobicContact CD1-CD2 3.76Å; I230-L279 HydrophobicContact CG1-CD2 4.11Å
231	T	97.5	Very high	94.5	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-58.1	-39.5	176.1	-55.1	0	0	0	0	111.2	L163 K164 A165 I168 S227 L228 I233 E234 L235	L163-T231 PolarHBondContact O-OG1 3.19Å; K164-T231 WeakPolarHBondContact CA-OG1 3.33Å; A165-T231 HydrophobicContact CB-CG2 4.45Å; I168-T231 HydrophobicContact CD1-CG2 3.58Å; S227-T231 WeakPolarHBondContact O-CB 3.49Å; S227-T231 PolarHBondContact O-N 2.91Å; S227-T231 PolarHBondContact O-OG1 3.06Å; L228-T231 PolarHBondContact O-N 3.32Å; T231-I233 PolarHBondContact O-N 2.83Å; T231-E234 CarbonylContact O-C 3.48Å; T231-E234 WeakPolarHBondContact O-CB 3.22Å; T231-E234 PolarHBondContact O-N 2.96Å; T231-L235 HydrophobicContact CG2-CG 4.49Å; T231-L235 VanDerWaalsContact O-CG 3.31Å; T231-L235 WeakPolarHBondContact O-CG 3.39Å; T231-L235 PolarHBondContact O-N 3.22Å
232	L	97	Very high	94.4	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-64.8	-37.9	177.1	-72	173.4	0	0	0	112.4	I139 C143 L228 I230 L235 A236 F271 F274 L275	I139-L232 HydrophobicContact CG2-CD2 3.79Å; C143-L232 HydrophobicContact CB-CD2 3.77Å; L228-L232 HydrophobicContact CD1-CD1 4.22Å; L228-L232 HydrophobicContact CD1-CG 4.16Å; L228-L232 HydrophobicContact CG-CD1 4.02Å; L228-L232 HydrophobicContact CG-CG 4.38Å; L228-L232 WeakPolarHBondContact O-CB 3.28Å; L228-L232 WeakPolarHBondContact O-CG 3.44Å; L228-L232 PolarHBondContact O-N 3.18Å; I230-L232 PolarHBondContact O-N 2.95Å; L232-L235 HydrophobicContact CD2-CD1 4.4Å; L232-L235 PolarHBondContact O-N 2.86Å; L232-A236 PolarHBondContact O-N 3.15Å; L232-F271 HydrophobicContact CB-CE2 3.79Å; L232-F271 HydrophobicContact CB-CZ 3.77Å; L232-F271 HydrophobicContact CD1-CE2 4.28Å; L232-F271 HydrophobicContact CD2-CE2 4.33Å; L232-F271 HydrophobicContact CG-CE2 4.35Å; L232-F271 WeakPolarHBondContact O-CZ 3.42Å; L232-F274 HydrophobicContact CD1-CD1 3.86Å; L232-F274 HydrophobicContact CD1-CE1 3.63Å; L232-L275 HydrophobicContact CB-CD2 3.74Å; L232-L275 HydrophobicContact CD1-CD2 4.16Å
233	I	95	Very high	93.9	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-63.7	-45.4	171.2	-66.4	170.7	0	0	0	110.2	G229 I230 T231 L235 A236 E237 P241 P260 L262 L275 L279	G229-I233 PolarHBondContact O-N 2.78Å; I230-I233 WeakPolarHBondContact O-CB 3.48Å; I230-I233 PolarHBondContact O-N 3.25Å; I230-I233 VanDerWaalsContact O-N 3.11Å; T231-I233 PolarHBondContact O-N 2.83Å; I233-L235 VanDerWaalsContact C-N 3.3Å; I233-L235 PolarHBondContact O-N 3.17Å; I233-A236 CarbonylContact O-C 3.58Å; I233-A236 PolarHBondContact O-N 2.98Å; I233-E237 HydrophobicContact CG2-CG 4.34Å; I233-E237 WeakPolarHBondContact O-CB 3.35Å; I233-E237 PolarHBondContact O-N 3.49Å; I233-P241 HydrophobicContact CB-CG 4.37Å; I233-P241 HydrophobicContact CD1-CG 4Å; I233-P241 HydrophobicContact CG2-CG 3.92Å; I233-P260 HydrophobicContact CD1-CB 4.43Å; I233-L262 HydrophobicContact CB-CD2 4.38Å; I233-L262 HydrophobicContact CG1-CD2 4.02Å; I233-L262 HydrophobicContact CG2-CD2 4.2Å; I233-L275 HydrophobicContact CG1-CD1 3.98Å; I233-L275 HydrophobicContact CG1-CD2 4.25Å; I233-L279 HydrophobicContact CD1-CD1 3.7Å
234	E	95.8	Very high	93.4	Very high	13 Å²	13	28.5 Å²	28.5	6%	0.061	14%	0.135	C	C	.	.	H	α-helix	trans	-55.8	-42.2	174.8	170.1	-168.1	-158.2	0	0	111.8	M127 A165 W203 I230 T231 A236 E237 M238	M127-E234 HydrophobicContact CE-CG 4.44Å; A165-E234 HydrophobicContact CB-CG 4.02Å; A165-E234 VanDerWaalsContact CB-OE1 3.3Å; A165-E234 WeakPolarHBondContact CB-OE1 3.44Å; A165-E234 WeakPolarHBondContact CB-OE2 3.46Å; A165-E234 PolarHBondContact N-OE2 3.06Å; W203-E234 WeakPolarHBondContact CZ2-OE1 3.35Å; W203-E234 PolarHBondContact NE1-OE2 3.4Å; I230-E234 PolarHBondContact O-N 3.45Å; T231-E234 CarbonylContact O-C 3.48Å; T231-E234 WeakPolarHBondContact O-CB 3.22Å; T231-E234 PolarHBondContact O-N 2.96Å; E234-A236 VanDerWaalsContact C-N 3.27Å; E234-A236 PolarHBondContact O-N 3.4Å; E234-E237 PolarHBondContact O-N 3.45Å; E234-M238 CarbonylContact O-C 3.57Å; E234-M238 WeakPolarHBondContact O-CA 3.34Å; E234-M238 PolarHBondContact O-N 3.37Å
235	L	95.7	Very high	92.7	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-65	-30.4	175.9	-64.9	-175.4	0	0	0	113.2	V123 M127 P133 L134 I139 V142 A165 T231 L232 I233	V123-L235 HydrophobicContact CB-CD2 4.31Å; V123-L235 HydrophobicContact CG1-CD2 3.4Å; M127-L235 HydrophobicContact CE-CD2 4.07Å; M127-L235 HydrophobicContact SD-CD2 4.32Å; P133-L235 WeakPolarHBondContact CB-O 3.42Å; L134-L235 HydrophobicContact CD2-CD1 4.37Å; L134-L235 HydrophobicContact CD2-CD2 4.33Å; L134-L235 PolarHBondContact N-O 2.89Å; I139-L235 HydrophobicContact CD1-CB 4.31Å; I139-L235 HydrophobicContact CG1-CB 4.05Å; V142-L235 HydrophobicContact CB-CD1 4.5Å; V142-L235 HydrophobicContact CG1-CD1 3.95Å; A165-L235 HydrophobicContact CB-CD2 3.74Å; T231-L235 HydrophobicContact CG2-CG 4.49Å; T231-L235 VanDerWaalsContact O-CG 3.31Å; T231-L235 WeakPolarHBondContact O-CG 3.39Å; T231-L235 PolarHBondContact O-N 3.22Å; L232-L235 HydrophobicContact CD2-CD1 4.4Å; L232-L235 PolarHBondContact O-N 2.86Å; I233-L235 VanDerWaalsContact C-N 3.3Å; I233-L235 PolarHBondContact O-N 3.17Å
236	A	92.3	Very high	91.6	Very high	7 Å²	7	34 Å²	34	6%	0.058	17%	0.168	C	C	.	.	H	α-helix	trans	-86.4	-28.6	-179	0	0	0	0	0	113.5	P133 I139 L232 I233 E234 L262 W268 F271	P133-A236 WeakPolarHBondContact CB-O 3.34Å; I139-A236 HydrophobicContact CD1-CB 3.8Å; L232-A236 PolarHBondContact O-N 3.15Å; I233-A236 CarbonylContact O-C 3.58Å; I233-A236 PolarHBondContact O-N 2.98Å; E234-A236 VanDerWaalsContact C-N 3.27Å; E234-A236 PolarHBondContact O-N 3.4Å; A236-L262 HydrophobicContact CB-CD2 3.93Å; A236-W268 HydrophobicContact CB-CH2 3.91Å; A236-W268 HydrophobicContact CB-CZ2 3.74Å; A236-F271 HydrophobicContact CB-CE1 3.83Å; A236-F271 HydrophobicContact CB-CZ 4.38Å
237	E	90.3	Very high	90.6	Very high	61 Å²	61	36.9 Å²	36.9	29%	0.285	19%	0.187	S	C	.	.	H	α-helix	trans	-121.9	5.9	-171.1	-57.8	-167.8	161.1	0	0	113.3	I233 E234 E239 L262 C263	I233-E237 HydrophobicContact CG2-CG 4.34Å; I233-E237 WeakPolarHBondContact O-CB 3.35Å; I233-E237 PolarHBondContact O-N 3.49Å; E234-E237 PolarHBondContact O-N 3.45Å; E237-E239 PolarHBondContact O-N 3.26Å; E237-L262 HydrophobicContact CG-CD2 4.17Å; E237-L262 WeakPolarHBondContact OE1-CA 3.41Å; E237-C263 WeakPolarHBondContact OE1-CB 3.35Å; E237-C263 PolarHBondContact OE1-N 3.19Å; E237-C263 PolarHBondContact OE2-SG 3.5Å; E237-C263 VanDerWaalsContact OE2-SG 3.36Å
238	M	89.1	Confident	89.7	Confident	62 Å²	62	42.1 Å²	42.1	31%	0.305	21%	0.212	S	C	.	.	S	Bend	trans	66.7	-19.3	-176.7	-56.5	-174.6	67.6	0	0	116.3	M127 P133 E234	M127-M238 HydrophobicContact CB-CE 4.23Å; M127-M238 VanDerWaalsContact O-CE 3.32Å; M127-M238 WeakPolarHBondContact O-CE 3.42Å; P133-M238 HydrophobicContact CB-CG 3.85Å; P133-M238 HydrophobicContact CG-CG 4.4Å; E234-M238 CarbonylContact O-C 3.57Å; E234-M238 WeakPolarHBondContact O-CA 3.34Å; E234-M238 PolarHBondContact O-N 3.37Å
239	E	90.7	Very high	89	Confident	98 Å²	98	50.2 Å²	50.2	46%	0.458	24%	0.243	S	C	.	.	S	Bend	trans	-135.8	149.2	-177.4	-67.1	-73.5	173	0	0	109.7	E237 H243	E237-E239 PolarHBondContact O-N 3.26Å; E239-H243 HydrophobicContact CB-CB 4.21Å; E239-H243 WeakPolarHBondContact CB-ND1 3.35Å; E239-H243 IonicContact OE2-CG 3.48Å
240	P	92.4	Very high	88.4	Confident	5 Å²	5	50.2 Å²	50.2	3%	0.032	24%	0.243	C	C	.	.			trans	-68.6	160.2	174.4	32	-37.7	0	0	0	111.3	Y202 W203 I230 Y242 H243	Y202-P240 HydrophobicContact CG-CG 4.44Å; W203-P240 HydrophobicContact CH2-CB 4.45Å; W203-P240 HydrophobicContact CH2-CG 3.73Å; W203-P240 HydrophobicContact CZ2-CB 3.92Å; W203-P240 HydrophobicContact CZ2-CG 3.58Å; W203-P240 HydrophobicContact CZ3-CG 4.33Å; I230-P240 HydrophobicContact CG2-CB 4Å; P240-Y242 PolarHBondContact O-N 3.34Å; P240-H243 HydrophobicContact CG-CB 4.09Å; P240-H243 WeakPolarHBondContact O-CB 3.47Å; P240-H243 PolarHBondContact O-N 2.96Å; P240-H243 PolarHBondContact O-ND1 3.06Å
241	P	90.8	Very high	87.7	Confident	18 Å²	18	50.6 Å²	50.6	12%	0.117	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	137.5	170	-23.8	35	0	0	0	111.3	I230 I233 H243 P260	I230-P241 HydrophobicContact CD1-CG 4.2Å; I233-P241 HydrophobicContact CB-CG 4.37Å; I233-P241 HydrophobicContact CD1-CG 4Å; I233-P241 HydrophobicContact CG2-CG 3.92Å; P241-H243 VanDerWaalsContact C-N 3.27Å; P241-H243 PolarHBondContact O-N 3.18Å; P241-P260 HydrophobicContact CB-CB 3.73Å; P241-P260 HydrophobicContact CB-CG 4.27Å; P241-P260 HydrophobicContact CG-CB 3.71Å; P241-P260 HydrophobicContact CG-CG 4.04Å
242	Y	88.6	Confident	87	Confident	64 Å²	64	55.8 Å²	55.8	25%	0.251	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.3	19.4	177.2	-41.5	-56.3	0	0	0	115.6	Y202 P240 E244 M245 V250 K253 V254	Y202-Y242 WeakPolarHBondContact CE1-O 3.42Å; P240-Y242 PolarHBondContact O-N 3.34Å; Y242-E244 PolarHBondContact O-N 3.45Å; Y242-E244 VanDerWaalsContact O-N 3.09Å; Y242-M245 HydrophobicContact CD1-SD 3.8Å; Y242-M245 HydrophobicContact CG-SD 4.01Å; Y242-M245 WeakPolarHBondContact O-CB 3.32Å; Y242-M245 PolarHBondContact O-N 2.96Å; Y242-V250 HydrophobicContact CD2-CG1 4.32Å; Y242-K253 HydrophobicContact CD1-CG 4.33Å; Y242-K253 HydrophobicContact CD2-CG 4.37Å; Y242-K253 HydrophobicContact CE1-CG 3.97Å; Y242-K253 HydrophobicContact CE2-CG 3.97Å; Y242-V254 HydrophobicContact CD2-CG2 4.48Å; Y242-V254 HydrophobicContact CE2-CG2 4.32Å
243	H	84.5	Confident	86.5	Confident	83 Å²	83	59.5 Å²	59.5	38%	0.384	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-33	178.7	68	-87.8	0	0	0	113.9	E239 P240 P241 M245	E239-H243 HydrophobicContact CB-CB 4.21Å; E239-H243 WeakPolarHBondContact CB-ND1 3.35Å; E239-H243 IonicContact OE2-CG 3.48Å; P240-H243 HydrophobicContact CG-CB 4.09Å; P240-H243 WeakPolarHBondContact O-CB 3.47Å; P240-H243 PolarHBondContact O-N 2.96Å; P240-H243 PolarHBondContact O-ND1 3.06Å; P241-H243 VanDerWaalsContact C-N 3.27Å; P241-H243 PolarHBondContact O-N 3.18Å; H243-M245 VanDerWaalsContact C-N 3.29Å; H243-M245 PolarHBondContact O-N 3.3Å
244	E	81.7	Confident	86.2	Confident	176 Å²	176	60 Å²	60	82%	0.822	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-15.5	176.8	-55.4	-171.3	146.5	0	0	114.2	Y242	Y242-E244 PolarHBondContact O-N 3.45Å; Y242-E244 VanDerWaalsContact O-N 3.09Å
245	M	81.3	Confident	85.7	Confident	56 Å²	56	62.1 Å²	62.1	28%	0.276	30%	0.297	S	S	.	.	S	Bend	trans	-83.1	144.7	-179.3	-64.4	-179	57.6	0	0	110.9	Y202 Y242 H243 R249 V250 K253	Y202-M245 WeakPolarHBondContact CE1-O 3.4Å; Y202-M245 PolarHBondContact OH-O 3Å; Y242-M245 HydrophobicContact CD1-SD 3.8Å; Y242-M245 HydrophobicContact CG-SD 4.01Å; Y242-M245 WeakPolarHBondContact O-CB 3.32Å; Y242-M245 PolarHBondContact O-N 2.96Å; H243-M245 VanDerWaalsContact C-N 3.29Å; H243-M245 PolarHBondContact O-N 3.3Å; M245-R249 HydrophobicContact CE-CB 3.57Å; M245-V250 HydrophobicContact CB-CG2 3.77Å; M245-K253 HydrophobicContact CE-CB 4.1Å; M245-K253 HydrophobicContact CE-CG 4.36Å
246	S	74.3	Confident	85.2	Confident	59 Å²	59	70.1 Å²	70.1	41%	0.413	33%	0.332	S	S	.	.			trans	-59.3	141.4	170.2	62.3	0	0	0	0	110.7	M248 R249 V250	S246-M248 VanDerWaalsContact C-N 3.34Å; S246-M248 PolarHBondContact O-N 3.45Å; S246-M248 VanDerWaalsContact O-N 3.12Å; S246-R249 WeakPolarHBondContact O-CB 3.49Å; S246-R249 PolarHBondContact O-N 3.29Å; S246-R249 VanDerWaalsContact OG-CG 3.3Å; S246-R249 WeakPolarHBondContact OG-CG 3.27Å; S246-V250 PolarHBondContact O-N 3.02Å
247	P	77.7	Confident	85	Confident	64 Å²	64	71.1 Å²	71.1	42%	0.416	34%	0.339	S	S	.	.	H	α-helix	trans	-42.3	-50.7	-179.3	-37.1	39.4	0	0	0	115.6	P201 Y202 R249 V250 V251	P201-P247 HydrophobicContact CB-CB 4.49Å; P201-P247 HydrophobicContact CG-CB 3.73Å; P201-P247 HydrophobicContact CG-CG 4.27Å; Y202-P247 WeakPolarHBondContact OH-CD 3.28Å; P247-R249 VanDerWaalsContact C-N 3.29Å; P247-R249 PolarHBondContact O-N 3.47Å; P247-V250 WeakPolarHBondContact O-CB 3.29Å; P247-V250 PolarHBondContact O-N 3.18Å; P247-V250 VanDerWaalsContact O-N 3.08Å; P247-V251 PolarHBondContact O-N 2.97Å
248	M	76.8	Confident	85	Confident	115 Å²	115	74.9 Å²	74.9	57%	0.567	36%	0.361	S	S	*	.	H	α-helix	trans	-62	-32.6	-180	-70	-61.8	-72.5	0	0	113.6	S246 V250 F252	S246-M248 VanDerWaalsContact C-N 3.34Å; S246-M248 PolarHBondContact O-N 3.45Å; S246-M248 VanDerWaalsContact O-N 3.12Å; M248-V250 VanDerWaalsContact C-N 3.35Å; M248-F252 WeakPolarHBondContact O-CD2 3.3Å; M248-F252 PolarHBondContact O-N 2.98Å
249	R	82.2	Confident	85.1	Confident	170 Å²	170	74.3 Å²	74.3	64%	0.642	36%	0.362	S	S	*	.	H	α-helix	trans	-72.4	-31.9	177	-75.4	-176.6	164.3	179.3	-1.7	111.8	M245 S246 P247 F252 K253	M245-R249 HydrophobicContact CE-CB 3.57Å; S246-R249 WeakPolarHBondContact O-CB 3.49Å; S246-R249 PolarHBondContact O-N 3.29Å; S246-R249 VanDerWaalsContact OG-CG 3.3Å; S246-R249 WeakPolarHBondContact OG-CG 3.27Å; P247-R249 VanDerWaalsContact C-N 3.29Å; P247-R249 PolarHBondContact O-N 3.47Å; R249-F252 PolarHBondContact O-N 3.36Å; R249-K253 VanDerWaalsContact O-CB 3.3Å; R249-K253 WeakPolarHBondContact O-CB 3.46Å; R249-K253 PolarHBondContact O-N 3.41Å
250	V	85.4	Confident	85.1	Confident	0 Å²	0	70.4 Å²	70.4	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-63.5	-44.7	175.6	179.6	0	0	0	0	110	Y202 Y242 M245 S246 P247 M248 F252 K253 V254	Y202-V250 HydrophobicContact CD1-CG1 4.42Å; Y202-V250 HydrophobicContact CD1-CG2 3.81Å; Y202-V250 HydrophobicContact CE1-CG2 3.64Å; Y242-V250 HydrophobicContact CD2-CG1 4.32Å; M245-V250 HydrophobicContact CB-CG2 3.77Å; S246-V250 PolarHBondContact O-N 3.02Å; P247-V250 WeakPolarHBondContact O-CB 3.29Å; P247-V250 PolarHBondContact O-N 3.18Å; P247-V250 VanDerWaalsContact O-N 3.08Å; M248-V250 VanDerWaalsContact C-N 3.35Å; V250-F252 VanDerWaalsContact C-N 3.34Å; V250-F252 PolarHBondContact O-N 3.49Å; V250-K253 WeakPolarHBondContact O-CB 3.43Å; V250-K253 PolarHBondContact O-N 3Å; V250-V254 HydrophobicContact CG1-CG2 3.92Å; V250-V254 WeakPolarHBondContact O-CB 3.23Å; V250-V254 WeakPolarHBondContact O-CG2 3.32Å; V250-V254 PolarHBondContact O-N 2.9Å
251	V	82.7	Confident	84.8	Confident	11 Å²	11	73.7 Å²	73.7	7%	0.067	37%	0.365	C	S	.	.	H	α-helix	trans	-51.7	-51.5	176.3	176.4	0	0	0	0	111.5	M209 P247 K253 Q255	M209-V251 HydrophobicContact CB-CG1 4.17Å; M209-V251 HydrophobicContact CE-CG2 4.4Å; M209-V251 HydrophobicContact CG-CG1 4.4Å; M209-V251 HydrophobicContact SD-CB 4.34Å; M209-V251 HydrophobicContact SD-CG1 4.28Å; M209-V251 HydrophobicContact SD-CG2 4.38Å; P247-V251 PolarHBondContact O-N 2.97Å; V251-K253 PolarHBondContact O-N 2.98Å; V251-Q255 WeakPolarHBondContact O-CG 3.46Å; V251-Q255 PolarHBondContact O-N 2.88Å
252	F	83.1	Confident	84.6	Confident	109 Å²	109	73 Å²	73	48%	0.478	36%	0.36	S	S	.	.	H	α-helix	trans	-66.4	-36.8	176.9	-69.6	-65.6	0	0	0	113.5	M248 R249 V250 K256	M248-F252 WeakPolarHBondContact O-CD2 3.3Å; M248-F252 PolarHBondContact O-N 2.98Å; R249-F252 PolarHBondContact O-N 3.36Å; V250-F252 VanDerWaalsContact C-N 3.34Å; V250-F252 PolarHBondContact O-N 3.49Å; F252-K256 WeakPolarHBondContact O-CB 3.45Å; F252-K256 WeakPolarHBondContact O-CG 3.47Å; F252-K256 PolarHBondContact O-N 2.96Å; F252-K256 VanDerWaalsContact O-N 3.1Å
253	K	86.1	Confident	84.1	Confident	79 Å²	79	75.3 Å²	75.3	34%	0.343	39%	0.385	S	S	.	.	H	α-helix	trans	-66.6	-48.1	-177.7	-176.1	70.6	-176.4	160	0	111.1	Y242 M245 R249 V250 V251 K256 S257	Y242-K253 HydrophobicContact CD1-CG 4.33Å; Y242-K253 HydrophobicContact CD2-CG 4.37Å; Y242-K253 HydrophobicContact CE1-CG 3.97Å; Y242-K253 HydrophobicContact CE2-CG 3.97Å; M245-K253 HydrophobicContact CE-CB 4.1Å; M245-K253 HydrophobicContact CE-CG 4.36Å; R249-K253 VanDerWaalsContact O-CB 3.3Å; R249-K253 WeakPolarHBondContact O-CB 3.46Å; R249-K253 PolarHBondContact O-N 3.41Å; V250-K253 WeakPolarHBondContact O-CB 3.43Å; V250-K253 PolarHBondContact O-N 3Å; V251-K253 PolarHBondContact O-N 2.98Å; K253-K256 PolarHBondContact O-N 3.33Å; K253-S257 VanDerWaalsContact CD-OG 3.23Å; K253-S257 WeakPolarHBondContact CD-OG 3.42Å; K253-S257 WeakPolarHBondContact CE-OG 3.3Å; K253-S257 PolarHBondContact NZ-OG 3.25Å; K253-S257 WeakPolarHBondContact O-CB 3.43Å; K253-S257 PolarHBondContact O-N 3.41Å; K253-S257 PolarHBondContact O-OG 2.84Å; K253-S257 VanDerWaalsContact O-OG 3.08Å
254	V	88.8	Confident	83.7	Confident	11 Å²	11	75.7 Å²	75.7	7%	0.067	39%	0.389	C	S	.	.	H	α-helix	trans	-62	-42.4	179.4	169.3	0	0	0	0	111.2	P206 M209 W226 Y242 V250 K281	P206-V254 HydrophobicContact CB-CG1 4.22Å; P206-V254 HydrophobicContact CG-CG1 3.74Å; M209-V254 HydrophobicContact CE-CB 4.22Å; M209-V254 HydrophobicContact CE-CG1 4.27Å; M209-V254 HydrophobicContact CE-CG2 4.18Å; M209-V254 HydrophobicContact SD-CB 3.89Å; M209-V254 HydrophobicContact SD-CG1 3.83Å; W226-V254 HydrophobicContact CH2-CG1 4.49Å; W226-V254 HydrophobicContact CZ2-CG1 3.9Å; Y242-V254 HydrophobicContact CD2-CG2 4.48Å; Y242-V254 HydrophobicContact CE2-CG2 4.32Å; V250-V254 HydrophobicContact CG1-CG2 3.92Å; V250-V254 WeakPolarHBondContact O-CB 3.23Å; V250-V254 WeakPolarHBondContact O-CG2 3.32Å; V250-V254 PolarHBondContact O-N 2.9Å; V254-K281 WeakPolarHBondContact O-CE 3.04Å; V254-K281 PolarHBondContact O-NZ 3.34Å
255	Q	84.8	Confident	83.3	Confident	57 Å²	57	69.6 Å²	69.6	27%	0.266	37%	0.365	S	S	.	.	H	α-helix	trans	-65.6	-43.2	176.9	-71.4	180	-4.4	0	0	112.3	V251 K281	V251-Q255 WeakPolarHBondContact O-CG 3.46Å; V251-Q255 PolarHBondContact O-N 2.88Å; Q255-K281 PolarHBondContact O-NZ 2.99Å
256	K	85.7	Confident	82.8	Confident	168 Å²	168	71.1 Å²	71.1	73%	0.73	39%	0.387	S	S	*	.	H	α-helix	trans	-92	-28.1	-170.4	-67	-177.5	178.6	-179.5	0	116	F252 K253	F252-K256 WeakPolarHBondContact O-CB 3.45Å; F252-K256 WeakPolarHBondContact O-CG 3.47Å; F252-K256 PolarHBondContact O-N 2.96Å; F252-K256 VanDerWaalsContact O-N 3.1Å; K253-K256 PolarHBondContact O-N 3.33Å
257	S	88.7	Confident	82.8	Confident	28 Å²	28	75 Å²	75	20%	0.196	40%	0.396	C	S	.	.	S	Bend	trans	-99.6	161.5	-174.4	-50.2	0	0	0	0	111.4	K253 K281	K253-S257 VanDerWaalsContact CD-OG 3.23Å; K253-S257 WeakPolarHBondContact CD-OG 3.42Å; K253-S257 WeakPolarHBondContact CE-OG 3.3Å; K253-S257 PolarHBondContact NZ-OG 3.25Å; K253-S257 WeakPolarHBondContact O-CB 3.43Å; K253-S257 PolarHBondContact O-N 3.41Å; K253-S257 PolarHBondContact O-OG 2.84Å; K253-S257 VanDerWaalsContact O-OG 3.08Å; S257-K281 WeakPolarHBondContact O-CE 3.15Å; S257-K281 PolarHBondContact O-NZ 3.49Å
258	D	89.1	Confident	82.6	Confident	140 Å²	140	72.7 Å²	72.7	75%	0.749	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-56.6	155	171.9	-62.2	-40.6	0	0	0	111.8
259	P	91.4	Very high	82	Confident	50 Å²	50	76.8 Å²	76.8	33%	0.325	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-51.3	143.4	176.3	-24.4	32.8	0	0	0	112	W226 L279 K281	W226-P259 HydrophobicContact CH2-CB 4.23Å; W226-P259 HydrophobicContact CZ3-CB 4.46Å; P259-L279 HydrophobicContact CB-CB 4.07Å; P259-L279 WeakPolarHBondContact CB-O 3.45Å; P259-L279 WeakPolarHBondContact CG-O 3.24Å; P259-K281 HydrophobicContact CG-CG 4.14Å
260	P	90.1	Very high	81.7	Confident	16 Å²	16	71.9 Å²	71.9	10%	0.104	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-62.5	150	177.4	26.5	-32	0	0	0	110.7	I230 I233 P241 L279	I230-P260 HydrophobicContact CD1-CG 3.52Å; I233-P260 HydrophobicContact CD1-CB 4.43Å; P241-P260 HydrophobicContact CB-CB 3.73Å; P241-P260 HydrophobicContact CB-CG 4.27Å; P241-P260 HydrophobicContact CG-CB 3.71Å; P241-P260 HydrophobicContact CG-CG 4.04Å; P260-L279 HydrophobicContact CG-CD1 4.33Å; P260-L279 VanDerWaalsContact O-CD1 3.24Å; P260-L279 WeakPolarHBondContact O-CD1 3.42Å
261	T	87.5	Confident	81.4	Confident	74 Å²	74	71.9 Å²	71.9	45%	0.454	38%	0.379	S	S	.	.			trans	-131.4	163.8	173.8	179.1	0	0	0	0	108.6
262	L	85.2	Confident	81.4	Confident	3 Å²	3	74.7 Å²	74.7	2%	0.016	39%	0.391	C	S	.	.			trans	-56.7	146.1	170	-62.6	163.5	0	0	0	110.7	I233 A236 E237 N264 P265 W268 F271 L275	I233-L262 HydrophobicContact CB-CD2 4.38Å; I233-L262 HydrophobicContact CG1-CD2 4.02Å; I233-L262 HydrophobicContact CG2-CD2 4.2Å; A236-L262 HydrophobicContact CB-CD2 3.93Å; E237-L262 HydrophobicContact CG-CD2 4.17Å; E237-L262 WeakPolarHBondContact OE1-CA 3.41Å; L262-N264 PolarHBondContact O-N 2.86Å; L262-P265 VanDerWaalsContact O-CD 3.3Å; L262-P265 WeakPolarHBondContact O-CD 3.38Å; L262-P265 WeakPolarHBondContact O-CG 3.41Å; L262-W268 HydrophobicContact CD1-CB 3.65Å; L262-W268 HydrophobicContact CD1-CD2 4.43Å; L262-W268 HydrophobicContact CD1-CG 3.67Å; L262-F271 HydrophobicContact CD1-CD1 3.54Å; L262-F271 HydrophobicContact CD1-CE1 3.61Å; L262-F271 HydrophobicContact CD2-CE1 3.88Å; L262-F271 HydrophobicContact CG-CE1 4.29Å; L262-L275 HydrophobicContact CD1-CD1 3.63Å; L262-L275 HydrophobicContact CD2-CD1 4.2Å; L262-L275 HydrophobicContact CG-CD1 3.7Å
263	C	79.7	Confident	81.6	Confident	113 Å²	113	73 Å²	73	76%	0.764	39%	0.387	S	S	*	.	S	Bend	trans	-63	-30.9	177.5	-66.4	0	0	0	0	112.3	E237	E237-C263 WeakPolarHBondContact OE1-CB 3.35Å; E237-C263 PolarHBondContact OE1-N 3.19Å; E237-C263 PolarHBondContact OE2-SG 3.5Å; E237-C263 VanDerWaalsContact OE2-SG 3.36Å
264	N	76.1	Confident	81.9	Confident	91 Å²	91	69.2 Å²	69.2	49%	0.487	37%	0.371	S	S	.	.			trans	-132	79.9	174.5	-172.7	-1.7	0	0	0	112	L262 A266 K267 W268	L262-N264 PolarHBondContact O-N 2.86Å; N264-A266 PolarHBondContact O-N 3.12Å; N264-A266 VanDerWaalsContact O-N 3.14Å; N264-A266 PolarHBondContact OD1-N 2.89Å; N264-K267 PolarHBondContact O-N 3.02Å; N264-W268 VanDerWaalsContact O-CD1 3.29Å
265	P	73.5	Confident	82.2	Confident	47 Å²	47	69 Å²	69	31%	0.305	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-57.8	-29.6	-177.2	-26.8	36.9	0	0	0	114.3	L262 K267 W268	L262-P265 VanDerWaalsContact O-CD 3.3Å; L262-P265 WeakPolarHBondContact O-CD 3.38Å; L262-P265 WeakPolarHBondContact O-CG 3.41Å; P265-K267 PolarHBondContact O-N 3.37Å; P265-W268 CarbonylContact O-C 3.59Å; P265-W268 PolarHBondContact O-N 3.4Å
266	A	70.7	Confident	82.5	Confident	89 Å²	89	69.2 Å²	69.2	74%	0.736	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-65.5	-25.1	-177.2	0	0	0	0	0	113.3	N264 W268	N264-A266 PolarHBondContact O-N 3.12Å; N264-A266 VanDerWaalsContact O-N 3.14Å; N264-A266 PolarHBondContact OD1-N 2.89Å; A266-W268 PolarHBondContact O-N 2.87Å
267	K	73.5	Confident	82.9	Confident	141 Å²	141	66.8 Å²	66.8	61%	0.613	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-70.9	-17.3	175	-176.3	179.2	175.4	-170	0	112.7	N264 P265	N264-K267 PolarHBondContact O-N 3.02Å; P265-K267 PolarHBondContact O-N 3.37Å
268	W	74	Confident	83.3	Confident	15 Å²	15	65.4 Å²	65.4	6%	0.057	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-131.5	41.7	-160.4	-63.7	109.4	0	0	0	112.3	E136 I139 A236 L262 N264 P265 A266 T270 F271 H272	E136-W268 HydrophobicContact CB-CE3 4.05Å; E136-W268 HydrophobicContact CB-CZ3 3.69Å; E136-W268 HydrophobicContact CG-CE3 4.02Å; E136-W268 HydrophobicContact CG-CZ3 4.05Å; I139-W268 HydrophobicContact CD1-CH2 3.83Å; I139-W268 HydrophobicContact CD1-CZ3 3.82Å; A236-W268 HydrophobicContact CB-CH2 3.91Å; A236-W268 HydrophobicContact CB-CZ2 3.74Å; L262-W268 HydrophobicContact CD1-CB 3.65Å; L262-W268 HydrophobicContact CD1-CD2 4.43Å; L262-W268 HydrophobicContact CD1-CG 3.67Å; N264-W268 VanDerWaalsContact O-CD1 3.29Å; P265-W268 CarbonylContact O-C 3.59Å; P265-W268 PolarHBondContact O-N 3.4Å; A266-W268 PolarHBondContact O-N 2.87Å; W268-T270 PolarHBondContact O-N 3.28Å; W268-F271 HydrophobicContact CB-CB 4.13Å; W268-F271 HydrophobicContact CB-CD1 3.89Å; W268-F271 AromaticContact CD2-CD1 3.8Å; W268-F271 HydrophobicContact CD2-CD1 3.8Å; W268-F271 HydrophobicContact CD2-CE1 4.42Å; W268-F271 HydrophobicContact CE3-CB 4.3Å; W268-F271 AromaticContact CE3-CD1 3.57Å; W268-F271 HydrophobicContact CE3-CD1 3.57Å; W268-F271 HydrophobicContact CE3-CE1 4.28Å; W268-F271 HydrophobicContact CE3-CG 4.24Å; W268-F271 AromaticContact CG-CD1 3.99Å; W268-F271 HydrophobicContact CG-CD1 3.99Å; W268-F271 HydrophobicContact CZ3-CD1 4.27Å; W268-F271 PolarHBondContact O-N 3.3Å; W268-F271 VanDerWaalsContact O-N 3.11Å; W268-H272 VanDerWaalsContact O-CB 3.29Å; W268-H272 WeakPolarHBondContact O-CB 3.45Å; W268-H272 PolarHBondContact O-N 2.89Å
269	Y	64.5	Low	83.7	Confident	200 Å²	200	59.3 Å²	59.3	78%	0.784	32%	0.321	S	S	*	.	H	α-helix	trans	-52.6	-50.9	-166.2	-176.2	-97.7	0	0	0	114.6
270	T	74.2	Confident	83.9	Confident	67 Å²	67	58.3 Å²	58.3	41%	0.411	31%	0.314	S	S	.	.	H	α-helix	trans	-66.7	-40	177.8	28.3	0	0	0	0	112.7	E136 W268	E136-T270 PolarHBondContact OE1-OG1 2.92Å; W268-T270 PolarHBondContact O-N 3.28Å
271	F	79	Confident	84	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-70.9	-39.6	-179.3	175.4	-130	0	0	0	112.7	E136 I139 L232 A236 L262 W268 N273 F274 L275 F297	E136-F271 HydrophobicContact CG-CB 4.35Å; I139-F271 HydrophobicContact CG2-CD2 4.16Å; I139-F271 HydrophobicContact CG2-CE2 3.64Å; I139-F271 HydrophobicContact CG2-CZ 4Å; L232-F271 HydrophobicContact CB-CE2 3.79Å; L232-F271 HydrophobicContact CB-CZ 3.77Å; L232-F271 HydrophobicContact CD1-CE2 4.28Å; L232-F271 HydrophobicContact CD2-CE2 4.33Å; L232-F271 HydrophobicContact CG-CE2 4.35Å; L232-F271 WeakPolarHBondContact O-CZ 3.42Å; A236-F271 HydrophobicContact CB-CE1 3.83Å; A236-F271 HydrophobicContact CB-CZ 4.38Å; L262-F271 HydrophobicContact CD1-CD1 3.54Å; L262-F271 HydrophobicContact CD1-CE1 3.61Å; L262-F271 HydrophobicContact CD2-CE1 3.88Å; L262-F271 HydrophobicContact CG-CE1 4.29Å; W268-F271 HydrophobicContact CB-CB 4.13Å; W268-F271 HydrophobicContact CB-CD1 3.89Å; W268-F271 AromaticContact CD2-CD1 3.8Å; W268-F271 HydrophobicContact CD2-CD1 3.8Å; W268-F271 HydrophobicContact CD2-CE1 4.42Å; W268-F271 HydrophobicContact CE3-CB 4.3Å; W268-F271 AromaticContact CE3-CD1 3.57Å; W268-F271 HydrophobicContact CE3-CD1 3.57Å; W268-F271 HydrophobicContact CE3-CE1 4.28Å; W268-F271 HydrophobicContact CE3-CG 4.24Å; W268-F271 AromaticContact CG-CD1 3.99Å; W268-F271 HydrophobicContact CG-CD1 3.99Å; W268-F271 HydrophobicContact CZ3-CD1 4.27Å; W268-F271 PolarHBondContact O-N 3.3Å; W268-F271 VanDerWaalsContact O-N 3.11Å; F271-N273 VanDerWaalsContact C-N 3.33Å; F271-N273 PolarHBondContact O-N 3.43Å; F271-F274 WeakPolarHBondContact O-CB 3.3Å; F271-F274 PolarHBondContact O-N 3.16Å; F271-L275 HydrophobicContact CD1-CD1 4.22Å; F271-L275 HydrophobicContact CD2-CG 4.38Å; F271-L275 HydrophobicContact CE1-CD1 3.8Å; F271-L275 HydrophobicContact CE1-CG 4.44Å; F271-L275 HydrophobicContact CE2-CD1 4.27Å; F271-L275 HydrophobicContact CE2-CD2 4.08Å; F271-L275 HydrophobicContact CE2-CG 4.02Å; F271-L275 HydrophobicContact CZ-CD1 3.82Å; F271-L275 HydrophobicContact CZ-CD2 4.05Å; F271-L275 HydrophobicContact CZ-CG 4.04Å; F271-L275 PolarHBondContact O-N 3.21Å; F271-F297 HydrophobicContact CB-CD2 4.49Å; F271-F297 HydrophobicContact CB-CE2 3.79Å; F271-F297 HydrophobicContact CB-CZ 4.01Å; F271-F297 AromaticContact CD2-CE1 3.77Å; F271-F297 HydrophobicContact CD2-CE1 3.77Å; F271-F297 HydrophobicContact CD2-CE2 4.16Å; F271-F297 AromaticContact CD2-CZ 3.51Å; F271-F297 HydrophobicContact CD2-CZ 3.51Å; F271-F297 HydrophobicContact CE2-CE1 4.39Å; F271-F297 HydrophobicContact CE2-CZ 4.38Å; F271-F297 HydrophobicContact CG-CE2 4.43Å; F271-F297 HydrophobicContact CG-CZ 4.14Å
272	H	83.9	Confident	84.1	Confident	71 Å²	71	60.1 Å²	60.1	33%	0.329	32%	0.316	S	S	.	.	H	α-helix	trans	-62.4	-37.6	177.8	177.6	-95.9	0	0	0	112.3	W268 L275 S276	W268-H272 VanDerWaalsContact O-CB 3.29Å; W268-H272 WeakPolarHBondContact O-CB 3.45Å; W268-H272 PolarHBondContact O-N 2.89Å; H272-L275 PolarHBondContact O-N 3.36Å; H272-S276 PolarHBondContact O-N 2.93Å; H272-S276 VanDerWaalsContact O-N 3.14Å
273	N	86.9	Confident	84.4	Confident	73 Å²	73	61.8 Å²	61.8	39%	0.39	33%	0.328	S	S	.	.	H	α-helix	trans	-63.4	-42.8	175.4	-169.3	-105.4	0	0	0	111.8	F271 S276 H295	F271-N273 VanDerWaalsContact C-N 3.33Å; F271-N273 PolarHBondContact O-N 3.43Å; N273-S276 PolarHBondContact O-N 3.28Å; N273-S276 PolarHBondContact O-OG 3.49Å; N273-H295 PolarHBondContact OD1-CE1 2.98Å; N273-H295 PolarHBondContact OD1-NE2 3.07Å
274	F	93	Very high	84.9	Confident	0 Å²	0	63 Å²	63	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-61.6	-46.4	174.8	-173.4	-86.5	0	0	0	112	C143 L228 L232 F271 S276 R277 C278 L292 H295 F297 V298	C143-F274 WeakPolarHBondContact SG-CE1 3.49Å; C143-F274 WeakPolarHBondContact SG-CZ 3.4Å; L228-F274 HydrophobicContact CD2-CE1 4.46Å; L232-F274 HydrophobicContact CD1-CD1 3.86Å; L232-F274 HydrophobicContact CD1-CE1 3.63Å; F271-F274 WeakPolarHBondContact O-CB 3.3Å; F271-F274 PolarHBondContact O-N 3.16Å; F274-S276 PolarHBondContact O-N 3.04Å; F274-R277 WeakPolarHBondContact O-CB 3.43Å; F274-R277 PolarHBondContact O-N 3.16Å; F274-C278 WeakPolarHBondContact CE1-SG 3.09Å; F274-C278 PolarHBondContact O-N 3.38Å; F274-L292 HydrophobicContact CE2-CB 4.09Å; F274-L292 HydrophobicContact CE2-CD2 3.98Å; F274-L292 HydrophobicContact CE2-CG 4.49Å; F274-L292 HydrophobicContact CZ-CB 4.03Å; F274-L292 HydrophobicContact CZ-CD1 4.08Å; F274-L292 HydrophobicContact CZ-CD2 4.01Å; F274-L292 HydrophobicContact CZ-CG 4.27Å; F274-H295 HydrophobicContact CD2-CB 3.81Å; F274-H295 AromaticContact CD2-CG 3.61Å; F274-H295 AromaticContact CD2-ND1 3.51Å; F274-H295 HydrophobicContact CE2-CB 3.95Å; F274-F297 HydrophobicContact CB-CB 3.95Å; F274-F297 HydrophobicContact CB-CD1 3.96Å; F274-F297 HydrophobicContact CB-CG 4.06Å; F274-F297 HydrophobicContact CD1-CD1 4.31Å; F274-F297 HydrophobicContact CD2-CB 3.88Å; F274-F297 AromaticContact CD2-CD1 4Å; F274-F297 HydrophobicContact CD2-CD1 4Å; F274-F297 HydrophobicContact CD2-CG 4.37Å; F274-F297 HydrophobicContact CG-CB 4.19Å; F274-F297 AromaticContact CG-CD1 3.83Å; F274-F297 HydrophobicContact CG-CD1 3.83Å; F274-F297 HydrophobicContact CG-CG 4.31Å; F274-V298 HydrophobicContact CD2-CG1 4.49Å; F274-V298 HydrophobicContact CE2-CG1 3.94Å; F274-V298 HydrophobicContact CE2-CG2 4.07Å; F274-V298 HydrophobicContact CZ-CG1 4.28Å
275	L	93.7	Very high	85.8	Confident	6 Å²	6	65 Å²	65	3%	0.031	33%	0.333	C	S	.	.	H	α-helix	trans	-56.1	-38.2	177.8	-73.1	177.3	0	0	0	112.9	G229 L232 I233 L262 F271 H272 R277 C278 L279	G229-L275 WeakPolarHBondContact O-CD2 3.37Å; L232-L275 HydrophobicContact CB-CD2 3.74Å; L232-L275 HydrophobicContact CD1-CD2 4.16Å; I233-L275 HydrophobicContact CG1-CD1 3.98Å; I233-L275 HydrophobicContact CG1-CD2 4.25Å; L262-L275 HydrophobicContact CD1-CD1 3.63Å; L262-L275 HydrophobicContact CD2-CD1 4.2Å; L262-L275 HydrophobicContact CG-CD1 3.7Å; F271-L275 HydrophobicContact CD1-CD1 4.22Å; F271-L275 HydrophobicContact CD2-CG 4.38Å; F271-L275 HydrophobicContact CE1-CD1 3.8Å; F271-L275 HydrophobicContact CE1-CG 4.44Å; F271-L275 HydrophobicContact CE2-CD1 4.27Å; F271-L275 HydrophobicContact CE2-CD2 4.08Å; F271-L275 HydrophobicContact CE2-CG 4.02Å; F271-L275 HydrophobicContact CZ-CD1 3.82Å; F271-L275 HydrophobicContact CZ-CD2 4.05Å; F271-L275 HydrophobicContact CZ-CG 4.04Å; F271-L275 PolarHBondContact O-N 3.21Å; H272-L275 PolarHBondContact O-N 3.36Å; L275-R277 PolarHBondContact O-N 3.04Å; L275-C278 PolarHBondContact O-N 2.99Å; L275-C278 VanDerWaalsContact O-N 3.09Å; L275-L279 WeakPolarHBondContact O-CB 3.48Å; L275-L279 PolarHBondContact O-N 3.27Å
276	S	92.5	Very high	86.9	Confident	61 Å²	61	62.8 Å²	62.8	43%	0.427	32%	0.318	S	S	.	.	H	α-helix	trans	-65.7	-19.1	177.8	72.1	0	0	0	0	114.3	H272 N273 F274 V280	H272-S276 PolarHBondContact O-N 2.93Å; H272-S276 VanDerWaalsContact O-N 3.14Å; N273-S276 PolarHBondContact O-N 3.28Å; N273-S276 PolarHBondContact O-OG 3.49Å; F274-S276 PolarHBondContact O-N 3.04Å; S276-V280 WeakPolarHBondContact O-CG2 3.35Å
277	R	94.7	Very high	88.2	Confident	117 Å²	117	60.2 Å²	60.2	44%	0.442	29%	0.292	S	S	.	.	H	α-helix	trans	-82.2	-33.1	171.9	-57.5	-58.4	-178.7	169.8	-0.1	112.2	F274 L275 D287 L292	F274-R277 WeakPolarHBondContact O-CB 3.43Å; F274-R277 PolarHBondContact O-N 3.16Å; L275-R277 PolarHBondContact O-N 3.04Å; R277-D287 HydrophobicContact CB-CB 4.44Å; R277-D287 WeakPolarHBondContact CB-OD2 3.4Å; R277-D287 WeakPolarHBondContact CD-OD2 3.44Å; R277-L292 HydrophobicContact CB-CD2 3.82Å
278	C	96.4	Very high	89.3	Confident	0 Å²	0	55 Å²	55	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-77.8	-46	177.9	-61.1	0	0	0	0	112.7	I225 F274 L275 V280 R286	I225-C278 HydrophobicContact CG2-CB 4.28Å; F274-C278 WeakPolarHBondContact CE1-SG 3.09Å; F274-C278 PolarHBondContact O-N 3.38Å; L275-C278 PolarHBondContact O-N 2.99Å; L275-C278 VanDerWaalsContact O-N 3.09Å; C278-V280 VanDerWaalsContact C-N 3.25Å; C278-V280 PolarHBondContact O-N 3.42Å; C278-R286 WeakPolarHBondContact O-CD 3.46Å; C278-R286 WeakPolarHBondContact O-CG 3.29Å; C278-R286 PolarHBondContact O-NE 2.89Å
279	L	96.4	Very high	90.3	Very high	11 Å²	11	54.3 Å²	54.3	6%	0.058	27%	0.271	C	S	.	.			trans	-90	50.7	-170	-61.8	176.7	0	0	0	112.4	W226 I230 I233 P259 P260 L275	W226-L279 HydrophobicContact CD2-CD2 4.02Å; W226-L279 HydrophobicContact CE3-CD2 4.19Å; W226-L279 HydrophobicContact CG-CD2 4.44Å; W226-L279 HydrophobicContact CZ3-CB 4.49Å; I230-L279 HydrophobicContact CD1-CD2 3.76Å; I230-L279 HydrophobicContact CG1-CD2 4.11Å; I233-L279 HydrophobicContact CD1-CD1 3.7Å; P259-L279 HydrophobicContact CB-CB 4.07Å; P259-L279 WeakPolarHBondContact CB-O 3.45Å; P259-L279 WeakPolarHBondContact CG-O 3.24Å; P260-L279 HydrophobicContact CG-CD1 4.33Å; P260-L279 VanDerWaalsContact O-CD1 3.24Å; P260-L279 WeakPolarHBondContact O-CD1 3.42Å; L275-L279 WeakPolarHBondContact O-CB 3.48Å; L275-L279 PolarHBondContact O-N 3.27Å
280	V	95.7	Very high	91.8	Very high	30 Å²	30	49 Å²	49	18%	0.182	26%	0.256	C	S	.	.			trans	-97.6	124.8	173.8	-178.4	0	0	0	0	109.2	S276 C278 E285 R286	S276-V280 WeakPolarHBondContact O-CG2 3.35Å; C278-V280 VanDerWaalsContact C-N 3.25Å; C278-V280 PolarHBondContact O-N 3.42Å; V280-E285 HydrophobicContact CG1-CB 3.76Å; V280-R286 HydrophobicContact CB-CB 3.97Å; V280-R286 HydrophobicContact CB-CG 4.24Å; V280-R286 VanDerWaalsContact O-CZ 3.28Å; V280-R286 PolarHBondContact O-NE 2.94Å; V280-R286 PolarHBondContact O-NH2 2.95Å
281	K	92.6	Very high	92.8	Very high	67 Å²	67	50.1 Å²	50.1	29%	0.291	26%	0.259	S	S	.	.	S	Bend	trans	-62.9	-44.4	-177.7	-76.2	-167.7	173.6	-175.2	0	113.1	P206 W226 V254 Q255 S257 P259 P283	P206-K281 HydrophobicContact CG-CG 4.34Å; W226-K281 HydrophobicContact CH2-CG 4.5Å; W226-K281 HydrophobicContact CZ3-CG 4.34Å; V254-K281 WeakPolarHBondContact O-CE 3.04Å; V254-K281 PolarHBondContact O-NZ 3.34Å; Q255-K281 PolarHBondContact O-NZ 2.99Å; S257-K281 WeakPolarHBondContact O-CE 3.15Å; S257-K281 PolarHBondContact O-NZ 3.49Å; P259-K281 HydrophobicContact CG-CG 4.14Å; K281-P283 VanDerWaalsContact O-CD 3.26Å; K281-P283 WeakPolarHBondContact O-CD 3.39Å
282	N	89.7	Confident	93.6	Very high	60 Å²	60	50.1 Å²	50.1	32%	0.321	26%	0.259	S	S	.	.	S	Bend	trans	-75.2	113.1	177.3	-177.7	-2.4	0	0	0	109	N284 E285 R286	N282-N284 PolarHBondContact O-N 3.44Å; N282-N284 VanDerWaalsContact O-N 3.14Å; N282-N284 WeakPolarHBondContact OD1-CB 3.38Å; N282-N284 PolarHBondContact OD1-N 3.04Å; N282-E285 HydrophobicContact CB-CB 4.22Å; N282-E285 HydrophobicContact CB-CG 4.25Å; N282-E285 PolarHBondContact ND2-OE1 2.94Å; N282-E285 PolarHBondContact O-N 2.92Å; N282-E285 VanDerWaalsContact O-N 3.08Å; N282-R286 PolarHBondContact O-N 2.83Å; N282-R286 VanDerWaalsContact O-N 3.09Å
283	P	91.3	Very high	94.1	Very high	39 Å²	39	47.5 Å²	47.5	25%	0.253	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-24.2	-179.1	25.7	-34.7	0	0	0	112.7	E207 K222 K281 E285 R286	E207-P283 HydrophobicContact CB-CG 4.45Å; E207-P283 HydrophobicContact CG-CG 4.39Å; K222-P283 HydrophobicContact CB-CB 4.46Å; K222-P283 WeakPolarHBondContact CD-O 3.35Å; K222-P283 PolarHBondContact NZ-O 3.3Å; K222-P283 VanDerWaalsContact NZ-O 3.12Å; K281-P283 VanDerWaalsContact O-CD 3.26Å; K281-P283 WeakPolarHBondContact O-CD 3.39Å; P283-E285 VanDerWaalsContact C-N 3.33Å; P283-R286 PolarHBondContact O-N 2.94Å
284	N	90.9	Very high	94.5	Very high	138 Å²	138	50.3 Å²	50.3	74%	0.738	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-30.2	177.3	-65.3	-36.4	0	0	0	112.8	N282	N282-N284 PolarHBondContact O-N 3.44Å; N282-N284 VanDerWaalsContact O-N 3.14Å; N282-N284 WeakPolarHBondContact OD1-CB 3.38Å; N282-N284 PolarHBondContact OD1-N 3.04Å
285	E	94.7	Very high	94.6	Very high	132 Å²	132	51.4 Å²	51.4	62%	0.617	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-16	177.6	-68.5	165.2	-151	0	0	112.7	V280 N282 P283	V280-E285 HydrophobicContact CG1-CB 3.76Å; N282-E285 HydrophobicContact CB-CB 4.22Å; N282-E285 HydrophobicContact CB-CG 4.25Å; N282-E285 PolarHBondContact ND2-OE1 2.94Å; N282-E285 PolarHBondContact O-N 2.92Å; N282-E285 VanDerWaalsContact O-N 3.08Å; P283-E285 VanDerWaalsContact C-N 3.33Å
286	R	97.1	Very high	94.5	Very high	2 Å²	2	55.8 Å²	55.8	1%	0.008	30%	0.299	C	S	.	.	S	Bend	trans	-68.9	137	174.2	-165.6	-176.4	-57.9	150.1	5.6	110.3	E207 K222 I225 C278 V280 N282 P283	E207-R286 IonicContact OE1-CZ 3.24Å; E207-R286 IonicContact OE1-NH1 2.68Å; E207-R286 PolarHBondContact OE1-NH1 2.94Å; E207-R286 IonicContact OE1-NH2 2.55Å; E207-R286 PolarHBondContact OE1-NH2 3.5Å; E207-R286 IonicContact OE2-CZ 2.85Å; E207-R286 IonicContact OE2-NH1 3.82Å; E207-R286 IonicContact OE2-NH2 3.9Å; E207-R286 PolarHBondContact OE2-NH2 3.11Å; K222-R286 HydrophobicContact CD-CB 4.41Å; K222-R286 WeakPolarHBondContact CD-O 3.24Å; K222-R286 WeakPolarHBondContact CE-O 3.35Å; K222-R286 PolarHBondContact NZ-O 3.49Å; K222-R286 PolarHBondContact O-NH1 3.42Å; I225-R286 HydrophobicContact CB-CG 4.44Å; I225-R286 HydrophobicContact CG2-CG 4.02Å; C278-R286 WeakPolarHBondContact O-CD 3.46Å; C278-R286 WeakPolarHBondContact O-CG 3.29Å; C278-R286 PolarHBondContact O-NE 2.89Å; V280-R286 HydrophobicContact CB-CB 3.97Å; V280-R286 HydrophobicContact CB-CG 4.24Å; V280-R286 VanDerWaalsContact O-CZ 3.28Å; V280-R286 PolarHBondContact O-NE 2.94Å; V280-R286 PolarHBondContact O-NH2 2.95Å; N282-R286 PolarHBondContact O-N 2.83Å; N282-R286 VanDerWaalsContact O-N 3.09Å; P283-R286 PolarHBondContact O-N 2.94Å
287	D	96.9	Very high	94.4	Very high	35 Å²	35	53 Å²	53	19%	0.187	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-65	150.3	177.7	-76.2	-10.4	0	0	0	111.1	R277 L291 L292	R277-D287 HydrophobicContact CB-CB 4.44Å; R277-D287 WeakPolarHBondContact CB-OD2 3.4Å; R277-D287 WeakPolarHBondContact CD-OD2 3.44Å; D287-L291 HydrophobicContact CB-CB 4.08Å; D287-L291 HydrophobicContact CB-CD1 4.39Å; D287-L292 HydrophobicContact CB-CD2 3.85Å; D287-L292 HydrophobicContact CB-CG 4.1Å
288	S	96.4	Very high	94.3	Very high	30 Å²	30	47.5 Å²	47.5	21%	0.21	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-85.5	165.9	170.6	60.9	0	0	0	0	110.8	D290 L291 L292	S288-D290 PolarHBondContact O-N 3.37Å; S288-L291 PolarHBondContact O-N 2.95Å; S288-L292 WeakPolarHBondContact O-CG 3.46Å; S288-L292 PolarHBondContact O-N 3.48Å
289	A	95.9	Very high	94	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.008	28%	0.279	C	S	.	.	H	α-helix	trans	-54.4	-39.5	173.7	0	0	0	0	0	112.2	L150 R151 I225 L291 L292 C293	L150-A289 HydrophobicContact CB-CB 4.01Å; R151-A289 HydrophobicContact CB-CB 3.91Å; I225-A289 HydrophobicContact CD1-CB 4.04Å; A289-L291 VanDerWaalsContact C-N 3.31Å; A289-L291 PolarHBondContact O-N 3.45Å; A289-L292 PolarHBondContact O-N 3.39Å; A289-C293 PolarHBondContact O-N 3.39Å; A289-C293 PolarHBondContact O-SG 3.13Å
290	D	95.1	Very high	93.3	Very high	88 Å²	88	52.8 Å²	52.8	47%	0.471	31%	0.306	S	S	.	.	H	α-helix	trans	-58.3	-40.4	175.8	-59.6	-79.3	0	0	0	113.1	R151 S288	R151-D290 VanDerWaalsContact CG-OD1 3.32Å; R151-D290 WeakPolarHBondContact CG-OD1 3.5Å; S288-D290 PolarHBondContact O-N 3.37Å
291	L	96.1	Very high	92.6	Very high	92 Å²	92	54.6 Å²	54.6	48%	0.482	31%	0.313	S	S	.	.	H	α-helix	trans	-74.4	-38.3	177.8	-68.9	176.9	0	0	0	111.6	D287 S288 A289 C293 L294	D287-L291 HydrophobicContact CB-CB 4.08Å; D287-L291 HydrophobicContact CB-CD1 4.39Å; S288-L291 PolarHBondContact O-N 2.95Å; A289-L291 VanDerWaalsContact C-N 3.31Å; A289-L291 PolarHBondContact O-N 3.45Å; L291-C293 PolarHBondContact O-N 2.92Å; L291-L294 WeakPolarHBondContact O-CB 3.49Å; L291-L294 PolarHBondContact O-N 3.38Å; L291-L294 VanDerWaalsContact O-N 3.14Å
292	L	96	Very high	92.2	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-65.5	-36.7	178.2	-68.9	-176.7	0	0	0	112.4	I225 L228 F274 R277 D287 S288 A289 L294 H295 V298	I225-L292 HydrophobicContact CD1-CD1 4.16Å; I225-L292 HydrophobicContact CG2-CD1 3.59Å; L228-L292 HydrophobicContact CD2-CD1 4.2Å; F274-L292 HydrophobicContact CE2-CB 4.09Å; F274-L292 HydrophobicContact CE2-CD2 3.98Å; F274-L292 HydrophobicContact CE2-CG 4.49Å; F274-L292 HydrophobicContact CZ-CB 4.03Å; F274-L292 HydrophobicContact CZ-CD1 4.08Å; F274-L292 HydrophobicContact CZ-CD2 4.01Å; F274-L292 HydrophobicContact CZ-CG 4.27Å; R277-L292 HydrophobicContact CB-CD2 3.82Å; D287-L292 HydrophobicContact CB-CD2 3.85Å; D287-L292 HydrophobicContact CB-CG 4.1Å; S288-L292 WeakPolarHBondContact O-CG 3.46Å; S288-L292 PolarHBondContact O-N 3.48Å; A289-L292 PolarHBondContact O-N 3.39Å; L292-L294 PolarHBondContact O-N 3Å; L292-L294 VanDerWaalsContact O-N 3.15Å; L292-H295 WeakPolarHBondContact O-CB 3.04Å; L292-H295 PolarHBondContact O-N 3Å; L292-V298 WeakPolarHBondContact O-CG2 3.23Å
293	C	94.6	Very high	92.2	Very high	16 Å²	16	58.9 Å²	58.9	11%	0.108	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-25.6	173.4	-72.7	0	0	0	0	113.1	E148 A289 L291	E148-C293 PolarHBondContact OE1-SG 3.46Å; A289-C293 PolarHBondContact O-N 3.39Å; A289-C293 PolarHBondContact O-SG 3.13Å; L291-C293 PolarHBondContact O-N 2.92Å
294	L	94.7	Very high	92.2	Very high	131 Å²	131	59.2 Å²	59.2	69%	0.686	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-6.7	177.9	-58.3	175.4	0	0	0	113.2	L291 L292	L291-L294 WeakPolarHBondContact O-CB 3.49Å; L291-L294 PolarHBondContact O-N 3.38Å; L291-L294 VanDerWaalsContact O-N 3.14Å; L292-L294 PolarHBondContact O-N 3Å; L292-L294 VanDerWaalsContact O-N 3.15Å
295	H	94.4	Very high	92.4	Very high	24 Å²	24	58.1 Å²	58.1	11%	0.111	33%	0.329	C	S	.	.	S	Bend	trans	-69.6	140.6	-177.2	-165.5	-84.6	0	0	0	111.3	N273 F274 L292 F297 V298 S299	N273-H295 PolarHBondContact OD1-CE1 2.98Å; N273-H295 PolarHBondContact OD1-NE2 3.07Å; F274-H295 HydrophobicContact CD2-CB 3.81Å; F274-H295 AromaticContact CD2-CG 3.61Å; F274-H295 AromaticContact CD2-ND1 3.51Å; F274-H295 HydrophobicContact CE2-CB 3.95Å; L292-H295 WeakPolarHBondContact O-CB 3.04Å; L292-H295 PolarHBondContact O-N 3Å; H295-F297 WeakPolarHBondContact ND1-CB 3.37Å; H295-F297 PolarHBondContact ND1-N 3.04Å; H295-F297 VanDerWaalsContact ND1-N 3.18Å; H295-F297 PolarHBondContact O-N 3.25Å; H295-V298 HydrophobicContact CB-CG2 4.45Å; H295-V298 PolarHBondContact O-N 3.1Å; H295-S299 WeakPolarHBondContact O-CB 3.34Å; H295-S299 PolarHBondContact O-N 3.4Å
296	S	91.6	Very high	92.3	Very high	98 Å²	98	52.9 Å²	52.9	69%	0.685	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-19.7	-177.5	58.4	0	0	0	0	114.8
297	F	92	Very high	92.2	Very high	3 Å²	3	52.8 Å²	52.8	1%	0.013	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-39.5	175.5	-175.2	-113	0	0	0	111.9	E136 I139 R140 C143 F271 F274 H295	E136-F297 HydrophobicContact CG-CE2 4.04Å; E136-F297 HydrophobicContact CG-CZ 4.38Å; I139-F297 HydrophobicContact CG2-CZ 4.36Å; R140-F297 HydrophobicContact CB-CE1 4.31Å; R140-F297 HydrophobicContact CB-CE2 4.21Å; R140-F297 HydrophobicContact CB-CZ 3.87Å; R140-F297 WeakPolarHBondContact CD-O 3.02Å; R140-F297 HydrophobicContact CG-CD2 4.34Å; R140-F297 HydrophobicContact CG-CE1 4.28Å; R140-F297 HydrophobicContact CG-CE2 4.11Å; R140-F297 HydrophobicContact CG-CZ 4.06Å; R140-F297 WeakPolarHBondContact CG-O 3.43Å; C143-F297 HydrophobicContact CB-CE1 4.15Å; F271-F297 HydrophobicContact CB-CD2 4.49Å; F271-F297 HydrophobicContact CB-CE2 3.79Å; F271-F297 HydrophobicContact CB-CZ 4.01Å; F271-F297 AromaticContact CD2-CE1 3.77Å; F271-F297 HydrophobicContact CD2-CE1 3.77Å; F271-F297 HydrophobicContact CD2-CE2 4.16Å; F271-F297 AromaticContact CD2-CZ 3.51Å; F271-F297 HydrophobicContact CD2-CZ 3.51Å; F271-F297 HydrophobicContact CE2-CE1 4.39Å; F271-F297 HydrophobicContact CE2-CZ 4.38Å; F271-F297 HydrophobicContact CG-CE2 4.43Å; F271-F297 HydrophobicContact CG-CZ 4.14Å; F274-F297 HydrophobicContact CB-CB 3.95Å; F274-F297 HydrophobicContact CB-CD1 3.96Å; F274-F297 HydrophobicContact CB-CG 4.06Å; F274-F297 HydrophobicContact CD1-CD1 4.31Å; F274-F297 HydrophobicContact CD2-CB 3.88Å; F274-F297 AromaticContact CD2-CD1 4Å; F274-F297 HydrophobicContact CD2-CD1 4Å; F274-F297 HydrophobicContact CD2-CG 4.37Å; F274-F297 HydrophobicContact CG-CB 4.19Å; F274-F297 AromaticContact CG-CD1 3.83Å; F274-F297 HydrophobicContact CG-CD1 3.83Å; F274-F297 HydrophobicContact CG-CG 4.31Å; H295-F297 WeakPolarHBondContact ND1-CB 3.37Å; H295-F297 PolarHBondContact ND1-N 3.04Å; H295-F297 VanDerWaalsContact ND1-N 3.18Å; H295-F297 PolarHBondContact O-N 3.25Å
298	V	92.2	Very high	92.1	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.8	-20.5	-174.9	-63.1	0	0	0	0	113.8	C143 H144 F274 L292 H295 G300 Q301	C143-V298 HydrophobicContact CB-CG1 3.89Å; C143-V298 VanDerWaalsContact SG-CG1 3.55Å; H144-V298 HydrophobicContact CB-CB 4.02Å; H144-V298 HydrophobicContact CB-CG1 4.35Å; H144-V298 PolarHBondContact ND1-O 2.69Å; F274-V298 HydrophobicContact CD2-CG1 4.49Å; F274-V298 HydrophobicContact CE2-CG1 3.94Å; F274-V298 HydrophobicContact CE2-CG2 4.07Å; F274-V298 HydrophobicContact CZ-CG1 4.28Å; L292-V298 WeakPolarHBondContact O-CG2 3.23Å; H295-V298 HydrophobicContact CB-CG2 4.45Å; H295-V298 PolarHBondContact O-N 3.1Å; V298-G300 PolarHBondContact O-N 3.27Å; V298-Q301 WeakPolarHBondContact O-CB 3.22Å; V298-Q301 WeakPolarHBondContact O-CG 3.36Å; V298-Q301 PolarHBondContact O-N 3.43Å
299	S	89.1	Confident	91.8	Very high	63 Å²	63	58.1 Å²	58.1	44%	0.441	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	128.5	-178.2	177.8	0	0	0	0	111.2	H295	H295-S299 WeakPolarHBondContact O-CB 3.34Å; H295-S299 PolarHBondContact O-N 3.4Å
300	G	83.1	Confident	91.7	Very high	60 Å²	60	58.2 Å²	58.2	62%	0.619	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.8	24.3	180	0	0	0	0	0	114.7	V298	V298-G300 PolarHBondContact O-N 3.27Å
301	Q	81.3	Confident	91.5	Very high	68 Å²	68	54.2 Å²	54.2	32%	0.318	31%	0.308	S	S	.	.			trans	-107.5	73.6	-179	-56.6	-60	-60	0	0	110.8	R140 H144 V298	R140-Q301 HydrophobicContact CG-CB 4.41Å; R140-Q301 HydrophobicContact CG-CG 3.92Å; H144-Q301 HydrophobicContact CB-CB 4.34Å; H144-Q301 PolarHBondContact CD2-O 3.45Å; V298-Q301 WeakPolarHBondContact O-CB 3.22Å; V298-Q301 WeakPolarHBondContact O-CG 3.36Å; V298-Q301 PolarHBondContact O-N 3.43Å
302	D	82.1	Confident	91.2	Very high	124 Å²	124	51.7 Å²	51.7	66%	0.663	30%	0.298	S	S	*	.			trans	-107.4	2.9	-176.3	62.6	-18.5	0	0	0	114.3	P304	D302-P304 VanDerWaalsContact O-CD 3.22Å; D302-P304 WeakPolarHBondContact O-CD 3.44Å
303	D	90	Very high	90.8	Very high	93 Å²	93	53 Å²	53	50%	0.497	30%	0.304	S	S	.	.			trans	-78.8	111.5	178.6	-177.1	10.1	0	0	0	112	F141 K305 P306	F141-D303 WeakPolarHBondContact CD2-O 3.18Å; F141-D303 VanDerWaalsContact CE2-C 3.42Å; F141-D303 WeakPolarHBondContact CE2-O 3.42Å; D303-K305 PolarHBondContact O-N 2.86Å; D303-K305 WeakPolarHBondContact OD1-CB 3.27Å; D303-K305 PolarHBondContact OD1-N 3.41Å; D303-K305 WeakPolarHBondContact OD2-CB 3.47Å; D303-P306 WeakPolarHBondContact O-CD 3.37Å
304	P	92.6	Very high	90.4	Very high	45 Å²	45	54.8 Å²	54.8	29%	0.292	31%	0.312	S	S	.	.			trans	-73.5	-5.6	179.4	32.5	-37	0	0	0	113.6	F141 D302 P306 I307 L308	F141-P304 HydrophobicContact CE1-CB 4.39Å; F141-P304 VanDerWaalsContact CE2-CA 3.5Å; F141-P304 HydrophobicContact CE2-CB 4.13Å; F141-P304 VanDerWaalsContact CZ-CA 3.49Å; F141-P304 HydrophobicContact CZ-CB 3.72Å; D302-P304 VanDerWaalsContact O-CD 3.22Å; D302-P304 WeakPolarHBondContact O-CD 3.44Å; P304-P306 VanDerWaalsContact C-CD 3.42Å; P304-I307 PolarHBondContact O-N 2.93Å; P304-L308 HydrophobicContact CB-CD1 4.36Å; P304-L308 HydrophobicContact CB-CG 4.5Å; P304-L308 HydrophobicContact CG-CD1 4.22Å; P304-L308 PolarHBondContact O-N 3.43Å
305	K	93.7	Very high	89.9	Confident	116 Å²	116	54.1 Å²	54.1	50%	0.504	30%	0.304	S	S	.	.	H	α-helix	trans	-50.6	-42.3	-175.9	-176.6	178.4	-178.4	179.3	0	115.1	D303 I307 L308 Q309	D303-K305 PolarHBondContact O-N 2.86Å; D303-K305 WeakPolarHBondContact OD1-CB 3.27Å; D303-K305 PolarHBondContact OD1-N 3.41Å; D303-K305 WeakPolarHBondContact OD2-CB 3.47Å; K305-I307 PolarHBondContact O-N 2.75Å; K305-L308 PolarHBondContact O-N 3.21Å; K305-Q309 HydrophobicContact CG-CG 4.42Å; K305-Q309 WeakPolarHBondContact O-CB 3.45Å; K305-Q309 VanDerWaalsContact O-CG 3.29Å; K305-Q309 WeakPolarHBondContact O-CG 3.36Å; K305-Q309 PolarHBondContact O-N 3.44Å
306	P	93.5	Very high	89.1	Confident	22 Å²	22	53.7 Å²	53.7	14%	0.143	30%	0.304	C	S	.	.	H	α-helix	trans	-61.4	-33.5	178.3	-23.4	35.3	0	0	0	113.2	P137 Q138 D303 P304 L310	P137-P306 HydrophobicContact CB-CB 4.19Å; P137-P306 HydrophobicContact CB-CG 4.13Å; Q138-P306 HydrophobicContact CG-CB 3.85Å; Q138-P306 WeakPolarHBondContact CG-O 3.24Å; Q138-P306 PolarHBondContact NE2-O 2.86Å; D303-P306 WeakPolarHBondContact O-CD 3.37Å; P304-P306 VanDerWaalsContact C-CD 3.42Å; P306-L310 PolarHBondContact O-N 3.31Å; P306-L310 VanDerWaalsContact O-N 3.15Å
307	I	95.4	Very high	88.1	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-80.3	-41.3	178	-61.3	-51.4	0	0	0	111.3	Q138 F141 V142 L170 P304 K305 Q309 L310 L311	Q138-I307 HydrophobicContact CB-CD1 4.1Å; Q138-I307 HydrophobicContact CG-CD1 4.28Å; F141-I307 HydrophobicContact CB-CG1 4.41Å; F141-I307 HydrophobicContact CD1-CB 4.29Å; F141-I307 HydrophobicContact CD1-CD1 4.3Å; F141-I307 HydrophobicContact CD1-CG1 3.28Å; F141-I307 HydrophobicContact CE1-CB 4.39Å; F141-I307 HydrophobicContact CE1-CG1 3.8Å; F141-I307 HydrophobicContact CG-CG1 4.13Å; V142-I307 HydrophobicContact CG2-CD1 3.75Å; L170-I307 HydrophobicContact CD1-CG2 3.79Å; L170-I307 HydrophobicContact CD2-CG2 4.13Å; L170-I307 HydrophobicContact CG-CG2 4.48Å; P304-I307 PolarHBondContact O-N 2.93Å; K305-I307 PolarHBondContact O-N 2.75Å; I307-Q309 PolarHBondContact O-N 3.41Å; I307-L310 HydrophobicContact CD1-CD2 4.44Å; I307-L310 WeakPolarHBondContact O-CB 3.48Å; I307-L310 PolarHBondContact O-N 2.7Å; I307-L311 HydrophobicContact CG2-CD1 3.99Å; I307-L311 HydrophobicContact CG2-CG 4.31Å; I307-L311 WeakPolarHBondContact O-CG 3.41Å; I307-L311 PolarHBondContact O-N 3.45Å
308	L	93.5	Very high	86.9	Confident	66 Å²	66	59.2 Å²	59.2	35%	0.346	33%	0.329	S	S	.	.	H	α-helix	trans	-56.9	-42.2	171.6	-69.4	172.3	0	0	0	111	P304 K305 L310 L311 S312	P304-L308 HydrophobicContact CB-CD1 4.36Å; P304-L308 HydrophobicContact CB-CG 4.5Å; P304-L308 HydrophobicContact CG-CD1 4.22Å; P304-L308 PolarHBondContact O-N 3.43Å; K305-L308 PolarHBondContact O-N 3.21Å; L308-L310 PolarHBondContact O-N 2.68Å; L308-L311 PolarHBondContact O-N 3.27Å; L308-S312 VanDerWaalsContact O-CB 3.24Å; L308-S312 WeakPolarHBondContact O-CB 3.01Å; L308-S312 PolarHBondContact O-N 3.44Å; L308-S312 PolarHBondContact O-OG 3.09Å; L308-S312 VanDerWaalsContact O-OG 3.06Å
309	Q	91.1	Very high	85.6	Confident	110 Å²	110	63.7 Å²	63.7	51%	0.514	35%	0.352	S	S	.	.	H	α-helix	trans	-63.3	-38.8	174.3	-74.5	178.4	-20.7	0	0	113.1	K305 I307 S312 E313	K305-Q309 HydrophobicContact CG-CG 4.42Å; K305-Q309 WeakPolarHBondContact O-CB 3.45Å; K305-Q309 VanDerWaalsContact O-CG 3.29Å; K305-Q309 WeakPolarHBondContact O-CG 3.36Å; K305-Q309 PolarHBondContact O-N 3.44Å; I307-Q309 PolarHBondContact O-N 3.41Å; Q309-S312 WeakPolarHBondContact O-CB 3.27Å; Q309-E313 PolarHBondContact O-N 3.45Å
310	L	92.9	Very high	84.3	Confident	3 Å²	3	62.8 Å²	62.8	2%	0.016	35%	0.348	C	S	.	.	H	α-helix	trans	-62.7	-46.4	174.8	-176	64.7	0	0	0	111.4	I126 L130 L134 L170 P306 I307 L308 E313 L314	I126-L310 HydrophobicContact CG2-CD1 4.11Å; I126-L310 HydrophobicContact CG2-CD2 4.1Å; I126-L310 HydrophobicContact CG2-CG 4Å; L130-L310 HydrophobicContact CD1-CD1 3.52Å; L130-L310 HydrophobicContact CD1-CG 4.46Å; L134-L310 HydrophobicContact CD1-CD2 4.38Å; L134-L310 HydrophobicContact CD2-CD2 4.48Å; L134-L310 HydrophobicContact CG-CD2 4.23Å; L170-L310 HydrophobicContact CD1-CD2 4.43Å; P306-L310 PolarHBondContact O-N 3.31Å; P306-L310 VanDerWaalsContact O-N 3.15Å; I307-L310 HydrophobicContact CD1-CD2 4.44Å; I307-L310 WeakPolarHBondContact O-CB 3.48Å; I307-L310 PolarHBondContact O-N 2.7Å; L308-L310 PolarHBondContact O-N 2.68Å; L310-E313 PolarHBondContact O-N 3.45Å; L310-L314 PolarHBondContact O-N 3.15Å
311	L	92.4	Very high	83.5	Confident	4 Å²	4	64.5 Å²	64.5	2%	0.021	34%	0.34	C	S	.	.	H	α-helix	trans	-68.2	-37.5	179.2	-67.9	169	0	0	0	111.7	I126 L170 T171 I307 L308 L314 K315	I126-L311 HydrophobicContact CD1-CD2 4.38Å; L170-L311 HydrophobicContact CB-CD2 4.22Å; L170-L311 HydrophobicContact CD1-CD2 4.19Å; T171-L311 WeakPolarHBondContact O-CD1 3.39Å; I307-L311 HydrophobicContact CG2-CD1 3.99Å; I307-L311 HydrophobicContact CG2-CG 4.31Å; I307-L311 WeakPolarHBondContact O-CG 3.41Å; I307-L311 PolarHBondContact O-N 3.45Å; L308-L311 PolarHBondContact O-N 3.27Å; L311-L314 PolarHBondContact O-N 2.83Å; L311-K315 WeakPolarHBondContact O-CB 3.22Å; L311-K315 VanDerWaalsContact O-CG 3.31Å; L311-K315 WeakPolarHBondContact O-CG 3.21Å; L311-K315 PolarHBondContact O-N 2.88Å
312	S	89	Confident	82.8	Confident	39 Å²	39	64.7 Å²	64.7	27%	0.273	35%	0.346	S	S	.	.	H	α-helix	trans	-57.1	-52	170.1	-78.7	0	0	0	0	110.3	L308 Q309 L314 K315 A316 L481	L308-S312 VanDerWaalsContact O-CB 3.24Å; L308-S312 WeakPolarHBondContact O-CB 3.01Å; L308-S312 PolarHBondContact O-N 3.44Å; L308-S312 PolarHBondContact O-OG 3.09Å; L308-S312 VanDerWaalsContact O-OG 3.06Å; Q309-S312 WeakPolarHBondContact O-CB 3.27Å; S312-L314 VanDerWaalsContact C-N 3.3Å; S312-L314 PolarHBondContact O-N 3.47Å; S312-K315 PolarHBondContact O-N 2.85Å; S312-K315 VanDerWaalsContact O-N 3.11Å; S312-A316 WeakPolarHBondContact O-CB 3.38Å; S312-A316 PolarHBondContact O-N 3.03Å; S312-L481 VanDerWaalsContact CB-CD2 3.49Å; S312-L481 WeakPolarHBondContact O-CD2 3.49Å
313	E	87.5	Confident	81.9	Confident	28 Å²	28	62.7 Å²	62.7	13%	0.131	34%	0.338	C	S	.	.	H	α-helix	trans	-59.5	-39.6	177.6	-176.1	176.1	-176.2	0	0	112.5	L130 K132 Q309 L310 K315 A316 F479 S488	L130-E313 HydrophobicContact CD1-CG 4.43Å; L130-E313 HydrophobicContact CD2-CG 4Å; K132-E313 WeakPolarHBondContact CE-OE1 3.43Å; K132-E313 IonicContact NZ-OE1 2.95Å; K132-E313 PolarHBondContact NZ-OE1 2.93Å; K132-E313 IonicContact NZ-OE2 2.96Å; K132-E313 PolarHBondContact NZ-OE2 3.03Å; Q309-E313 PolarHBondContact O-N 3.45Å; L310-E313 PolarHBondContact O-N 3.45Å; E313-K315 VanDerWaalsContact C-N 3.31Å; E313-K315 PolarHBondContact O-N 3.45Å; E313-A316 PolarHBondContact O-N 2.81Å; E313-F479 HydrophobicContact CB-CZ 4.43Å; E313-F479 HydrophobicContact CG-CE1 4.16Å; E313-F479 HydrophobicContact CG-CE2 4.37Å; E313-F479 HydrophobicContact CG-CZ 3.81Å; E313-S488 PolarHBondContact OE1-OG 2.95Å
314	L	85.9	Confident	80.8	Confident	53 Å²	53	62 Å²	62	28%	0.277	33%	0.332	S	S	.	.	H	α-helix	trans	-62.4	-36.7	175.3	-175.2	70.1	0	0	0	112.8	I126 E129 L130 L310 L311 S312	I126-L314 HydrophobicContact CD1-CD2 4.36Å; I126-L314 HydrophobicContact CG1-CD2 3.92Å; I126-L314 HydrophobicContact CG2-CD1 4.4Å; I126-L314 HydrophobicContact CG2-CD2 4.49Å; E129-L314 HydrophobicContact CB-CD1 3.94Å; E129-L314 HydrophobicContact CG-CD1 3.76Å; L130-L314 HydrophobicContact CD2-CD1 4.27Å; L130-L314 HydrophobicContact CG-CD1 4.2Å; L310-L314 PolarHBondContact O-N 3.15Å; L311-L314 PolarHBondContact O-N 2.83Å; S312-L314 VanDerWaalsContact C-N 3.3Å; S312-L314 PolarHBondContact O-N 3.47Å
315	K	84.2	Confident	79.1	Confident	118 Å²	118	67.3 Å²	67.3	51%	0.513	35%	0.352	S	S	.	.	H	α-helix	trans	-82.6	-11.8	178.9	-71.2	175.4	-179.9	-178.4	0	113.6	L311 S312 E313	L311-K315 WeakPolarHBondContact O-CB 3.22Å; L311-K315 VanDerWaalsContact O-CG 3.31Å; L311-K315 WeakPolarHBondContact O-CG 3.21Å; L311-K315 PolarHBondContact O-N 2.88Å; S312-K315 PolarHBondContact O-N 2.85Å; S312-K315 VanDerWaalsContact O-N 3.11Å; E313-K315 VanDerWaalsContact C-N 3.31Å; E313-K315 PolarHBondContact O-N 3.45Å
316	A	78.1	Confident	77.6	Confident	14 Å²	14	63.4 Å²	63.4	12%	0.116	34%	0.337	C	S	.	.	S	Bend	trans	-76.1	133.8	-169.7	0	0	0	0	0	111.7	S312 E313 V318 F479 L481	S312-A316 WeakPolarHBondContact O-CB 3.38Å; S312-A316 PolarHBondContact O-N 3.03Å; E313-A316 PolarHBondContact O-N 2.81Å; A316-V318 PolarHBondContact O-N 3.47Å; A316-F479 HydrophobicContact CB-CB 3.75Å; A316-F479 HydrophobicContact CB-CD2 3.47Å; A316-F479 VanDerWaalsContact CB-CD2 3.47Å; A316-F479 HydrophobicContact CB-CE2 4.29Å; A316-F479 HydrophobicContact CB-CG 3.8Å; A316-L481 HydrophobicContact CB-CD2 4.05Å; A316-L481 HydrophobicContact CB-CG 4.16Å
317	D	70.8	Confident	75.9	Confident	134 Å²	134	67.3 Å²	67.3	72%	0.717	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.8	117.3	174.2	-70.2	-42.1	0	0	0	110.2	I319 F479	D317-I319 PolarHBondContact O-N 3.32Å; D317-F479 WeakPolarHBondContact O-CA 3.21Å; D317-F479 WeakPolarHBondContact O-CB 3.23Å
318	V	66.5	Low	73.6	Confident	83 Å²	83	69.9 Å²	69.9	50%	0.503	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	108.3	176.8	-176.9	0	0	0	0	109.5	A316 E321	A316-V318 PolarHBondContact O-N 3.47Å; V318-E321 HydrophobicContact CG1-CB 4.4Å
319	I	66	Low	71.6	Confident	95 Å²	95	73 Å²	73	49%	0.487	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	-40.6	-178.1	-46.3	165.2	0	0	0	110.9	D317 V478 V480 Q485	D317-I319 PolarHBondContact O-N 3.32Å; I319-V478 WeakPolarHBondContact CB-O 3.33Å; I319-V478 HydrophobicContact CD1-CG1 4.43Å; I319-V478 PolarHBondContact N-O 3.49Å; I319-V480 HydrophobicContact CD1-CB 4.38Å; I319-V480 HydrophobicContact CD1-CG2 3.18Å; I319-V480 HydrophobicContact CG1-CG2 3.91Å; I319-Q485 HydrophobicContact CD1-CG 4.45Å
320	A	60.9	Low	69.8	Low	43 Å²	43	70.3 Å²	70.3	36%	0.355	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	133.9	-178.4	0	0	0	0	0	110.6	R477 V478	A320-R477 CarbonylContact O-C 3.48Å; A320-R477 WeakPolarHBondContact O-CA 3.43Å; A320-V478 HydrophobicContact CB-CB 4.41Å; A320-V478 PolarHBondContact N-O 2.87Å; A320-V478 PolarHBondContact O-N 2.92Å
321	E	66.1	Low	67.8	Low	96 Å²	96	71.2 Å²	71.2	45%	0.449	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	119.8	171.3	-176.6	175.5	-167.6	0	0	108.6	V318 V323 K475 R477	V318-E321 HydrophobicContact CG1-CB 4.4Å; E321-V323 HydrophobicContact CG-CG2 4.44Å; E321-K475 IonicContact OE1-NZ 3.69Å; E321-R477 HydrophobicContact CB-CG 4.47Å; E321-R477 HydrophobicContact CG-CG 4.13Å; E321-R477 IonicContact OE1-NE 3.49Å; E321-R477 IonicContact OE1-NH2 3.56Å
322	V	67.2	Low	65.8	Low	73 Å²	73	74.5 Å²	74.5	44%	0.442	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	125	176.6	-176.2	0	0	0	0	108.4	E324 K475 T476	V322-E324 HydrophobicContact CG1-CG 4.1Å; V322-K475 CarbonylContact O-C 3.58Å; V322-K475 WeakPolarHBondContact O-CA 3.28Å; V322-T476 PolarHBondContact N-O 2.87Å; V322-T476 PolarHBondContact O-N 3.31Å
323	V	63.5	Low	64	Low	82 Å²	82	76 Å²	76	50%	0.497	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	115.3	176.2	-174	0	0	0	0	108.4	E321 T473 K475	E321-V323 HydrophobicContact CG-CG2 4.44Å; V323-T473 HydrophobicContact CG1-CG2 3.47Å; V323-T473 VanDerWaalsContact CG1-CG2 3.47Å; V323-K475 HydrophobicContact CG1-CG 4.21Å; V323-K475 HydrophobicContact CG2-CD 4.37Å; V323-K475 HydrophobicContact CG2-CG 4.07Å
324	E	65.8	Low	62.4	Low	79 Å²	79	78 Å²	78	37%	0.369	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	134.5	178	-67.8	171.3	-179.2	0	0	109.5	V322 T473 K474	V322-E324 HydrophobicContact CG1-CG 4.1Å; E324-T473 CarbonylContact O-C 3.58Å; E324-T473 WeakPolarHBondContact O-CA 3.36Å; E324-K474 HydrophobicContact CB-CB 4.34Å; E324-K474 PolarHBondContact N-O 3.46Å; E324-K474 PolarHBondContact O-N 2.91Å; E324-K474 WeakPolarHBondContact OE2-CD 3.38Å; E324-K474 IonicContact OE2-NZ 2.86Å; E324-K474 PolarHBondContact OE2-NZ 2.85Å
325	E	56.9	Low	60.6	Low	155 Å²	155	79.5 Å²	79.5	72%	0.724	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94	119.1	166.7	-71	-177.3	-174.8	0	0	108.9
326	I	62.2	Low	58.7	Low	35 Å²	35	77.2 Å²	77.2	18%	0.179	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	134.1	-179.4	-56.1	-179.2	0	0	0	108.9	A330 F331 V472 K474 Y491	I326-A330 HydrophobicContact CG2-CB 3.65Å; I326-F331 HydrophobicContact CG2-CB 4.31Å; I326-V472 PolarHBondContact N-O 3.49Å; I326-V472 PolarHBondContact O-N 3.39Å; I326-K474 HydrophobicContact CD1-CB 3.69Å; I326-K474 HydrophobicContact CD1-CD 3.57Å; I326-K474 HydrophobicContact CD1-CG 4.27Å; I326-K474 HydrophobicContact CG1-CB 4.26Å; I326-Y491 HydrophobicContact CD1-CE1 4.38Å
327	E	57	Low	57.2	Low	104 Å²	104	79.1 Å²	79.1	49%	0.486	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	138.6	170.5	-59.2	-163	157.5	0	0	110.7	E329 A330 F331 R469	E327-E329 PolarHBondContact O-N 2.97Å; E327-A330 WeakPolarHBondContact O-CB 3.15Å; E327-A330 PolarHBondContact O-N 2.89Å; E327-F331 PolarHBondContact O-N 3.44Å; E327-R469 IonicContact OE1-CZ 3.42Å; E327-R469 IonicContact OE1-NH1 3.36Å; E327-R469 PolarHBondContact OE1-NH1 3.21Å; E327-R469 IonicContact OE2-CZ 2.75Å; E327-R469 VanDerWaalsContact OE2-CZ 3.28Å; E327-R469 IonicContact OE2-NH1 3.22Å; E327-R469 PolarHBondContact OE2-NH1 3.29Å; E327-R469 IonicContact OE2-NH2 3.64Å; E327-R469 PolarHBondContact OE2-NH2 2.85Å
328	E	47.8	Very low	55.9	Low	54 Å²	54	76.4 Å²	76.4	25%	0.252	41%	0.413	S	S	.	.	H	α-helix	trans	-51	-32.1	-175.8	-175.1	178	-157.5	0	0	114.4	A330 F331 T332 R470	E328-A330 VanDerWaalsContact C-N 3.34Å; E328-A330 PolarHBondContact O-N 3.38Å; E328-F331 PolarHBondContact O-N 3.29Å; E328-T332 WeakPolarHBondContact O-CB 3.47Å; E328-T332 PolarHBondContact O-N 3.02Å; E328-T332 PolarHBondContact O-OG1 3.24Å; E328-R470 HydrophobicContact CB-CB 4.44Å; E328-R470 WeakPolarHBondContact CB-O 3.33Å; E328-R470 PolarHBondContact N-O 3.42Å; E328-R470 IonicContact OE1-NH1 3.42Å; E328-R470 WeakPolarHBondContact OE2-CB 2.96Å; E328-R470 PolarHBondContact OE2-N 2.93Å
329	E	51.7	Low	54.7	Low	130 Å²	130	75.8 Å²	75.8	61%	0.607	42%	0.417	S	S	*	.	H	α-helix	trans	-61.1	-40.7	175.2	-70.9	173	-147	0	0	111.9	E327 T333 R469	E327-E329 PolarHBondContact O-N 2.97Å; E329-T333 WeakPolarHBondContact O-CB 3.49Å; E329-T333 PolarHBondContact O-N 3.27Å; E329-T333 PolarHBondContact O-OG1 3.11Å; E329-R469 IonicContact OE1-NH2 3.03Å; E329-R469 PolarHBondContact OE1-NH2 3.04Å
330	A	52.9	Low	53.6	Low	54 Å²	54	76.3 Å²	76.3	45%	0.446	42%	0.42	S	S	.	.	H	α-helix	trans	-73.6	-35.1	175.6	0	0	0	0	0	111.9	I326 E327 E328 F334	I326-A330 HydrophobicContact CG2-CB 3.65Å; E327-A330 WeakPolarHBondContact O-CB 3.15Å; E327-A330 PolarHBondContact O-N 2.89Å; E328-A330 VanDerWaalsContact C-N 3.34Å; E328-A330 PolarHBondContact O-N 3.38Å; A330-F334 VanDerWaalsContact O-CB 3.26Å; A330-F334 WeakPolarHBondContact O-CB 3.1Å; A330-F334 PolarHBondContact O-N 3.42Å
331	F	52.2	Low	52.5	Low	22 Å²	22	83.9 Å²	83.9	10%	0.096	44%	0.439	C	S	.	.	H	α-helix	trans	-70.6	-42.2	176.9	-178.4	-110.6	0	0	0	113.1	I326 E327 E328 T333 F334 L335 V472 Y491 V493	I326-F331 HydrophobicContact CG2-CB 4.31Å; E327-F331 PolarHBondContact O-N 3.44Å; E328-F331 PolarHBondContact O-N 3.29Å; F331-T333 VanDerWaalsContact C-N 3.31Å; F331-T333 PolarHBondContact O-N 3.3Å; F331-F334 WeakPolarHBondContact O-CB 3.33Å; F331-F334 PolarHBondContact O-N 3.48Å; F331-L335 HydrophobicContact CD1-CD1 3.91Å; F331-L335 HydrophobicContact CD1-CG 4.45Å; F331-L335 HydrophobicContact CE1-CD1 3.3Å; F331-L335 HydrophobicContact CE1-CG 4Å; F331-L335 HydrophobicContact CE2-CD1 4.33Å; F331-L335 HydrophobicContact CE2-CG 4.15Å; F331-L335 HydrophobicContact CZ-CD1 3.56Å; F331-L335 HydrophobicContact CZ-CD2 4.23Å; F331-L335 HydrophobicContact CZ-CG 3.84Å; F331-L335 PolarHBondContact O-N 3.03Å; F331-V472 HydrophobicContact CB-CB 4.23Å; F331-V472 HydrophobicContact CB-CG1 4.46Å; F331-V472 HydrophobicContact CB-CG2 3.81Å; F331-V472 HydrophobicContact CD1-CG1 4.28Å; F331-V472 HydrophobicContact CD1-CG2 3.79Å; F331-V472 HydrophobicContact CD2-CB 4.49Å; F331-V472 HydrophobicContact CD2-CG1 3.82Å; F331-V472 HydrophobicContact CE1-CG1 4.47Å; F331-V472 HydrophobicContact CE1-CG2 4.47Å; F331-V472 HydrophobicContact CE2-CG1 4.08Å; F331-V472 HydrophobicContact CG-CB 4.19Å; F331-V472 HydrophobicContact CG-CG1 3.93Å; F331-V472 HydrophobicContact CG-CG2 3.79Å; F331-V472 HydrophobicContact CZ-CG1 4.38Å; F331-Y491 AromaticContact CD2-CD1 3.7Å; F331-Y491 HydrophobicContact CD2-CD1 3.7Å; F331-Y491 HydrophobicContact CD2-CE1 4.08Å; F331-Y491 HydrophobicContact CD2-CG 4.41Å; F331-Y491 AromaticContact CE2-CD1 3.3Å; F331-Y491 HydrophobicContact CE2-CD1 3.3Å; F331-Y491 HydrophobicContact CE2-CD2 4.38Å; F331-Y491 AromaticContact CE2-CE1 3.9Å; F331-Y491 HydrophobicContact CE2-CE1 3.9Å; F331-Y491 AromaticContact CE2-CG 3.58Å; F331-Y491 HydrophobicContact CE2-CG 3.58Å; F331-Y491 HydrophobicContact CZ-CD1 4.38Å; F331-Y491 HydrophobicContact CZ-CG 4.31Å; F331-V493 HydrophobicContact CD1-CG2 4.29Å; F331-V493 HydrophobicContact CE1-CG2 3.73Å; F331-V493 HydrophobicContact CZ-CG2 4.34Å
332	T	49.4	Very low	51.1	Low	74 Å²	74	86.9 Å²	86.9	45%	0.454	46%	0.459	S	S	.	.	H	α-helix	trans	-62.5	-42.9	174.7	-52.9	0	0	0	0	110.3	E328 F334 L335 C336	E328-T332 WeakPolarHBondContact O-CB 3.47Å; E328-T332 PolarHBondContact O-N 3.02Å; E328-T332 PolarHBondContact O-OG1 3.24Å; T332-F334 VanDerWaalsContact C-N 3.35Å; T332-F334 PolarHBondContact O-N 3.41Å; T332-L335 PolarHBondContact O-N 3Å; T332-C336 WeakPolarHBondContact O-CB 3.43Å; T332-C336 PolarHBondContact O-N 3.11Å; T332-C336 PolarHBondContact O-SG 3.05Å
333	T	51.4	Low	49.4	Very low	69 Å²	69	85.9 Å²	85.9	42%	0.423	46%	0.455	S	S	.	.	H	α-helix	trans	-61.2	-43.1	173.5	-56.9	0	0	0	0	111.3	E329 F331 C336 I337	E329-T333 WeakPolarHBondContact O-CB 3.49Å; E329-T333 PolarHBondContact O-N 3.27Å; E329-T333 PolarHBondContact O-OG1 3.11Å; F331-T333 VanDerWaalsContact C-N 3.31Å; F331-T333 PolarHBondContact O-N 3.3Å; T333-C336 WeakPolarHBondContact O-CB 3.39Å; T333-C336 PolarHBondContact O-N 2.96Å; T333-I337 HydrophobicContact CG2-CD1 3.96Å; T333-I337 VanDerWaalsContact O-CG1 3.24Å; T333-I337 WeakPolarHBondContact O-CG1 3.29Å; T333-I337 PolarHBondContact O-N 3.48Å
334	F	53.4	Low	47.9	Very low	71 Å²	71	88.2 Å²	88.2	31%	0.311	48%	0.475	S	S	.	.	H	α-helix	trans	-64.5	-44.5	177.3	179	-98.8	0	0	0	113.2	A330 F331 T332 C336 I337 L338 Y491	A330-F334 VanDerWaalsContact O-CB 3.26Å; A330-F334 WeakPolarHBondContact O-CB 3.1Å; A330-F334 PolarHBondContact O-N 3.42Å; F331-F334 WeakPolarHBondContact O-CB 3.33Å; F331-F334 PolarHBondContact O-N 3.48Å; T332-F334 VanDerWaalsContact C-N 3.35Å; T332-F334 PolarHBondContact O-N 3.41Å; F334-C336 VanDerWaalsContact C-N 3.34Å; F334-C336 PolarHBondContact O-N 3.4Å; F334-I337 PolarHBondContact O-N 3.18Å; F334-I337 VanDerWaalsContact O-N 3.16Å; F334-L338 HydrophobicContact CD1-CD1 3.96Å; F334-L338 HydrophobicContact CD1-CG 4.33Å; F334-L338 HydrophobicContact CE1-CD1 3.26Å; F334-L338 HydrophobicContact CE1-CG 3.86Å; F334-L338 HydrophobicContact CE2-CG 4.4Å; F334-L338 HydrophobicContact CZ-CD1 3.63Å; F334-L338 HydrophobicContact CZ-CD2 4.14Å; F334-L338 HydrophobicContact CZ-CG 3.89Å; F334-L338 PolarHBondContact O-N 3.07Å; F334-Y491 HydrophobicContact CD1-CE1 4.34Å; F334-Y491 HydrophobicContact CE1-CE1 4.1Å; F334-Y491 HydrophobicContact CE1-CE2 4.18Å; F334-Y491 AromaticContact CE1-CZ 3.52Å; F334-Y491 WeakPolarHBondContact CE1-OH 3.35Å; F334-Y491 WeakPolarHBondContact CZ-OH 3.43Å
335	L	48	Very low	46.3	Very low	85 Å²	85	89.2 Å²	89.2	45%	0.445	49%	0.486	S	S	.	.	H	α-helix	trans	-61.6	-41.2	173.8	-80.8	176.1	0	0	0	111.7	F331 T332 I337 L338 A339	F331-L335 HydrophobicContact CD1-CD1 3.91Å; F331-L335 HydrophobicContact CD1-CG 4.45Å; F331-L335 HydrophobicContact CE1-CD1 3.3Å; F331-L335 HydrophobicContact CE1-CG 4Å; F331-L335 HydrophobicContact CE2-CD1 4.33Å; F331-L335 HydrophobicContact CE2-CG 4.15Å; F331-L335 HydrophobicContact CZ-CD1 3.56Å; F331-L335 HydrophobicContact CZ-CD2 4.23Å; F331-L335 HydrophobicContact CZ-CG 3.84Å; F331-L335 PolarHBondContact O-N 3.03Å; T332-L335 PolarHBondContact O-N 3Å; L335-I337 VanDerWaalsContact C-N 3.34Å; L335-I337 PolarHBondContact O-N 3.43Å; L335-L338 PolarHBondContact O-N 3.14Å; L335-A339 WeakPolarHBondContact O-CB 3.34Å; L335-A339 PolarHBondContact O-N 3.26Å
336	C	45	Very low	45.2	Very low	70 Å²	70	90.7 Å²	90.7	47%	0.473	49%	0.493	S	S	.	.	H	α-helix	trans	-60.8	-42	172.4	-74.4	0	0	0	0	111.6	T332 T333 F334 A339 L340	T332-C336 WeakPolarHBondContact O-CB 3.43Å; T332-C336 PolarHBondContact O-N 3.11Å; T332-C336 PolarHBondContact O-SG 3.05Å; T333-C336 WeakPolarHBondContact O-CB 3.39Å; T333-C336 PolarHBondContact O-N 2.96Å; F334-C336 VanDerWaalsContact C-N 3.34Å; F334-C336 PolarHBondContact O-N 3.4Å; C336-A339 PolarHBondContact O-N 2.92Å; C336-L340 WeakPolarHBondContact O-CB 3.47Å; C336-L340 WeakPolarHBondContact O-CD1 3.47Å; C336-L340 WeakPolarHBondContact O-CG 3.37Å; C336-L340 PolarHBondContact O-N 3.3Å
337	I	46.6	Very low	43.9	Very low	54 Å²	54	93.2 Å²	93.2	28%	0.277	51%	0.509	S	S	.	.	H	α-helix	trans	-65.9	-42.3	177.5	-69.5	164.1	0	0	0	111.6	T333 F334 L335 L340 R341	T333-I337 HydrophobicContact CG2-CD1 3.96Å; T333-I337 VanDerWaalsContact O-CG1 3.24Å; T333-I337 WeakPolarHBondContact O-CG1 3.29Å; T333-I337 PolarHBondContact O-N 3.48Å; F334-I337 PolarHBondContact O-N 3.18Å; F334-I337 VanDerWaalsContact O-N 3.16Å; L335-I337 VanDerWaalsContact C-N 3.34Å; L335-I337 PolarHBondContact O-N 3.43Å; I337-L340 PolarHBondContact O-N 3.49Å; I337-R341 PolarHBondContact O-N 3.4Å
338	L	42.7	Very low	42.8	Very low	77 Å²	77	97.2 Å²	97.2	40%	0.403	53%	0.528	S	S	.	.	H	α-helix	trans	-63.9	-44.6	175.9	-74.6	-176.8	0	0	0	111.6	F334 L335 L340 R341 D342	F334-L338 HydrophobicContact CD1-CD1 3.96Å; F334-L338 HydrophobicContact CD1-CG 4.33Å; F334-L338 HydrophobicContact CE1-CD1 3.26Å; F334-L338 HydrophobicContact CE1-CG 3.86Å; F334-L338 HydrophobicContact CE2-CG 4.4Å; F334-L338 HydrophobicContact CZ-CD1 3.63Å; F334-L338 HydrophobicContact CZ-CD2 4.14Å; F334-L338 HydrophobicContact CZ-CG 3.89Å; F334-L338 PolarHBondContact O-N 3.07Å; L335-L338 PolarHBondContact O-N 3.14Å; L338-L340 PolarHBondContact O-N 3.14Å; L338-R341 PolarHBondContact O-N 2.95Å; L338-D342 PolarHBondContact O-N 3.1Å
339	A	42.3	Very low	42.3	Very low	69 Å²	69	97.1 Å²	97.1	57%	0.57	53%	0.533	S	S	*	.	H	α-helix	trans	-60.6	-34.7	174.9	0	0	0	0	0	112.2	L335 C336 S343	L335-A339 WeakPolarHBondContact O-CB 3.34Å; L335-A339 PolarHBondContact O-N 3.26Å; C336-A339 PolarHBondContact O-N 2.92Å; A339-S343 PolarHBondContact O-OG 2.91Å
340	L	42.3	Very low	41.6	Very low	106 Å²	106	97.1 Å²	97.1	56%	0.555	54%	0.537	S	S	*	.	H	α-helix	trans	-74.5	-30.6	176.9	-73.6	167.6	0	0	0	113.4	C336 I337 L338 S343	C336-L340 WeakPolarHBondContact O-CB 3.47Å; C336-L340 WeakPolarHBondContact O-CD1 3.47Å; C336-L340 WeakPolarHBondContact O-CG 3.37Å; C336-L340 PolarHBondContact O-N 3.3Å; I337-L340 PolarHBondContact O-N 3.49Å; L338-L340 PolarHBondContact O-N 3.14Å; L340-S343 WeakPolarHBondContact CA-OG 3.31Å; L340-S343 PolarHBondContact O-N 3.08Å; L340-S343 VanDerWaalsContact O-O 3.11Å; L340-S343 PolarHBondContact O-OG 3.31Å
341	R	38.9	Very low	41	Very low	202 Å²	202	98 Å²	98	76%	0.762	54%	0.544	S	S	*	.	H	α-helix	trans	-70.8	-30.8	177.8	-83.6	-175.2	176.7	-179	0.6	113.3	I337 L338 S343	I337-R341 PolarHBondContact O-N 3.4Å; L338-R341 PolarHBondContact O-N 2.95Å; R341-S343 VanDerWaalsContact C-N 3.28Å
342	D	36.3	Very low	40.7	Very low	160 Å²	160	98.5 Å²	98.5	86%	0.856	55%	0.553	S	S	*	*	H	α-helix	trans	-77	-19.4	178.7	-129.3	-0.6	0	0	0	112.3	L338	L338-D342 PolarHBondContact O-N 3.1Å
343	S	31.8	Very low	40.2	Very low	51 Å²	51	101.4 Å²	101.4	36%	0.357	56%	0.562	S	S	.	*	S	Bend	trans	-94.6	107.8	175.4	51.8	0	0	0	0	110.8	A339 L340 R341 V345	A339-S343 PolarHBondContact O-OG 2.91Å; L340-S343 WeakPolarHBondContact CA-OG 3.31Å; L340-S343 PolarHBondContact O-N 3.08Å; L340-S343 VanDerWaalsContact O-O 3.11Å; L340-S343 PolarHBondContact O-OG 3.31Å; R341-S343 VanDerWaalsContact C-N 3.28Å; S343-V345 PolarHBondContact O-N 2.95Å
344	S	31.9	Very low	39.9	Very low	132 Å²	132	101.8 Å²	101.8	92%	0.923	57%	0.567	S	S	*	*			trans	-67.2	40	175.4	69.1	0	0	0	0	114.3
345	V	32.6	Very low	39.4	Very low	100 Å²	100	100.1 Å²	100.1	61%	0.606	57%	0.567	S	S	*	*			trans	-112.4	112.5	-168.4	-161.7	0	0	0	0	110	S343 V347	S343-V345 PolarHBondContact O-N 2.95Å; V345-V347 HydrophobicContact CB-CG2 4.38Å; V345-V347 HydrophobicContact CG1-CG2 4.08Å; V345-V347 PolarHBondContact O-N 3.39Å
346	H	32	Very low	39.2	Very low	186 Å²	186	101.9 Å²	101.9	86%	0.861	58%	0.576	S	S	*	*			trans	-61.9	93.4	172	-117.2	-56.8	0	0	0	109.9
347	V	36.7	Very low	39.1	Very low	88 Å²	88	102.2 Å²	102.2	53%	0.533	58%	0.579	S	S	.	*			trans	-105.6	95	174.5	-175.3	0	0	0	0	109.6	V345 S349	V345-V347 HydrophobicContact CB-CG2 4.38Å; V345-V347 HydrophobicContact CG1-CG2 4.08Å; V345-V347 PolarHBondContact O-N 3.39Å; V347-S349 PolarHBondContact O-N 3.22Å; V347-S349 VanDerWaalsContact O-N 3.09Å
348	Q	32.4	Very low	38.9	Very low	188 Å²	188	102 Å²	102	88%	0.879	59%	0.585	S	S	*	*			trans	-72.1	89.5	164.3	-71.2	178.1	-7.1	0	0	108.7
349	S	37.9	Very low	38.9	Very low	52 Å²	52	100.1 Å²	100.1	36%	0.364	58%	0.579	S	S	.	*			trans	-138	150	168.1	75.2	0	0	0	0	111.4	V347 A351 A352 Q353	V347-S349 PolarHBondContact O-N 3.22Å; V347-S349 VanDerWaalsContact O-N 3.09Å; S349-A351 PolarHBondContact O-N 3.4Å; S349-A351 VanDerWaalsContact O-N 3.1Å; S349-A352 WeakPolarHBondContact O-CB 3.27Å; S349-A352 PolarHBondContact O-N 2.84Å; S349-Q353 PolarHBondContact O-N 2.95Å
350	N	36.8	Very low	38.7	Very low	129 Å²	129	100 Å²	100	69%	0.69	58%	0.577	S	S	*	*	H	α-helix	trans	-55.8	-28.1	-179.4	-70.5	-12	0	0	0	113	Q353 S354	N350-Q353 PolarHBondContact O-N 3.28Å; N350-S354 PolarHBondContact O-N 2.87Å; N350-S354 PolarHBondContact O-OG 2.91Å
351	A	41.1	Very low	38.5	Very low	72 Å²	72	103.4 Å²	103.4	60%	0.595	58%	0.584	S	S	*	*	H	α-helix	trans	-66.6	-35.9	175.2	0	0	0	0	0	112.5	S349 S354 A355	S349-A351 PolarHBondContact O-N 3.4Å; S349-A351 VanDerWaalsContact O-N 3.1Å; A351-S354 PolarHBondContact O-N 3.48Å; A351-A355 WeakPolarHBondContact O-CB 3.38Å; A351-A355 PolarHBondContact O-N 2.93Å
352	A	44.4	Very low	38.5	Very low	34 Å²	34	96 Å²	96	28%	0.281	57%	0.566	S	S	.	*	H	α-helix	trans	-70.7	-35.8	175.2	0	0	0	0	0	111.8	S349 A355 L356	S349-A352 WeakPolarHBondContact O-CB 3.27Å; S349-A352 PolarHBondContact O-N 2.84Å; A352-A355 PolarHBondContact O-N 2.94Å; A352-L356 WeakPolarHBondContact O-CB 3.45Å; A352-L356 PolarHBondContact O-N 2.94Å
353	Q	39.1	Very low	38.4	Very low	135 Å²	135	94.1 Å²	94.1	63%	0.631	55%	0.552	S	S	*	*	H	α-helix	trans	-67.3	-39.3	173.7	-76.6	179.8	-3.1	0	0	112.3	S349 N350 L356 S357	S349-Q353 PolarHBondContact O-N 2.95Å; N350-Q353 PolarHBondContact O-N 3.28Å; Q353-L356 PolarHBondContact O-N 3.05Å; Q353-S357 PolarHBondContact O-N 3.41Å
354	S	45.5	Very low	38.4	Very low	76 Å²	76	94.3 Å²	94.3	53%	0.531	56%	0.562	S	S	.	*	H	α-helix	trans	-66.5	-36.2	172.9	-62.4	0	0	0	0	112.6	N350 A351 S357 A358	N350-S354 PolarHBondContact O-N 2.87Å; N350-S354 PolarHBondContact O-OG 2.91Å; A351-S354 PolarHBondContact O-N 3.48Å; S354-S357 PolarHBondContact O-N 3.06Å; S354-S357 PolarHBondContact O-OG 3.3Å; S354-S357 VanDerWaalsContact O-OG 3.06Å; S354-A358 WeakPolarHBondContact O-CB 3.42Å; S354-A358 PolarHBondContact O-N 3.46Å
355	A	43.9	Very low	38.7	Very low	37 Å²	37	93.9 Å²	93.9	31%	0.306	55%	0.548	S	S	.	.	H	α-helix	trans	-67.2	-38.3	173.1	0	0	0	0	0	112.2	A351 A352 A358 S359	A351-A355 WeakPolarHBondContact O-CB 3.38Å; A351-A355 PolarHBondContact O-N 2.93Å; A352-A355 PolarHBondContact O-N 2.94Å; A355-A358 PolarHBondContact O-N 2.96Å; A355-S359 WeakPolarHBondContact O-CB 3.42Å; A355-S359 PolarHBondContact O-N 3.34Å
356	L	43.6	Very low	38.8	Very low	121 Å²	121	95.6 Å²	95.6	63%	0.634	55%	0.553	S	S	*	*	H	α-helix	trans	-68.4	-37.2	173.1	-83.6	155.5	0	0	0	112.8	A352 Q353 S359 A360	A352-L356 WeakPolarHBondContact O-CB 3.45Å; A352-L356 PolarHBondContact O-N 2.94Å; Q353-L356 PolarHBondContact O-N 3.05Å; L356-S359 VanDerWaalsContact O-CB 3.23Å; L356-S359 WeakPolarHBondContact O-CB 3.43Å; L356-S359 PolarHBondContact O-N 2.91Å; L356-A360 PolarHBondContact O-N 3.48Å
357	S	42.6	Very low	38.5	Very low	78 Å²	78	95.4 Å²	95.4	55%	0.545	55%	0.552	S	S	.	*	H	α-helix	trans	-70.5	-36	174.6	73.5	0	0	0	0	112.1	Q353 S354 S359 A360 Y361	Q353-S357 PolarHBondContact O-N 3.41Å; S354-S357 PolarHBondContact O-N 3.06Å; S354-S357 PolarHBondContact O-OG 3.3Å; S354-S357 VanDerWaalsContact O-OG 3.06Å; S357-S359 VanDerWaalsContact C-N 3.3Å; S357-A360 PolarHBondContact O-N 2.94Å; S357-Y361 PolarHBondContact O-N 3.11Å
358	A	42.6	Very low	38.2	Very low	49 Å²	49	101.4 Å²	101.4	41%	0.405	57%	0.565	S	S	.	*	H	α-helix	trans	-66.5	-33.4	170.7	0	0	0	0	0	111.5	S354 A355 Y361 A362	S354-A358 WeakPolarHBondContact O-CB 3.42Å; S354-A358 PolarHBondContact O-N 3.46Å; A355-A358 PolarHBondContact O-N 2.96Å; A358-Y361 PolarHBondContact O-N 2.98Å; A358-A362 WeakPolarHBondContact O-CB 3.41Å; A358-A362 PolarHBondContact O-N 3.34Å
359	S	41.6	Very low	38	Very low	38 Å²	38	100.8 Å²	100.8	27%	0.266	56%	0.563	S	S	.	*	H	α-helix	trans	-60.9	-45.6	170.7	-171	0	0	0	0	111.8	A355 L356 S357 Y361 A362 E363	A355-S359 WeakPolarHBondContact O-CB 3.42Å; A355-S359 PolarHBondContact O-N 3.34Å; L356-S359 VanDerWaalsContact O-CB 3.23Å; L356-S359 WeakPolarHBondContact O-CB 3.43Å; L356-S359 PolarHBondContact O-N 2.91Å; S357-S359 VanDerWaalsContact C-N 3.3Å; S359-Y361 VanDerWaalsContact C-N 3.25Å; S359-Y361 PolarHBondContact O-N 3.34Å; S359-A362 PolarHBondContact O-N 3.31Å; S359-E363 WeakPolarHBondContact O-CB 3.4Å; S359-E363 WeakPolarHBondContact O-CG 3.33Å; S359-E363 PolarHBondContact O-N 2.93Å
360	A	37.8	Very low	37.6	Very low	65 Å²	65	104.8 Å²	104.8	54%	0.537	59%	0.585	S	S	.	*	H	α-helix	trans	-63.1	-32.9	176.3	0	0	0	0	0	112.4	L356 S357 G364	L356-A360 PolarHBondContact O-N 3.48Å; S357-A360 PolarHBondContact O-N 2.94Å; A360-G364 PolarHBondContact O-N 2.92Å; A360-G364 VanDerWaalsContact O-N 3.09Å
361	Y	39.4	Very low	37.1	Very low	179 Å²	179	104.2 Å²	104.2	70%	0.702	59%	0.588	S	S	*	*	H	α-helix	trans	-74.1	-37.4	175.1	-159.8	-96.5	0	0	0	112.5	S357 A358 S359 L365	S357-Y361 PolarHBondContact O-N 3.11Å; A358-Y361 PolarHBondContact O-N 2.98Å; S359-Y361 VanDerWaalsContact C-N 3.25Å; S359-Y361 PolarHBondContact O-N 3.34Å; Y361-L365 HydrophobicContact CD1-CD1 4.34Å; Y361-L365 HydrophobicContact CE1-CD1 4.34Å; Y361-L365 PolarHBondContact O-N 3.32Å
362	A	38.3	Very low	36.5	Very low	47 Å²	47	106.4 Å²	106.4	39%	0.388	60%	0.596	S	S	.	*	H	α-helix	trans	-74	-39.4	177.1	0	0	0	0	0	112.6	A358 S359 G364 L365 I366	A358-A362 WeakPolarHBondContact O-CB 3.41Å; A358-A362 PolarHBondContact O-N 3.34Å; S359-A362 PolarHBondContact O-N 3.31Å; A362-G364 VanDerWaalsContact C-N 3.34Å; A362-L365 WeakPolarHBondContact O-CB 3.38Å; A362-L365 PolarHBondContact O-N 3.45Å; A362-I366 WeakPolarHBondContact O-CD1 3.35Å; A362-I366 WeakPolarHBondContact O-CG1 3.47Å; A362-I366 PolarHBondContact O-N 3.32Å
363	E	35.1	Very low	35.7	Very low	120 Å²	120	109.7 Å²	109.7	56%	0.561	62%	0.623	S	S	*	*	H	α-helix	trans	-66.4	-36.4	172.4	-75.4	-178.6	171.2	0	0	111.3	S359 L365 I366 E367	S359-E363 WeakPolarHBondContact O-CB 3.4Å; S359-E363 WeakPolarHBondContact O-CG 3.33Å; S359-E363 PolarHBondContact O-N 2.93Å; E363-L365 PolarHBondContact O-N 2.87Å; E363-I366 PolarHBondContact O-N 3.48Å; E363-E367 PolarHBondContact O-N 3.28Å
364	G	31.1	Very low	35	Very low	54 Å²	54	112 Å²	112	56%	0.557	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.7	-16.8	172.2	0	0	0	0	0	114.7	A360 A362	A360-G364 PolarHBondContact O-N 2.92Å; A360-G364 VanDerWaalsContact O-N 3.09Å; A362-G364 VanDerWaalsContact C-N 3.34Å
365	L	37.1	Very low	34.2	Very low	123 Å²	123	111.7 Å²	111.7	64%	0.644	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.6	-15.3	171.8	-75.3	163.3	0	0	0	112.9	Y361 A362 E363	Y361-L365 HydrophobicContact CD1-CD1 4.34Å; Y361-L365 HydrophobicContact CE1-CD1 4.34Å; Y361-L365 PolarHBondContact O-N 3.32Å; A362-L365 WeakPolarHBondContact O-CB 3.38Å; A362-L365 PolarHBondContact O-N 3.45Å; E363-L365 PolarHBondContact O-N 2.87Å
366	I	34.7	Very low	33.5	Very low	137 Å²	137	115.4 Å²	115.4	70%	0.703	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.7	-29.1	-175.4	-65.7	166.2	0	0	0	111.6	A362 E363 R368	A362-I366 WeakPolarHBondContact O-CD1 3.35Å; A362-I366 WeakPolarHBondContact O-CG1 3.47Å; A362-I366 PolarHBondContact O-N 3.32Å; E363-I366 PolarHBondContact O-N 3.48Å; I366-R368 VanDerWaalsContact C-N 3.28Å; I366-R368 PolarHBondContact O-N 3.14Å
367	E	26.7	Very low	32.5	Very low	182 Å²	182	118.4 Å²	118.4	85%	0.85	68%	0.676	S	S	*	*			trans	-83.4	67.4	171.4	-70.6	-167.9	169.4	0	0	112.1	E363	E363-E367 PolarHBondContact O-N 3.28Å
368	R	30.7	Very low	31.8	Very low	214 Å²	214	121.9 Å²	121.9	81%	0.808	69%	0.688	S	S	*	*			trans	-127.6	100.9	160	-82.7	-168.4	170.3	166	-1.1	111.5	I366	I366-R368 VanDerWaalsContact C-N 3.28Å; I366-R368 PolarHBondContact O-N 3.14Å
369	E	28.7	Very low	31.4	Very low	175 Å²	175	124.5 Å²	124.5	82%	0.818	70%	0.7	S	S	*	*			trans	69.4	85.4	149.3	-60.4	-174.1	178	0	0	118.6
370	V	28.4	Very low	30.6	Very low	136 Å²	136	127.4 Å²	127.4	82%	0.824	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-67	130.5	136.7	177.5	0	0	0	0	107.4	P372	V370-P372 WeakPolarHBondContact O-CD 3.23Å
371	P	26.9	Very low	30.1	Very low	116 Å²	116	131.6 Å²	131.6	75%	0.753	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-74.4	125.5	-166.3	26.5	-31.3	0	0	0	112.2
372	P	29	Very low	29.4	Very low	119 Å²	119	127.8 Å²	127.8	77%	0.773	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-93.4	162.1	167.2	33.7	-24.6	0	0	0	112.2	V370	V370-P372 WeakPolarHBondContact O-CD 3.23Å
373	A	26.4	Very low	28.9	Very low	103 Å²	103	135.2 Å²	135.2	85%	0.851	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-68.8	159.7	-167.7	0	0	0	0	0	116.1
374	I	24.3	Very low	28.7	Very low	184 Å²	184	134.5 Å²	134.5	94%	0.944	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-47.5	128.3	180	-61.2	160.6	0	0	0	113.9
375	G	28.1	Very low	28.3	Very low	69 Å²	69	136.5 Å²	136.5	71%	0.711	77%	0.769	S	S	*	*			trans	-175	151.8	164.1	0	0	0	0	0	112.2
376	P	30.2	Very low	27.8	Very low	114 Å²	114	138 Å²	138	74%	0.74	78%	0.777	S	S	*	*			trans	-117.8	167.7	-145.9	42.2	-31.7	0	0	0	116.9
377	F	23.6	Very low	27.6	Very low	184 Å²	184	138.8 Å²	138.8	81%	0.807	78%	0.782	S	S	*	*			trans	87.8	128	145.6	-88.5	-65.5	0	0	0	122.8
378	L	27	Very low	27.5	Very low	152 Å²	152	135.3 Å²	135.3	80%	0.796	78%	0.778	S	S	*	*			trans	95	151	140.6	-69.3	170.9	0	0	0	120.8
379	P	33.7	Very low	27.3	Very low	103 Å²	103	129.2 Å²	129.2	67%	0.669	77%	0.774	S	S	*	*			trans	-126.4	-171.5	-141.2	43	-26.4	0	0	0	114.4
380	S	24.4	Very low	27.3	Very low	100 Å²	100	126.3 Å²	126.3	70%	0.699	77%	0.772	S	S	*	*			trans	76	115.2	157.5	68.7	0	0	0	0	117.6
381	N	28.8	Very low	27.1	Very low	152 Å²	152	125.6 Å²	125.6	81%	0.813	77%	0.768	S	S	*	*				-161	125.1	110.7	-100	-24	0	0	0	112.2
382	S	24.5	Very low	27	Very low	100 Å²	100	125.7 Å²	125.7	70%	0.699	77%	0.767	S	S	*	*			trans	-73.1	142.9	167.6	47	0	0	0	0	111.8
383	F	27.1	Very low	26.9	Very low	203 Å²	203	128.9 Å²	128.9	89%	0.89	77%	0.771	S	S	*	*			trans	-141.4	151.6	146.4	-98.7	-86.8	0	0	0	110.2
384	P	31.5	Very low	26.7	Very low	105 Å²	105	131.3 Å²	131.3	68%	0.682	77%	0.768	S	S	*	*			trans	-110.3	168.5	-141.5	40.9	-35.2	0	0	0	116.1
385	S	22.5	Very low	26.8	Very low	96 Å²	96	128.4 Å²	128.4	67%	0.671	76%	0.763	S	S	*	*			trans	-28.7	144.1	156.6	51.6	0	0	0	0	118.9
386	N	26	Very low	27.5	Very low	154 Å²	154	130.3 Å²	130.3	82%	0.824	76%	0.763	S	S	*	*				-171.2	154.5	122.4	-101	-26.7	0	0	0	114.8
387	L	31.4	Very low	27.1	Very low	154 Å²	154	132.3 Å²	132.3	81%	0.806	76%	0.76	S	S	*	*			trans	88.7	100.2	171.6	-57.9	157.1	0	0	0	114.8
388	S	24.9	Very low	27.3	Very low	108 Å²	108	131.8 Å²	131.8	76%	0.755	77%	0.765	S	S	*	*				61.3	144.9	53.1	98.7	0	0	0	0	113.2
389	A	25.4	Very low	27.1	Very low	87 Å²	87	130.9 Å²	130.9	72%	0.719	76%	0.757	S	S	*	*			cis	-173.1	141.5	-19.9	0	0	0	0	0	106.7
390	S	29	Very low	26.7	Very low	113 Å²	113	130.6 Å²	130.6	79%	0.79	76%	0.757	S	S	*	*			trans	176.1	113.8	150.1	52.9	0	0	0	0	105.9
391	V	24	Very low	26.9	Very low	122 Å²	122	135.1 Å²	135.1	74%	0.739	77%	0.767	S	S	*	*			cis	56.2	107.7	48.2	-159	0	0	0	0	108.6
392	T	24.9	Very low	26.8	Very low	118 Å²	118	133.9 Å²	133.9	72%	0.724	77%	0.765	S	S	*	*				-172.9	160.3	59.8	-27.7	0	0	0	0	111.1
393	Q	27	Very low	27.1	Very low	186 Å²	186	136.3 Å²	136.3	87%	0.869	78%	0.775	S	S	*	*			trans	102.2	92.3	142.5	-100.6	170.5	-3.2	0	0	120.5
394	I	21.6	Very low	27.3	Very low	154 Å²	154	130.1 Å²	130.1	79%	0.79	77%	0.768	S	S	*	*			trans	-74.7	144.3	148.3	-66.8	160.9	0	0	0	109.6
395	C	28.2	Very low	27.1	Very low	123 Å²	123	135.7 Å²	135.7	83%	0.831	78%	0.782	S	S	*	*			trans	-171.2	159.1	138.8	-98.9	0	0	0	0	112
396	P	42	Very low	27.7	Very low	109 Å²	109	135.7 Å²	135.7	71%	0.708	79%	0.787	S	S	*	*			trans	-129.6	-176.8	-132.5	43	-27.9	0	0	0	115.6
397	F	20.9	Very low	28.1	Very low	156 Å²	156	136.3 Å²	136.3	68%	0.684	79%	0.791	S	S	*	*			trans	68.2	116.5	143	-155.9	-104.5	0	0	0	119.2	E399	F397-E399 HydrophobicContact CD1-CG 4.31Å; F397-E399 HydrophobicContact CE1-CG 3.39Å; F397-E399 HydrophobicContact CE2-CG 4.31Å; F397-E399 HydrophobicContact CZ-CG 3.39Å
398	L	27.8	Very low	28.2	Very low	172 Å²	172	137.8 Å²	137.8	90%	0.901	79%	0.794	S	S	*	*			trans	-152.1	139.5	143.7	-140.7	79.4	0	0	0	111.3
399	E	23.9	Very low	28.7	Very low	134 Å²	134	137.8 Å²	137.8	63%	0.626	79%	0.791	S	S	*	*			trans	-84.4	158.6	-165.1	-66.8	164.5	133.1	0	0	115.6	F397	F397-E399 HydrophobicContact CD1-CG 4.31Å; F397-E399 HydrophobicContact CE1-CG 3.39Å; F397-E399 HydrophobicContact CE2-CG 4.31Å; F397-E399 HydrophobicContact CZ-CG 3.39Å
400	S	24.5	Very low	29.3	Very low	96 Å²	96	139.3 Å²	139.3	67%	0.671	79%	0.793	S	S	*	*			trans	38	120.8	140.3	68.9	0	0	0	0	121
401	H	28.8	Very low	29.5	Very low	196 Å²	196	140 Å²	140	91%	0.907	80%	0.795	S	S	*	*			trans	-136.3	123.3	135.9	-96.4	-73.3	0	0	0	110.3
402	T	26.4	Very low	30	Very low	126 Å²	126	142.8 Å²	142.8	77%	0.773	80%	0.8	S	S	*	*			trans	-79.2	132.4	174.8	41.1	0	0	0	0	111
403	V	32.1	Very low	30.3	Very low	150 Å²	150	142.2 Å²	142.2	91%	0.909	80%	0.799	S	S	*	*			trans	-150.5	113.7	153.8	-178.4	0	0	0	0	110.3
404	G	29.9	Very low	30.5	Very low	73 Å²	73	139.4 Å²	139.4	75%	0.753	80%	0.797	S	S	*	*			trans	68.5	100	136.7	0	0	0	0	0	120.4
405	K	27.6	Very low	31.3	Very low	223 Å²	223	138.1 Å²	138.1	97%	0.97	79%	0.79	S	S	*	*			trans	-64.2	135.1	157.9	-74.3	177.9	170.1	-176.5	0	110.2
406	A	35.3	Very low	31.4	Very low	95 Å²	95	137.6 Å²	137.6	79%	0.785	78%	0.779	S	S	*	*			trans	-114.6	142.2	161.5	0	0	0	0	0	108	E408	A406-E408 PolarHBondContact O-N 3.24Å
407	D	33.8	Very low	31.4	Very low	168 Å²	168	141.8 Å²	141.8	90%	0.898	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-58.5	120.2	-160.5	-59.8	-62.1	0	0	0	115.1
408	E	35.2	Very low	32	Very low	185 Å²	185	142.6 Å²	142.6	86%	0.864	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-82.8	132	168.3	-164.4	172.9	-166.2	0	0	108.4	A406	A406-E408 PolarHBondContact O-N 3.24Å
409	P	33.9	Very low	32.2	Very low	107 Å²	107	140.4 Å²	140.4	70%	0.695	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-64.5	149.9	179.6	26	-32.4	0	0	0	111.2
410	P	38.1	Very low	32.7	Very low	119 Å²	119	138 Å²	138	77%	0.773	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-63.5	139.5	-171.9	24.7	-33.1	0	0	0	111.7	E412	P410-E412 PolarHBondContact O-N 3.35Å
411	P	33.5	Very low	33.1	Very low	128 Å²	128	141.7 Å²	141.7	83%	0.831	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-66.7	128.2	176.7	25.5	-31.8	0	0	0	110.8
412	E	34.6	Very low	33.3	Very low	181 Å²	181	139 Å²	139	85%	0.846	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-60.2	148	168.7	-85	-178.8	158.5	0	0	111.1	P410	P410-E412 PolarHBondContact O-N 3.35Å
413	P	32.5	Very low	33.5	Very low	106 Å²	106	137.5 Å²	137.5	69%	0.688	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-66.1	145.6	-173.5	26.4	-33.7	0	0	0	112.3	I415	P413-I415 PolarHBondContact O-N 3.16Å
414	P	30.5	Very low	33.5	Very low	127 Å²	127	139.4 Å²	139.4	83%	0.825	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-70	118.6	-177.6	28.1	-31.7	0	0	0	110.1
415	I	38.5	Very low	33.4	Very low	126 Å²	126	143.8 Å²	143.8	65%	0.646	80%	0.796	S	S	*	*			trans	-87.4	106	162.7	-56.5	174.4	0	0	0	106.2	P413 Y417	P413-I415 PolarHBondContact O-N 3.16Å; I415-Y417 HydrophobicContact CB-CD2 4.24Å; I415-Y417 HydrophobicContact CB-CE2 3.85Å; I415-Y417 HydrophobicContact CG2-CD2 3.77Å; I415-Y417 HydrophobicContact CG2-CE1 4.31Å; I415-Y417 HydrophobicContact CG2-CE2 3.22Å; I415-Y417 PolarHBondContact O-N 3.4Å; I415-Y417 VanDerWaalsContact O-N 3.16Å
416	D	29.8	Very low	33.6	Very low	113 Å²	113	138.2 Å²	138.2	60%	0.604	79%	0.791	S	S	*	*			trans	-64.4	107.9	176.3	-174.6	-0.7	0	0	0	109.9	E418	D416-E418 PolarHBondContact OD1-N 3.26Å
417	Y	42.3	Very low	33.3	Very low	196 Å²	196	137.5 Å²	137.5	77%	0.769	79%	0.794	S	S	*	*			trans	-112.9	17.2	169.6	-72.4	-70.7	0	0	0	111.8	I415 T419	I415-Y417 HydrophobicContact CB-CD2 4.24Å; I415-Y417 HydrophobicContact CB-CE2 3.85Å; I415-Y417 HydrophobicContact CG2-CD2 3.77Å; I415-Y417 HydrophobicContact CG2-CE1 4.31Å; I415-Y417 HydrophobicContact CG2-CE2 3.22Å; I415-Y417 PolarHBondContact O-N 3.4Å; I415-Y417 VanDerWaalsContact O-N 3.16Å; Y417-T419 VanDerWaalsContact C-N 3.27Å
418	E	33.1	Very low	32.9	Very low	174 Å²	174	138.8 Å²	138.8	81%	0.813	79%	0.794	S	S	*	*			trans	-81.4	-6.3	174.8	-91	-171.7	161.4	0	0	113.2	D416 A420	D416-E418 PolarHBondContact OD1-N 3.26Å; E418-A420 VanDerWaalsContact C-N 3.33Å; E418-A420 PolarHBondContact O-N 2.98Å; E418-A420 VanDerWaalsContact O-N 3.12Å
419	T	32.4	Very low	32.6	Very low	125 Å²	125	135.8 Å²	135.8	77%	0.767	79%	0.794	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.5	60.2	174.1	-5.5	0	0	0	0	113.3	Y417	Y417-T419 VanDerWaalsContact C-N 3.27Å
420	A	33.1	Very low	32.2	Very low	85 Å²	85	137.7 Å²	137.7	70%	0.702	80%	0.798	S	S	*	*	T	Hydrogen-bonded Turn	trans	-154	-6.1	160.9	0	0	0	0	0	115.7	E418	E418-A420 VanDerWaalsContact C-N 3.33Å; E418-A420 PolarHBondContact O-N 2.98Å; E418-A420 VanDerWaalsContact O-N 3.12Å
421	L	34.1	Very low	31.9	Very low	173 Å²	173	142.4 Å²	142.4	91%	0.906	81%	0.807	S	S	*	*	S	Bend	trans	-91.4	-0.6	174.4	-89.6	159	0	0	0	114
422	V	32.2	Very low	31.3	Very low	139 Å²	139	142 Å²	142	84%	0.842	81%	0.807	S	S	*	*			trans	-125.7	65.4	176.6	-165.4	0	0	0	0	110.2
423	A	31.1	Very low	30.9	Very low	95 Å²	95	138.8 Å²	138.8	79%	0.785	80%	0.803	S	S	*	*			trans	-138.7	59.8	158.7	0	0	0	0	0	108.6
424	K	31.6	Very low	30.6	Very low	190 Å²	190	139.3 Å²	139.3	83%	0.826	81%	0.805	S	S	*	*			trans	-89.9	137.5	150.1	-81.4	-175.4	174.4	178.3	0	106.4
425	D	29.3	Very low	30.4	Very low	164 Å²	164	139.4 Å²	139.4	88%	0.877	80%	0.802	S	S	*	*			trans	91.2	72.3	173.7	-52.2	-22.9	0	0	0	116.4
426	A	30.9	Very low	29.9	Very low	106 Å²	106	141 Å²	141	88%	0.876	81%	0.811	S	S	*	*			trans	-160.4	122.2	139.3	0	0	0	0	0	111.2
427	G	28.2	Very low	29.7	Very low	81 Å²	81	140.6 Å²	140.6	84%	0.835	81%	0.813	S	S	*	*			trans	102	92.7	152.7	0	0	0	0	0	117
428	Q	25.8	Very low	28.8	Very low	195 Å²	195	140.6 Å²	140.6	91%	0.911	82%	0.817	S	S	*	*			trans	-51.8	144	162.4	-64.9	155.2	-39.5	0	0	113.4
429	S	29.6	Very low	28.3	Very low	121 Å²	121	141.1 Å²	141.1	85%	0.846	82%	0.817	S	S	*	*				-162.6	143.9	119.3	59.6	0	0	0	0	110.9
430	D	25.1	Very low	28	Very low	148 Å²	148	140.7 Å²	140.7	79%	0.791	82%	0.816	S	S	*	*			trans	-67.5	131	-161.6	-61.1	-63.7	0	0	0	114.7
431	F	30.8	Very low	27.7	Very low	218 Å²	218	145.4 Å²	145.4	96%	0.956	83%	0.826	S	S	*	*				-153	100.1	129.9	-108.3	-80	0	0	0	108.7	C433	F431-C433 PolarHBondContact O-N 3.06Å
432	S	22.3	Very low	27.3	Very low	118 Å²	118	146.6 Å²	146.6	83%	0.825	82%	0.824	S	S	*	*			trans	-67.9	117.7	176.6	171.8	0	0	0	0	110.8
433	C	25.1	Very low	27.2	Very low	115 Å²	115	149.9 Å²	149.9	78%	0.777	83%	0.827	S	S	*	*			trans	-163	126	135.6	-159.5	0	0	0	0	111.3	F431	F431-C433 PolarHBondContact O-N 3.06Å
434	T	27.6	Very low	27.2	Very low	117 Å²	117	156.3 Å²	156.3	72%	0.718	83%	0.831	S	S	*	*			trans	118.3	94.6	151.4	-27.4	0	0	0	0	114.5	L436	T434-L436 PolarHBondContact O-N 3Å; T434-L436 VanDerWaalsContact O-N 3.13Å
435	V	24.9	Very low	27.1	Very low	128 Å²	128	152.2 Å²	152.2	78%	0.776	83%	0.826	S	S	*	*			trans	-63.6	99.9	167.7	178.6	0	0	0	0	108.6	V437	V435-V437 HydrophobicContact CG1-CG2 3.96Å; V435-V437 PolarHBondContact O-N 3.17Å; V435-V437 VanDerWaalsContact O-N 3.13Å
436	L	27.8	Very low	27.3	Very low	159 Å²	159	149.4 Å²	149.4	83%	0.832	81%	0.811	S	S	*	*			trans	-78.2	93.5	163.8	-73.9	176.6	0	0	0	108.7	T434 K438	T434-L436 PolarHBondContact O-N 3Å; T434-L436 VanDerWaalsContact O-N 3.13Å; L436-K438 PolarHBondContact O-N 3.17Å
437	V	25.5	Very low	27.3	Very low	106 Å²	106	149.5 Å²	149.5	64%	0.642	80%	0.797	S	S	*	*			trans	-57.5	107.2	165.9	-173.9	0	0	0	0	107.6	V435 F439	V435-V437 HydrophobicContact CG1-CG2 3.96Å; V435-V437 PolarHBondContact O-N 3.17Å; V435-V437 VanDerWaalsContact O-N 3.13Å; V437-F439 PolarHBondContact O-N 3.21Å
438	K	24.1	Very low	27.7	Very low	196 Å²	196	151.3 Å²	151.3	85%	0.852	79%	0.786	S	S	*	*			trans	-63.2	98.3	171.5	-76.4	179.6	177.4	175.1	0	108.6	L436 P440	L436-K438 PolarHBondContact O-N 3.17Å; K438-P440 WeakPolarHBondContact O-CD 3.48Å
439	F	22.4	Very low	28.1	Very low	184 Å²	184	147.3 Å²	147.3	81%	0.807	77%	0.771	S	S	*	*			trans	-62.1	124.2	160.2	-83.4	-86.3	0	0	0	108.1	V437 M441	V437-F439 PolarHBondContact O-N 3.21Å; F439-M441 PolarHBondContact O-N 3.2Å
440	P	26.4	Very low	28.4	Very low	117 Å²	117	148.1 Å²	148.1	76%	0.76	76%	0.759	S	S	*	*			trans	-68.9	104.6	175.5	26.2	-29.7	0	0	0	108.3	K438 K442	K438-P440 WeakPolarHBondContact O-CD 3.48Å; P440-K442 PolarHBondContact O-N 3.24Å
441	M	26.2	Very low	28.7	Very low	184 Å²	184	149.3 Å²	149.3	91%	0.906	75%	0.754	S	S	*	*			trans	-55.1	113.3	164.9	-83.9	-172.8	-171.5	0	0	107.7	F439 K443	F439-M441 PolarHBondContact O-N 3.2Å; M441-K443 PolarHBondContact O-N 3.37Å
442	K	26.3	Very low	29	Very low	198 Å²	198	143.4 Å²	143.4	86%	0.861	74%	0.736	S	S	*	*			trans	-49.8	114.2	165.2	-76.5	178.5	176.8	176.5	0	106.8	P440 R444	P440-K442 PolarHBondContact O-N 3.24Å; K442-R444 PolarHBondContact O-N 3.02Å
443	K	29.9	Very low	29.4	Very low	207 Å²	207	145.9 Å²	145.9	90%	0.9	73%	0.731	S	S	*	*			trans	-50.8	106	169.3	-73.1	-177.6	176.4	-179.4	0	106.8	M441 S445	M441-K443 PolarHBondContact O-N 3.37Å; K443-S445 PolarHBondContact O-N 2.87Å; K443-S445 VanDerWaalsContact O-N 3.12Å
444	R	31.1	Very low	29.7	Very low	231 Å²	231	146.4 Å²	146.4	87%	0.872	72%	0.723	S	S	*	*			trans	-55.9	120	166.9	-79.7	-177.4	171.2	-178.4	-3.1	105.5	K442 N446	K442-R444 PolarHBondContact O-N 3.02Å; R444-N446 VanDerWaalsContact C-N 3.28Å; R444-N446 PolarHBondContact O-N 3.44Å
445	S	29.9	Very low	30	Very low	103 Å²	103	146.5 Å²	146.5	72%	0.72	72%	0.723	S	S	*	*			trans	-63.2	96	174.2	-177.8	0	0	0	0	107	K443 N447	K443-S445 PolarHBondContact O-N 2.87Å; K443-S445 VanDerWaalsContact O-N 3.12Å; S445-N447 VanDerWaalsContact C-N 3.29Å; S445-N447 PolarHBondContact O-N 3.28Å
446	N	32.8	Very low	30.5	Very low	106 Å²	106	144.3 Å²	144.3	57%	0.567	72%	0.718	S	S	*	*			trans	-63.8	96.6	168.2	-78.1	-12	0	0	0	106.6	R444 I448 D449	R444-N446 VanDerWaalsContact C-N 3.28Å; R444-N446 PolarHBondContact O-N 3.44Å; N446-I448 PolarHBondContact O-N 3.49Å; N446-D449 PolarHBondContact O-N 3.04Å; N446-D449 VanDerWaalsContact O-N 3.09Å
447	N	31.5	Very low	30.5	Very low	107 Å²	107	143.1 Å²	143.1	57%	0.572	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.7	-14.1	173.5	-96.9	-19.6	0	0	0	112.2	S445 D449 K450 Y451	S445-N447 VanDerWaalsContact C-N 3.29Å; S445-N447 PolarHBondContact O-N 3.28Å; N447-D449 VanDerWaalsContact C-N 3.34Å; N447-D449 PolarHBondContact O-N 3.22Å; N447-K450 PolarHBondContact O-N 3.23Å; N447-Y451 WeakPolarHBondContact O-CD2 3.49Å
448	I	35.7	Very low	30.8	Very low	120 Å²	120	141.8 Å²	141.8	62%	0.615	72%	0.721	S	S	*	*	H	α-helix	trans	-62	-35.3	174.5	-58.6	173.1	0	0	0	112.2	N446 K450 Y451 V452	N446-I448 PolarHBondContact O-N 3.49Å; I448-K450 PolarHBondContact O-N 3.15Å; I448-Y451 PolarHBondContact O-N 2.85Å; I448-Y451 VanDerWaalsContact O-N 3.13Å; I448-V452 HydrophobicContact CG2-CG2 4.49Å; I448-V452 PolarHBondContact O-N 3.05Å; I448-V452 VanDerWaalsContact O-N 3.13Å
449	D	36	Very low	31	Very low	111 Å²	111	140.3 Å²	140.3	59%	0.594	72%	0.722	S	S	*	*	H	α-helix	trans	-69.4	-22.6	-179.5	-79.8	-23.4	0	0	0	112.9	N446 N447	N446-D449 PolarHBondContact O-N 3.04Å; N446-D449 VanDerWaalsContact O-N 3.09Å; N447-D449 VanDerWaalsContact C-N 3.34Å; N447-D449 PolarHBondContact O-N 3.22Å
450	K	34.3	Very low	31.6	Very low	138 Å²	138	135.1 Å²	135.1	60%	0.6	71%	0.709	S	S	*	*	H	α-helix	trans	-75	-38.5	173.4	-148.4	179.9	-178.1	-173.8	0	111	N447 I448 K453 E454	N447-K450 PolarHBondContact O-N 3.23Å; I448-K450 PolarHBondContact O-N 3.15Å; K450-K453 PolarHBondContact O-N 3.16Å; K450-E454 PolarHBondContact O-N 2.99Å
451	Y	32.1	Very low	32	Very low	172 Å²	172	138.1 Å²	138.1	68%	0.675	72%	0.717	S	S	*	*	H	α-helix	trans	-66	-36.4	176.5	-79.5	-77	0	0	0	113.1	N447 I448 T455	N447-Y451 WeakPolarHBondContact O-CD2 3.49Å; I448-Y451 PolarHBondContact O-N 2.85Å; I448-Y451 VanDerWaalsContact O-N 3.13Å; Y451-T455 PolarHBondContact O-OG1 2.97Å
452	V	36.9	Very low	32.5	Very low	95 Å²	95	136 Å²	136	58%	0.576	71%	0.709	S	S	*	*	H	α-helix	trans	-70.9	-31.9	178.8	179	0	0	0	0	112	I448 T455	I448-V452 HydrophobicContact CG2-CG2 4.49Å; I448-V452 PolarHBondContact O-N 3.05Å; I448-V452 VanDerWaalsContact O-N 3.13Å; V452-T455 PolarHBondContact O-OG1 3.03Å
453	K	31.7	Very low	32.9	Very low	169 Å²	169	131.2 Å²	131.2	74%	0.735	71%	0.706	S	S	*	*	H	α-helix	trans	-79	-31.3	179.4	-76.8	-176.5	178	177.9	0	113.8	K450 T455 A456	K450-K453 PolarHBondContact O-N 3.16Å; K453-T455 VanDerWaalsContact C-N 3.33Å; K453-A456 PolarHBondContact O-N 2.92Å
454	E	30.3	Very low	33	Very low	127 Å²	127	132.6 Å²	132.6	59%	0.593	71%	0.706	S	S	*	*	H	α-helix	trans	-76	-20.4	178.8	-76.1	176.8	-175.9	0	0	113	K450 A456	K450-E454 PolarHBondContact O-N 2.99Å; E454-A456 VanDerWaalsContact C-N 3.28Å; E454-A456 PolarHBondContact O-N 3.32Å
455	T	33.7	Very low	33.1	Very low	118 Å²	118	131.8 Å²	131.8	72%	0.724	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	-12.3	174.1	47.2	0	0	0	0	115.1	Y451 V452 K453	Y451-T455 PolarHBondContact O-OG1 2.97Å; V452-T455 PolarHBondContact O-OG1 3.03Å; K453-T455 VanDerWaalsContact C-N 3.33Å
456	A	35.7	Very low	33.4	Very low	82 Å²	82	132.3 Å²	132.3	68%	0.678	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.9	-23.7	179.1	0	0	0	0	0	113.5	K453 E454	K453-A456 PolarHBondContact O-N 2.92Å; E454-A456 VanDerWaalsContact C-N 3.28Å; E454-A456 PolarHBondContact O-N 3.32Å
457	N	27.3	Very low	33.8	Very low	134 Å²	134	131.4 Å²	131.4	72%	0.717	70%	0.697	S	S	*	*	S	Bend	trans	-100	104	178.6	-76.3	-12.7	0	0	0	109	N459	N457-N459 PolarHBondContact O-N 2.92Å
458	G	32.6	Very low	34.2	Very low	79 Å²	79	133.9 Å²	133.9	81%	0.814	71%	0.705	S	S	*	*	S	Bend	trans	-60.4	38.1	-167.9	0	0	0	0	0	119.3
459	N	27.6	Very low	34.5	Very low	164 Å²	164	134.2 Å²	134.2	88%	0.877	70%	0.699	S	S	*	*			trans	-111.6	72.8	169.1	-79	-4.3	0	0	0	109.8	N457	N457-N459 PolarHBondContact O-N 2.92Å
460	S	34.9	Very low	35.1	Very low	76 Å²	76	135 Å²	135	53%	0.531	69%	0.693	S	S	.	*			trans	-114	103.2	172.3	-171.5	0	0	0	0	111.2	L462	S460-L462 PolarHBondContact O-N 3.44Å; S460-L462 WeakPolarHBondContact OG-CB 3.47Å; S460-L462 PolarHBondContact OG-N 3.47Å
461	L	35.2	Very low	35.9	Very low	179 Å²	179	130.5 Å²	130.5	94%	0.937	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.7	-0.5	163.9	-85.5	161.5	0	0	0	113
462	L	37.1	Very low	36.9	Very low	140 Å²	140	122.3 Å²	122.3	73%	0.733	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.5	3.4	178.9	-58.7	174.5	0	0	0	114.4	S460 R464	S460-L462 PolarHBondContact O-N 3.44Å; S460-L462 WeakPolarHBondContact OG-CB 3.47Å; S460-L462 PolarHBondContact OG-N 3.47Å; L462-R464 PolarHBondContact O-N 3.24Å
463	A	34.4	Very low	38.2	Very low	97 Å²	97	118.8 Å²	118.8	80%	0.802	62%	0.624	S	S	*	*	S	Bend	trans	-71.7	6.1	176.4	0	0	0	0	0	114.9
464	R	31.3	Very low	39.8	Very low	236 Å²	236	112.7 Å²	112.7	89%	0.891	60%	0.598	S	S	*	*			trans	-119.3	61.6	173.6	-81	-174.6	160.1	-162.9	-2.6	111.2	L462 N466	L462-R464 PolarHBondContact O-N 3.24Å; R464-N466 PolarHBondContact O-N 2.79Å
465	R	34	Very low	41.6	Very low	215 Å²	215	109 Å²	109	81%	0.811	58%	0.58	S	S	*	*			trans	-74.9	116.5	160.9	-87.8	-175.4	166.4	175.9	-4.9	108.7
466	N	35.6	Very low	43.2	Very low	113 Å²	113	104.4 Å²	104.4	60%	0.604	55%	0.552	S	S	*	*			trans	-72	126.3	174.6	-162.5	9.5	0	0	0	107.9	R464 H468 R469	R464-N466 PolarHBondContact O-N 2.79Å; N466-H468 PolarHBondContact O-N 3.41Å; N466-R469 PolarHBondContact O-N 2.99Å
467	P	42	Very low	44.8	Very low	87 Å²	87	102.3 Å²	102.3	57%	0.565	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	22.6	-173.8	26.7	-36.3	0	0	0	115.3
468	H	39.7	Very low	46.8	Very low	159 Å²	159	97.6 Å²	97.6	74%	0.736	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.2	9.9	176	-71.4	33.1	0	0	0	111.9	N466	N466-H468 PolarHBondContact O-N 3.41Å
469	R	42.2	Very low	48.7	Very low	128 Å²	128	94.2 Å²	94.2	48%	0.483	47%	0.465	S	S	.	.			trans	-95.4	107	178.4	-115.7	-178.7	178.6	-132.3	-10.3	109.7	E327 E329 N466	E327-R469 IonicContact OE1-CZ 3.42Å; E327-R469 IonicContact OE1-NH1 3.36Å; E327-R469 PolarHBondContact OE1-NH1 3.21Å; E327-R469 IonicContact OE2-CZ 2.75Å; E327-R469 VanDerWaalsContact OE2-CZ 3.28Å; E327-R469 IonicContact OE2-NH1 3.22Å; E327-R469 PolarHBondContact OE2-NH1 3.29Å; E327-R469 IonicContact OE2-NH2 3.64Å; E327-R469 PolarHBondContact OE2-NH2 2.85Å; E329-R469 IonicContact OE1-NH2 3.03Å; E329-R469 PolarHBondContact OE1-NH2 3.04Å; N466-R469 PolarHBondContact O-N 2.99Å
470	R	49.1	Very low	50.3	Low	127 Å²	127	89.1 Å²	89.1	48%	0.479	44%	0.44	S	S	.	.			trans	-86.1	150.5	173.8	-63.4	-172.1	179.2	111.4	-3.4	111.3	E328 M494	E328-R470 HydrophobicContact CB-CB 4.44Å; E328-R470 WeakPolarHBondContact CB-O 3.33Å; E328-R470 PolarHBondContact N-O 3.42Å; E328-R470 IonicContact OE1-NH1 3.42Å; E328-R470 WeakPolarHBondContact OE2-CB 2.96Å; E328-R470 PolarHBondContact OE2-N 2.93Å; R470-M494 WeakPolarHBondContact CA-O 3.31Å; R470-M494 WeakPolarHBondContact CB-O 3.21Å; R470-M494 WeakPolarHBondContact CG-O 3.42Å
471	T	50.1	Low	51.5	Low	43 Å²	43	87.3 Å²	87.3	26%	0.264	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	138.5	175	45.1	0	0	0	0	110	M494	T471-M494 WeakPolarHBondContact O-CB 3.48Å; T471-M494 WeakPolarHBondContact O-CG 3.48Å; T471-M494 PolarHBondContact O-N 2.97Å; T471-M494 PolarHBondContact OG1-SD 2.94Å
472	V	54.5	Low	52.8	Low	0 Å²	0	86.5 Å²	86.5	0%	0	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	118.1	177.3	-176.3	0	0	0	0	109	I326 F331 Y491 H492 V493	I326-V472 PolarHBondContact N-O 3.49Å; I326-V472 PolarHBondContact O-N 3.39Å; F331-V472 HydrophobicContact CB-CB 4.23Å; F331-V472 HydrophobicContact CB-CG1 4.46Å; F331-V472 HydrophobicContact CB-CG2 3.81Å; F331-V472 HydrophobicContact CD1-CG1 4.28Å; F331-V472 HydrophobicContact CD1-CG2 3.79Å; F331-V472 HydrophobicContact CD2-CB 4.49Å; F331-V472 HydrophobicContact CD2-CG1 3.82Å; F331-V472 HydrophobicContact CE1-CG1 4.47Å; F331-V472 HydrophobicContact CE1-CG2 4.47Å; F331-V472 HydrophobicContact CE2-CG1 4.08Å; F331-V472 HydrophobicContact CG-CB 4.19Å; F331-V472 HydrophobicContact CG-CG1 3.93Å; F331-V472 HydrophobicContact CG-CG2 3.79Å; F331-V472 HydrophobicContact CZ-CG1 4.38Å; V472-Y491 HydrophobicContact CG1-CD1 4.24Å; V472-H492 CarbonylContact C-O 3.49Å; V472-H492 VanDerWaalsContact CA-O 3.24Å; V472-H492 WeakPolarHBondContact CA-O 3.2Å; V472-V493 HydrophobicContact CG1-CG2 4.31Å; V472-V493 HydrophobicContact CG2-CB 4.4Å; V472-V493 HydrophobicContact CG2-CG1 4.31Å; V472-V493 HydrophobicContact CG2-CG2 3.99Å
473	T	62.5	Low	54	Low	22 Å²	22	83.1 Å²	83.1	14%	0.135	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	120	171	-49.2	0	0	0	0	109.1	V323 E324 K475 Y491 H492	V323-T473 HydrophobicContact CG1-CG2 3.47Å; V323-T473 VanDerWaalsContact CG1-CG2 3.47Å; E324-T473 CarbonylContact O-C 3.58Å; E324-T473 WeakPolarHBondContact O-CA 3.36Å; T473-K475 HydrophobicContact CG2-CG 4.39Å; T473-Y491 CarbonylContact O-C 3.58Å; T473-Y491 WeakPolarHBondContact O-CA 3.48Å; T473-H492 PolarHBondContact N-O 2.9Å; T473-H492 PolarHBondContact O-N 2.85Å
474	K	65.6	Low	55.3	Low	40 Å²	40	83 Å²	83	17%	0.174	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	118.9	171	176	-171.3	166.7	-150.2	0	108.7	E324 I326 T476 T489 T490 Y491	E324-K474 HydrophobicContact CB-CB 4.34Å; E324-K474 PolarHBondContact N-O 3.46Å; E324-K474 PolarHBondContact O-N 2.91Å; E324-K474 WeakPolarHBondContact OE2-CD 3.38Å; E324-K474 IonicContact OE2-NZ 2.86Å; E324-K474 PolarHBondContact OE2-NZ 2.85Å; I326-K474 HydrophobicContact CD1-CB 3.69Å; I326-K474 HydrophobicContact CD1-CD 3.57Å; I326-K474 HydrophobicContact CD1-CG 4.27Å; I326-K474 HydrophobicContact CG1-CB 4.26Å; K474-T476 WeakPolarHBondContact CE-OG1 3.34Å; K474-T489 HydrophobicContact CD-CG2 4.04Å; K474-T489 HydrophobicContact CG-CG2 3.6Å; K474-T490 CarbonylContact C-O 3.56Å; K474-T490 WeakPolarHBondContact CA-O 3.25Å; K474-Y491 HydrophobicContact CB-CD1 3.84Å; K474-Y491 HydrophobicContact CB-CE1 3.85Å; K474-Y491 HydrophobicContact CD-CD1 4.45Å; K474-Y491 HydrophobicContact CD-CE1 3.62Å; K474-Y491 HydrophobicContact CG-CD1 3.93Å; K474-Y491 HydrophobicContact CG-CE1 3.53Å
475	K	69.5	Low	57	Low	50 Å²	50	78.5 Å²	78.5	22%	0.217	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	123.2	171.6	-65.5	-164.9	176.1	-169	0	109.5	E131 E321 V322 V323 T473 T489 T490	E131-K475 IonicContact OE2-NZ 3.5Å; E131-K475 PolarHBondContact OE2-NZ 3.04Å; E321-K475 IonicContact OE1-NZ 3.69Å; V322-K475 CarbonylContact O-C 3.58Å; V322-K475 WeakPolarHBondContact O-CA 3.28Å; V323-K475 HydrophobicContact CG1-CG 4.21Å; V323-K475 HydrophobicContact CG2-CD 4.37Å; V323-K475 HydrophobicContact CG2-CG 4.07Å; T473-K475 HydrophobicContact CG2-CG 4.39Å; K475-T489 CarbonylContact O-C 3.59Å; K475-T489 WeakPolarHBondContact O-CA 2.9Å; K475-T490 PolarHBondContact N-O 2.89Å; K475-T490 PolarHBondContact O-N 3.14Å
476	T	65.9	Low	58.7	Low	22 Å²	22	70.9 Å²	70.9	14%	0.135	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	116.3	175.8	-49.1	0	0	0	0	108.6	V322 K474 T487 S488	V322-T476 PolarHBondContact N-O 2.87Å; V322-T476 PolarHBondContact O-N 3.31Å; K474-T476 WeakPolarHBondContact CE-OG1 3.34Å; T476-T487 HydrophobicContact CG2-CG2 3.39Å; T476-S488 CarbonylContact C-O 3.54Å; T476-S488 WeakPolarHBondContact CA-O 3.38Å
477	R	69.1	Low	60.4	Low	37 Å²	37	69.4 Å²	69.4	14%	0.14	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	133.1	174.7	-66.1	-178.6	-177.9	155.2	1.6	109.5	L130 E131 A320 E321 F479 T487 S488	L130-R477 PolarHBondContact O-NH1 3.2Å; E131-R477 IonicContact OE2-NH2 3.73Å; A320-R477 CarbonylContact O-C 3.48Å; A320-R477 WeakPolarHBondContact O-CA 3.43Å; E321-R477 HydrophobicContact CB-CG 4.47Å; E321-R477 HydrophobicContact CG-CG 4.13Å; E321-R477 IonicContact OE1-NE 3.49Å; E321-R477 IonicContact OE1-NH2 3.56Å; R477-F479 HydrophobicContact CB-CD1 4.28Å; R477-T487 CarbonylContact O-C 3.52Å; R477-T487 VanDerWaalsContact O-CA 3.31Å; R477-T487 WeakPolarHBondContact O-CA 3.23Å; R477-S488 PolarHBondContact N-O 3.06Å; R477-S488 PolarHBondContact O-N 3.3Å
478	V	70.7	Confident	61.7	Low	35 Å²	35	66.4 Å²	66.4	21%	0.212	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	122.5	169.7	-176	0	0	0	0	107.8	I319 A320 Q485 V486 T487	I319-V478 WeakPolarHBondContact CB-O 3.33Å; I319-V478 HydrophobicContact CD1-CG1 4.43Å; I319-V478 PolarHBondContact N-O 3.49Å; A320-V478 HydrophobicContact CB-CB 4.41Å; A320-V478 PolarHBondContact N-O 2.87Å; A320-V478 PolarHBondContact O-N 2.92Å; V478-Q485 HydrophobicContact CG1-CB 4.44Å; V478-V486 WeakPolarHBondContact CA-O 3.42Å; V478-T487 HydrophobicContact CG2-CG2 4.01Å
479	F	71.2	Confident	63.1	Low	9 Å²	9	61.5 Å²	61.5	4%	0.039	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	155.8	-179.2	49.2	-96.4	0	0	0	111.2	E313 A316 D317 R477 L481 Q485 V486	E313-F479 HydrophobicContact CB-CZ 4.43Å; E313-F479 HydrophobicContact CG-CE1 4.16Å; E313-F479 HydrophobicContact CG-CE2 4.37Å; E313-F479 HydrophobicContact CG-CZ 3.81Å; A316-F479 HydrophobicContact CB-CB 3.75Å; A316-F479 HydrophobicContact CB-CD2 3.47Å; A316-F479 VanDerWaalsContact CB-CD2 3.47Å; A316-F479 HydrophobicContact CB-CE2 4.29Å; A316-F479 HydrophobicContact CB-CG 3.8Å; D317-F479 WeakPolarHBondContact O-CA 3.21Å; D317-F479 WeakPolarHBondContact O-CB 3.23Å; R477-F479 HydrophobicContact CB-CD1 4.28Å; F479-L481 HydrophobicContact CD2-CD1 4.02Å; F479-L481 HydrophobicContact CD2-CG 3.99Å; F479-L481 HydrophobicContact CE2-CD1 3.57Å; F479-L481 HydrophobicContact CE2-CG 4.07Å; F479-Q485 WeakPolarHBondContact O-CA 3.34Å; F479-V486 HydrophobicContact CD2-CB 4.08Å; F479-V486 HydrophobicContact CE2-CB 3.67Å; F479-V486 HydrophobicContact CE2-CG1 3.78Å; F479-V486 HydrophobicContact CZ-CB 4.22Å; F479-V486 HydrophobicContact CZ-CG1 3.91Å; F479-V486 PolarHBondContact N-O 3.3Å; F479-V486 PolarHBondContact O-N 3.39Å
480	V	61.7	Low	63.9	Low	57 Å²	57	57.8 Å²	57.8	35%	0.345	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	128.8	175.3	-171.4	0	0	0	0	109.4	I319 V484	I319-V480 HydrophobicContact CD1-CB 4.38Å; I319-V480 HydrophobicContact CD1-CG2 3.18Å; I319-V480 HydrophobicContact CG1-CG2 3.91Å; V480-V484 WeakPolarHBondContact CA-O 3.49Å
481	L	60.5	Low	64.3	Low	37 Å²	37	54.9 Å²	54.9	19%	0.194	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	117.8	169.3	-84.5	172.1	0	0	0	109.5	S312 A316 F479 G483 V484 V486	S312-L481 VanDerWaalsContact CB-CD2 3.49Å; S312-L481 WeakPolarHBondContact O-CD2 3.49Å; A316-L481 HydrophobicContact CB-CD2 4.05Å; A316-L481 HydrophobicContact CB-CG 4.16Å; F479-L481 HydrophobicContact CD2-CD1 4.02Å; F479-L481 HydrophobicContact CD2-CG 3.99Å; F479-L481 HydrophobicContact CE2-CD1 3.57Å; F479-L481 HydrophobicContact CE2-CG 4.07Å; L481-G483 PolarHBondContact O-N 3.12Å; L481-V484 PolarHBondContact N-O 3.31Å; L481-V484 WeakPolarHBondContact O-CA 3.29Å; L481-V484 WeakPolarHBondContact O-CB 3.37Å; L481-V484 PolarHBondContact O-N 3.47Å; L481-V486 HydrophobicContact CB-CG2 4.33Å; L481-V486 HydrophobicContact CD1-CB 4.45Å; L481-V486 HydrophobicContact CD1-CG2 4.15Å
482	D	61.4	Low	64.3	Low	163 Å²	163	57.4 Å²	57.4	87%	0.872	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.8	36.2	179	-57.4	-30.9	0	0	0	113.5
483	G	62.3	Low	64.1	Low	69 Å²	69	60.6 Å²	60.6	71%	0.711	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.6	-6.1	-177.5	0	0	0	0	0	115.9	L481	L481-G483 PolarHBondContact O-N 3.12Å
484	V	62.8	Low	63.1	Low	93 Å²	93	60.1 Å²	60.1	56%	0.564	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.7	130.1	177.8	-177.3	0	0	0	0	110.1	V480 L481	V480-V484 WeakPolarHBondContact CA-O 3.49Å; L481-V484 PolarHBondContact N-O 3.31Å; L481-V484 WeakPolarHBondContact O-CA 3.29Å; L481-V484 WeakPolarHBondContact O-CB 3.37Å; L481-V484 PolarHBondContact O-N 3.47Å
485	Q	67.6	Low	61.8	Low	142 Å²	142	59.9 Å²	59.9	66%	0.664	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.6	125.1	173	-70	-177.6	6.6	0	0	110.5	I319 V478 F479	I319-Q485 HydrophobicContact CD1-CG 4.45Å; V478-Q485 HydrophobicContact CG1-CB 4.44Å; F479-Q485 WeakPolarHBondContact O-CA 3.34Å
486	V	69.1	Low	60.6	Low	55 Å²	55	62.2 Å²	62.2	33%	0.333	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	136.9	176.8	-179.6	0	0	0	0	109	V478 F479 L481	V478-V486 WeakPolarHBondContact CA-O 3.42Å; F479-V486 HydrophobicContact CD2-CB 4.08Å; F479-V486 HydrophobicContact CE2-CB 3.67Å; F479-V486 HydrophobicContact CE2-CG1 3.78Å; F479-V486 HydrophobicContact CZ-CB 4.22Å; F479-V486 HydrophobicContact CZ-CG1 3.91Å; F479-V486 PolarHBondContact N-O 3.3Å; F479-V486 PolarHBondContact O-N 3.39Å; L481-V486 HydrophobicContact CB-CG2 4.33Å; L481-V486 HydrophobicContact CD1-CB 4.45Å; L481-V486 HydrophobicContact CD1-CG2 4.15Å
487	T	70.6	Confident	59.6	Low	83 Å²	83	67.6 Å²	67.6	51%	0.509	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	120.7	-180	-51.5	0	0	0	0	109.8	T476 R477 V478	T476-T487 HydrophobicContact CG2-CG2 3.39Å; R477-T487 CarbonylContact O-C 3.52Å; R477-T487 VanDerWaalsContact O-CA 3.31Å; R477-T487 WeakPolarHBondContact O-CA 3.23Å; V478-T487 HydrophobicContact CG2-CG2 4.01Å
488	S	69.9	Low	58.4	Low	24 Å²	24	67.9 Å²	67.9	17%	0.168	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	126.8	173.9	-176.1	0	0	0	0	109.5	E313 T476 R477	E313-S488 PolarHBondContact OE1-OG 2.95Å; T476-S488 CarbonylContact C-O 3.54Å; T476-S488 WeakPolarHBondContact CA-O 3.38Å; R477-S488 PolarHBondContact N-O 3.06Å; R477-S488 PolarHBondContact O-N 3.3Å
489	T	69.4	Low	57.4	Low	55 Å²	55	69.2 Å²	69.2	34%	0.337	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	119.5	178.7	-51.7	0	0	0	0	109.9	K474 K475 Y491	K474-T489 HydrophobicContact CD-CG2 4.04Å; K474-T489 HydrophobicContact CG-CG2 3.6Å; K475-T489 CarbonylContact O-C 3.59Å; K475-T489 WeakPolarHBondContact O-CA 2.9Å; T489-Y491 HydrophobicContact CG2-CD2 4.36Å; T489-Y491 HydrophobicContact CG2-CE1 4.49Å; T489-Y491 HydrophobicContact CG2-CE2 3.56Å
490	T	58.1	Low	56.5	Low	50 Å²	50	73.4 Å²	73.4	31%	0.307	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	140.8	179.3	-54.3	0	0	0	0	110.1	K132 K474 K475	K132-T490 HydrophobicContact CB-CG2 4.48Å; K474-T490 CarbonylContact C-O 3.56Å; K474-T490 WeakPolarHBondContact CA-O 3.25Å; K475-T490 PolarHBondContact N-O 2.89Å; K475-T490 PolarHBondContact O-N 3.14Å
491	Y	57.5	Low	56.3	Low	66 Å²	66	73.5 Å²	73.5	26%	0.259	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	136.4	-178.9	-61.7	-96.9	0	0	0	110.5	I326 F331 F334 V472 T473 K474 T489	I326-Y491 HydrophobicContact CD1-CE1 4.38Å; F331-Y491 AromaticContact CD2-CD1 3.7Å; F331-Y491 HydrophobicContact CD2-CD1 3.7Å; F331-Y491 HydrophobicContact CD2-CE1 4.08Å; F331-Y491 HydrophobicContact CD2-CG 4.41Å; F331-Y491 AromaticContact CE2-CD1 3.3Å; F331-Y491 HydrophobicContact CE2-CD1 3.3Å; F331-Y491 HydrophobicContact CE2-CD2 4.38Å; F331-Y491 AromaticContact CE2-CE1 3.9Å; F331-Y491 HydrophobicContact CE2-CE1 3.9Å; F331-Y491 AromaticContact CE2-CG 3.58Å; F331-Y491 HydrophobicContact CE2-CG 3.58Å; F331-Y491 HydrophobicContact CZ-CD1 4.38Å; F331-Y491 HydrophobicContact CZ-CG 4.31Å; F334-Y491 HydrophobicContact CD1-CE1 4.34Å; F334-Y491 HydrophobicContact CE1-CE1 4.1Å; F334-Y491 HydrophobicContact CE1-CE2 4.18Å; F334-Y491 AromaticContact CE1-CZ 3.52Å; F334-Y491 WeakPolarHBondContact CE1-OH 3.35Å; F334-Y491 WeakPolarHBondContact CZ-OH 3.43Å; V472-Y491 HydrophobicContact CG1-CD1 4.24Å; T473-Y491 CarbonylContact O-C 3.58Å; T473-Y491 WeakPolarHBondContact O-CA 3.48Å; K474-Y491 HydrophobicContact CB-CD1 3.84Å; K474-Y491 HydrophobicContact CB-CE1 3.85Å; K474-Y491 HydrophobicContact CD-CD1 4.45Å; K474-Y491 HydrophobicContact CD-CE1 3.62Å; K474-Y491 HydrophobicContact CG-CD1 3.93Å; K474-Y491 HydrophobicContact CG-CE1 3.53Å; T489-Y491 HydrophobicContact CG2-CD2 4.36Å; T489-Y491 HydrophobicContact CG2-CE1 4.49Å; T489-Y491 HydrophobicContact CG2-CE2 3.56Å
492	H	50.7	Low	55.9	Low	96 Å²	96	75 Å²	75	44%	0.444	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	117.1	176.9	-164	65.2	0	0	0	110.1	V472 T473	V472-H492 CarbonylContact C-O 3.49Å; V472-H492 VanDerWaalsContact CA-O 3.24Å; V472-H492 WeakPolarHBondContact CA-O 3.2Å; T473-H492 PolarHBondContact N-O 2.9Å; T473-H492 PolarHBondContact O-N 2.85Å
493	V	49.4	Very low	56	Low	67 Å²	67	72.8 Å²	72.8	41%	0.406	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	121.3	-178.4	-178.6	0	0	0	0	109	F331 V472	F331-V493 HydrophobicContact CD1-CG2 4.29Å; F331-V493 HydrophobicContact CE1-CG2 3.73Å; F331-V493 HydrophobicContact CZ-CG2 4.34Å; V472-V493 HydrophobicContact CG1-CG2 4.31Å; V472-V493 HydrophobicContact CG2-CB 4.4Å; V472-V493 HydrophobicContact CG2-CG1 4.31Å; V472-V493 HydrophobicContact CG2-CG2 3.99Å
494	M	41.4	Very low	56.2	Low	12 Å²	12	75.4 Å²	75.4	6%	0.059	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	125.6	-174.8	-54.1	168.9	47	0	0	112.4	R470 T471 D498 L502	R470-M494 WeakPolarHBondContact CA-O 3.31Å; R470-M494 WeakPolarHBondContact CB-O 3.21Å; R470-M494 WeakPolarHBondContact CG-O 3.42Å; T471-M494 WeakPolarHBondContact O-CB 3.48Å; T471-M494 WeakPolarHBondContact O-CG 3.48Å; T471-M494 PolarHBondContact O-N 2.97Å; T471-M494 PolarHBondContact OG1-SD 2.94Å; M494-D498 HydrophobicContact CB-CB 4.14Å; M494-L502 HydrophobicContact CE-CD1 3.16Å; M494-L502 HydrophobicContact CE-CG 3.83Å; M494-L502 HydrophobicContact SD-CD1 3.91Å
495	S	38.9	Very low	56.5	Low	35 Å²	35	74.8 Å²	74.8	25%	0.245	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-87.2	168.6	165.2	69.3	0	0	0	0	112.3	D497 D498	S495-D497 PolarHBondContact O-N 2.79Å; S495-D498 WeakPolarHBondContact CA-OD2 3.41Å; S495-D498 WeakPolarHBondContact CB-OD2 3.31Å; S495-D498 PolarHBondContact N-OD2 2.74Å; S495-D498 WeakPolarHBondContact O-CA 3.24Å; S495-D498 VanDerWaalsContact O-CB 3.26Å; S495-D498 WeakPolarHBondContact O-CB 3.37Å; S495-D498 PolarHBondContact O-N 3.36Å; S495-D498 PolarHBondContact OG-N 3.21Å; S495-D498 PolarHBondContact OG-OD2 2.87Å
496	D	43.9	Very low	56.6	Low	99 Å²	99	70.6 Å²	70.6	53%	0.529	38%	0.383	S	S	.	.	H	α-helix	trans	-61.6	-32.8	176.6	-81.9	-18.8	0	0	0	112	D498 T499	D496-D498 PolarHBondContact O-N 2.81Å; D496-T499 PolarHBondContact O-N 3.24Å; D496-T499 PolarHBondContact O-OG1 3.09Å
497	D	46	Very low	56.9	Low	136 Å²	136	69.8 Å²	69.8	73%	0.727	38%	0.376	S	S	*	.	H	α-helix	trans	-63.9	-27.6	170.4	-72.7	-29.1	0	0	0	111.4	S495 T499 V500 C501	S495-D497 PolarHBondContact O-N 2.79Å; D497-T499 VanDerWaalsContact C-N 3.32Å; D497-T499 PolarHBondContact O-N 3Å; D497-V500 WeakPolarHBondContact O-CB 3.32Å; D497-V500 PolarHBondContact O-N 2.62Å; D497-C501 PolarHBondContact O-N 2.95Å
498	D	43.2	Very low	57	Low	43 Å²	43	69.5 Å²	69.5	23%	0.23	37%	0.371	C	S	.	.	H	α-helix	trans	-76.6	-12.9	178.9	-60.1	-41.7	0	0	0	113.7	M494 S495 D496 V500 C501 L502	M494-D498 HydrophobicContact CB-CB 4.14Å; S495-D498 WeakPolarHBondContact CA-OD2 3.41Å; S495-D498 WeakPolarHBondContact CB-OD2 3.31Å; S495-D498 PolarHBondContact N-OD2 2.74Å; S495-D498 WeakPolarHBondContact O-CA 3.24Å; S495-D498 VanDerWaalsContact O-CB 3.26Å; S495-D498 WeakPolarHBondContact O-CB 3.37Å; S495-D498 PolarHBondContact O-N 3.36Å; S495-D498 PolarHBondContact OG-N 3.21Å; S495-D498 PolarHBondContact OG-OD2 2.87Å; D496-D498 PolarHBondContact O-N 2.81Å; D498-V500 VanDerWaalsContact C-N 3.31Å; D498-C501 HydrophobicContact CB-CB 4.25Å; D498-C501 CarbonylContact O-C 3.52Å; D498-C501 WeakPolarHBondContact O-CA 3.42Å; D498-C501 WeakPolarHBondContact O-CB 3.36Å; D498-C501 PolarHBondContact O-N 3.3Å; D498-L502 PolarHBondContact O-N 3.45Å
499	T	50	Low	57.4	Low	63 Å²	63	72.7 Å²	72.7	39%	0.387	38%	0.383	S	S	.	.	H	α-helix	trans	-66.4	-37.5	168.1	57.5	0	0	0	0	111.2	D496 D497 C501 L502 F503	D496-T499 PolarHBondContact O-N 3.24Å; D496-T499 PolarHBondContact O-OG1 3.09Å; D497-T499 VanDerWaalsContact C-N 3.32Å; D497-T499 PolarHBondContact O-N 3Å; T499-C501 VanDerWaalsContact C-N 3.3Å; T499-L502 PolarHBondContact O-N 3.4Å; T499-F503 WeakPolarHBondContact O-CD2 3.45Å; T499-F503 PolarHBondContact O-N 2.95Å; T499-F503 VanDerWaalsContact O-N 3.1Å
500	V	52.6	Low	58	Low	96 Å²	96	73.1 Å²	73.1	58%	0.582	38%	0.381	S	S	*	.	H	α-helix	trans	-63.1	-41.5	169.8	-177.4	0	0	0	0	109.6	D497 D498 F503 R504	D497-V500 WeakPolarHBondContact O-CB 3.32Å; D497-V500 PolarHBondContact O-N 2.62Å; D498-V500 VanDerWaalsContact C-N 3.31Å; V500-F503 PolarHBondContact O-N 2.85Å; V500-R504 VanDerWaalsContact O-CB 3.3Å; V500-R504 WeakPolarHBondContact O-CB 3.49Å; V500-R504 PolarHBondContact O-N 3.41Å
501	C	56	Low	59.1	Low	60 Å²	60	73.4 Å²	73.4	41%	0.405	38%	0.38	S	S	.	.	H	α-helix	trans	-60.9	-42	174	-172.5	0	0	0	0	112.9	D497 D498 T499 R504 K505	D497-C501 PolarHBondContact O-N 2.95Å; D498-C501 HydrophobicContact CB-CB 4.25Å; D498-C501 CarbonylContact O-C 3.52Å; D498-C501 WeakPolarHBondContact O-CA 3.42Å; D498-C501 WeakPolarHBondContact O-CB 3.36Å; D498-C501 PolarHBondContact O-N 3.3Å; T499-C501 VanDerWaalsContact C-N 3.3Å; C501-R504 CarbonylContact O-C 3.57Å; C501-R504 WeakPolarHBondContact O-CB 3.17Å; C501-R504 PolarHBondContact O-N 2.88Å; C501-K505 VanDerWaalsContact O-CB 3.26Å; C501-K505 WeakPolarHBondContact O-CB 3.45Å; C501-K505 PolarHBondContact O-N 3.33Å
502	L	53.4	Low	60.2	Low	69 Å²	69	76.6 Å²	76.6	36%	0.361	39%	0.392	S	S	.	.	H	α-helix	trans	-67	-42.6	177.7	-79.8	-167	0	0	0	112.8	M494 D498 T499 R504 K505 A506	M494-L502 HydrophobicContact CE-CD1 3.16Å; M494-L502 HydrophobicContact CE-CG 3.83Å; M494-L502 HydrophobicContact SD-CD1 3.91Å; D498-L502 PolarHBondContact O-N 3.45Å; T499-L502 PolarHBondContact O-N 3.4Å; L502-R504 VanDerWaalsContact C-N 3.27Å; L502-R504 PolarHBondContact O-N 2.96Å; L502-K505 PolarHBondContact O-N 2.95Å; L502-A506 WeakPolarHBondContact O-CB 3.32Å; L502-A506 PolarHBondContact O-N 2.93Å
503	F	63.6	Low	61.8	Low	115 Å²	115	78.4 Å²	78.4	50%	0.504	39%	0.394	S	S	.	.	H	α-helix	trans	-61.1	-43.5	172.2	-74	-64.2	0	0	0	110	T499 V500 K505 A506 E507	T499-F503 WeakPolarHBondContact O-CD2 3.45Å; T499-F503 PolarHBondContact O-N 2.95Å; T499-F503 VanDerWaalsContact O-N 3.1Å; V500-F503 PolarHBondContact O-N 2.85Å; F503-K505 VanDerWaalsContact C-N 3.32Å; F503-K505 PolarHBondContact O-N 3.02Å; F503-A506 PolarHBondContact O-N 3.19Å; F503-E507 WeakPolarHBondContact O-CB 3.49Å; F503-E507 WeakPolarHBondContact O-CG 3.46Å; F503-E507 PolarHBondContact O-N 3.12Å
504	R	66.2	Low	63.4	Low	124 Å²	124	76.6 Å²	76.6	47%	0.468	38%	0.382	S	S	.	.	H	α-helix	trans	-62.4	-38.1	176.3	-171.3	57.2	177.5	170.7	3.9	112.7	V500 C501 L502 E507 L508	V500-R504 VanDerWaalsContact O-CB 3.3Å; V500-R504 WeakPolarHBondContact O-CB 3.49Å; V500-R504 PolarHBondContact O-N 3.41Å; C501-R504 CarbonylContact O-C 3.57Å; C501-R504 WeakPolarHBondContact O-CB 3.17Å; C501-R504 PolarHBondContact O-N 2.88Å; L502-R504 VanDerWaalsContact C-N 3.27Å; L502-R504 PolarHBondContact O-N 2.96Å; R504-E507 WeakPolarHBondContact CA-OE2 3.45Å; R504-E507 WeakPolarHBondContact CD-OE2 2.97Å; R504-E507 IonicContact NH1-OE2 3.32Å; R504-E507 PolarHBondContact NH1-OE2 2.96Å; R504-E507 WeakPolarHBondContact O-CB 3.45Å; R504-E507 PolarHBondContact O-N 3.45Å; R504-L508 HydrophobicContact CG-CD1 4.36Å; R504-L508 WeakPolarHBondContact O-CB 3.19Å; R504-L508 VanDerWaalsContact O-CG 3.25Å; R504-L508 WeakPolarHBondContact O-CG 3Å; R504-L508 PolarHBondContact O-N 2.97Å
505	K	68.2	Low	65.4	Low	81 Å²	81	81.6 Å²	81.6	35%	0.352	41%	0.406	S	S	.	.	H	α-helix	trans	-68.3	-46.2	176.8	-176	172.5	-178.9	170.5	0	111.2	C501 L502 F503 E507 L508 Q509	C501-K505 VanDerWaalsContact O-CB 3.26Å; C501-K505 WeakPolarHBondContact O-CB 3.45Å; C501-K505 PolarHBondContact O-N 3.33Å; L502-K505 PolarHBondContact O-N 2.95Å; F503-K505 VanDerWaalsContact C-N 3.32Å; F503-K505 PolarHBondContact O-N 3.02Å; K505-E507 VanDerWaalsContact C-N 3.28Å; K505-E507 PolarHBondContact O-N 3.18Å; K505-L508 PolarHBondContact O-N 3.38Å; K505-Q509 WeakPolarHBondContact O-CB 3.29Å; K505-Q509 VanDerWaalsContact O-CG 3.3Å; K505-Q509 WeakPolarHBondContact O-CG 3.34Å; K505-Q509 PolarHBondContact O-N 3.27Å
506	A	71.1	Confident	67.6	Low	53 Å²	53	87.3 Å²	87.3	44%	0.438	43%	0.426	S	S	.	.	H	α-helix	trans	-61.9	-37.8	174.7	0	0	0	0	0	111.5	L502 F503 Q509 E510	L502-A506 WeakPolarHBondContact O-CB 3.32Å; L502-A506 PolarHBondContact O-N 2.93Å; F503-A506 PolarHBondContact O-N 3.19Å; A506-Q509 PolarHBondContact O-N 2.83Å; A506-E510 PolarHBondContact O-N 2.8Å
507	E	74.1	Confident	69.6	Low	38 Å²	38	85.2 Å²	85.2	18%	0.178	41%	0.413	C	S	.	.	H	α-helix	trans	-63.4	-48.5	172.9	-70.2	156.2	-169.1	0	0	111.6	F503 R504 K505 Q509 E510 M511 H712 R719	F503-E507 WeakPolarHBondContact O-CB 3.49Å; F503-E507 WeakPolarHBondContact O-CG 3.46Å; F503-E507 PolarHBondContact O-N 3.12Å; R504-E507 WeakPolarHBondContact CA-OE2 3.45Å; R504-E507 WeakPolarHBondContact CD-OE2 2.97Å; R504-E507 IonicContact NH1-OE2 3.32Å; R504-E507 PolarHBondContact NH1-OE2 2.96Å; R504-E507 WeakPolarHBondContact O-CB 3.45Å; R504-E507 PolarHBondContact O-N 3.45Å; K505-E507 VanDerWaalsContact C-N 3.28Å; K505-E507 PolarHBondContact O-N 3.18Å; E507-Q509 VanDerWaalsContact C-N 3.31Å; E507-Q509 PolarHBondContact O-N 3.5Å; E507-E510 PolarHBondContact O-N 3.49Å; E507-M511 VanDerWaalsContact O-CG 3.3Å; E507-M511 WeakPolarHBondContact O-CG 3.47Å; E507-M511 PolarHBondContact O-N 3.22Å; E507-H712 IonicContact OE1-CD2 3.77Å; E507-H712 PolarHBondContact OE1-CD2 2.87Å; E507-H712 IonicContact OE1-NE2 3.03Å; E507-H712 IonicContact OE2-CD2 3.62Å; E507-H712 PolarHBondContact OE2-CD2 2.86Å; E507-H712 VanDerWaalsContact OE2-CD2 3.22Å; E507-H712 IonicContact OE2-NE2 3.65Å; E507-H712 PolarHBondContact OE2-NE2 3.27Å; E507-R719 IonicContact OE1-NH2 2.59Å; E507-R719 PolarHBondContact OE1-NH2 3.27Å
508	L	73.2	Confident	71.5	Confident	78 Å²	78	81.3 Å²	81.3	41%	0.408	39%	0.39	S	S	.	.	H	α-helix	trans	-62.6	-37.6	176.9	-73.8	171.8	0	0	0	111.9	R504 K505 M511 R512	R504-L508 HydrophobicContact CG-CD1 4.36Å; R504-L508 WeakPolarHBondContact O-CB 3.19Å; R504-L508 VanDerWaalsContact O-CG 3.25Å; R504-L508 WeakPolarHBondContact O-CG 3Å; R504-L508 PolarHBondContact O-N 2.97Å; K505-L508 PolarHBondContact O-N 3.38Å; L508-M511 PolarHBondContact O-N 2.86Å; L508-R512 WeakPolarHBondContact O-CB 3.42Å; L508-R512 VanDerWaalsContact O-CG 3.26Å; L508-R512 WeakPolarHBondContact O-CG 3.39Å; L508-R512 PolarHBondContact O-N 2.66Å
509	Q	79	Confident	73.6	Confident	90 Å²	90	82.6 Å²	82.6	42%	0.421	40%	0.4	S	S	.	.	H	α-helix	trans	-64.9	-43.3	174.8	-76.6	176.8	-18.8	0	0	112	K505 A506 E507 R512 R513	K505-Q509 WeakPolarHBondContact O-CB 3.29Å; K505-Q509 VanDerWaalsContact O-CG 3.3Å; K505-Q509 WeakPolarHBondContact O-CG 3.34Å; K505-Q509 PolarHBondContact O-N 3.27Å; A506-Q509 PolarHBondContact O-N 2.83Å; E507-Q509 VanDerWaalsContact C-N 3.31Å; E507-Q509 PolarHBondContact O-N 3.5Å; Q509-R512 PolarHBondContact O-N 3.19Å; Q509-R513 WeakPolarHBondContact O-CB 3.46Å; Q509-R513 PolarHBondContact O-N 2.95Å
510	E	82.3	Confident	75.5	Confident	64 Å²	64	84.7 Å²	84.7	30%	0.299	40%	0.401	S	S	.	.	H	α-helix	trans	-66	-40.2	176.4	-178.4	61	-171.7	0	0	111.7	A506 E507 R513 L514	A506-E510 PolarHBondContact O-N 2.8Å; E507-E510 PolarHBondContact O-N 3.49Å; E510-R513 WeakPolarHBondContact O-CB 3.32Å; E510-R513 PolarHBondContact O-N 3.02Å; E510-R513 IonicContact OE1-CZ 3.45Å; E510-R513 IonicContact OE1-NE 3.84Å; E510-R513 IonicContact OE1-NH2 3.15Å; E510-R513 PolarHBondContact OE1-NH2 3.37Å; E510-R513 IonicContact OE2-CZ 3.27Å; E510-R513 IonicContact OE2-NE 3.63Å; E510-R513 PolarHBondContact OE2-NE 3.41Å; E510-R513 IonicContact OE2-NH2 3.81Å; E510-L514 WeakPolarHBondContact O-CG 3.46Å; E510-L514 PolarHBondContact O-N 3.37Å
511	M	79.8	Confident	77.4	Confident	57 Å²	57	82.8 Å²	82.8	28%	0.281	39%	0.385	S	S	.	.	H	α-helix	trans	-63.8	-41.2	174.2	-68	-63.5	-66.8	0	0	111.9	E507 L508 L514 Q515 R705 K708	E507-M511 VanDerWaalsContact O-CG 3.3Å; E507-M511 WeakPolarHBondContact O-CG 3.47Å; E507-M511 PolarHBondContact O-N 3.22Å; L508-M511 PolarHBondContact O-N 2.86Å; M511-L514 PolarHBondContact O-N 3.28Å; M511-Q515 WeakPolarHBondContact O-CB 3.37Å; M511-Q515 PolarHBondContact O-N 2.73Å; M511-R705 HydrophobicContact CE-CG 3.74Å; M511-K708 HydrophobicContact SD-CB 4.42Å
512	R	81	Confident	79.1	Confident	132 Å²	132	82.9 Å²	82.9	50%	0.498	38%	0.379	S	S	.	.	H	α-helix	trans	-64.6	-38.3	173.6	-77.1	177	-179.7	-176.9	0.9	112	L508 Q509 L514 Q515 K516	L508-R512 WeakPolarHBondContact O-CB 3.42Å; L508-R512 VanDerWaalsContact O-CG 3.26Å; L508-R512 WeakPolarHBondContact O-CG 3.39Å; L508-R512 PolarHBondContact O-N 2.66Å; Q509-R512 PolarHBondContact O-N 3.19Å; R512-L514 VanDerWaalsContact C-N 3.34Å; R512-Q515 PolarHBondContact O-N 3.34Å; R512-K516 WeakPolarHBondContact O-CB 3.37Å; R512-K516 WeakPolarHBondContact O-CG 3.27Å; R512-K516 PolarHBondContact O-N 2.92Å
513	R	83.5	Confident	80.8	Confident	134 Å²	134	84.5 Å²	84.5	51%	0.506	39%	0.385	S	S	.	.	H	α-helix	trans	-62.3	-43.6	175.4	-169.2	-171.4	71.3	77.4	2.5	110.9	Q509 E510 K516 E517	Q509-R513 WeakPolarHBondContact O-CB 3.46Å; Q509-R513 PolarHBondContact O-N 2.95Å; E510-R513 WeakPolarHBondContact O-CB 3.32Å; E510-R513 PolarHBondContact O-N 3.02Å; E510-R513 IonicContact OE1-CZ 3.45Å; E510-R513 IonicContact OE1-NE 3.84Å; E510-R513 IonicContact OE1-NH2 3.15Å; E510-R513 PolarHBondContact OE1-NH2 3.37Å; E510-R513 IonicContact OE2-CZ 3.27Å; E510-R513 IonicContact OE2-NE 3.63Å; E510-R513 PolarHBondContact OE2-NE 3.41Å; E510-R513 IonicContact OE2-NH2 3.81Å; R513-K516 PolarHBondContact O-N 3.33Å; R513-E517 WeakPolarHBondContact O-CB 3.31Å; R513-E517 PolarHBondContact O-N 2.98Å
514	L	84.8	Confident	82.2	Confident	29 Å²	29	83.8 Å²	83.8	15%	0.152	38%	0.383	C	S	.	.	H	α-helix	trans	-63.6	-41.7	174.5	-72.8	174.7	0	0	0	112.2	E510 M511 R512 E517 E518 V704 K708	E510-L514 WeakPolarHBondContact O-CG 3.46Å; E510-L514 PolarHBondContact O-N 3.37Å; M511-L514 PolarHBondContact O-N 3.28Å; R512-L514 VanDerWaalsContact C-N 3.34Å; L514-E517 PolarHBondContact O-N 3.49Å; L514-E518 WeakPolarHBondContact O-CB 3.37Å; L514-E518 PolarHBondContact O-N 2.92Å; L514-V704 HydrophobicContact CD1-CG1 4.29Å; L514-V704 HydrophobicContact CD2-CG1 3.87Å; L514-K708 HydrophobicContact CD1-CB 4.35Å; L514-K708 HydrophobicContact CD1-CG 3.65Å
515	Q	83.3	Confident	83.5	Confident	118 Å²	118	79 Å²	79	55%	0.551	37%	0.366	S	S	*	.	H	α-helix	trans	-64.6	-42.1	176.4	-171.7	178.7	4.7	0	0	112.1	M511 R512 E517 E518 V519	M511-Q515 WeakPolarHBondContact O-CB 3.37Å; M511-Q515 PolarHBondContact O-N 2.73Å; R512-Q515 PolarHBondContact O-N 3.34Å; Q515-E517 VanDerWaalsContact C-N 3.32Å; Q515-E517 PolarHBondContact O-N 3.15Å; Q515-E518 WeakPolarHBondContact O-CB 3.43Å; Q515-E518 PolarHBondContact O-N 2.95Å; Q515-V519 WeakPolarHBondContact O-CG2 3.36Å; Q515-V519 PolarHBondContact O-N 2.82Å
516	K	84.4	Confident	84.7	Confident	154 Å²	154	78.2 Å²	78.2	67%	0.67	37%	0.372	S	S	*	.	H	α-helix	trans	-61.3	-41.3	174.2	-76.5	-173.2	177.2	-170.3	0	111.6	R512 R513 R520	R512-K516 WeakPolarHBondContact O-CB 3.37Å; R512-K516 WeakPolarHBondContact O-CG 3.27Å; R512-K516 PolarHBondContact O-N 2.92Å; R513-K516 PolarHBondContact O-N 3.33Å; K516-R520 WeakPolarHBondContact O-CB 3.22Å; K516-R520 PolarHBondContact O-N 3.46Å
517	E	86.8	Confident	85.8	Confident	55 Å²	55	81.1 Å²	81.1	26%	0.257	38%	0.379	S	S	.	.	H	α-helix	trans	-67.6	-37.9	176.3	-177.9	60	-163.6	0	0	112.3	R513 L514 Q515 R520 Q521	R513-E517 WeakPolarHBondContact O-CB 3.31Å; R513-E517 PolarHBondContact O-N 2.98Å; L514-E517 PolarHBondContact O-N 3.49Å; Q515-E517 VanDerWaalsContact C-N 3.32Å; Q515-E517 PolarHBondContact O-N 3.15Å; E517-R520 PolarHBondContact O-N 3.22Å; E517-R520 IonicContact OE1-CZ 3.25Å; E517-R520 IonicContact OE1-NE 2.7Å; E517-R520 IonicContact OE1-NH2 3.99Å; E517-R520 PolarHBondContact OE1-NH2 2.71Å; E517-R520 IonicContact OE2-CZ 2.78Å; E517-R520 IonicContact OE2-NE 3.9Å; E517-R520 PolarHBondContact OE2-NE 3.38Å; E517-R520 IonicContact OE2-NH2 2.98Å; E517-R520 PolarHBondContact OE2-NH2 3.09Å; E517-Q521 VanDerWaalsContact O-CG 3.32Å; E517-Q521 WeakPolarHBondContact O-CG 3.16Å; E517-Q521 PolarHBondContact O-N 3.4Å; E517-Q521 PolarHBondContact OE1-NE2 2.86Å
518	E	86	Confident	86.8	Confident	54 Å²	54	85.9 Å²	85.9	25%	0.252	40%	0.395	S	S	.	.	H	α-helix	trans	-60.2	-51.3	172.7	173.7	174.1	-167.2	0	0	111.5	L514 Q515 R520 Q521 F522 H701	L514-E518 WeakPolarHBondContact O-CB 3.37Å; L514-E518 PolarHBondContact O-N 2.92Å; Q515-E518 WeakPolarHBondContact O-CB 3.43Å; Q515-E518 PolarHBondContact O-N 2.95Å; E518-R520 VanDerWaalsContact C-N 3.29Å; E518-R520 PolarHBondContact O-N 3.12Å; E518-Q521 PolarHBondContact O-N 3.45Å; E518-Q521 VanDerWaalsContact O-N 3.16Å; E518-F522 HydrophobicContact CG-CD2 3.73Å; E518-F522 HydrophobicContact CG-CE2 3.62Å; E518-F522 VanDerWaalsContact O-CD2 3.28Å; E518-F522 WeakPolarHBondContact O-CD2 3Å; E518-F522 PolarHBondContact O-N 3.48Å; E518-H701 VanDerWaalsContact CA-CE1 3.46Å; E518-H701 WeakPolarHBondContact CA-CE1 3.31Å; E518-H701 HydrophobicContact CG-CB 4.32Å
519	V	86.5	Confident	87.8	Confident	70 Å²	70	82.5 Å²	82.5	42%	0.424	38%	0.379	S	S	.	.	H	α-helix	trans	-57.4	-44.1	176.2	172	0	0	0	0	111.1	Q515 Q521 F522 Q523	Q515-V519 WeakPolarHBondContact O-CG2 3.36Å; Q515-V519 PolarHBondContact O-N 2.82Å; V519-Q521 PolarHBondContact O-N 3.24Å; V519-F522 PolarHBondContact O-N 3.01Å; V519-Q523 HydrophobicContact CG1-CG 4.45Å; V519-Q523 WeakPolarHBondContact O-CB 3.48Å; V519-Q523 VanDerWaalsContact O-CG 3.29Å; V519-Q523 WeakPolarHBondContact O-CG 3.44Å; V519-Q523 PolarHBondContact O-N 2.88Å
520	R	90.1	Very high	88.6	Confident	107 Å²	107	82.8 Å²	82.8	40%	0.404	38%	0.38	S	S	.	.	H	α-helix	trans	-59.9	-46.1	176.9	-172.6	-176.6	75.5	87.3	2.4	111.9	K516 E517 E518 Q523 E524	K516-R520 WeakPolarHBondContact O-CB 3.22Å; K516-R520 PolarHBondContact O-N 3.46Å; E517-R520 PolarHBondContact O-N 3.22Å; E517-R520 IonicContact OE1-CZ 3.25Å; E517-R520 IonicContact OE1-NE 2.7Å; E517-R520 IonicContact OE1-NH2 3.99Å; E517-R520 PolarHBondContact OE1-NH2 2.71Å; E517-R520 IonicContact OE2-CZ 2.78Å; E517-R520 IonicContact OE2-NE 3.9Å; E517-R520 PolarHBondContact OE2-NE 3.38Å; E517-R520 IonicContact OE2-NH2 2.98Å; E517-R520 PolarHBondContact OE2-NH2 3.09Å; E518-R520 VanDerWaalsContact C-N 3.29Å; E518-R520 PolarHBondContact O-N 3.12Å; R520-Q523 PolarHBondContact O-N 3.41Å; R520-E524 IonicContact CZ-OE1 3.55Å; R520-E524 IonicContact NH1-OE1 2.83Å; R520-E524 PolarHBondContact NH1-OE1 3.41Å; R520-E524 IonicContact NH1-OE2 3.17Å; R520-E524 PolarHBondContact NH1-OE2 3.14Å; R520-E524 WeakPolarHBondContact O-CG 3.44Å; R520-E524 PolarHBondContact O-N 2.9Å
521	Q	91.3	Very high	89.2	Confident	56 Å²	56	85.5 Å²	85.5	26%	0.262	39%	0.394	S	S	.	.	H	α-helix	trans	-67	-38.9	-179.4	-71.3	180	12.2	0	0	112.1	E517 E518 V519 E524 L525 L697 H701	E517-Q521 VanDerWaalsContact O-CG 3.32Å; E517-Q521 WeakPolarHBondContact O-CG 3.16Å; E517-Q521 PolarHBondContact O-N 3.4Å; E517-Q521 PolarHBondContact OE1-NE2 2.86Å; E518-Q521 PolarHBondContact O-N 3.45Å; E518-Q521 VanDerWaalsContact O-N 3.16Å; V519-Q521 PolarHBondContact O-N 3.24Å; Q521-E524 PolarHBondContact O-N 3.43Å; Q521-L525 WeakPolarHBondContact O-CB 3.09Å; Q521-L525 PolarHBondContact O-N 2.92Å; Q521-L697 HydrophobicContact CB-CD1 4.07Å; Q521-L697 HydrophobicContact CB-CD2 3.98Å; Q521-H701 PolarHBondContact OE1-CE1 3.26Å; Q521-H701 PolarHBondContact OE1-NE2 2.66Å; Q521-H701 VanDerWaalsContact OE1-NE2 3.12Å
522	F	91.6	Very high	90	Very high	63 Å²	63	85 Å²	85	28%	0.276	39%	0.391	S	S	.	.	H	α-helix	trans	-64.6	-40	173.1	-84.3	-69	0	0	0	112.4	E518 V519 L525 S526 L697 Q698	E518-F522 HydrophobicContact CG-CD2 3.73Å; E518-F522 HydrophobicContact CG-CE2 3.62Å; E518-F522 VanDerWaalsContact O-CD2 3.28Å; E518-F522 WeakPolarHBondContact O-CD2 3Å; E518-F522 PolarHBondContact O-N 3.48Å; V519-F522 PolarHBondContact O-N 3.01Å; F522-L525 PolarHBondContact O-N 3.29Å; F522-S526 WeakPolarHBondContact O-CB 3.22Å; F522-S526 PolarHBondContact O-N 3.32Å; F522-L697 HydrophobicContact CD1-CD2 3.85Å; F522-L697 HydrophobicContact CD2-CD2 4.35Å; F522-L697 HydrophobicContact CE1-CB 4.5Å; F522-L697 HydrophobicContact CE1-CD2 4.03Å; F522-L697 HydrophobicContact CE1-CG 4.36Å; F522-L697 HydrophobicContact CG-CD2 4.02Å; F522-L697 HydrophobicContact CZ-CD2 4.35Å; F522-L697 HydrophobicContact CZ-CG 4.31Å; F522-Q698 HydrophobicContact CZ-CB 4.19Å
523	Q	90.4	Very high	90.6	Very high	102 Å²	102	83.4 Å²	83.4	48%	0.477	39%	0.385	S	S	.	.	H	α-helix	trans	-63.3	-45.9	175	-75.1	174.5	-8.4	0	0	111.8	V519 R520 L525 S526 L527	V519-Q523 HydrophobicContact CG1-CG 4.45Å; V519-Q523 WeakPolarHBondContact O-CB 3.48Å; V519-Q523 VanDerWaalsContact O-CG 3.29Å; V519-Q523 WeakPolarHBondContact O-CG 3.44Å; V519-Q523 PolarHBondContact O-N 2.88Å; R520-Q523 PolarHBondContact O-N 3.41Å; Q523-L525 VanDerWaalsContact C-N 3.32Å; Q523-L525 PolarHBondContact O-N 2.89Å; Q523-S526 PolarHBondContact O-N 3.07Å; Q523-L527 WeakPolarHBondContact O-CG 3.36Å; Q523-L527 PolarHBondContact O-N 2.91Å
524	E	93.7	Very high	91.2	Very high	100 Å²	100	80.2 Å²	80.2	47%	0.467	38%	0.378	S	S	.	.	H	α-helix	trans	-61.5	-40.9	176.4	-75.2	175.6	-173.7	0	0	112	R520 Q521 R528	R520-E524 IonicContact CZ-OE1 3.55Å; R520-E524 IonicContact NH1-OE1 2.83Å; R520-E524 PolarHBondContact NH1-OE1 3.41Å; R520-E524 IonicContact NH1-OE2 3.17Å; R520-E524 PolarHBondContact NH1-OE2 3.14Å; R520-E524 WeakPolarHBondContact O-CG 3.44Å; R520-E524 PolarHBondContact O-N 2.9Å; Q521-E524 PolarHBondContact O-N 3.43Å; E524-R528 WeakPolarHBondContact O-CB 3.42Å; E524-R528 PolarHBondContact O-N 2.75Å
525	L	93.4	Very high	91.7	Very high	23 Å²	23	85.1 Å²	85.1	12%	0.12	40%	0.4	C	S	.	.	H	α-helix	trans	-65.5	-43.2	176.4	-173.5	58.6	0	0	0	111.6	Q521 F522 Q523 R528 A529 E693 D694 L697	Q521-L525 WeakPolarHBondContact O-CB 3.09Å; Q521-L525 PolarHBondContact O-N 2.92Å; F522-L525 PolarHBondContact O-N 3.29Å; Q523-L525 VanDerWaalsContact C-N 3.32Å; Q523-L525 PolarHBondContact O-N 2.89Å; L525-R528 PolarHBondContact O-N 2.88Å; L525-A529 WeakPolarHBondContact O-CB 3.39Å; L525-A529 PolarHBondContact O-N 3.12Å; L525-E693 HydrophobicContact CD1-CB 3.96Å; L525-E693 WeakPolarHBondContact CD1-OE2 3.07Å; L525-E693 HydrophobicContact CD2-CB 4.09Å; L525-D694 WeakPolarHBondContact CD2-OD1 3.24Å; L525-L697 HydrophobicContact CB-CD2 4.37Å; L525-L697 HydrophobicContact CD2-CB 4.31Å; L525-L697 HydrophobicContact CD2-CD2 3.8Å
526	S	92.3	Very high	92.3	Very high	66 Å²	66	80.8 Å²	80.8	46%	0.462	38%	0.38	S	S	.	.	H	α-helix	trans	-60.9	-46.1	176.4	-177	0	0	0	0	112.3	F522 Q523 R528 A529 E530	F522-S526 WeakPolarHBondContact O-CB 3.22Å; F522-S526 PolarHBondContact O-N 3.32Å; Q523-S526 PolarHBondContact O-N 3.07Å; S526-R528 VanDerWaalsContact C-N 3.33Å; S526-R528 PolarHBondContact O-N 3.41Å; S526-A529 WeakPolarHBondContact O-CB 3.32Å; S526-A529 PolarHBondContact O-N 2.91Å; S526-E530 PolarHBondContact O-N 2.85Å
527	L	94.3	Very high	92.8	Very high	113 Å²	113	76.9 Å²	76.9	59%	0.592	37%	0.372	S	S	*	.	H	α-helix	trans	-62.8	-40.6	176.8	-72.1	171.9	0	0	0	111.8	Q523 E530 M531	Q523-L527 WeakPolarHBondContact O-CG 3.36Å; Q523-L527 PolarHBondContact O-N 2.91Å; L527-E530 PolarHBondContact O-N 3.24Å; L527-M531 WeakPolarHBondContact O-CB 3.47Å; L527-M531 PolarHBondContact O-N 3.41Å
528	R	95.3	Very high	93.3	Very high	138 Å²	138	81.3 Å²	81.3	52%	0.521	39%	0.387	S	S	.	.	H	α-helix	trans	-64.1	-42.4	175	-175.8	-179.6	-179	-179.2	-2.1	111.6	E524 L525 S526 E530 M531 Q532	E524-R528 WeakPolarHBondContact O-CB 3.42Å; E524-R528 PolarHBondContact O-N 2.75Å; L525-R528 PolarHBondContact O-N 2.88Å; S526-R528 VanDerWaalsContact C-N 3.33Å; S526-R528 PolarHBondContact O-N 3.41Å; R528-E530 VanDerWaalsContact C-N 3.35Å; R528-M531 PolarHBondContact O-N 2.75Å; R528-Q532 WeakPolarHBondContact O-CG 3.48Å; R528-Q532 PolarHBondContact O-N 2.83Å
529	A	94.6	Very high	93.8	Very high	8 Å²	8	83.1 Å²	83.1	7%	0.066	39%	0.394	C	S	.	.	H	α-helix	trans	-63.1	-41.5	178.1	0	0	0	0	0	111.5	L525 S526 Q532 R533 Q690	L525-A529 WeakPolarHBondContact O-CB 3.39Å; L525-A529 PolarHBondContact O-N 3.12Å; S526-A529 WeakPolarHBondContact O-CB 3.32Å; S526-A529 PolarHBondContact O-N 2.91Å; A529-Q532 PolarHBondContact O-N 2.87Å; A529-R533 WeakPolarHBondContact O-CG 3.4Å; A529-R533 PolarHBondContact O-N 2.81Å; A529-Q690 VanDerWaalsContact CA-NE2 3.32Å; A529-Q690 HydrophobicContact CB-CG 3.93Å; A529-Q690 PolarHBondContact O-NE2 2.84Å
530	E	94.8	Very high	94.2	Very high	96 Å²	96	82 Å²	82	45%	0.449	38%	0.383	S	S	.	.	H	α-helix	trans	-62.1	-50.8	174.1	-173.9	173.6	-160.6	0	0	111.9	S526 L527 R528 Q532 R533 D534	S526-E530 PolarHBondContact O-N 2.85Å; L527-E530 PolarHBondContact O-N 3.24Å; R528-E530 VanDerWaalsContact C-N 3.35Å; E530-Q532 PolarHBondContact O-N 2.83Å; E530-R533 PolarHBondContact O-N 3.46Å; E530-D534 WeakPolarHBondContact O-CB 3.04Å; E530-D534 PolarHBondContact O-N 3.29Å
531	M	95.5	Very high	94.5	Very high	121 Å²	121	81.1 Å²	81.1	60%	0.596	38%	0.383	S	S	*	.	H	α-helix	trans	-55.3	-39.1	177	-175	-175.3	69.4	0	0	112.3	L527 R528 D534 Q535	L527-M531 WeakPolarHBondContact O-CB 3.47Å; L527-M531 PolarHBondContact O-N 3.41Å; R528-M531 PolarHBondContact O-N 2.75Å; M531-D534 WeakPolarHBondContact O-CB 3.24Å; M531-Q535 WeakPolarHBondContact O-CB 3.37Å; M531-Q535 PolarHBondContact O-N 3.34Å
532	Q	96.3	Very high	94.8	Very high	45 Å²	45	84.2 Å²	84.2	21%	0.21	40%	0.398	C	S	.	.	H	α-helix	trans	-68.2	-41.8	176.3	-73.8	174.4	-22.4	0	0	112.9	R528 A529 E530 D534 Q535 Q536 L686	R528-Q532 WeakPolarHBondContact O-CG 3.48Å; R528-Q532 PolarHBondContact O-N 2.83Å; A529-Q532 PolarHBondContact O-N 2.87Å; E530-Q532 PolarHBondContact O-N 2.83Å; Q532-D534 VanDerWaalsContact C-N 3.31Å; Q532-Q535 PolarHBondContact O-N 3.02Å; Q532-Q536 WeakPolarHBondContact O-CB 3.43Å; Q532-Q536 PolarHBondContact O-N 3.39Å; Q532-L686 HydrophobicContact CB-CD1 4.04Å; Q532-L686 HydrophobicContact CB-CD2 4.25Å
533	R	94.7	Very high	95.1	Very high	99 Å²	99	84.5 Å²	84.5	37%	0.374	40%	0.402	S	S	.	.	H	α-helix	trans	-61.8	-43.5	176	-72.2	-173.7	-60.3	-97	5	110.9	A529 E530 Q536 S537 L686	A529-R533 WeakPolarHBondContact O-CG 3.4Å; A529-R533 PolarHBondContact O-N 2.81Å; E530-R533 PolarHBondContact O-N 3.46Å; R533-Q536 PolarHBondContact O-N 3.48Å; R533-S537 WeakPolarHBondContact O-CB 3.23Å; R533-S537 PolarHBondContact O-N 3.16Å; R533-L686 HydrophobicContact CG-CD2 4.21Å
534	D	95.2	Very high	95.5	Very high	68 Å²	68	81.5 Å²	81.5	36%	0.364	39%	0.39	S	S	.	.	H	α-helix	trans	-60.4	-45.3	175.5	-105.7	30.5	0	0	0	112.6	E530 M531 Q532 S537 R538	E530-D534 WeakPolarHBondContact O-CB 3.04Å; E530-D534 PolarHBondContact O-N 3.29Å; M531-D534 WeakPolarHBondContact O-CB 3.24Å; Q532-D534 VanDerWaalsContact C-N 3.31Å; D534-S537 PolarHBondContact O-N 3.04Å; D534-R538 WeakPolarHBondContact O-CG 3.32Å; D534-R538 PolarHBondContact O-N 3.31Å; D534-R538 IonicContact OD2-CZ 2.63Å; D534-R538 IonicContact OD2-NH1 3.67Å; D534-R538 IonicContact OD2-NH2 3.51Å; D534-R538 PolarHBondContact OD2-NH2 2.93Å
535	Q	95.9	Very high	95.6	Very high	131 Å²	131	81.1 Å²	81.1	61%	0.612	39%	0.388	S	S	*	.	H	α-helix	trans	-62.8	-43	176.2	-173.8	178.5	15.8	0	0	111.6	M531 Q532 R538 K539	M531-Q535 WeakPolarHBondContact O-CB 3.37Å; M531-Q535 PolarHBondContact O-N 3.34Å; Q532-Q535 PolarHBondContact O-N 3.02Å; Q535-R538 PolarHBondContact O-N 2.85Å; Q535-K539 WeakPolarHBondContact O-CB 3.49Å; Q535-K539 PolarHBondContact O-N 3.03Å
536	Q	95.9	Very high	95.8	Very high	28 Å²	28	82.6 Å²	82.6	13%	0.131	40%	0.398	C	S	.	.	H	α-helix	trans	-64	-41.3	176.3	179.8	177.2	62.2	0	0	112.1	Q532 R533 K539 F540 E682 L686	Q532-Q536 WeakPolarHBondContact O-CB 3.43Å; Q532-Q536 PolarHBondContact O-N 3.39Å; R533-Q536 PolarHBondContact O-N 3.48Å; Q536-K539 PolarHBondContact O-N 2.95Å; Q536-F540 PolarHBondContact O-N 3.39Å; Q536-E682 PolarHBondContact NE2-O 2.69Å; Q536-L686 HydrophobicContact CB-CD2 4.19Å
537	S	94.7	Very high	96.1	Very high	72 Å²	72	80.8 Å²	80.8	50%	0.503	38%	0.383	S	S	.	.	H	α-helix	trans	-62.7	-46.5	176.5	-173.5	0	0	0	0	111.6	R533 D534 K539 F540 E541	R533-S537 WeakPolarHBondContact O-CB 3.23Å; R533-S537 PolarHBondContact O-N 3.16Å; D534-S537 PolarHBondContact O-N 3.04Å; S537-K539 PolarHBondContact O-N 3.43Å; S537-F540 PolarHBondContact O-N 2.67Å; S537-E541 PolarHBondContact O-N 3.24Å
538	R	96.8	Very high	96.3	Very high	148 Å²	148	77.8 Å²	77.8	56%	0.558	37%	0.367	S	S	*	.	H	α-helix	trans	-61.6	-41.1	176.3	-75.4	-173.2	-105.4	-86.4	1.5	112.6	D534 Q535 Q542	D534-R538 WeakPolarHBondContact O-CG 3.32Å; D534-R538 PolarHBondContact O-N 3.31Å; D534-R538 IonicContact OD2-CZ 2.63Å; D534-R538 IonicContact OD2-NH1 3.67Å; D534-R538 IonicContact OD2-NH2 3.51Å; D534-R538 PolarHBondContact OD2-NH2 2.93Å; Q535-R538 PolarHBondContact O-N 2.85Å; R538-Q542 VanDerWaalsContact O-CG 3.3Å; R538-Q542 WeakPolarHBondContact O-CG 3.1Å; R538-Q542 PolarHBondContact O-N 3.43Å; R538-Q542 VanDerWaalsContact O-N 3.11Å
539	K	95.7	Very high	96.4	Very high	92 Å²	92	78.5 Å²	78.5	40%	0.4	37%	0.37	S	S	.	.	H	α-helix	trans	-61.4	-47.7	175.9	-178.1	-169.3	166	-154.8	0	111	Q535 Q536 S537 E541 Q542 D543 E682	Q535-K539 WeakPolarHBondContact O-CB 3.49Å; Q535-K539 PolarHBondContact O-N 3.03Å; Q536-K539 PolarHBondContact O-N 2.95Å; S537-K539 PolarHBondContact O-N 3.43Å; K539-E541 PolarHBondContact O-N 3.43Å; K539-Q542 PolarHBondContact O-N 2.6Å; K539-D543 PolarHBondContact O-N 3.34Å; K539-E682 IonicContact NZ-OE1 3.99Å; K539-E682 IonicContact NZ-OE2 3.88Å; K539-E682 PolarHBondContact NZ-OE2 3.28Å; K539-E682 VanDerWaalsContact NZ-OE2 3.15Å
540	F	96.6	Very high	96.5	Very high	46 Å²	46	83.1 Å²	83.1	20%	0.202	39%	0.39	C	S	.	.	H	α-helix	trans	-60.5	-43.9	178.7	172.9	-108.9	0	0	0	112.8	Q536 S537 Q542 D543 L544 L675 Q679	Q536-F540 PolarHBondContact O-N 3.39Å; S537-F540 PolarHBondContact O-N 2.67Å; F540-Q542 VanDerWaalsContact C-N 3.32Å; F540-Q542 PolarHBondContact O-N 2.83Å; F540-D543 PolarHBondContact O-N 3.25Å; F540-L544 VanDerWaalsContact O-CB 3.29Å; F540-L544 WeakPolarHBondContact O-CB 3.49Å; F540-L544 PolarHBondContact O-N 2.84Å; F540-L675 HydrophobicContact CD2-CG 4.35Å; F540-L675 HydrophobicContact CE2-CD2 4.35Å; F540-L675 HydrophobicContact CE2-CG 4.01Å; F540-Q679 HydrophobicContact CB-CG 4.22Å; F540-Q679 HydrophobicContact CD1-CG 4.3Å; F540-Q679 HydrophobicContact CD2-CB 3.55Å; F540-Q679 HydrophobicContact CD2-CG 3.48Å; F540-Q679 VanDerWaalsContact CD2-CG 3.48Å; F540-Q679 HydrophobicContact CE2-CB 3.68Å; F540-Q679 HydrophobicContact CE2-CG 3.82Å; F540-Q679 HydrophobicContact CG-CB 4.31Å; F540-Q679 HydrophobicContact CG-CG 3.73Å; F540-Q679 HydrophobicContact CZ-CG 4.37Å
541	E	96.4	Very high	96.6	Very high	88 Å²	88	80.6 Å²	80.6	41%	0.411	38%	0.377	S	S	.	.	H	α-helix	trans	-61.8	-40.9	177.1	-175.3	60	-147	0	0	111.7	S537 K539 L544 Q545	S537-E541 PolarHBondContact O-N 3.24Å; K539-E541 PolarHBondContact O-N 3.43Å; E541-L544 PolarHBondContact O-N 3.14Å; E541-Q545 WeakPolarHBondContact O-CB 3.39Å; E541-Q545 VanDerWaalsContact O-CG 3.27Å; E541-Q545 WeakPolarHBondContact O-CG 3.16Å; E541-Q545 PolarHBondContact O-N 3.45Å; E541-Q545 PolarHBondContact OE1-NE2 3.41Å
542	Q	97.5	Very high	96.6	Very high	122 Å²	122	80.9 Å²	80.9	57%	0.57	38%	0.376	S	S	*	.	H	α-helix	trans	-65.4	-43.5	175.9	-72.5	174.5	3.9	0	0	112.4	R538 K539 F540 Q545 T546	R538-Q542 VanDerWaalsContact O-CG 3.3Å; R538-Q542 WeakPolarHBondContact O-CG 3.1Å; R538-Q542 PolarHBondContact O-N 3.43Å; R538-Q542 VanDerWaalsContact O-N 3.11Å; K539-Q542 PolarHBondContact O-N 2.6Å; F540-Q542 VanDerWaalsContact C-N 3.32Å; F540-Q542 PolarHBondContact O-N 2.83Å; Q542-Q545 PolarHBondContact O-N 3.4Å; Q542-T546 WeakPolarHBondContact O-CB 3.43Å; Q542-T546 PolarHBondContact O-N 3.22Å; Q542-T546 PolarHBondContact O-OG1 2.97Å
543	D	97.4	Very high	96.6	Very high	68 Å²	68	82.1 Å²	82.1	36%	0.364	39%	0.39	S	S	.	.	H	α-helix	trans	-63.8	-42.7	177.4	-70.4	-15.5	0	0	0	110.5	K539 F540 T546 L547 L675	K539-D543 PolarHBondContact O-N 3.34Å; F540-D543 PolarHBondContact O-N 3.25Å; D543-T546 PolarHBondContact O-N 3.33Å; D543-L547 WeakPolarHBondContact O-CB 3.37Å; D543-L547 PolarHBondContact O-N 2.61Å; D543-L675 HydrophobicContact CB-CD1 4.04Å; D543-L675 HydrophobicContact CB-CD2 4.37Å
544	L	97.7	Very high	96.7	Very high	40 Å²	40	82 Å²	82	21%	0.209	39%	0.394	C	S	.	.	H	α-helix	trans	-61.2	-50.4	176.2	178.2	63.7	0	0	0	111.5	F540 E541 T546 L547 L548 L672 L675	F540-L544 VanDerWaalsContact O-CB 3.29Å; F540-L544 WeakPolarHBondContact O-CB 3.49Å; F540-L544 PolarHBondContact O-N 2.84Å; E541-L544 PolarHBondContact O-N 3.14Å; L544-T546 VanDerWaalsContact C-N 3.29Å; L544-T546 PolarHBondContact O-N 2.8Å; L544-L547 PolarHBondContact O-N 3.13Å; L544-L548 HydrophobicContact CD1-CD1 4.18Å; L544-L548 HydrophobicContact CD1-CG 4.29Å; L544-L548 HydrophobicContact CG-CD1 4.08Å; L544-L548 WeakPolarHBondContact O-CB 3.3Å; L544-L548 VanDerWaalsContact O-CG 3.22Å; L544-L548 WeakPolarHBondContact O-CG 3.44Å; L544-L548 PolarHBondContact O-N 2.89Å; L544-L672 HydrophobicContact CD1-CD2 3.43Å; L544-L672 VanDerWaalsContact CD1-CD2 3.43Å; L544-L675 HydrophobicContact CB-CD2 4.19Å; L544-L675 HydrophobicContact CD1-CD2 4.34Å
545	Q	97.4	Very high	96.7	Very high	92 Å²	92	79.6 Å²	79.6	43%	0.43	38%	0.382	S	S	.	.	H	α-helix	trans	-64.4	-33.7	178.9	-72.9	178.4	11	0	0	112.7	E541 Q542 R549	E541-Q545 WeakPolarHBondContact O-CB 3.39Å; E541-Q545 VanDerWaalsContact O-CG 3.27Å; E541-Q545 WeakPolarHBondContact O-CG 3.16Å; E541-Q545 PolarHBondContact O-N 3.45Å; E541-Q545 PolarHBondContact OE1-NE2 3.41Å; Q542-Q545 PolarHBondContact O-N 3.4Å; Q545-R549 WeakPolarHBondContact O-CB 3.37Å; Q545-R549 VanDerWaalsContact O-CG 3.28Å; Q545-R549 WeakPolarHBondContact O-CG 3.39Å; Q545-R549 PolarHBondContact O-N 3.34Å; Q545-R549 VanDerWaalsContact O-N 3.16Å; Q545-R549 PolarHBondContact O-NE 3.39Å; Q545-R549 VanDerWaalsContact O-NE 3.13Å
546	T	98	Very high	96.6	Very high	53 Å²	53	76.8 Å²	76.8	33%	0.325	37%	0.371	S	S	.	.	H	α-helix	trans	-68.5	-49.6	176.7	-59.2	0	0	0	0	110.4	Q542 D543 L544 L548 R549 E550	Q542-T546 WeakPolarHBondContact O-CB 3.43Å; Q542-T546 PolarHBondContact O-N 3.22Å; Q542-T546 PolarHBondContact O-OG1 2.97Å; D543-T546 PolarHBondContact O-N 3.33Å; L544-T546 VanDerWaalsContact C-N 3.29Å; L544-T546 PolarHBondContact O-N 2.8Å; T546-L548 VanDerWaalsContact C-N 3.32Å; T546-L548 PolarHBondContact O-N 3.37Å; T546-R549 PolarHBondContact O-N 2.9Å; T546-R549 PolarHBondContact OG1-NH2 3.43Å; T546-E550 WeakPolarHBondContact O-CG 3.47Å; T546-E550 PolarHBondContact O-N 2.83Å
547	L	97.7	Very high	96.6	Very high	29 Å²	29	78.5 Å²	78.5	15%	0.152	39%	0.386	C	S	.	.	H	α-helix	trans	-59.3	-42.4	177.3	-171.1	66.8	0	0	0	112.4	D543 L544 E550 Y551 A671 L672 L675	D543-L547 WeakPolarHBondContact O-CB 3.37Å; D543-L547 PolarHBondContact O-N 2.61Å; L544-L547 PolarHBondContact O-N 3.13Å; L547-E550 PolarHBondContact O-N 3.43Å; L547-Y551 HydrophobicContact CD1-CD2 3.99Å; L547-Y551 HydrophobicContact CD1-CE2 3.66Å; L547-Y551 HydrophobicContact CG-CD2 4.16Å; L547-Y551 HydrophobicContact CG-CE2 4.2Å; L547-Y551 WeakPolarHBondContact O-CD2 3.44Å; L547-Y551 PolarHBondContact O-N 3.49Å; L547-A671 HydrophobicContact CD1-CB 4.2Å; L547-A671 HydrophobicContact CD2-CB 4.06Å; L547-L672 HydrophobicContact CD2-CD2 3.97Å; L547-L672 HydrophobicContact CD2-CG 4.36Å; L547-L675 HydrophobicContact CD2-CB 4.38Å; L547-L675 HydrophobicContact CD2-CD2 3.99Å
548	L	97.5	Very high	96.6	Very high	50 Å²	50	77.1 Å²	77.1	26%	0.262	37%	0.373	S	S	.	.	H	α-helix	trans	-61.3	-46.2	177.2	-75.3	176.5	0	0	0	112.1	L544 T546 E552 L672	L544-L548 HydrophobicContact CD1-CD1 4.18Å; L544-L548 HydrophobicContact CD1-CG 4.29Å; L544-L548 HydrophobicContact CG-CD1 4.08Å; L544-L548 WeakPolarHBondContact O-CB 3.3Å; L544-L548 VanDerWaalsContact O-CG 3.22Å; L544-L548 WeakPolarHBondContact O-CG 3.44Å; L544-L548 PolarHBondContact O-N 2.89Å; T546-L548 VanDerWaalsContact C-N 3.32Å; T546-L548 PolarHBondContact O-N 3.37Å; L548-E552 WeakPolarHBondContact O-CB 3.5Å; L548-E552 PolarHBondContact O-N 3.13Å; L548-L672 HydrophobicContact CD2-CD1 4.36Å; L548-L672 HydrophobicContact CD2-CD2 4.18Å
549	R	97.6	Very high	96.5	Very high	153 Å²	153	73.7 Å²	73.7	58%	0.577	36%	0.364	S	S	*	.	H	α-helix	trans	-65.9	-37	178.7	-75.4	-178.2	-66.2	167.3	0.6	112.7	Q545 T546 S553	Q545-R549 WeakPolarHBondContact O-CB 3.37Å; Q545-R549 VanDerWaalsContact O-CG 3.28Å; Q545-R549 WeakPolarHBondContact O-CG 3.39Å; Q545-R549 PolarHBondContact O-N 3.34Å; Q545-R549 VanDerWaalsContact O-N 3.16Å; Q545-R549 PolarHBondContact O-NE 3.39Å; Q545-R549 VanDerWaalsContact O-NE 3.13Å; T546-R549 PolarHBondContact O-N 2.9Å; T546-R549 PolarHBondContact OG1-NH2 3.43Å; R549-S553 WeakPolarHBondContact O-CB 3.46Å; R549-S553 PolarHBondContact O-N 3.25Å
550	E	97.5	Very high	96.5	Very high	105 Å²	105	76.4 Å²	76.4	49%	0.491	37%	0.372	S	S	.	.	H	α-helix	trans	-61	-53.1	176.5	-74.5	172	177.6	0	0	111.1	T546 L547 E552 S553 E554	T546-E550 WeakPolarHBondContact O-CG 3.47Å; T546-E550 PolarHBondContact O-N 2.83Å; L547-E550 PolarHBondContact O-N 3.43Å; E550-E552 PolarHBondContact O-N 3.5Å; E550-S553 WeakPolarHBondContact O-CB 3.47Å; E550-S553 PolarHBondContact O-N 2.98Å; E550-E554 WeakPolarHBondContact O-CG 3.42Å; E550-E554 PolarHBondContact O-N 2.74Å
551	Y	96.8	Very high	96.4	Very high	43 Å²	43	77.3 Å²	77.3	17%	0.169	38%	0.383	C	S	.	.	H	α-helix	trans	-69.2	-32.4	179.8	-82.5	-74.8	0	0	0	113.7	L547 E554 V555 A667 R668 A671	L547-Y551 HydrophobicContact CD1-CD2 3.99Å; L547-Y551 HydrophobicContact CD1-CE2 3.66Å; L547-Y551 HydrophobicContact CG-CD2 4.16Å; L547-Y551 HydrophobicContact CG-CE2 4.2Å; L547-Y551 WeakPolarHBondContact O-CD2 3.44Å; L547-Y551 PolarHBondContact O-N 3.49Å; Y551-E554 PolarHBondContact O-N 3.37Å; Y551-V555 WeakPolarHBondContact O-CB 3.47Å; Y551-V555 VanDerWaalsContact O-CG2 3.26Å; Y551-V555 WeakPolarHBondContact O-CG2 3.29Å; Y551-V555 PolarHBondContact O-N 3.21Å; Y551-A667 HydrophobicContact CE1-CB 4.02Å; Y551-A667 PolarHBondContact OH-O 3.01Å; Y551-R668 HydrophobicContact CD1-CB 3.65Å; Y551-R668 HydrophobicContact CD1-CG 4.33Å; Y551-R668 HydrophobicContact CD2-CB 3.97Å; Y551-R668 HydrophobicContact CD2-CG 3.91Å; Y551-R668 HydrophobicContact CE1-CB 4.09Å; Y551-R668 HydrophobicContact CE2-CB 4.39Å; Y551-R668 HydrophobicContact CG-CB 3.58Å; Y551-R668 HydrophobicContact CG-CG 3.73Å; Y551-A671 HydrophobicContact CE2-CB 3.75Å
552	E	95.6	Very high	96.2	Very high	126 Å²	126	74.1 Å²	74.1	59%	0.589	37%	0.368	S	S	*	.	H	α-helix	trans	-61.8	-46.5	172.5	-174.5	172.1	-162.3	0	0	110.8	L548 E550 E554 V555 D556	L548-E552 WeakPolarHBondContact O-CB 3.5Å; L548-E552 PolarHBondContact O-N 3.13Å; E550-E552 PolarHBondContact O-N 3.5Å; E552-E554 PolarHBondContact O-N 3.2Å; E552-V555 PolarHBondContact O-N 3.24Å; E552-D556 WeakPolarHBondContact O-CB 3.3Å; E552-D556 PolarHBondContact O-N 3.09Å
553	S	96.5	Very high	96	Very high	72 Å²	72	73.8 Å²	73.8	50%	0.503	37%	0.365	S	S	.	.	H	α-helix	trans	-61.2	-41	175.6	-177.3	0	0	0	0	112.9	R549 E550 S557	R549-S553 WeakPolarHBondContact O-CB 3.46Å; R549-S553 PolarHBondContact O-N 3.25Å; E550-S553 WeakPolarHBondContact O-CB 3.47Å; E550-S553 PolarHBondContact O-N 2.98Å; S553-S557 VanDerWaalsContact O-CB 3.29Å; S553-S557 WeakPolarHBondContact O-CB 3.47Å; S553-S557 PolarHBondContact O-N 3.1Å
554	E	96	Very high	95.9	Very high	95 Å²	95	77.4 Å²	77.4	44%	0.444	38%	0.377	S	S	.	.	H	α-helix	trans	-66.6	-44.9	177.2	-74.5	-174.3	-177	0	0	112.7	E550 Y551 E552 D556 S557 I558	E550-E554 WeakPolarHBondContact O-CG 3.42Å; E550-E554 PolarHBondContact O-N 2.74Å; Y551-E554 PolarHBondContact O-N 3.37Å; E552-E554 PolarHBondContact O-N 3.2Å; E554-D556 VanDerWaalsContact C-N 3.33Å; E554-D556 PolarHBondContact O-N 3.27Å; E554-S557 WeakPolarHBondContact O-CB 3.34Å; E554-S557 PolarHBondContact O-N 3.48Å; E554-I558 WeakPolarHBondContact O-CG1 3.44Å; E554-I558 PolarHBondContact O-N 3.14Å
555	V	94.9	Very high	95.7	Very high	18 Å²	18	79.8 Å²	79.8	11%	0.109	39%	0.387	C	S	.	.	H	α-helix	trans	-60.8	-45.8	176.5	169.2	0	0	0	0	110.3	Y551 E552 S557 I558 M559 M664 L665	Y551-V555 WeakPolarHBondContact O-CB 3.47Å; Y551-V555 VanDerWaalsContact O-CG2 3.26Å; Y551-V555 WeakPolarHBondContact O-CG2 3.29Å; Y551-V555 PolarHBondContact O-N 3.21Å; E552-V555 PolarHBondContact O-N 3.24Å; V555-S557 VanDerWaalsContact C-N 3.34Å; V555-S557 PolarHBondContact O-N 3.31Å; V555-I558 PolarHBondContact O-N 2.8Å; V555-M559 HydrophobicContact CG1-CG 4.43Å; V555-M559 HydrophobicContact CG1-SD 3.94Å; V555-M559 WeakPolarHBondContact O-CB 3.45Å; V555-M559 VanDerWaalsContact O-CG 3.32Å; V555-M559 WeakPolarHBondContact O-CG 3.34Å; V555-M559 PolarHBondContact O-N 3.31Å; V555-M664 HydrophobicContact CG2-CB 4.09Å; V555-L665 HydrophobicContact CG2-CD2 4.18Å
556	D	95	Very high	95.5	Very high	72 Å²	72	76 Å²	76	39%	0.385	37%	0.37	S	S	.	.	H	α-helix	trans	-61.3	-41	176.1	-88.4	3.1	0	0	0	112.7	E552 E554 M559 R560	E552-D556 WeakPolarHBondContact O-CB 3.3Å; E552-D556 PolarHBondContact O-N 3.09Å; E554-D556 VanDerWaalsContact C-N 3.33Å; E554-D556 PolarHBondContact O-N 3.27Å; D556-M559 PolarHBondContact O-N 2.69Å; D556-R560 WeakPolarHBondContact O-CG 3.31Å; D556-R560 PolarHBondContact O-N 2.72Å
557	S	95.6	Very high	95.2	Very high	65 Å²	65	78.4 Å²	78.4	46%	0.455	38%	0.377	S	S	.	.	H	α-helix	trans	-61.9	-46.3	176.6	-172.8	0	0	0	0	111.5	S553 E554 V555 R560 C561	S553-S557 VanDerWaalsContact O-CB 3.29Å; S553-S557 WeakPolarHBondContact O-CB 3.47Å; S553-S557 PolarHBondContact O-N 3.1Å; E554-S557 WeakPolarHBondContact O-CB 3.34Å; E554-S557 PolarHBondContact O-N 3.48Å; V555-S557 VanDerWaalsContact C-N 3.34Å; V555-S557 PolarHBondContact O-N 3.31Å; S557-R560 PolarHBondContact O-N 3.08Å; S557-C561 PolarHBondContact O-N 3.16Å
558	I	95	Very high	95.1	Very high	43 Å²	43	82.7 Å²	82.7	22%	0.221	40%	0.396	C	S	.	.	H	α-helix	trans	-63.7	-46.4	176.7	-74.2	165.8	0	0	0	110.4	E554 V555 R560 C561 Q562 M664	E554-I558 WeakPolarHBondContact O-CG1 3.44Å; E554-I558 PolarHBondContact O-N 3.14Å; V555-I558 PolarHBondContact O-N 2.8Å; I558-R560 VanDerWaalsContact C-N 3.32Å; I558-R560 PolarHBondContact O-N 3.34Å; I558-C561 WeakPolarHBondContact O-CB 3.27Å; I558-C561 PolarHBondContact O-N 3.13Å; I558-C561 VanDerWaalsContact O-N 3.11Å; I558-Q562 VanDerWaalsContact CG2-CD 3.5Å; I558-Q562 HydrophobicContact CG2-CG 4.06Å; I558-Q562 WeakPolarHBondContact O-CB 3.5Å; I558-Q562 WeakPolarHBondContact O-CG 3.48Å; I558-Q562 PolarHBondContact O-N 3Å; I558-M664 HydrophobicContact CD1-CG 3.42Å; I558-M664 VanDerWaalsContact CD1-CG 3.42Å; I558-M664 HydrophobicContact CD1-SD 3.67Å
559	M	94.1	Very high	94.9	Very high	75 Å²	75	81 Å²	81	37%	0.369	39%	0.389	S	S	.	.	H	α-helix	trans	-59.5	-40.7	178.3	-75.2	-179.5	58.6	0	0	112.3	V555 D556 Q562 K563 K661	V555-M559 HydrophobicContact CG1-CG 4.43Å; V555-M559 HydrophobicContact CG1-SD 3.94Å; V555-M559 WeakPolarHBondContact O-CB 3.45Å; V555-M559 VanDerWaalsContact O-CG 3.32Å; V555-M559 WeakPolarHBondContact O-CG 3.34Å; V555-M559 PolarHBondContact O-N 3.31Å; D556-M559 PolarHBondContact O-N 2.69Å; M559-Q562 PolarHBondContact O-N 3.06Å; M559-K563 WeakPolarHBondContact O-CB 3.42Å; M559-K563 PolarHBondContact O-N 2.8Å; M559-K661 HydrophobicContact SD-CD 4.49Å
560	R	95.2	Very high	94.6	Very high	150 Å²	150	76.7 Å²	76.7	57%	0.566	38%	0.376	S	S	*	.	H	α-helix	trans	-63.8	-42.4	174.1	-74.7	-173.1	-67	-93.6	-0.1	112.4	D556 S557 I558 K564	D556-R560 WeakPolarHBondContact O-CG 3.31Å; D556-R560 PolarHBondContact O-N 2.72Å; S557-R560 PolarHBondContact O-N 3.08Å; I558-R560 VanDerWaalsContact C-N 3.32Å; I558-R560 PolarHBondContact O-N 3.34Å; R560-K564 PolarHBondContact O-N 2.84Å; R560-K564 VanDerWaalsContact O-N 3.17Å
561	C	94.6	Very high	94.4	Very high	65 Å²	65	78 Å²	78	44%	0.439	38%	0.38	S	S	.	.	H	α-helix	trans	-64.4	-45.5	177.9	-171.9	0	0	0	0	111.5	S557 I558 K564 Q565	S557-C561 PolarHBondContact O-N 3.16Å; I558-C561 WeakPolarHBondContact O-CB 3.27Å; I558-C561 PolarHBondContact O-N 3.13Å; I558-C561 VanDerWaalsContact O-N 3.11Å; C561-K564 PolarHBondContact O-N 3.18Å; C561-Q565 WeakPolarHBondContact O-CG 3.4Å; C561-Q565 PolarHBondContact O-N 3.06Å; C561-Q565 PolarHBondContact SG-NE2 3.28Å
562	Q	93	Very high	94.3	Very high	20 Å²	20	79.8 Å²	79.8	9%	0.093	39%	0.392	C	S	.	.	H	α-helix	trans	-61.3	-45.1	177.7	-70.5	175.4	-13.4	0	0	111.6	I558 M559 K564 Q565 L566 F657 Q660	I558-Q562 VanDerWaalsContact CG2-CD 3.5Å; I558-Q562 HydrophobicContact CG2-CG 4.06Å; I558-Q562 WeakPolarHBondContact O-CB 3.5Å; I558-Q562 WeakPolarHBondContact O-CG 3.48Å; I558-Q562 PolarHBondContact O-N 3Å; M559-Q562 PolarHBondContact O-N 3.06Å; Q562-K564 VanDerWaalsContact C-N 3.34Å; Q562-K564 PolarHBondContact O-N 3.36Å; Q562-Q565 PolarHBondContact O-N 2.73Å; Q562-L566 WeakPolarHBondContact O-CB 3.43Å; Q562-L566 PolarHBondContact O-N 2.79Å; Q562-F657 HydrophobicContact CB-CB 4.23Å; Q562-F657 HydrophobicContact CB-CD1 4.17Å; Q562-F657 HydrophobicContact CB-CD2 3.68Å; Q562-F657 HydrophobicContact CB-CE1 4.46Å; Q562-F657 HydrophobicContact CB-CE2 4.01Å; Q562-F657 HydrophobicContact CB-CG 3.77Å; Q562-F657 HydrophobicContact CB-CZ 4.39Å; Q562-F657 HydrophobicContact CG-CB 3.87Å; Q562-F657 HydrophobicContact CG-CD1 3.55Å; Q562-F657 HydrophobicContact CG-CD2 3.99Å; Q562-F657 HydrophobicContact CG-CE1 4.03Å; Q562-F657 HydrophobicContact CG-CE2 4.43Å; Q562-F657 HydrophobicContact CG-CG 3.52Å; Q562-F657 HydrophobicContact CG-CZ 4.45Å; Q562-F657 VanDerWaalsContact NE2-CA 3.27Å; Q562-F657 PolarHBondContact NE2-O 2.88Å; Q562-F657 WeakPolarHBondContact O-CE2 3.46Å; Q562-Q660 VanDerWaalsContact NE2-OE1 3.14Å
563	K	93.4	Very high	94.1	Very high	116 Å²	116	74.9 Å²	74.9	50%	0.504	37%	0.369	S	S	.	.	H	α-helix	trans	-56.3	-47.2	175.1	-179.8	174.6	176.8	175.8	0	111.8	M559 Q565 L566 E567	M559-K563 WeakPolarHBondContact O-CB 3.42Å; M559-K563 PolarHBondContact O-N 2.8Å; K563-Q565 PolarHBondContact O-N 3.09Å; K563-L566 PolarHBondContact O-N 2.89Å; K563-E567 WeakPolarHBondContact CE-OE1 3.39Å; K563-E567 WeakPolarHBondContact O-CG 3.28Å; K563-E567 PolarHBondContact O-N 3.27Å
564	K	94.6	Very high	93.8	Very high	144 Å²	144	76.6 Å²	76.6	63%	0.626	37%	0.369	S	S	*	.	H	α-helix	trans	-62.7	-42.3	178.1	-174.5	-178.8	176.9	-175.1	0	112.4	R560 C561 Q562 L566 E567 E568	R560-K564 PolarHBondContact O-N 2.84Å; R560-K564 VanDerWaalsContact O-N 3.17Å; C561-K564 PolarHBondContact O-N 3.18Å; Q562-K564 VanDerWaalsContact C-N 3.34Å; Q562-K564 PolarHBondContact O-N 3.36Å; K564-L566 VanDerWaalsContact C-N 3.31Å; K564-L566 PolarHBondContact O-N 3.44Å; K564-E567 PolarHBondContact O-N 2.79Å; K564-E568 WeakPolarHBondContact O-CB 3.42Å; K564-E568 PolarHBondContact O-N 3.35Å
565	Q	93.7	Very high	93.6	Very high	90 Å²	90	75.3 Å²	75.3	42%	0.421	37%	0.365	S	S	.	.	H	α-helix	trans	-64.6	-37.1	176.9	-71.4	179.9	31.2	0	0	112	C561 Q562 K563 E568 A569 F657	C561-Q565 WeakPolarHBondContact O-CG 3.4Å; C561-Q565 PolarHBondContact O-N 3.06Å; C561-Q565 PolarHBondContact SG-NE2 3.28Å; Q562-Q565 PolarHBondContact O-N 2.73Å; K563-Q565 PolarHBondContact O-N 3.09Å; Q565-E568 PolarHBondContact O-N 3.1Å; Q565-A569 WeakPolarHBondContact O-CB 3.34Å; Q565-A569 PolarHBondContact O-N 2.8Å; Q565-F657 HydrophobicContact CB-CE2 4.28Å; Q565-F657 HydrophobicContact CB-CZ 3.69Å; Q565-F657 HydrophobicContact CG-CZ 4.48Å; Q565-F657 VanDerWaalsContact OE1-CZ 3.29Å
566	L	92.8	Very high	93.5	Very high	13 Å²	13	77.8 Å²	77.8	7%	0.068	38%	0.378	C	S	.	.	H	α-helix	trans	-66.4	-47.7	176.5	-163.9	117.2	0	0	0	111.4	Q562 K563 K564 E568 A569 E570 I650 E654 F657	Q562-L566 WeakPolarHBondContact O-CB 3.43Å; Q562-L566 PolarHBondContact O-N 2.79Å; K563-L566 PolarHBondContact O-N 2.89Å; K564-L566 VanDerWaalsContact C-N 3.31Å; K564-L566 PolarHBondContact O-N 3.44Å; L566-E568 VanDerWaalsContact C-N 3.28Å; L566-E568 PolarHBondContact O-N 2.7Å; L566-A569 PolarHBondContact O-N 2.89Å; L566-E570 WeakPolarHBondContact O-CG 3.4Å; L566-E570 PolarHBondContact O-N 3.47Å; L566-I650 HydrophobicContact CD1-CG2 4.31Å; L566-E654 HydrophobicContact CD1-CG 3.23Å; L566-E654 WeakPolarHBondContact CD1-OE1 3.5Å; L566-F657 HydrophobicContact CB-CE2 4.4Å; L566-F657 HydrophobicContact CD1-CE2 4.43Å
567	E	93.3	Very high	93.2	Very high	103 Å²	103	76.6 Å²	76.6	48%	0.481	37%	0.37	S	S	.	.	H	α-helix	trans	-58.8	-39.1	176.1	-72.3	171	179.1	0	0	111.9	K563 K564 K571	K563-E567 WeakPolarHBondContact CE-OE1 3.39Å; K563-E567 WeakPolarHBondContact O-CG 3.28Å; K563-E567 PolarHBondContact O-N 3.27Å; K564-E567 PolarHBondContact O-N 2.79Å; E567-K571 WeakPolarHBondContact O-CB 3.33Å; E567-K571 PolarHBondContact O-N 3.29Å
568	E	94.7	Very high	93	Very high	118 Å²	118	77.9 Å²	77.9	55%	0.551	37%	0.368	S	S	*	.	H	α-helix	trans	-67.6	-43.7	175.6	-175.8	170	-171.4	0	0	112.2	K564 Q565 L566 K571 I572	K564-E568 WeakPolarHBondContact O-CB 3.42Å; K564-E568 PolarHBondContact O-N 3.35Å; Q565-E568 PolarHBondContact O-N 3.1Å; L566-E568 VanDerWaalsContact C-N 3.28Å; L566-E568 PolarHBondContact O-N 2.7Å; E568-K571 PolarHBondContact O-N 3.08Å; E568-I572 HydrophobicContact CG-CD1 4.3Å; E568-I572 WeakPolarHBondContact O-CG1 3.04Å; E568-I572 PolarHBondContact O-N 2.7Å
569	A	92.9	Very high	92.8	Very high	14 Å²	14	79.6 Å²	79.6	12%	0.116	38%	0.376	C	S	.	.	H	α-helix	trans	-62.5	-42.3	176.2	0	0	0	0	0	111.9	Q565 L566 I572 Q573 I650 L653	Q565-A569 WeakPolarHBondContact O-CB 3.34Å; Q565-A569 PolarHBondContact O-N 2.8Å; L566-A569 PolarHBondContact O-N 2.89Å; A569-I572 PolarHBondContact O-N 2.98Å; A569-Q573 VanDerWaalsContact O-CG 3.3Å; A569-Q573 WeakPolarHBondContact O-CG 3.31Å; A569-Q573 PolarHBondContact O-N 2.89Å; A569-Q573 VanDerWaalsContact O-N 3.11Å; A569-I650 HydrophobicContact CB-CD1 3.84Å; A569-L653 HydrophobicContact CB-CD1 3.92Å
570	E	91.6	Very high	92.6	Very high	63 Å²	63	77 Å²	77	29%	0.294	37%	0.367	S	S	.	.	H	α-helix	trans	-64.2	-40.8	176.5	-72.5	-175.1	162.5	0	0	111.9	L566 Q573 E574 I650 R873	L566-E570 WeakPolarHBondContact O-CG 3.4Å; L566-E570 PolarHBondContact O-N 3.47Å; E570-Q573 PolarHBondContact O-N 2.91Å; E570-E574 PolarHBondContact O-N 3.15Å; E570-I650 HydrophobicContact CG-CD1 3.89Å; E570-R873 IonicContact OE1-CZ 3.5Å; E570-R873 IonicContact OE1-NH1 2.69Å; E570-R873 PolarHBondContact OE1-NH1 3.36Å; E570-R873 IonicContact OE1-NH2 4Å
571	K	93.9	Very high	92.2	Very high	133 Å²	133	72.1 Å²	72.1	58%	0.578	35%	0.354	S	S	*	.	H	α-helix	trans	-61.9	-44.4	176	-175.5	-179.2	177.5	-175.1	0	112.3	E567 E568 Q573 E574 D575	E567-K571 WeakPolarHBondContact O-CB 3.33Å; E567-K571 PolarHBondContact O-N 3.29Å; E568-K571 PolarHBondContact O-N 3.08Å; K571-Q573 VanDerWaalsContact C-N 3.29Å; K571-Q573 PolarHBondContact O-N 3Å; K571-E574 PolarHBondContact O-N 3.19Å; K571-D575 PolarHBondContact O-N 3.5Å
572	I	93.6	Very high	92	Very high	80 Å²	80	76 Å²	76	41%	0.41	36%	0.363	S	S	.	.	H	α-helix	trans	-59.5	-43.6	176.3	-68.3	165.6	0	0	0	110.2	E568 A569 E574 D575 D576	E568-I572 HydrophobicContact CG-CD1 4.3Å; E568-I572 WeakPolarHBondContact O-CG1 3.04Å; E568-I572 PolarHBondContact O-N 2.7Å; A569-I572 PolarHBondContact O-N 2.98Å; I572-E574 PolarHBondContact O-N 3.41Å; I572-D575 PolarHBondContact O-N 3.12Å; I572-D576 WeakPolarHBondContact O-CB 3.46Å; I572-D576 PolarHBondContact O-N 3.26Å
573	Q	91.1	Very high	91.7	Very high	24 Å²	24	83.1 Å²	83.1	11%	0.112	39%	0.39	C	S	.	.	H	α-helix	trans	-64.9	-38.4	178.3	-71.1	179.3	-3.7	0	0	112.8	A569 E570 K571 D575 D576 M577 H646	A569-Q573 VanDerWaalsContact O-CG 3.3Å; A569-Q573 WeakPolarHBondContact O-CG 3.31Å; A569-Q573 PolarHBondContact O-N 2.89Å; A569-Q573 VanDerWaalsContact O-N 3.11Å; E570-Q573 PolarHBondContact O-N 2.91Å; K571-Q573 VanDerWaalsContact C-N 3.29Å; K571-Q573 PolarHBondContact O-N 3Å; Q573-D575 VanDerWaalsContact C-N 3.35Å; Q573-D576 PolarHBondContact O-N 3.08Å; Q573-M577 WeakPolarHBondContact O-CB 3.41Å; Q573-M577 VanDerWaalsContact O-CG 3.32Å; Q573-M577 WeakPolarHBondContact O-CG 3.43Å; Q573-M577 PolarHBondContact O-N 2.86Å; Q573-H646 HydrophobicContact CB-CB 4.33Å; Q573-H646 WeakPolarHBondContact CB-ND1 3.37Å; Q573-H646 VanDerWaalsContact CD-CB 3.42Å; Q573-H646 HydrophobicContact CG-CB 3.9Å; Q573-H646 VanDerWaalsContact NE2-CA 3.34Å; Q573-H646 PolarHBondContact NE2-O 2.92Å; Q573-H646 PolarHBondContact O-CE1 3.3Å
574	E	90.7	Very high	91.2	Very high	107 Å²	107	78.7 Å²	78.7	50%	0.5	37%	0.371	S	S	.	.	H	α-helix	trans	-63.7	-42	175.5	-161.3	-164.3	155.4	0	0	111.3	E570 K571 I572 M577 K578	E570-E574 PolarHBondContact O-N 3.15Å; K571-E574 PolarHBondContact O-N 3.19Å; I572-E574 PolarHBondContact O-N 3.41Å; E574-M577 PolarHBondContact O-N 3.38Å; E574-K578 VanDerWaalsContact O-CG 3.26Å; E574-K578 WeakPolarHBondContact O-CG 3.47Å; E574-K578 PolarHBondContact O-N 2.85Å; E574-K578 WeakPolarHBondContact OE1-CE 3.38Å; E574-K578 IonicContact OE1-NZ 3.88Å; E574-K578 PolarHBondContact OE1-NZ 3.34Å; E574-K578 IonicContact OE2-NZ 3.25Å
575	D	93	Very high	90.8	Very high	68 Å²	68	78 Å²	78	36%	0.364	37%	0.368	S	S	.	.	H	α-helix	trans	-67.1	-42.4	176.6	-72.3	-21.2	0	0	0	111.7	K571 I572 Q573 M577 K578 I579	K571-D575 PolarHBondContact O-N 3.5Å; I572-D575 PolarHBondContact O-N 3.12Å; Q573-D575 VanDerWaalsContact C-N 3.35Å; D575-M577 PolarHBondContact O-N 3.45Å; D575-K578 WeakPolarHBondContact O-CB 3.37Å; D575-K578 PolarHBondContact O-N 2.88Å; D575-K578 IonicContact OD1-NZ 2.87Å; D575-I579 VanDerWaalsContact O-CG1 3.28Å; D575-I579 WeakPolarHBondContact O-CG1 3.36Å; D575-I579 PolarHBondContact O-N 2.92Å
576	D	91.9	Very high	90.4	Very high	70 Å²	70	77.7 Å²	77.7	37%	0.374	37%	0.372	S	S	.	.	H	α-helix	trans	-60.8	-43	174.2	-76.3	-17	0	0	0	111.5	I572 Q573 I579 A580 H646	I572-D576 WeakPolarHBondContact O-CB 3.46Å; I572-D576 PolarHBondContact O-N 3.26Å; Q573-D576 PolarHBondContact O-N 3.08Å; D576-I579 PolarHBondContact O-N 3.26Å; D576-A580 WeakPolarHBondContact O-CB 3.47Å; D576-A580 PolarHBondContact O-N 3.33Å; D576-H646 IonicContact OD2-NE2 2.74Å
577	M	89.3	Confident	89.8	Confident	48 Å²	48	81.1 Å²	81.1	24%	0.236	39%	0.388	C	S	.	.	H	α-helix	trans	-64.8	-39.8	175.2	-78.1	-61.2	-67.7	0	0	112.5	Q573 E574 D575 I579 A580 T581 L639 L642	Q573-M577 WeakPolarHBondContact O-CB 3.41Å; Q573-M577 VanDerWaalsContact O-CG 3.32Å; Q573-M577 WeakPolarHBondContact O-CG 3.43Å; Q573-M577 PolarHBondContact O-N 2.86Å; E574-M577 PolarHBondContact O-N 3.38Å; D575-M577 PolarHBondContact O-N 3.45Å; M577-I579 VanDerWaalsContact C-N 3.35Å; M577-A580 PolarHBondContact O-N 3.47Å; M577-T581 VanDerWaalsContact O-CB 3.29Å; M577-T581 WeakPolarHBondContact O-CB 3.2Å; M577-T581 PolarHBondContact O-N 3.31Å; M577-T581 PolarHBondContact O-OG1 3.03Å; M577-L639 HydrophobicContact CE-CD2 4.07Å; M577-L642 HydrophobicContact SD-CB 4.3Å; M577-L642 HydrophobicContact SD-CD2 3.72Å; M577-L642 HydrophobicContact SD-CG 3.98Å
578	K	90.9	Very high	89.2	Confident	91 Å²	91	79.8 Å²	79.8	40%	0.396	38%	0.382	S	S	.	.	H	α-helix	trans	-62.6	-42.3	174.1	-74.9	166.1	-172.8	158.8	0	111.1	E574 D575 K582	E574-K578 VanDerWaalsContact O-CG 3.26Å; E574-K578 WeakPolarHBondContact O-CG 3.47Å; E574-K578 PolarHBondContact O-N 2.85Å; E574-K578 WeakPolarHBondContact OE1-CE 3.38Å; E574-K578 IonicContact OE1-NZ 3.88Å; E574-K578 PolarHBondContact OE1-NZ 3.34Å; E574-K578 IonicContact OE2-NZ 3.25Å; D575-K578 WeakPolarHBondContact O-CB 3.37Å; D575-K578 PolarHBondContact O-N 2.88Å; D575-K578 IonicContact OD1-NZ 2.87Å; K578-K582 WeakPolarHBondContact O-CB 3.37Å; K578-K582 VanDerWaalsContact O-CG 3.27Å; K578-K582 WeakPolarHBondContact O-CG 3.1Å; K578-K582 PolarHBondContact O-N 2.94Å
579	I	91.5	Very high	88.6	Confident	79 Å²	79	78.6 Å²	78.6	41%	0.405	38%	0.382	S	S	.	.	H	α-helix	trans	-66.2	-47.9	177.9	-68	164.9	0	0	0	110.5	D575 D576 M577 T581 K582 R583	D575-I579 VanDerWaalsContact O-CG1 3.28Å; D575-I579 WeakPolarHBondContact O-CG1 3.36Å; D575-I579 PolarHBondContact O-N 2.92Å; D576-I579 PolarHBondContact O-N 3.26Å; M577-I579 VanDerWaalsContact C-N 3.35Å; I579-T581 PolarHBondContact O-N 2.97Å; I579-K582 PolarHBondContact O-N 2.75Å; I579-R583 WeakPolarHBondContact O-CG 3.35Å; I579-R583 PolarHBondContact O-N 3.17Å
580	A	88.5	Confident	88	Confident	20 Å²	20	83.8 Å²	83.8	17%	0.165	40%	0.404	C	S	.	.	H	α-helix	trans	-59.4	-45.2	177.7	0	0	0	0	0	111.7	D576 M577 K582 R583 L584 L639 L642	D576-A580 WeakPolarHBondContact O-CB 3.47Å; D576-A580 PolarHBondContact O-N 3.33Å; M577-A580 PolarHBondContact O-N 3.47Å; A580-K582 VanDerWaalsContact C-N 3.34Å; A580-K582 PolarHBondContact O-N 3.13Å; A580-R583 PolarHBondContact O-N 2.95Å; A580-L584 WeakPolarHBondContact O-CG 3.3Å; A580-L584 PolarHBondContact O-N 3.45Å; A580-L639 HydrophobicContact CB-CD2 4.07Å; A580-L642 HydrophobicContact CB-CD2 3.64Å
581	T	88.1	Confident	87.1	Confident	49 Å²	49	82.1 Å²	82.1	30%	0.301	40%	0.397	S	S	.	.	H	α-helix	trans	-62.1	-40.8	176.7	-57.4	0	0	0	0	111.9	M577 I579 K585	M577-T581 VanDerWaalsContact O-CB 3.29Å; M577-T581 WeakPolarHBondContact O-CB 3.2Å; M577-T581 PolarHBondContact O-N 3.31Å; M577-T581 PolarHBondContact O-OG1 3.03Å; I579-T581 PolarHBondContact O-N 2.97Å; T581-K585 WeakPolarHBondContact O-CG 3.38Å; T581-K585 PolarHBondContact O-N 3.45Å
582	K	89.6	Confident	86.4	Confident	146 Å²	146	80.7 Å²	80.7	64%	0.635	39%	0.391	S	S	*	.	H	α-helix	trans	-63.9	-44	175.4	-76.4	173.1	-177.7	178.4	0	111.6	K578 I579 A580 K585 V586	K578-K582 WeakPolarHBondContact O-CB 3.37Å; K578-K582 VanDerWaalsContact O-CG 3.27Å; K578-K582 WeakPolarHBondContact O-CG 3.1Å; K578-K582 PolarHBondContact O-N 2.94Å; I579-K582 PolarHBondContact O-N 2.75Å; A580-K582 VanDerWaalsContact C-N 3.34Å; A580-K582 PolarHBondContact O-N 3.13Å; K582-K585 PolarHBondContact O-N 3.04Å; K582-V586 WeakPolarHBondContact O-CG2 3.34Å; K582-V586 PolarHBondContact O-N 3.31Å; K582-V586 VanDerWaalsContact O-N 3.12Å
583	R	86.1	Confident	85.7	Confident	170 Å²	170	83.2 Å²	83.2	64%	0.642	40%	0.401	S	S	*	.	H	α-helix	trans	-58.8	-48.2	176.2	-72.5	178.7	-178.9	-178.1	2.1	111.4	I579 A580 K585 V586 E587	I579-R583 WeakPolarHBondContact O-CG 3.35Å; I579-R583 PolarHBondContact O-N 3.17Å; A580-R583 PolarHBondContact O-N 2.95Å; R583-K585 VanDerWaalsContact C-N 3.31Å; R583-K585 PolarHBondContact O-N 2.98Å; R583-V586 WeakPolarHBondContact O-CB 3.33Å; R583-V586 PolarHBondContact O-N 3.28Å; R583-V586 VanDerWaalsContact O-N 3.11Å; R583-E587 PolarHBondContact O-N 2.84Å
584	L	84.3	Confident	85	Confident	22 Å²	22	87.1 Å²	87.1	12%	0.115	42%	0.418	C	S	.	.	H	α-helix	trans	-63.9	-34	178.3	-67.5	167.3	0	0	0	113	A580 E587 E588 H635 L639	A580-L584 WeakPolarHBondContact O-CG 3.3Å; A580-L584 PolarHBondContact O-N 3.45Å; L584-E587 PolarHBondContact O-N 2.85Å; L584-E588 WeakPolarHBondContact O-CB 3.34Å; L584-E588 PolarHBondContact O-N 3.1Å; L584-H635 HydrophobicContact CD2-CB 4.02Å; L584-H635 WeakPolarHBondContact CD2-ND1 3.18Å; L584-L639 HydrophobicContact CD1-CD1 3.66Å; L584-L639 HydrophobicContact CD1-CD2 3.49Å; L584-L639 VanDerWaalsContact CD1-CD2 3.49Å; L584-L639 HydrophobicContact CD1-CG 3.31Å
585	K	84.7	Confident	84	Confident	130 Å²	130	84.8 Å²	84.8	57%	0.565	40%	0.404	S	S	*	.	H	α-helix	trans	-65.6	-38	173.3	-77.5	178.4	178.9	-178.1	0	112.5	T581 K582 R583 E588 V589	T581-K585 WeakPolarHBondContact O-CG 3.38Å; T581-K585 PolarHBondContact O-N 3.45Å; K582-K585 PolarHBondContact O-N 3.04Å; R583-K585 VanDerWaalsContact C-N 3.31Å; R583-K585 PolarHBondContact O-N 2.98Å; K585-E588 PolarHBondContact O-N 3.06Å; K585-V589 WeakPolarHBondContact O-CG2 3.5Å; K585-V589 PolarHBondContact O-N 3.25Å
586	V	85.3	Confident	83.3	Confident	84 Å²	84	85.2 Å²	85.2	51%	0.509	40%	0.404	S	S	.	.	H	α-helix	trans	-65.1	-48.8	174.6	174.9	0	0	0	0	109.8	K582 R583 E588 V589 E590	K582-V586 WeakPolarHBondContact O-CG2 3.34Å; K582-V586 PolarHBondContact O-N 3.31Å; K582-V586 VanDerWaalsContact O-N 3.12Å; R583-V586 WeakPolarHBondContact O-CB 3.33Å; R583-V586 PolarHBondContact O-N 3.28Å; R583-V586 VanDerWaalsContact O-N 3.11Å; V586-E588 VanDerWaalsContact C-N 3.29Å; V586-E588 PolarHBondContact O-N 3.22Å; V586-V589 PolarHBondContact O-N 3.46Å; V586-V589 VanDerWaalsContact O-N 3.1Å; V586-E590 WeakPolarHBondContact O-CG 3.37Å; V586-E590 PolarHBondContact O-N 3.35Å
587	E	81.7	Confident	82.6	Confident	85 Å²	85	84.3 Å²	84.3	40%	0.397	40%	0.401	S	S	.	.	H	α-helix	trans	-57.3	-40.6	174.4	-69.3	174.1	-169.7	0	0	111.7	R583 L584 V589 E590 L591 H635	R583-E587 PolarHBondContact O-N 2.84Å; L584-E587 PolarHBondContact O-N 2.85Å; E587-V589 PolarHBondContact O-N 2.9Å; E587-E590 PolarHBondContact O-N 2.79Å; E587-L591 VanDerWaalsContact O-CB 3.28Å; E587-L591 WeakPolarHBondContact O-CB 3.32Å; E587-L591 WeakPolarHBondContact O-CD1 3.43Å; E587-L591 WeakPolarHBondContact O-CG 3.25Å; E587-L591 PolarHBondContact O-N 3.33Å; E587-H635 IonicContact OE2-CE1 2.63Å; E587-H635 PolarHBondContact OE2-CE1 3.37Å; E587-H635 IonicContact OE2-ND1 3.2Å; E587-H635 PolarHBondContact OE2-ND1 3.49Å
588	E	80.1	Confident	81.7	Confident	74 Å²	74	83.6 Å²	83.6	35%	0.346	40%	0.398	S	S	.	.	H	α-helix	trans	-64.7	-37.3	177	-164.4	-161.2	151.9	0	0	112.3	L584 K585 V586 L591 K592	L584-E588 WeakPolarHBondContact O-CB 3.34Å; L584-E588 PolarHBondContact O-N 3.1Å; K585-E588 PolarHBondContact O-N 3.06Å; V586-E588 VanDerWaalsContact C-N 3.29Å; V586-E588 PolarHBondContact O-N 3.22Å; E588-L591 PolarHBondContact O-N 3.08Å; E588-K592 WeakPolarHBondContact O-CB 3.43Å; E588-K592 WeakPolarHBondContact O-CG 3.46Å; E588-K592 PolarHBondContact O-N 2.88Å; E588-K592 WeakPolarHBondContact OE1-CE 3.26Å; E588-K592 IonicContact OE1-NZ 2.87Å; E588-K592 PolarHBondContact OE1-NZ 3.24Å
589	V	81.9	Confident	80.8	Confident	94 Å²	94	85.7 Å²	85.7	57%	0.57	40%	0.403	S	S	*	.	H	α-helix	trans	-68.1	-44.5	174.9	170.5	0	0	0	0	110.5	K585 V586 E587 L591 K592 H593	K585-V589 WeakPolarHBondContact O-CG2 3.5Å; K585-V589 PolarHBondContact O-N 3.25Å; V586-V589 PolarHBondContact O-N 3.46Å; V586-V589 VanDerWaalsContact O-N 3.1Å; E587-V589 PolarHBondContact O-N 2.9Å; V589-L591 VanDerWaalsContact C-N 3.31Å; V589-L591 PolarHBondContact O-N 3.21Å; V589-K592 WeakPolarHBondContact O-CB 3.43Å; V589-K592 PolarHBondContact O-N 3.38Å; V589-K592 VanDerWaalsContact O-N 3.14Å; V589-H593 PolarHBondContact O-N 3.06Å
590	E	79.3	Confident	80	Confident	123 Å²	123	86.8 Å²	86.8	58%	0.575	41%	0.407	S	S	*	.	H	α-helix	trans	-60.2	-42.1	173.9	-70.1	176.5	179.1	0	0	111.2	V586 E587 H593 F594	V586-E590 WeakPolarHBondContact O-CG 3.37Å; V586-E590 PolarHBondContact O-N 3.35Å; E587-E590 PolarHBondContact O-N 2.79Å; E590-H593 WeakPolarHBondContact O-CB 3.4Å; E590-H593 PolarHBondContact O-N 3.41Å; E590-F594 WeakPolarHBondContact O-CB 3.04Å; E590-F594 PolarHBondContact O-N 2.87Å
591	L	73.9	Confident	79.3	Confident	27 Å²	27	90.8 Å²	90.8	14%	0.141	42%	0.422	C	S	.	.	H	α-helix	trans	-63.2	-40	172.4	-85.9	152.3	0	0	0	112.2	E587 E588 V589 F594 R595 H635	E587-L591 VanDerWaalsContact O-CB 3.28Å; E587-L591 WeakPolarHBondContact O-CB 3.32Å; E587-L591 WeakPolarHBondContact O-CD1 3.43Å; E587-L591 WeakPolarHBondContact O-CG 3.25Å; E587-L591 PolarHBondContact O-N 3.33Å; E588-L591 PolarHBondContact O-N 3.08Å; V589-L591 VanDerWaalsContact C-N 3.31Å; V589-L591 PolarHBondContact O-N 3.21Å; L591-F594 PolarHBondContact O-N 3.06Å; L591-R595 WeakPolarHBondContact O-CB 3.35Å; L591-R595 WeakPolarHBondContact O-CG 3.47Å; L591-R595 PolarHBondContact O-N 3.19Å; L591-H635 WeakPolarHBondContact CD1-NE2 3.33Å
592	K	78.8	Confident	78.3	Confident	103 Å²	103	92 Å²	92	45%	0.448	42%	0.424	S	S	.	.	H	α-helix	trans	-64	-41.5	173.5	-81.7	173.6	-174.7	158.5	0	111.8	E588 V589 R595 E596	E588-K592 WeakPolarHBondContact O-CB 3.43Å; E588-K592 WeakPolarHBondContact O-CG 3.46Å; E588-K592 PolarHBondContact O-N 2.88Å; E588-K592 WeakPolarHBondContact OE1-CE 3.26Å; E588-K592 IonicContact OE1-NZ 2.87Å; E588-K592 PolarHBondContact OE1-NZ 3.24Å; V589-K592 WeakPolarHBondContact O-CB 3.43Å; V589-K592 PolarHBondContact O-N 3.38Å; V589-K592 VanDerWaalsContact O-N 3.14Å; K592-R595 WeakPolarHBondContact O-CB 3.45Å; K592-R595 PolarHBondContact O-N 2.83Å; K592-E596 PolarHBondContact O-N 3.05Å; K592-E596 VanDerWaalsContact O-N 3.08Å
593	H	79.6	Confident	77.5	Confident	134 Å²	134	92 Å²	92	62%	0.62	42%	0.424	S	S	*	.	H	α-helix	trans	-62.6	-46.8	174	-176	69.3	0	0	0	110.7	V589 E590 R595 E596 V597	V589-H593 PolarHBondContact O-N 3.06Å; E590-H593 WeakPolarHBondContact O-CB 3.4Å; E590-H593 PolarHBondContact O-N 3.41Å; H593-R595 VanDerWaalsContact C-N 3.33Å; H593-R595 PolarHBondContact O-N 3.39Å; H593-E596 WeakPolarHBondContact O-CB 3.5Å; H593-E596 PolarHBondContact O-N 3.01Å; H593-E596 VanDerWaalsContact O-N 3.07Å; H593-V597 WeakPolarHBondContact O-CG2 3.47Å; H593-V597 PolarHBondContact O-N 3.41Å
594	F	76.1	Confident	76.8	Confident	106 Å²	106	88.9 Å²	88.9	47%	0.465	42%	0.42	S	S	.	.	H	α-helix	trans	-59.4	-39.4	173.5	-175.7	-113.4	0	0	0	112.6	E590 L591 E596 V597 L598	E590-F594 WeakPolarHBondContact O-CB 3.04Å; E590-F594 PolarHBondContact O-N 2.87Å; L591-F594 PolarHBondContact O-N 3.06Å; F594-E596 VanDerWaalsContact C-N 3.3Å; F594-E596 PolarHBondContact O-N 3.41Å; F594-V597 PolarHBondContact O-N 3.07Å; F594-L598 HydrophobicContact CD1-CD1 3.67Å; F594-L598 HydrophobicContact CD1-CG 4.29Å; F594-L598 HydrophobicContact CE1-CD1 3.39Å; F594-L598 HydrophobicContact CE1-CG 4.05Å; F594-L598 HydrophobicContact CE2-CD2 4.47Å; F594-L598 HydrophobicContact CE2-CG 4.34Å; F594-L598 HydrophobicContact CG-CD1 4.38Å; F594-L598 HydrophobicContact CZ-CD1 3.86Å; F594-L598 HydrophobicContact CZ-CD2 4.12Å; F594-L598 HydrophobicContact CZ-CG 4.06Å; F594-L598 WeakPolarHBondContact O-CB 3.33Å; F594-L598 VanDerWaalsContact O-CG 3.29Å; F594-L598 WeakPolarHBondContact O-CG 3.43Å; F594-L598 PolarHBondContact O-N 3.01Å
595	R	70.7	Confident	75.7	Confident	57 Å²	57	91.7 Å²	91.7	22%	0.215	43%	0.434	C	S	.	.	H	α-helix	trans	-59.8	-37.9	172.9	-74.2	168.9	-167.7	-159.7	-9	112.2	L591 K592 H593 R599 L628	L591-R595 WeakPolarHBondContact O-CB 3.35Å; L591-R595 WeakPolarHBondContact O-CG 3.47Å; L591-R595 PolarHBondContact O-N 3.19Å; K592-R595 WeakPolarHBondContact O-CB 3.45Å; K592-R595 PolarHBondContact O-N 2.83Å; H593-R595 VanDerWaalsContact C-N 3.33Å; H593-R595 PolarHBondContact O-N 3.39Å; R595-R599 WeakPolarHBondContact O-CB 3.43Å; R595-R599 PolarHBondContact O-N 3.38Å; R595-L628 HydrophobicContact CG-CD1 4.11Å; R595-L628 VanDerWaalsContact CZ-CD1 3.5Å; R595-L628 VanDerWaalsContact NE-CD1 3.29Å
596	E	76.7	Confident	74.7	Confident	77 Å²	77	91.5 Å²	91.5	36%	0.36	43%	0.434	S	S	.	.	H	α-helix	trans	-68.6	-46.7	177.6	-174	58.3	-143.9	0	0	110.8	K592 H593 F594 L598 R599 Q600	K592-E596 PolarHBondContact O-N 3.05Å; K592-E596 VanDerWaalsContact O-N 3.08Å; H593-E596 WeakPolarHBondContact O-CB 3.5Å; H593-E596 PolarHBondContact O-N 3.01Å; H593-E596 VanDerWaalsContact O-N 3.07Å; F594-E596 VanDerWaalsContact C-N 3.3Å; F594-E596 PolarHBondContact O-N 3.41Å; E596-L598 PolarHBondContact O-N 3.36Å; E596-R599 WeakPolarHBondContact O-CB 3.5Å; E596-R599 PolarHBondContact O-N 3.37Å; E596-R599 VanDerWaalsContact O-N 3.11Å; E596-R599 IonicContact OE2-CZ 4Å; E596-R599 IonicContact OE2-NH1 3.63Å; E596-R599 PolarHBondContact OE2-NH1 2.68Å; E596-Q600 WeakPolarHBondContact O-CG 3.47Å; E596-Q600 PolarHBondContact O-N 2.89Å
597	V	77.7	Confident	73.6	Confident	51 Å²	51	94.3 Å²	94.3	31%	0.309	44%	0.441	S	S	.	.	H	α-helix	trans	-57.4	-48.8	174.7	175.8	0	0	0	0	110.7	H593 F594 R599 Q600 E601	H593-V597 WeakPolarHBondContact O-CG2 3.47Å; H593-V597 PolarHBondContact O-N 3.41Å; F594-V597 PolarHBondContact O-N 3.07Å; V597-R599 VanDerWaalsContact C-N 3.3Å; V597-R599 PolarHBondContact O-N 3.42Å; V597-Q600 WeakPolarHBondContact O-CB 3.26Å; V597-Q600 PolarHBondContact O-N 2.87Å; V597-Q600 VanDerWaalsContact O-N 3.11Å; V597-E601 PolarHBondContact O-N 3.36Å
598	L	71.2	Confident	72.6	Confident	33 Å²	33	96.5 Å²	96.5	17%	0.173	45%	0.451	C	S	.	.	H	α-helix	trans	-62.6	-33.4	175.7	-73.2	174.4	0	0	0	113.5	F594 E596 Q600 E601 H602	F594-L598 HydrophobicContact CD1-CD1 3.67Å; F594-L598 HydrophobicContact CD1-CG 4.29Å; F594-L598 HydrophobicContact CE1-CD1 3.39Å; F594-L598 HydrophobicContact CE1-CG 4.05Å; F594-L598 HydrophobicContact CE2-CD2 4.47Å; F594-L598 HydrophobicContact CE2-CG 4.34Å; F594-L598 HydrophobicContact CG-CD1 4.38Å; F594-L598 HydrophobicContact CZ-CD1 3.86Å; F594-L598 HydrophobicContact CZ-CD2 4.12Å; F594-L598 HydrophobicContact CZ-CG 4.06Å; F594-L598 WeakPolarHBondContact O-CB 3.33Å; F594-L598 VanDerWaalsContact O-CG 3.29Å; F594-L598 WeakPolarHBondContact O-CG 3.43Å; F594-L598 PolarHBondContact O-N 3.01Å; E596-L598 PolarHBondContact O-N 3.36Å; L598-Q600 VanDerWaalsContact C-N 3.32Å; L598-E601 WeakPolarHBondContact CD2-OE2 3.44Å; L598-E601 PolarHBondContact O-N 3.21Å; L598-H602 VanDerWaalsContact O-CB 3.3Å; L598-H602 WeakPolarHBondContact O-CB 3.46Å; L598-H602 PolarHBondContact O-N 3.28Å
599	R	72	Confident	71.3	Confident	135 Å²	135	93.7 Å²	93.7	51%	0.509	44%	0.438	S	S	.	.	H	α-helix	trans	-68.6	-35.7	175.4	-116.6	-175.9	-82.1	120.5	-0.5	111.1	R595 E596 V597 K603	R595-R599 WeakPolarHBondContact O-CB 3.43Å; R595-R599 PolarHBondContact O-N 3.38Å; E596-R599 WeakPolarHBondContact O-CB 3.5Å; E596-R599 PolarHBondContact O-N 3.37Å; E596-R599 VanDerWaalsContact O-N 3.11Å; E596-R599 IonicContact OE2-CZ 4Å; E596-R599 IonicContact OE2-NH1 3.63Å; E596-R599 PolarHBondContact OE2-NH1 2.68Å; V597-R599 VanDerWaalsContact C-N 3.3Å; V597-R599 PolarHBondContact O-N 3.42Å; R599-K603 WeakPolarHBondContact O-CG 3.32Å; R599-K603 PolarHBondContact O-N 3.2Å
600	Q	74.7	Confident	70.2	Confident	103 Å²	103	94 Å²	94	48%	0.481	44%	0.437	S	S	.	.	H	α-helix	trans	-66.8	-46.7	172.5	-66.2	171.6	11	0	0	110.5	E596 V597 L598 H602 K603 L604	E596-Q600 WeakPolarHBondContact O-CG 3.47Å; E596-Q600 PolarHBondContact O-N 2.89Å; V597-Q600 WeakPolarHBondContact O-CB 3.26Å; V597-Q600 PolarHBondContact O-N 2.87Å; V597-Q600 VanDerWaalsContact O-N 3.11Å; L598-Q600 VanDerWaalsContact C-N 3.32Å; Q600-H602 PolarHBondContact O-N 3.02Å; Q600-K603 WeakPolarHBondContact O-CB 3.22Å; Q600-K603 PolarHBondContact O-N 2.86Å; Q600-K603 VanDerWaalsContact O-N 3.13Å; Q600-L604 WeakPolarHBondContact O-CG 3.49Å; Q600-L604 PolarHBondContact O-N 2.75Å; Q600-L604 VanDerWaalsContact O-N 3.16Å
601	E	73.3	Confident	69.3	Low	104 Å²	104	97 Å²	97	49%	0.486	45%	0.448	S	S	.	.	H	α-helix	trans	-58.9	-44.7	173.4	-72.4	-178.2	170.4	0	0	112	V597 L598 K603 L604 L605	V597-E601 PolarHBondContact O-N 3.36Å; L598-E601 WeakPolarHBondContact CD2-OE2 3.44Å; L598-E601 PolarHBondContact O-N 3.21Å; E601-K603 VanDerWaalsContact C-N 3.31Å; E601-K603 PolarHBondContact O-N 3.43Å; E601-L604 CarbonylContact O-C 3.47Å; E601-L604 WeakPolarHBondContact O-CA 3.37Å; E601-L604 WeakPolarHBondContact O-CB 3.4Å; E601-L604 PolarHBondContact O-N 3.06Å; E601-L604 VanDerWaalsContact O-N 3.11Å; E601-L605 WeakPolarHBondContact O-CB 3.44Å; E601-L605 PolarHBondContact O-N 3.29Å
602	H	67.8	Low	68.3	Low	75 Å²	75	99.4 Å²	99.4	35%	0.347	46%	0.461	S	S	.	.	H	α-helix	trans	-65.5	-31.4	176.2	-174.8	-62.2	0	0	0	112.2	L598 Q600 L604 K606	L598-H602 VanDerWaalsContact O-CB 3.3Å; L598-H602 WeakPolarHBondContact O-CB 3.46Å; L598-H602 PolarHBondContact O-N 3.28Å; Q600-H602 PolarHBondContact O-N 3.02Å; H602-L604 VanDerWaalsContact C-N 3.29Å; H602-K606 WeakPolarHBondContact O-CA 3.44Å; H602-K606 WeakPolarHBondContact O-CB 3.34Å; H602-K606 PolarHBondContact O-N 3.19Å
603	K	72.8	Confident	67.4	Low	144 Å²	144	98.1 Å²	98.1	63%	0.626	46%	0.463	S	S	*	.	H	α-helix	trans	-63	-40.5	172.3	-79.6	174.6	-179.2	177	0	110.9	R599 Q600 E601 Q607	R599-K603 WeakPolarHBondContact O-CG 3.32Å; R599-K603 PolarHBondContact O-N 3.2Å; Q600-K603 WeakPolarHBondContact O-CB 3.22Å; Q600-K603 PolarHBondContact O-N 2.86Å; Q600-K603 VanDerWaalsContact O-N 3.13Å; E601-K603 VanDerWaalsContact C-N 3.31Å; E601-K603 PolarHBondContact O-N 3.43Å; K603-Q607 PolarHBondContact O-N 3.26Å
604	L	71.2	Confident	66.7	Low	106 Å²	106	100.2 Å²	100.2	56%	0.555	47%	0.47	S	S	*	.	H	α-helix	trans	-66.5	-50	174.7	-61.6	167.3	0	0	0	110.6	Q600 E601 H602 K606 Q607 E608	Q600-L604 WeakPolarHBondContact O-CG 3.49Å; Q600-L604 PolarHBondContact O-N 2.75Å; Q600-L604 VanDerWaalsContact O-N 3.16Å; E601-L604 CarbonylContact O-C 3.47Å; E601-L604 WeakPolarHBondContact O-CA 3.37Å; E601-L604 WeakPolarHBondContact O-CB 3.4Å; E601-L604 PolarHBondContact O-N 3.06Å; E601-L604 VanDerWaalsContact O-N 3.11Å; H602-L604 VanDerWaalsContact C-N 3.29Å; L604-K606 VanDerWaalsContact C-N 3.28Å; L604-K606 PolarHBondContact O-N 2.76Å; L604-Q607 VanDerWaalsContact O-CB 3.3Å; L604-Q607 WeakPolarHBondContact O-CB 3.48Å; L604-Q607 PolarHBondContact O-N 2.77Å; L604-E608 PolarHBondContact O-N 3.43Å
605	L	60.6	Low	66.4	Low	80 Å²	80	103.1 Å²	103.1	42%	0.419	49%	0.485	S	S	.	.	H	α-helix	trans	-63	-31.7	176.9	-123.3	143.4	0	0	0	112.3	E601 Q607 E608 M609	E601-L605 WeakPolarHBondContact O-CB 3.44Å; E601-L605 PolarHBondContact O-N 3.29Å; L605-Q607 VanDerWaalsContact C-N 3.31Å; L605-Q607 PolarHBondContact O-N 3.46Å; L605-E608 CarbonylContact O-C 3.37Å; L605-E608 WeakPolarHBondContact O-CA 2.91Å; L605-E608 WeakPolarHBondContact O-CB 3.23Å; L605-E608 PolarHBondContact O-N 2.99Å; L605-M609 HydrophobicContact CD2-CG 3.85Å; L605-M609 HydrophobicContact CD2-SD 4.41Å; L605-M609 WeakPolarHBondContact O-CB 3.18Å; L605-M609 VanDerWaalsContact O-CG 3.25Å; L605-M609 WeakPolarHBondContact O-CG 3.46Å; L605-M609 PolarHBondContact O-N 3.31Å
606	K	64	Low	66.3	Low	127 Å²	127	104.3 Å²	104.3	55%	0.552	50%	0.496	S	S	*	.	H	α-helix	trans	-65.2	-35.3	174.3	-177.1	178.4	177.2	-176.5	0	111.5	H602 L604 E608 M609 D610	H602-K606 WeakPolarHBondContact O-CA 3.44Å; H602-K606 WeakPolarHBondContact O-CB 3.34Å; H602-K606 PolarHBondContact O-N 3.19Å; L604-K606 VanDerWaalsContact C-N 3.28Å; L604-K606 PolarHBondContact O-N 2.76Å; K606-E608 PolarHBondContact O-N 3.29Å; K606-M609 PolarHBondContact O-N 3.48Å; K606-D610 PolarHBondContact O-N 3.27Å
607	Q	61.6	Low	65.8	Low	143 Å²	143	105.1 Å²	105.1	67%	0.668	50%	0.496	S	S	*	.	H	α-helix	trans	-62.8	-30	169	-70.9	178.5	-37.9	0	0	111.3	K603 L604 L605	K603-Q607 PolarHBondContact O-N 3.26Å; L604-Q607 VanDerWaalsContact O-CB 3.3Å; L604-Q607 WeakPolarHBondContact O-CB 3.48Å; L604-Q607 PolarHBondContact O-N 2.77Å; L605-Q607 VanDerWaalsContact C-N 3.31Å; L605-Q607 PolarHBondContact O-N 3.46Å
608	E	60.3	Low	65.5	Low	131 Å²	131	111 Å²	111	61%	0.612	52%	0.517	S	S	*	.	H	α-helix	trans	-82.6	-34.3	175.4	-59.3	177.1	165.4	0	0	113.2	L604 L605 K606 D610	L604-E608 PolarHBondContact O-N 3.43Å; L605-E608 CarbonylContact O-C 3.37Å; L605-E608 WeakPolarHBondContact O-CA 2.91Å; L605-E608 WeakPolarHBondContact O-CB 3.23Å; L605-E608 PolarHBondContact O-N 2.99Å; K606-E608 PolarHBondContact O-N 3.29Å; E608-D610 VanDerWaalsContact C-N 3.32Å; E608-D610 PolarHBondContact O-N 2.96Å
609	M	52.3	Low	65.7	Low	14 Å²	14	113.2 Å²	113.2	7%	0.069	53%	0.527	C	S	.	.	H	α-helix	trans	-79.1	-6.2	-176.3	-70.7	-157.9	79.9	0	0	114.1	L605 K606 F611 L612 R617 L620	L605-M609 HydrophobicContact CD2-CG 3.85Å; L605-M609 HydrophobicContact CD2-SD 4.41Å; L605-M609 WeakPolarHBondContact O-CB 3.18Å; L605-M609 VanDerWaalsContact O-CG 3.25Å; L605-M609 WeakPolarHBondContact O-CG 3.46Å; L605-M609 PolarHBondContact O-N 3.31Å; K606-M609 PolarHBondContact O-N 3.48Å; M609-F611 PolarHBondContact O-N 3.48Å; M609-L612 HydrophobicContact CB-CD1 4.39Å; M609-L612 HydrophobicContact CE-CB 4.12Å; M609-L612 HydrophobicContact CE-CD1 3.68Å; M609-L612 HydrophobicContact CG-CD1 3.97Å; M609-L612 PolarHBondContact O-N 3.5Å; M609-R617 HydrophobicContact CE-CG 3.63Å; M609-R617 HydrophobicContact SD-CG 4.37Å; M609-L620 HydrophobicContact SD-CD2 4.13Å
610	D	59.3	Low	65.7	Low	102 Å²	102	110.6 Å²	110.6	55%	0.545	52%	0.522	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-13.6	169.4	-84.2	-23.1	0	0	0	112.2	K606 E608 R617	K606-D610 PolarHBondContact O-N 3.27Å; E608-D610 VanDerWaalsContact C-N 3.32Å; E608-D610 PolarHBondContact O-N 2.96Å; D610-R617 IonicContact OD1-NH1 3.65Å
611	F	59.9	Low	65.4	Low	185 Å²	185	113.5 Å²	113.5	81%	0.811	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	2.2	171.8	-60.5	-77.3	0	0	0	115.5	M609	M609-F611 PolarHBondContact O-N 3.48Å
612	L	54	Low	65.6	Low	77 Å²	77	113.6 Å²	113.6	40%	0.403	53%	0.529	S	S	.	.	S	Bend	trans	-104.4	143.7	-178.7	-81.5	160.6	0	0	0	113.4	M609 R617	M609-L612 HydrophobicContact CB-CD1 4.39Å; M609-L612 HydrophobicContact CE-CB 4.12Å; M609-L612 HydrophobicContact CE-CD1 3.68Å; M609-L612 HydrophobicContact CG-CD1 3.97Å; M609-L612 PolarHBondContact O-N 3.5Å; L612-R617 PolarHBondContact O-NE 3.47Å; L612-R617 PolarHBondContact O-NH2 3.08Å
613	P	60.1	Low	66	Low	76 Å²	76	114.7 Å²	114.7	49%	0.494	53%	0.534	S	S	.	.			trans	-53.3	142.9	-180	-25.1	33.8	0	0	0	113.1	Q615 D616	P613-Q615 PolarHBondContact O-N 2.97Å; P613-D616 PolarHBondContact O-N 2.97Å
614	K	65.3	Low	65.8	Low	179 Å²	179	114 Å²	114	78%	0.778	53%	0.528	S	S	*	.	H	α-helix	trans	-56.6	-23.2	-177.5	-82.3	-177.6	175.9	176.6	0	114.2
615	Q	68	Low	65.9	Low	166 Å²	166	115 Å²	115	78%	0.776	53%	0.528	S	S	*	.	H	α-helix	trans	-70.9	-42.4	179.4	-83.9	174.5	-24.9	0	0	112.5	P613 R617 K618 E619	P613-Q615 PolarHBondContact O-N 2.97Å; Q615-R617 VanDerWaalsContact C-N 3.33Å; Q615-R617 PolarHBondContact O-N 3.21Å; Q615-K618 PolarHBondContact O-N 3.28Å; Q615-E619 PolarHBondContact O-N 3Å
616	D	70.3	Confident	66.7	Low	83 Å²	83	115.8 Å²	115.8	44%	0.444	53%	0.529	S	S	.	.	H	α-helix	trans	-69.3	-31.9	-176.9	-56.7	-32.1	0	0	0	112.5	P613 K618 E619 L620	P613-D616 PolarHBondContact O-N 2.97Å; D616-K618 VanDerWaalsContact C-N 3.32Å; D616-K618 PolarHBondContact O-N 3.02Å; D616-E619 PolarHBondContact O-N 3.17Å; D616-L620 PolarHBondContact O-N 2.97Å
617	R	64.9	Low	67.2	Low	93 Å²	93	114 Å²	114	35%	0.351	53%	0.525	S	S	.	.	H	α-helix	trans	-62.5	-36.2	177.4	-75	-173.5	-102.9	-169.3	-11.1	113.1	M609 D610 L612 Q615	M609-R617 HydrophobicContact CE-CG 3.63Å; M609-R617 HydrophobicContact SD-CG 4.37Å; D610-R617 IonicContact OD1-NH1 3.65Å; L612-R617 PolarHBondContact O-NE 3.47Å; L612-R617 PolarHBondContact O-NH2 3.08Å; Q615-R617 VanDerWaalsContact C-N 3.33Å; Q615-R617 PolarHBondContact O-N 3.21Å
618	K	72.7	Confident	67.2	Low	174 Å²	174	109.6 Å²	109.6	76%	0.757	51%	0.506	S	S	*	.	H	α-helix	trans	-74.6	-37.2	179.5	-168.4	178.2	179.2	-176.6	0	111.1	Q615 D616 K622	Q615-K618 PolarHBondContact O-N 3.28Å; D616-K618 VanDerWaalsContact C-N 3.32Å; D616-K618 PolarHBondContact O-N 3.02Å; K618-K622 WeakPolarHBondContact O-CB 3.48Å; K618-K622 PolarHBondContact O-N 3.47Å; K618-K622 VanDerWaalsContact O-N 3.16Å
619	E	75.1	Confident	67.8	Low	81 Å²	81	106.2 Å²	106.2	38%	0.379	49%	0.492	S	S	.	.	H	α-helix	trans	-72.1	-43.1	-179.2	-171.1	56.8	-150.2	0	0	112	Q615 D616 Y621 K622 Q623	Q615-E619 PolarHBondContact O-N 3Å; D616-E619 PolarHBondContact O-N 3.17Å; E619-Y621 VanDerWaalsContact C-N 3.33Å; E619-Y621 PolarHBondContact O-N 3.4Å; E619-K622 WeakPolarHBondContact O-CB 3.49Å; E619-K622 PolarHBondContact O-N 3.33Å; E619-Q623 WeakPolarHBondContact O-CG 3.47Å; E619-Q623 PolarHBondContact O-N 2.87Å; E619-Q623 PolarHBondContact OE1-NE2 3.31Å
620	L	71.3	Confident	69	Low	79 Å²	79	108.1 Å²	108.1	41%	0.414	51%	0.51	S	S	.	.	H	α-helix	trans	-61.5	-41.1	177.8	-159.2	86.5	0	0	0	112.3	M609 D616 K622 R624	M609-L620 HydrophobicContact SD-CD2 4.13Å; D616-L620 PolarHBondContact O-N 2.97Å; L620-K622 VanDerWaalsContact C-N 3.35Å; L620-R624 WeakPolarHBondContact O-CB 3.32Å; L620-R624 PolarHBondContact O-N 2.85Å
621	Y	68.8	Low	69.5	Low	165 Å²	165	106.8 Å²	106.8	65%	0.647	50%	0.5	S	S	*	.	H	α-helix	trans	-67.5	-37.7	177.5	-155.4	-86.1	0	0	0	111.7	E619 K625	E619-Y621 VanDerWaalsContact C-N 3.33Å; E619-Y621 PolarHBondContact O-N 3.4Å; Y621-K625 WeakPolarHBondContact O-CB 3.26Å; Y621-K625 PolarHBondContact O-N 2.85Å
622	K	76.9	Confident	69.9	Low	105 Å²	105	102.2 Å²	102.2	46%	0.457	48%	0.482	S	S	.	.	H	α-helix	trans	-64	-51.1	174.5	-178.8	-174.5	164.9	-157.9	0	110.9	K618 E619 L620 R624 K625 E626	K618-K622 WeakPolarHBondContact O-CB 3.48Å; K618-K622 PolarHBondContact O-N 3.47Å; K618-K622 VanDerWaalsContact O-N 3.16Å; E619-K622 WeakPolarHBondContact O-CB 3.49Å; E619-K622 PolarHBondContact O-N 3.33Å; L620-K622 VanDerWaalsContact C-N 3.35Å; K622-R624 VanDerWaalsContact C-N 3.29Å; K622-R624 PolarHBondContact O-N 3.09Å; K622-K625 PolarHBondContact O-N 3.42Å; K622-E626 WeakPolarHBondContact CE-OE1 3.23Å; K622-E626 HydrophobicContact CG-CG 4.47Å; K622-E626 WeakPolarHBondContact CG-OE1 3.34Å; K622-E626 IonicContact NZ-OE1 2.93Å; K622-E626 WeakPolarHBondContact O-CB 3.32Å; K622-E626 WeakPolarHBondContact O-CG 3.34Å; K622-E626 PolarHBondContact O-N 2.87Å
623	Q	75.5	Confident	70.9	Confident	98 Å²	98	104.5 Å²	104.5	46%	0.458	49%	0.49	S	S	.	.	H	α-helix	trans	-57.4	-40.6	176.5	-71.7	175.1	8.9	0	0	112.4	E619 E626 L627	E619-Q623 WeakPolarHBondContact O-CG 3.47Å; E619-Q623 PolarHBondContact O-N 2.87Å; E619-Q623 PolarHBondContact OE1-NE2 3.31Å; Q623-E626 PolarHBondContact O-N 3.26Å; Q623-L627 WeakPolarHBondContact O-CB 3.45Å; Q623-L627 PolarHBondContact O-N 3.44Å
624	R	68.6	Low	71.8	Confident	131 Å²	131	103.2 Å²	103.2	49%	0.494	49%	0.485	S	S	.	.	H	α-helix	trans	-70.6	-36.5	179.3	-152.6	77.1	-176.1	-163.9	5.1	112.8	L620 K622 L628	L620-R624 WeakPolarHBondContact O-CB 3.32Å; L620-R624 PolarHBondContact O-N 2.85Å; K622-R624 VanDerWaalsContact C-N 3.29Å; K622-R624 PolarHBondContact O-N 3.09Å; R624-L628 PolarHBondContact O-N 2.85Å
625	K	73.7	Confident	72.3	Confident	127 Å²	127	96.6 Å²	96.6	55%	0.552	46%	0.457	S	S	*	.	H	α-helix	trans	-67.4	-42.9	172.4	-174	-176	174.7	-170.8	0	111	Y621 K622 L627 L628 D629	Y621-K625 WeakPolarHBondContact O-CB 3.26Å; Y621-K625 PolarHBondContact O-N 2.85Å; K622-K625 PolarHBondContact O-N 3.42Å; K625-L627 PolarHBondContact O-N 2.84Å; K625-L628 VanDerWaalsContact O-CB 3.22Å; K625-L628 WeakPolarHBondContact O-CB 3.44Å; K625-L628 PolarHBondContact O-N 3.26Å; K625-L628 VanDerWaalsContact O-N 3.1Å; K625-D629 PolarHBondContact O-N 3.03Å
626	E	78.3	Confident	72.7	Confident	95 Å²	95	90.9 Å²	90.9	44%	0.444	44%	0.438	S	S	.	.	H	α-helix	trans	-62.4	-39.7	176.6	-74.1	172.3	173.2	0	0	112.1	K622 Q623 L628 D629 A630	K622-E626 WeakPolarHBondContact CE-OE1 3.23Å; K622-E626 HydrophobicContact CG-CG 4.47Å; K622-E626 WeakPolarHBondContact CG-OE1 3.34Å; K622-E626 IonicContact NZ-OE1 2.93Å; K622-E626 WeakPolarHBondContact O-CB 3.32Å; K622-E626 WeakPolarHBondContact O-CG 3.34Å; K622-E626 PolarHBondContact O-N 2.87Å; Q623-E626 PolarHBondContact O-N 3.26Å; E626-L628 VanDerWaalsContact C-N 3.28Å; E626-L628 PolarHBondContact O-N 3.27Å; E626-D629 PolarHBondContact O-N 2.99Å; E626-A630 WeakPolarHBondContact O-CB 3.42Å; E626-A630 PolarHBondContact O-N 3.43Å
627	L	74.8	Confident	73.3	Confident	89 Å²	89	91.1 Å²	91.1	47%	0.466	44%	0.439	S	S	.	.	H	α-helix	trans	-62.1	-36	172.9	-175.8	65.5	0	0	0	112.4	Q623 K625 Q631	Q623-L627 WeakPolarHBondContact O-CB 3.45Å; Q623-L627 PolarHBondContact O-N 3.44Å; K625-L627 PolarHBondContact O-N 2.84Å; L627-Q631 PolarHBondContact O-N 3.47Å
628	L	60.5	Low	74.1	Confident	51 Å²	51	90.3 Å²	90.3	27%	0.267	45%	0.445	S	S	.	.	H	α-helix	trans	-68.6	-47.9	178.2	-159.4	86.5	0	0	0	111.9	R595 R624 K625 E626 A630 Q631 Q632	R595-L628 HydrophobicContact CG-CD1 4.11Å; R595-L628 VanDerWaalsContact CZ-CD1 3.5Å; R595-L628 VanDerWaalsContact NE-CD1 3.29Å; R624-L628 PolarHBondContact O-N 2.85Å; K625-L628 VanDerWaalsContact O-CB 3.22Å; K625-L628 WeakPolarHBondContact O-CB 3.44Å; K625-L628 PolarHBondContact O-N 3.26Å; K625-L628 VanDerWaalsContact O-N 3.1Å; E626-L628 VanDerWaalsContact C-N 3.28Å; E626-L628 PolarHBondContact O-N 3.27Å; L628-A630 VanDerWaalsContact C-N 3.27Å; L628-Q631 PolarHBondContact O-N 3.36Å; L628-Q632 PolarHBondContact O-N 2.87Å
629	D	72.7	Confident	74.6	Confident	61 Å²	61	84.2 Å²	84.2	33%	0.326	42%	0.42	S	S	.	.	H	α-helix	trans	-64.2	-38.2	177	-66.6	-18.9	0	0	0	109.2	K625 E626 Q632 H633	K625-D629 PolarHBondContact O-N 3.03Å; E626-D629 PolarHBondContact O-N 2.99Å; D629-Q632 PolarHBondContact O-N 3.22Å; D629-H633 VanDerWaalsContact O-CB 3.3Å; D629-H633 WeakPolarHBondContact O-CB 3.36Å; D629-H633 PolarHBondContact O-CD2 3.23Å; D629-H633 PolarHBondContact O-N 3.19Å
630	A	77.3	Confident	75.1	Confident	54 Å²	54	84.8 Å²	84.8	45%	0.446	43%	0.425	S	S	.	.	H	α-helix	trans	-64.2	-41	173.9	0	0	0	0	0	113.4	E626 L628 H633 A634	E626-A630 WeakPolarHBondContact O-CB 3.42Å; E626-A630 PolarHBondContact O-N 3.43Å; L628-A630 VanDerWaalsContact C-N 3.27Å; A630-H633 PolarHBondContact O-N 3.27Å; A630-A634 WeakPolarHBondContact O-CB 3.4Å; A630-A634 PolarHBondContact O-N 2.96Å
631	Q	70.3	Confident	75.7	Confident	73 Å²	73	89.2 Å²	89.2	34%	0.341	44%	0.437	S	S	.	.	H	α-helix	trans	-69.1	-40.7	176.1	-84	-178.9	-27.4	0	0	112.5	L627 L628 H633 A634 H635	L627-Q631 PolarHBondContact O-N 3.47Å; L628-Q631 PolarHBondContact O-N 3.36Å; Q631-H633 VanDerWaalsContact C-N 3.34Å; Q631-A634 WeakPolarHBondContact O-CB 3.49Å; Q631-A634 PolarHBondContact O-N 3.21Å; Q631-A634 VanDerWaalsContact O-N 3.17Å; Q631-H635 PolarHBondContact O-CD2 2.87Å; Q631-H635 PolarHBondContact O-N 2.93Å
632	Q	69.2	Low	76.6	Confident	90 Å²	90	83.8 Å²	83.8	42%	0.421	42%	0.419	S	S	.	.	H	α-helix	trans	-64	-40.6	173.5	-73.2	-174.7	-23.1	0	0	111.6	L628 D629 A634 H635 A636	L628-Q632 PolarHBondContact O-N 2.87Å; D629-Q632 PolarHBondContact O-N 3.22Å; Q632-A634 VanDerWaalsContact C-N 3.32Å; Q632-A634 PolarHBondContact O-N 2.9Å; Q632-H635 PolarHBondContact O-N 2.86Å; Q632-A636 PolarHBondContact O-N 3.36Å; Q632-A636 VanDerWaalsContact O-N 3.15Å
633	H	74.4	Confident	77.1	Confident	125 Å²	125	81 Å²	81	58%	0.579	41%	0.409	S	S	*	.	H	α-helix	trans	-62.4	-37	171.3	-71.9	-21.3	0	0	0	112.3	D629 A630 Q631 A636 L637	D629-H633 VanDerWaalsContact O-CB 3.3Å; D629-H633 WeakPolarHBondContact O-CB 3.36Å; D629-H633 PolarHBondContact O-CD2 3.23Å; D629-H633 PolarHBondContact O-N 3.19Å; A630-H633 PolarHBondContact O-N 3.27Å; Q631-H633 VanDerWaalsContact C-N 3.34Å; H633-A636 PolarHBondContact O-N 3.06Å; H633-L637 WeakPolarHBondContact O-CB 3.43Å; H633-L637 WeakPolarHBondContact O-CG 3.37Å; H633-L637 PolarHBondContact O-N 2.95Å
634	A	78.5	Confident	77.6	Confident	48 Å²	48	79.7 Å²	79.7	40%	0.397	41%	0.405	S	S	.	.	H	α-helix	trans	-64.1	-41.9	175.8	0	0	0	0	0	113.1	A630 Q631 Q632 L637 T638	A630-A634 WeakPolarHBondContact O-CB 3.4Å; A630-A634 PolarHBondContact O-N 2.96Å; Q631-A634 WeakPolarHBondContact O-CB 3.49Å; Q631-A634 PolarHBondContact O-N 3.21Å; Q631-A634 VanDerWaalsContact O-N 3.17Å; Q632-A634 VanDerWaalsContact C-N 3.32Å; Q632-A634 PolarHBondContact O-N 2.9Å; A634-L637 PolarHBondContact O-N 2.91Å; A634-T638 PolarHBondContact O-N 3Å; A634-T638 PolarHBondContact O-OG1 2.91Å; A634-T638 VanDerWaalsContact O-OG1 3.05Å
635	H	76.6	Confident	78.6	Confident	41 Å²	41	76.5 Å²	76.5	19%	0.19	40%	0.403	C	S	.	.	H	α-helix	trans	-64.1	-42.1	175.1	-67.2	-60.3	0	0	0	112.1	L584 E587 L591 Q631 Q632 T638 L639	L584-H635 HydrophobicContact CD2-CB 4.02Å; L584-H635 WeakPolarHBondContact CD2-ND1 3.18Å; E587-H635 IonicContact OE2-CE1 2.63Å; E587-H635 PolarHBondContact OE2-CE1 3.37Å; E587-H635 IonicContact OE2-ND1 3.2Å; E587-H635 PolarHBondContact OE2-ND1 3.49Å; L591-H635 WeakPolarHBondContact CD1-NE2 3.33Å; Q631-H635 PolarHBondContact O-CD2 2.87Å; Q631-H635 PolarHBondContact O-N 2.93Å; Q632-H635 PolarHBondContact O-N 2.86Å; H635-T638 PolarHBondContact O-N 2.87Å; H635-L639 PolarHBondContact O-N 3.32Å
636	A	77.1	Confident	79.4	Confident	45 Å²	45	71.2 Å²	71.2	37%	0.372	38%	0.38	S	S	.	.	H	α-helix	trans	-63.7	-41.2	175.5	0	0	0	0	0	112.1	Q632 H633 T638 L639 N640	Q632-A636 PolarHBondContact O-N 3.36Å; Q632-A636 VanDerWaalsContact O-N 3.15Å; H633-A636 PolarHBondContact O-N 3.06Å; A636-T638 VanDerWaalsContact C-N 3.32Å; A636-T638 PolarHBondContact O-N 3.43Å; A636-L639 PolarHBondContact O-N 3.29Å; A636-N640 WeakPolarHBondContact O-CB 2.95Å; A636-N640 PolarHBondContact O-N 2.86Å; A636-N640 PolarHBondContact O-ND2 3.36Å
637	L	81.8	Confident	79.8	Confident	89 Å²	89	71.5 Å²	71.5	47%	0.466	38%	0.377	S	S	.	.	H	α-helix	trans	-62.7	-36.7	175.8	-74	167.9	0	0	0	112.3	H633 A634 R641	H633-L637 WeakPolarHBondContact O-CB 3.43Å; H633-L637 WeakPolarHBondContact O-CG 3.37Å; H633-L637 PolarHBondContact O-N 2.95Å; A634-L637 PolarHBondContact O-N 2.91Å; L637-R641 WeakPolarHBondContact O-CB 3.39Å; L637-R641 WeakPolarHBondContact O-CG 3.49Å; L637-R641 PolarHBondContact O-N 3.49Å
638	T	82.3	Confident	80.4	Confident	76 Å²	76	73 Å²	73	47%	0.466	38%	0.381	S	S	.	.	H	α-helix	trans	-65.9	-43.7	177.3	-58.8	0	0	0	0	112	A634 H635 A636 R641 L642	A634-T638 PolarHBondContact O-N 3Å; A634-T638 PolarHBondContact O-OG1 2.91Å; A634-T638 VanDerWaalsContact O-OG1 3.05Å; H635-T638 PolarHBondContact O-N 2.87Å; A636-T638 VanDerWaalsContact C-N 3.32Å; A636-T638 PolarHBondContact O-N 3.43Å; T638-R641 PolarHBondContact O-N 2.99Å; T638-L642 PolarHBondContact O-N 3.33Å; T638-L642 VanDerWaalsContact O-N 3.14Å
639	L	83.4	Confident	81.9	Confident	45 Å²	45	76.2 Å²	76.2	24%	0.236	39%	0.393	C	S	.	.	H	α-helix	trans	-65.1	-43.1	175.2	-74.1	175.8	0	0	0	112.1	M577 A580 L584 H635 A636 R641 L642 D643	M577-L639 HydrophobicContact CE-CD2 4.07Å; A580-L639 HydrophobicContact CB-CD2 4.07Å; L584-L639 HydrophobicContact CD1-CD1 3.66Å; L584-L639 HydrophobicContact CD1-CD2 3.49Å; L584-L639 VanDerWaalsContact CD1-CD2 3.49Å; L584-L639 HydrophobicContact CD1-CG 3.31Å; H635-L639 PolarHBondContact O-N 3.32Å; A636-L639 PolarHBondContact O-N 3.29Å; L639-R641 VanDerWaalsContact C-N 3.34Å; L639-R641 PolarHBondContact O-N 3.5Å; L639-L642 PolarHBondContact O-N 3.27Å; L639-D643 PolarHBondContact O-N 3Å
640	N	84.4	Confident	82.8	Confident	93 Å²	93	73.5 Å²	73.5	50%	0.497	38%	0.379	S	S	.	.	H	α-helix	trans	-62.4	-42.2	178	-69.2	-14.4	0	0	0	111.4	A636 L642 D643 D644	A636-N640 WeakPolarHBondContact O-CB 2.95Å; A636-N640 PolarHBondContact O-N 2.86Å; A636-N640 PolarHBondContact O-ND2 3.36Å; N640-L642 VanDerWaalsContact C-N 3.3Å; N640-L642 PolarHBondContact O-N 3.43Å; N640-D643 PolarHBondContact O-N 3.48Å; N640-D644 WeakPolarHBondContact O-CB 3.44Å; N640-D644 PolarHBondContact O-N 3.01Å
641	R	85.5	Confident	83.4	Confident	172 Å²	172	72.6 Å²	72.6	65%	0.649	37%	0.368	S	S	*	.	H	α-helix	trans	-60.8	-38.4	175.1	-75.8	172	-177.4	176.2	1.6	112.8	L637 T638 L639 S645	L637-R641 WeakPolarHBondContact O-CB 3.39Å; L637-R641 WeakPolarHBondContact O-CG 3.49Å; L637-R641 PolarHBondContact O-N 3.49Å; T638-R641 PolarHBondContact O-N 2.99Å; L639-R641 VanDerWaalsContact C-N 3.34Å; L639-R641 PolarHBondContact O-N 3.5Å; R641-S645 WeakPolarHBondContact O-CB 3.3Å; R641-S645 PolarHBondContact O-N 2.96Å
642	L	87.5	Confident	84.4	Confident	51 Å²	51	73.9 Å²	73.9	27%	0.267	38%	0.376	S	S	.	.	H	α-helix	trans	-69.4	-44.6	177.2	-173.5	63.2	0	0	0	111.1	M577 A580 T638 L639 N640 S645 H646	M577-L642 HydrophobicContact SD-CB 4.3Å; M577-L642 HydrophobicContact SD-CD2 3.72Å; M577-L642 HydrophobicContact SD-CG 3.98Å; A580-L642 HydrophobicContact CB-CD2 3.64Å; T638-L642 PolarHBondContact O-N 3.33Å; T638-L642 VanDerWaalsContact O-N 3.14Å; L639-L642 PolarHBondContact O-N 3.27Å; N640-L642 VanDerWaalsContact C-N 3.3Å; N640-L642 PolarHBondContact O-N 3.43Å; L642-S645 PolarHBondContact O-N 3.06Å; L642-H646 WeakPolarHBondContact CD1-NE2 3.32Å; L642-H646 WeakPolarHBondContact O-CB 3.48Å; L642-H646 PolarHBondContact O-CD2 3.28Å; L642-H646 VanDerWaalsContact O-CG 3.24Å; L642-H646 PolarHBondContact O-N 3.5Å
643	D	86.7	Confident	85.6	Confident	48 Å²	48	71.4 Å²	71.4	26%	0.257	37%	0.366	S	S	.	.	H	α-helix	trans	-60.2	-44.5	174.8	-170	63.5	0	0	0	111.6	L639 N640 S645 H646 R647	L639-D643 PolarHBondContact O-N 3Å; N640-D643 PolarHBondContact O-N 3.48Å; D643-S645 PolarHBondContact O-N 3.03Å; D643-H646 WeakPolarHBondContact O-CB 3.45Å; D643-H646 PolarHBondContact O-N 3.19Å; D643-R647 VanDerWaalsContact O-CG 3.3Å; D643-R647 WeakPolarHBondContact O-CG 3.41Å; D643-R647 PolarHBondContact O-N 3.07Å; D643-R647 IonicContact OD1-NE 3.49Å; D643-R647 IonicContact OD1-NH2 3.83Å; D643-R647 IonicContact OD2-CZ 2.98Å; D643-R647 VanDerWaalsContact OD2-CZ 3.25Å; D643-R647 IonicContact OD2-NE 2.73Å; D643-R647 PolarHBondContact OD2-NE 3.12Å; D643-R647 IonicContact OD2-NH2 3.98Å; D643-R647 PolarHBondContact OD2-NH2 2.99Å
644	D	86.2	Confident	86.4	Confident	69 Å²	69	66.6 Å²	66.6	37%	0.369	34%	0.344	S	S	.	.	H	α-helix	trans	-60.5	-44.3	175.4	-70.2	-24.7	0	0	0	111.3	N640 H646 R647 Q648	N640-D644 WeakPolarHBondContact O-CB 3.44Å; N640-D644 PolarHBondContact O-N 3.01Å; D644-H646 VanDerWaalsContact C-N 3.33Å; D644-H646 PolarHBondContact O-N 3.18Å; D644-R647 PolarHBondContact O-N 3.4Å; D644-Q648 WeakPolarHBondContact O-CB 3.07Å; D644-Q648 VanDerWaalsContact O-CG 3.25Å; D644-Q648 WeakPolarHBondContact O-CG 3.03Å; D644-Q648 PolarHBondContact O-N 3.47Å
645	S	89.1	Confident	87.1	Confident	65 Å²	65	69.9 Å²	69.9	46%	0.455	35%	0.346	S	S	.	.	H	α-helix	trans	-63.1	-39.2	175.9	-176	0	0	0	0	112.1	R641 L642 D643 K649	R641-S645 WeakPolarHBondContact O-CB 3.3Å; R641-S645 PolarHBondContact O-N 2.96Å; L642-S645 PolarHBondContact O-N 3.06Å; D643-S645 PolarHBondContact O-N 3.03Å; S645-K649 PolarHBondContact O-N 3.34Å; S645-K649 VanDerWaalsContact O-N 3.1Å
646	H	90.9	Very high	87.9	Confident	16 Å²	16	72 Å²	72	7%	0.074	36%	0.356	C	S	.	.	H	α-helix	trans	-65.4	-46.8	176.9	-75.8	179.8	0	0	0	111.4	Q573 D576 L642 D643 D644 Q648 K649 I650	Q573-H646 HydrophobicContact CB-CB 4.33Å; Q573-H646 WeakPolarHBondContact CB-ND1 3.37Å; Q573-H646 VanDerWaalsContact CD-CB 3.42Å; Q573-H646 HydrophobicContact CG-CB 3.9Å; Q573-H646 VanDerWaalsContact NE2-CA 3.34Å; Q573-H646 PolarHBondContact NE2-O 2.92Å; Q573-H646 PolarHBondContact O-CE1 3.3Å; D576-H646 IonicContact OD2-NE2 2.74Å; L642-H646 WeakPolarHBondContact CD1-NE2 3.32Å; L642-H646 WeakPolarHBondContact O-CB 3.48Å; L642-H646 PolarHBondContact O-CD2 3.28Å; L642-H646 VanDerWaalsContact O-CG 3.24Å; L642-H646 PolarHBondContact O-N 3.5Å; D643-H646 WeakPolarHBondContact O-CB 3.45Å; D643-H646 PolarHBondContact O-N 3.19Å; D644-H646 VanDerWaalsContact C-N 3.33Å; D644-H646 PolarHBondContact O-N 3.18Å; H646-Q648 PolarHBondContact O-N 3.12Å; H646-K649 PolarHBondContact O-N 3.09Å; H646-I650 PolarHBondContact O-N 3.32Å
647	R	86.5	Confident	88.8	Confident	101 Å²	101	70.4 Å²	70.4	38%	0.381	34%	0.341	S	S	.	.	H	α-helix	trans	-57.9	-49.8	175.1	-72.5	176.8	-168.5	-70.8	-14.4	111.5	D643 D644 K649 I650 T651	D643-R647 VanDerWaalsContact O-CG 3.3Å; D643-R647 WeakPolarHBondContact O-CG 3.41Å; D643-R647 PolarHBondContact O-N 3.07Å; D643-R647 IonicContact OD1-NE 3.49Å; D643-R647 IonicContact OD1-NH2 3.83Å; D643-R647 IonicContact OD2-CZ 2.98Å; D643-R647 VanDerWaalsContact OD2-CZ 3.25Å; D643-R647 IonicContact OD2-NE 2.73Å; D643-R647 PolarHBondContact OD2-NE 3.12Å; D643-R647 IonicContact OD2-NH2 3.98Å; D643-R647 PolarHBondContact OD2-NH2 2.99Å; D644-R647 PolarHBondContact O-N 3.4Å; R647-K649 VanDerWaalsContact C-N 3.26Å; R647-K649 PolarHBondContact O-N 3.06Å; R647-I650 PolarHBondContact O-N 3.14Å; R647-I650 VanDerWaalsContact O-N 3.15Å; R647-T651 PolarHBondContact O-N 3.47Å; R647-T651 PolarHBondContact O-OG1 3.48Å
648	Q	88.6	Confident	89.4	Confident	119 Å²	119	67.5 Å²	67.5	56%	0.556	33%	0.325	S	S	*	.	H	α-helix	trans	-57.1	-39.8	177.8	-73.8	173.3	13.8	0	0	112.2	D644 H646 L652	D644-Q648 WeakPolarHBondContact O-CB 3.07Å; D644-Q648 VanDerWaalsContact O-CG 3.25Å; D644-Q648 WeakPolarHBondContact O-CG 3.03Å; D644-Q648 PolarHBondContact O-N 3.47Å; H646-Q648 PolarHBondContact O-N 3.12Å; Q648-L652 WeakPolarHBondContact O-CB 3.23Å; Q648-L652 PolarHBondContact O-N 3.12Å
649	K	91.1	Very high	90	Very high	119 Å²	119	68 Å²	68	52%	0.517	32%	0.322	S	S	.	.	H	α-helix	trans	-65.6	-42.8	177.2	-170.4	177.2	178.9	-176.7	0	112.3	S645 H646 R647 L652 L653	S645-K649 PolarHBondContact O-N 3.34Å; S645-K649 VanDerWaalsContact O-N 3.1Å; H646-K649 PolarHBondContact O-N 3.09Å; R647-K649 VanDerWaalsContact C-N 3.26Å; R647-K649 PolarHBondContact O-N 3.06Å; K649-L652 PolarHBondContact O-N 2.87Å; K649-L653 HydrophobicContact CG-CD1 4.43Å; K649-L653 WeakPolarHBondContact O-CG 3.19Å; K649-L653 PolarHBondContact O-N 2.99Å
650	I	91.2	Very high	90.5	Very high	5 Å²	5	70 Å²	70	3%	0.026	33%	0.331	C	S	.	.	H	α-helix	trans	-66.6	-45.3	176.2	-64.5	-61.7	0	0	0	111	L566 A569 E570 H646 R647 L652 L653 E654	L566-I650 HydrophobicContact CD1-CG2 4.31Å; A569-I650 HydrophobicContact CB-CD1 3.84Å; E570-I650 HydrophobicContact CG-CD1 3.89Å; H646-I650 PolarHBondContact O-N 3.32Å; R647-I650 PolarHBondContact O-N 3.14Å; R647-I650 VanDerWaalsContact O-N 3.15Å; I650-L652 VanDerWaalsContact C-N 3.28Å; I650-L652 PolarHBondContact O-N 3.42Å; I650-L653 PolarHBondContact O-N 3.26Å; I650-E654 HydrophobicContact CG2-CG 4.35Å; I650-E654 PolarHBondContact O-N 2.98Å
651	T	90	Very high	91.1	Very high	35 Å²	35	68.4 Å²	68.4	22%	0.215	32%	0.319	C	S	.	.	H	α-helix	trans	-56.2	-43	175.5	-57.8	0	0	0	0	111.6	R647 R655 Y859	R647-T651 PolarHBondContact O-N 3.47Å; R647-T651 PolarHBondContact O-OG1 3.48Å; T651-R655 WeakPolarHBondContact O-CB 3.48Å; T651-R655 PolarHBondContact O-N 3.32Å; T651-Y859 HydrophobicContact CG2-CD1 4.13Å; T651-Y859 HydrophobicContact CG2-CD2 3.71Å; T651-Y859 HydrophobicContact CG2-CE2 4.38Å; T651-Y859 HydrophobicContact CG2-CG 3.58Å; T651-Y859 WeakPolarHBondContact OG1-CD1 3.38Å; T651-Y859 WeakPolarHBondContact OG1-CE1 3.43Å; T651-Y859 VanDerWaalsContact OG1-CG 3.29Å
652	L	91.7	Very high	91.6	Very high	99 Å²	99	60.3 Å²	60.3	52%	0.518	29%	0.289	S	S	.	.	H	α-helix	trans	-66.2	-43.4	177.7	-176.4	65	0	0	0	112.2	Q648 K649 I650 R655 Q656	Q648-L652 WeakPolarHBondContact O-CB 3.23Å; Q648-L652 PolarHBondContact O-N 3.12Å; K649-L652 PolarHBondContact O-N 2.87Å; I650-L652 VanDerWaalsContact C-N 3.28Å; I650-L652 PolarHBondContact O-N 3.42Å; L652-R655 PolarHBondContact O-N 2.89Å; L652-Q656 WeakPolarHBondContact O-CG 3.22Å; L652-Q656 PolarHBondContact O-N 3.28Å
653	L	93.1	Very high	92	Very high	38 Å²	38	63.6 Å²	63.6	20%	0.199	30%	0.303	C	S	.	.	H	α-helix	trans	-63	-47.9	177.8	-76.2	170.2	0	0	0	111.8	A569 K649 I650 R655 Q656 F657	A569-L653 HydrophobicContact CB-CD1 3.92Å; K649-L653 HydrophobicContact CG-CD1 4.43Å; K649-L653 WeakPolarHBondContact O-CG 3.19Å; K649-L653 PolarHBondContact O-N 2.99Å; I650-L653 PolarHBondContact O-N 3.26Å; L653-R655 VanDerWaalsContact C-N 3.28Å; L653-R655 PolarHBondContact O-N 3.17Å; L653-Q656 WeakPolarHBondContact O-CB 3.48Å; L653-Q656 PolarHBondContact O-N 3.2Å; L653-Q656 VanDerWaalsContact O-N 3.14Å; L653-F657 HydrophobicContact CB-CE2 4.45Å; L653-F657 VanDerWaalsContact O-CG 3.24Å; L653-F657 WeakPolarHBondContact O-CG 3.3Å; L653-F657 PolarHBondContact O-N 2.89Å
654	E	92.2	Very high	92.5	Very high	24 Å²	24	63.5 Å²	63.5	11%	0.112	30%	0.301	C	S	.	.	H	α-helix	trans	-63.2	-35.2	177.4	-73	-169.1	-176.4	0	0	112.5	L566 I650 F657 L658 Q855 Y859	L566-E654 HydrophobicContact CD1-CG 3.23Å; L566-E654 WeakPolarHBondContact CD1-OE1 3.5Å; I650-E654 HydrophobicContact CG2-CG 4.35Å; I650-E654 PolarHBondContact O-N 2.98Å; E654-F657 PolarHBondContact O-N 3.19Å; E654-L658 WeakPolarHBondContact O-CB 3.46Å; E654-L658 PolarHBondContact O-N 2.72Å; E654-Q855 PolarHBondContact O-NE2 3.45Å; E654-Q855 VanDerWaalsContact O-NE2 3.11Å; E654-Y859 PolarHBondContact OE1-OH 3.36Å; E654-Y859 WeakPolarHBondContact OE2-CE2 3.23Å; E654-Y859 PolarHBondContact OE2-OH 2.9Å
655	R	92.6	Very high	92.9	Very high	118 Å²	118	61.8 Å²	61.8	45%	0.445	29%	0.292	S	S	.	.	H	α-helix	trans	-63.9	-43	173.6	-177.2	174.6	178.8	156.3	3.6	111.4	T651 L652 L653 F657 L658 Q659	T651-R655 WeakPolarHBondContact O-CB 3.48Å; T651-R655 PolarHBondContact O-N 3.32Å; L652-R655 PolarHBondContact O-N 2.89Å; L653-R655 VanDerWaalsContact C-N 3.28Å; L653-R655 PolarHBondContact O-N 3.17Å; R655-F657 VanDerWaalsContact C-N 3.35Å; R655-L658 PolarHBondContact O-N 2.87Å; R655-Q659 WeakPolarHBondContact O-CB 3.33Å; R655-Q659 VanDerWaalsContact O-CG 3.27Å; R655-Q659 WeakPolarHBondContact O-CG 3.45Å; R655-Q659 PolarHBondContact O-N 3.26Å
656	Q	93.9	Very high	93.3	Very high	84 Å²	84	63.4 Å²	63.4	39%	0.393	29%	0.288	S	S	.	.	H	α-helix	trans	-63.3	-41.3	175.2	-72	175.2	-3.2	0	0	111.6	L652 L653 Q659 Q660	L652-Q656 WeakPolarHBondContact O-CG 3.22Å; L652-Q656 PolarHBondContact O-N 3.28Å; L653-Q656 WeakPolarHBondContact O-CB 3.48Å; L653-Q656 PolarHBondContact O-N 3.2Å; L653-Q656 VanDerWaalsContact O-N 3.14Å; Q656-Q659 PolarHBondContact O-N 3.15Å; Q656-Q660 WeakPolarHBondContact O-CG 3.34Å; Q656-Q660 PolarHBondContact O-N 3.28Å
657	F	95.4	Very high	93.6	Very high	13 Å²	13	64.4 Å²	64.4	6%	0.057	30%	0.299	C	S	.	.	H	α-helix	trans	-64.6	-43.9	177.7	-68.7	-15.9	0	0	0	113	Q562 Q565 L566 L653 E654 R655 Q659 Q660 K661	Q562-F657 HydrophobicContact CB-CB 4.23Å; Q562-F657 HydrophobicContact CB-CD1 4.17Å; Q562-F657 HydrophobicContact CB-CD2 3.68Å; Q562-F657 HydrophobicContact CB-CE1 4.46Å; Q562-F657 HydrophobicContact CB-CE2 4.01Å; Q562-F657 HydrophobicContact CB-CG 3.77Å; Q562-F657 HydrophobicContact CB-CZ 4.39Å; Q562-F657 HydrophobicContact CG-CB 3.87Å; Q562-F657 HydrophobicContact CG-CD1 3.55Å; Q562-F657 HydrophobicContact CG-CD2 3.99Å; Q562-F657 HydrophobicContact CG-CE1 4.03Å; Q562-F657 HydrophobicContact CG-CE2 4.43Å; Q562-F657 HydrophobicContact CG-CG 3.52Å; Q562-F657 HydrophobicContact CG-CZ 4.45Å; Q562-F657 VanDerWaalsContact NE2-CA 3.27Å; Q562-F657 PolarHBondContact NE2-O 2.88Å; Q562-F657 WeakPolarHBondContact O-CE2 3.46Å; Q565-F657 HydrophobicContact CB-CE2 4.28Å; Q565-F657 HydrophobicContact CB-CZ 3.69Å; Q565-F657 HydrophobicContact CG-CZ 4.48Å; Q565-F657 VanDerWaalsContact OE1-CZ 3.29Å; L566-F657 HydrophobicContact CB-CE2 4.4Å; L566-F657 HydrophobicContact CD1-CE2 4.43Å; L653-F657 HydrophobicContact CB-CE2 4.45Å; L653-F657 VanDerWaalsContact O-CG 3.24Å; L653-F657 WeakPolarHBondContact O-CG 3.3Å; L653-F657 PolarHBondContact O-N 2.89Å; E654-F657 PolarHBondContact O-N 3.19Å; R655-F657 VanDerWaalsContact C-N 3.35Å; F657-Q659 VanDerWaalsContact C-N 3.34Å; F657-Q659 PolarHBondContact O-N 3.39Å; F657-Q660 WeakPolarHBondContact O-CB 3.45Å; F657-Q660 PolarHBondContact O-N 3.08Å; F657-K661 PolarHBondContact O-N 3.09Å
658	L	94.4	Very high	94.1	Very high	27 Å²	27	63.7 Å²	63.7	14%	0.141	30%	0.296	C	S	.	.	H	α-helix	trans	-62.4	-42.7	175.2	-175.2	58.4	0	0	0	111.3	E654 R655 Q660 K661 H662 E851 L852 Q855	E654-L658 WeakPolarHBondContact O-CB 3.46Å; E654-L658 PolarHBondContact O-N 2.72Å; R655-L658 PolarHBondContact O-N 2.87Å; L658-Q660 PolarHBondContact O-N 3.37Å; L658-K661 WeakPolarHBondContact O-CB 3.26Å; L658-K661 PolarHBondContact O-N 3.41Å; L658-H662 WeakPolarHBondContact CD1-NE2 3.43Å; L658-H662 VanDerWaalsContact O-CG 3.31Å; L658-H662 PolarHBondContact O-N 2.81Å; L658-E851 HydrophobicContact CD2-CB 4.37Å; L658-L852 HydrophobicContact CD2-CD2 3.98Å; L658-L852 HydrophobicContact CD2-CG 4.39Å; L658-L852 HydrophobicContact CG-CD2 4.43Å; L658-Q855 HydrophobicContact CD2-CB 4.23Å
659	Q	95	Very high	94.5	Very high	87 Å²	87	59.5 Å²	59.5	41%	0.407	28%	0.277	S	S	.	.	H	α-helix	trans	-62.7	-39.8	175.2	-74.3	177.6	-21.4	0	0	113	R655 Q656 F657 H662 Q663 L852	R655-Q659 WeakPolarHBondContact O-CB 3.33Å; R655-Q659 VanDerWaalsContact O-CG 3.27Å; R655-Q659 WeakPolarHBondContact O-CG 3.45Å; R655-Q659 PolarHBondContact O-N 3.26Å; Q656-Q659 PolarHBondContact O-N 3.15Å; F657-Q659 VanDerWaalsContact C-N 3.34Å; F657-Q659 PolarHBondContact O-N 3.39Å; Q659-H662 PolarHBondContact O-N 3.36Å; Q659-Q663 PolarHBondContact O-N 3.01Å; Q659-L852 HydrophobicContact CG-CD2 4.34Å
660	Q	95.6	Very high	94.7	Very high	87 Å²	87	55.6 Å²	55.6	41%	0.407	27%	0.267	S	S	.	.	H	α-helix	trans	-62.2	-43.4	173.3	-74.8	173.3	-0	0	0	111.6	Q562 Q656 F657 L658 H662 Q663 M664	Q562-Q660 VanDerWaalsContact NE2-OE1 3.14Å; Q656-Q660 WeakPolarHBondContact O-CG 3.34Å; Q656-Q660 PolarHBondContact O-N 3.28Å; F657-Q660 WeakPolarHBondContact O-CB 3.45Å; F657-Q660 PolarHBondContact O-N 3.08Å; L658-Q660 PolarHBondContact O-N 3.37Å; Q660-H662 PolarHBondContact O-N 2.85Å; Q660-Q663 WeakPolarHBondContact O-CB 3.3Å; Q660-Q663 PolarHBondContact O-N 2.99Å; Q660-M664 PolarHBondContact O-N 3.43Å; Q660-M664 VanDerWaalsContact O-N 3.09Å
661	K	95.3	Very high	95	Very high	60 Å²	60	56.2 Å²	56.2	26%	0.261	27%	0.272	S	S	.	.	H	α-helix	trans	-59.5	-46.2	174.4	-179.2	-174.8	177.8	-175.9	0	111.2	M559 F657 L658 Q663 M664 L665	M559-K661 HydrophobicContact SD-CD 4.49Å; F657-K661 PolarHBondContact O-N 3.09Å; L658-K661 WeakPolarHBondContact O-CB 3.26Å; L658-K661 PolarHBondContact O-N 3.41Å; K661-Q663 VanDerWaalsContact C-N 3.3Å; K661-Q663 PolarHBondContact O-N 3.31Å; K661-M664 PolarHBondContact O-N 3.31Å; K661-L665 HydrophobicContact CG-CD1 4.29Å; K661-L665 WeakPolarHBondContact O-CG 3.42Å; K661-L665 PolarHBondContact O-N 2.81Å
662	H	96.6	Very high	95.3	Very high	2 Å²	2	55.2 Å²	55.2	1%	0.009	27%	0.266	C	S	.	.	H	α-helix	trans	-59.8	-40.2	175.6	-66.2	171.5	0	0	0	112	L658 Q659 Q660 M664 L665 R666 F848 E851	L658-H662 WeakPolarHBondContact CD1-NE2 3.43Å; L658-H662 VanDerWaalsContact O-CG 3.31Å; L658-H662 PolarHBondContact O-N 2.81Å; Q659-H662 PolarHBondContact O-N 3.36Å; Q660-H662 PolarHBondContact O-N 2.85Å; H662-M664 PolarHBondContact O-N 2.83Å; H662-L665 PolarHBondContact O-N 2.81Å; H662-R666 WeakPolarHBondContact O-CG 3.37Å; H662-R666 PolarHBondContact O-N 3.16Å; H662-F848 HydrophobicContact CB-CD1 4.31Å; H662-F848 HydrophobicContact CB-CD2 4.06Å; H662-F848 HydrophobicContact CB-CE1 4.46Å; H662-F848 HydrophobicContact CB-CE2 4.21Å; H662-F848 HydrophobicContact CB-CG 4.11Å; H662-F848 HydrophobicContact CB-CZ 4.41Å; H662-F848 AromaticContact CD2-CD1 3.3Å; H662-F848 WeakPolarHBondContact CD2-CD1 3.24Å; H662-F848 AromaticContact CD2-CE1 3.71Å; H662-F848 AromaticContact CD2-CG 3.77Å; H662-F848 PolarHBondContact CE1-O 3.02Å; H662-F848 AromaticContact CG-CD1 3.71Å; H662-F848 AromaticContact CG-CG 3.68Å; H662-F848 AromaticContact ND1-CG 3.86Å; H662-F848 AromaticContact NE2-CD1 3.53Å; H662-F848 AromaticContact NE2-CG 3.98Å; H662-E851 IonicContact CD2-OE2 3.63Å; H662-E851 IonicContact CE1-OE2 2.89Å; H662-E851 IonicContact NE2-OE2 3.73Å; H662-E851 PolarHBondContact NE2-OE2 2.92Å
663	Q	96.5	Very high	95.6	Very high	120 Å²	120	53 Å²	53	56%	0.561	25%	0.25	S	S	*	.	H	α-helix	trans	-61.1	-42.3	176.4	-173.2	175.1	7.6	0	0	112.3	Q659 Q660 K661 R666 A667	Q659-Q663 PolarHBondContact O-N 3.01Å; Q660-Q663 WeakPolarHBondContact O-CB 3.3Å; Q660-Q663 PolarHBondContact O-N 2.99Å; K661-Q663 VanDerWaalsContact C-N 3.3Å; K661-Q663 PolarHBondContact O-N 3.31Å; Q663-R666 PolarHBondContact O-N 2.8Å; Q663-A667 PolarHBondContact O-N 2.91Å
664	M	95.7	Very high	95.8	Very high	46 Å²	46	56.9 Å²	56.9	23%	0.227	27%	0.268	C	S	.	.	H	α-helix	trans	-64.9	-41.4	175.4	-65.2	-63.3	103.4	0	0	112.2	V555 I558 Q660 K661 H662 R666 A667 R668	V555-M664 HydrophobicContact CG2-CB 4.09Å; I558-M664 HydrophobicContact CD1-CG 3.42Å; I558-M664 VanDerWaalsContact CD1-CG 3.42Å; I558-M664 HydrophobicContact CD1-SD 3.67Å; Q660-M664 PolarHBondContact O-N 3.43Å; Q660-M664 VanDerWaalsContact O-N 3.09Å; K661-M664 PolarHBondContact O-N 3.31Å; H662-M664 PolarHBondContact O-N 2.83Å; M664-R666 VanDerWaalsContact C-N 3.34Å; M664-R666 PolarHBondContact O-N 3.22Å; M664-A667 WeakPolarHBondContact O-CB 3.48Å; M664-A667 PolarHBondContact O-N 3.4Å; M664-R668 PolarHBondContact O-N 3.31Å
665	L	96.3	Very high	96	Very high	32 Å²	32	56.3 Å²	56.3	17%	0.168	27%	0.266	C	S	.	.	H	α-helix	trans	-67.6	-32.9	177.1	-67.8	175.4	0	0	0	112.6	V555 K661 H662 E669 F848	V555-L665 HydrophobicContact CG2-CD2 4.18Å; K661-L665 HydrophobicContact CG-CD1 4.29Å; K661-L665 WeakPolarHBondContact O-CG 3.42Å; K661-L665 PolarHBondContact O-N 2.81Å; H662-L665 PolarHBondContact O-N 2.81Å; L665-E669 PolarHBondContact O-N 3.14Å; L665-F848 HydrophobicContact CB-CE1 4.08Å; L665-F848 HydrophobicContact CB-CZ 3.57Å; L665-F848 HydrophobicContact CD1-CE1 3.8Å; L665-F848 HydrophobicContact CD1-CZ 4.18Å
666	R	96.7	Very high	96.2	Very high	100 Å²	100	53 Å²	53	38%	0.377	26%	0.255	S	S	.	.	H	α-helix	trans	-65.1	-43.8	169.2	-71	-173.9	-169.8	106.8	3.4	111.8	H662 Q663 M664 E669 A670 E845 F848	H662-R666 WeakPolarHBondContact O-CG 3.37Å; H662-R666 PolarHBondContact O-N 3.16Å; Q663-R666 PolarHBondContact O-N 2.8Å; M664-R666 VanDerWaalsContact C-N 3.34Å; M664-R666 PolarHBondContact O-N 3.22Å; R666-E669 PolarHBondContact O-N 2.95Å; R666-A670 WeakPolarHBondContact O-CB 3.18Å; R666-A670 PolarHBondContact O-N 3.1Å; R666-E845 IonicContact CZ-OE1 3.88Å; R666-E845 IonicContact CZ-OE2 3.6Å; R666-E845 IonicContact NE-OE1 3.06Å; R666-E845 PolarHBondContact NE-OE1 2.88Å; R666-E845 IonicContact NE-OE2 3.97Å; R666-E845 IonicContact NH2-OE1 3.8Å; R666-E845 IonicContact NH2-OE2 3.73Å; R666-E845 PolarHBondContact NH2-OE2 3.43Å; R666-F848 HydrophobicContact CG-CD2 4.49Å; R666-F848 HydrophobicContact CG-CE2 3.7Å
667	A	96.9	Very high	96.3	Very high	37 Å²	37	52.6 Å²	52.6	31%	0.306	25%	0.253	S	S	.	.	H	α-helix	trans	-61.9	-44.1	177.7	0	0	0	0	0	111.2	Y551 Q663 M664 E669 A670 A671	Y551-A667 HydrophobicContact CE1-CB 4.02Å; Y551-A667 PolarHBondContact OH-O 3.01Å; Q663-A667 PolarHBondContact O-N 2.91Å; M664-A667 WeakPolarHBondContact O-CB 3.48Å; M664-A667 PolarHBondContact O-N 3.4Å; A667-E669 PolarHBondContact O-N 3.48Å; A667-A670 PolarHBondContact O-N 2.86Å; A667-A671 WeakPolarHBondContact O-CB 3.23Å; A667-A671 PolarHBondContact O-N 2.79Å
668	R	97.2	Very high	96.4	Very high	85 Å²	85	57.8 Å²	57.8	32%	0.321	27%	0.272	S	S	.	.	H	α-helix	trans	-54.9	-52.2	172	-179.6	-175	167.5	-135.4	-4.3	111.9	Y551 M664 A670 A671 L672	Y551-R668 HydrophobicContact CD1-CB 3.65Å; Y551-R668 HydrophobicContact CD1-CG 4.33Å; Y551-R668 HydrophobicContact CD2-CB 3.97Å; Y551-R668 HydrophobicContact CD2-CG 3.91Å; Y551-R668 HydrophobicContact CE1-CB 4.09Å; Y551-R668 HydrophobicContact CE2-CB 4.39Å; Y551-R668 HydrophobicContact CG-CB 3.58Å; Y551-R668 HydrophobicContact CG-CG 3.73Å; M664-R668 PolarHBondContact O-N 3.31Å; R668-A670 VanDerWaalsContact C-N 3.34Å; R668-A670 PolarHBondContact O-N 3.35Å; R668-A671 PolarHBondContact O-N 2.63Å; R668-L672 HydrophobicContact CG-CD1 4.29Å; R668-L672 WeakPolarHBondContact O-CG 3.44Å; R668-L672 PolarHBondContact O-N 2.77Å
669	E	96.5	Very high	96.4	Very high	31 Å²	31	58 Å²	58	15%	0.145	27%	0.273	C	S	.	.	H	α-helix	trans	-64.1	-39.3	-178.5	-171.9	68.2	-167.6	0	0	111.8	L665 R666 A667 L672 W673 R840 L844	L665-E669 PolarHBondContact O-N 3.14Å; R666-E669 PolarHBondContact O-N 2.95Å; A667-E669 PolarHBondContact O-N 3.48Å; E669-L672 PolarHBondContact O-N 2.96Å; E669-W673 HydrophobicContact CG-CD2 4.49Å; E669-W673 HydrophobicContact CG-CH2 4.41Å; E669-W673 HydrophobicContact CG-CZ2 3.53Å; E669-W673 VanDerWaalsContact O-CD1 3.27Å; E669-W673 VanDerWaalsContact O-CG 3.29Å; E669-W673 PolarHBondContact O-N 3.13Å; E669-W673 PolarHBondContact OE1-NE1 3.4Å; E669-R840 IonicContact OE1-CZ 4Å; E669-R840 IonicContact OE1-NE 3.66Å; E669-R840 PolarHBondContact OE1-NE 2.88Å; E669-R840 VanDerWaalsContact OE1-NE 3.15Å; E669-R840 IonicContact OE1-NH2 2.71Å; E669-R840 PolarHBondContact OE1-NH2 2.98Å; E669-L844 HydrophobicContact CB-CD2 3.86Å; E669-L844 HydrophobicContact CG-CD2 3.96Å
670	A	95.9	Very high	96.5	Very high	38 Å²	38	54.9 Å²	54.9	31%	0.314	26%	0.259	S	S	.	.	H	α-helix	trans	-63.2	-43.6	174.8	0	0	0	0	0	112.1	R666 A667 R668 L672 W673 E674	R666-A670 WeakPolarHBondContact O-CB 3.18Å; R666-A670 PolarHBondContact O-N 3.1Å; A667-A670 PolarHBondContact O-N 2.86Å; R668-A670 VanDerWaalsContact C-N 3.34Å; R668-A670 PolarHBondContact O-N 3.35Å; A670-L672 VanDerWaalsContact C-N 3.32Å; A670-L672 PolarHBondContact O-N 2.95Å; A670-W673 PolarHBondContact O-N 3.33Å; A670-E674 PolarHBondContact O-N 3.33Å
671	A	97.6	Very high	96.5	Very high	17 Å²	17	55 Å²	55	14%	0.14	26%	0.259	C	S	.	.	H	α-helix	trans	-64.3	-36.5	176.7	0	0	0	0	0	112.3	L547 Y551 A667 R668 E674 L675	L547-A671 HydrophobicContact CD1-CB 4.2Å; L547-A671 HydrophobicContact CD2-CB 4.06Å; Y551-A671 HydrophobicContact CE2-CB 3.75Å; A667-A671 WeakPolarHBondContact O-CB 3.23Å; A667-A671 PolarHBondContact O-N 2.79Å; R668-A671 PolarHBondContact O-N 2.63Å; A671-E674 PolarHBondContact O-N 3.29Å; A671-L675 WeakPolarHBondContact O-CB 3.34Å; A671-L675 PolarHBondContact O-N 2.83Å
672	L	97.3	Very high	96.5	Very high	14 Å²	14	55.2 Å²	55.2	7%	0.073	26%	0.261	C	S	.	.	H	α-helix	trans	-62.1	-42.9	172.4	-72.5	170.1	0	0	0	111.4	L544 L547 L548 R668 E669 A670 L675 E676	L544-L672 HydrophobicContact CD1-CD2 3.43Å; L544-L672 VanDerWaalsContact CD1-CD2 3.43Å; L547-L672 HydrophobicContact CD2-CD2 3.97Å; L547-L672 HydrophobicContact CD2-CG 4.36Å; L548-L672 HydrophobicContact CD2-CD1 4.36Å; L548-L672 HydrophobicContact CD2-CD2 4.18Å; R668-L672 HydrophobicContact CG-CD1 4.29Å; R668-L672 WeakPolarHBondContact O-CG 3.44Å; R668-L672 PolarHBondContact O-N 2.77Å; E669-L672 PolarHBondContact O-N 2.96Å; A670-L672 VanDerWaalsContact C-N 3.32Å; A670-L672 PolarHBondContact O-N 2.95Å; L672-L675 PolarHBondContact O-N 3.48Å; L672-E676 WeakPolarHBondContact O-CB 3.37Å; L672-E676 WeakPolarHBondContact O-CG 3.31Å; L672-E676 PolarHBondContact O-N 3.16Å
673	W	96.3	Very high	96.5	Very high	52 Å²	52	61.6 Å²	61.6	20%	0.197	29%	0.285	C	S	.	.	H	α-helix	trans	-65.1	-40.2	176.8	-59.6	-12	0	0	0	112.5	E669 A670 L675 E676 E677 W833 L837 R840 K841	E669-W673 HydrophobicContact CG-CD2 4.49Å; E669-W673 HydrophobicContact CG-CH2 4.41Å; E669-W673 HydrophobicContact CG-CZ2 3.53Å; E669-W673 VanDerWaalsContact O-CD1 3.27Å; E669-W673 VanDerWaalsContact O-CG 3.29Å; E669-W673 PolarHBondContact O-N 3.13Å; E669-W673 PolarHBondContact OE1-NE1 3.4Å; A670-W673 PolarHBondContact O-N 3.33Å; W673-L675 VanDerWaalsContact C-N 3.32Å; W673-L675 PolarHBondContact O-N 3.47Å; W673-E676 PolarHBondContact O-N 3.08Å; W673-E677 PolarHBondContact O-N 2.94Å; W673-W833 HydrophobicContact CB-CZ2 4.4Å; W673-W833 WeakPolarHBondContact O-CZ2 3.4Å; W673-L837 HydrophobicContact CB-CD2 4.36Å; W673-L837 HydrophobicContact CD2-CD2 3.87Å; W673-L837 HydrophobicContact CG-CD2 3.75Å; W673-R840 HydrophobicContact CZ2-CB 4.45Å; W673-K841 HydrophobicContact CH2-CB 3.82Å; W673-K841 HydrophobicContact CH2-CD 4.38Å; W673-K841 HydrophobicContact CH2-CG 4.18Å; W673-K841 HydrophobicContact CZ2-CB 4.33Å
674	E	97.2	Very high	96.5	Very high	120 Å²	120	56.4 Å²	56.4	56%	0.561	26%	0.261	S	S	*	.	H	α-helix	trans	-63.5	-38.4	175	-72	-179.3	-172.9	0	0	112	A670 A671 R678	A670-E674 PolarHBondContact O-N 3.33Å; A671-E674 PolarHBondContact O-N 3.29Å; E674-R678 WeakPolarHBondContact O-CB 3.43Å; E674-R678 PolarHBondContact O-N 2.93Å
675	L	97.3	Very high	96.5	Very high	13 Å²	13	57.5 Å²	57.5	7%	0.068	27%	0.265	C	S	.	.	H	α-helix	trans	-66.3	-44.5	174.8	-177.2	63.7	0	0	0	111.5	F540 D543 L544 L547 A671 L672 W673 R678 Q679	F540-L675 HydrophobicContact CD2-CG 4.35Å; F540-L675 HydrophobicContact CE2-CD2 4.35Å; F540-L675 HydrophobicContact CE2-CG 4.01Å; D543-L675 HydrophobicContact CB-CD1 4.04Å; D543-L675 HydrophobicContact CB-CD2 4.37Å; L544-L675 HydrophobicContact CB-CD2 4.19Å; L544-L675 HydrophobicContact CD1-CD2 4.34Å; L547-L675 HydrophobicContact CD2-CB 4.38Å; L547-L675 HydrophobicContact CD2-CD2 3.99Å; A671-L675 WeakPolarHBondContact O-CB 3.34Å; A671-L675 PolarHBondContact O-N 2.83Å; L672-L675 PolarHBondContact O-N 3.48Å; W673-L675 VanDerWaalsContact C-N 3.32Å; W673-L675 PolarHBondContact O-N 3.47Å; L675-R678 PolarHBondContact O-N 3.46Å; L675-Q679 WeakPolarHBondContact O-CB 3.31Å; L675-Q679 PolarHBondContact O-N 3.28Å
676	E	96.5	Very high	96.4	Very high	49 Å²	49	57.3 Å²	57.3	23%	0.229	26%	0.264	C	S	.	.	H	α-helix	trans	-60.9	-45.4	174.9	-73.6	173.7	-160.2	0	0	112	L672 W673 Q679 L680 W833 R840	L672-E676 WeakPolarHBondContact O-CB 3.37Å; L672-E676 WeakPolarHBondContact O-CG 3.31Å; L672-E676 PolarHBondContact O-N 3.16Å; W673-E676 PolarHBondContact O-N 3.08Å; E676-Q679 PolarHBondContact O-N 2.89Å; E676-L680 WeakPolarHBondContact O-CB 3.34Å; E676-L680 PolarHBondContact O-N 3.32Å; E676-W833 HydrophobicContact CB-CZ2 4.02Å; E676-W833 PolarHBondContact OE2-NE1 3.05Å; E676-R840 VanDerWaalsContact CD-NH1 3.33Å; E676-R840 IonicContact OE1-CZ 3.66Å; E676-R840 IonicContact OE1-NH1 2.88Å; E676-R840 PolarHBondContact OE1-NH1 3.03Å; E676-R840 IonicContact OE1-NH2 3.77Å; E676-R840 PolarHBondContact OE1-NH2 2.96Å; E676-R840 IonicContact OE2-NH1 2.67Å; E676-R840 PolarHBondContact OE2-NH1 3.5Å
677	E	96.6	Very high	96.4	Very high	75 Å²	75	54.7 Å²	54.7	35%	0.35	26%	0.258	S	S	.	.	H	α-helix	trans	-62.8	-44	177.9	-166.2	166.3	-155.7	0	0	111.4	W673 Q679 L680 H681 W833 K834	W673-E677 PolarHBondContact O-N 2.94Å; E677-Q679 VanDerWaalsContact C-N 3.33Å; E677-Q679 PolarHBondContact O-N 3.45Å; E677-L680 PolarHBondContact O-N 3.21Å; E677-H681 PolarHBondContact O-N 3.24Å; E677-W833 HydrophobicContact CB-CH2 3.49Å; E677-W833 VanDerWaalsContact CB-CH2 3.49Å; E677-W833 HydrophobicContact CB-CZ2 4.13Å; E677-W833 HydrophobicContact CB-CZ3 3.92Å; E677-W833 HydrophobicContact CG-CH2 3.92Å; E677-W833 HydrophobicContact CG-CZ3 3.82Å; E677-K834 VanDerWaalsContact OE1-CE 3.3Å; E677-K834 WeakPolarHBondContact OE1-CE 3.14Å; E677-K834 IonicContact OE1-NZ 3.55Å; E677-K834 PolarHBondContact OE1-NZ 3.15Å
678	R	96.3	Very high	96.3	Very high	122 Å²	122	54.6 Å²	54.6	46%	0.46	25%	0.25	S	S	.	.	H	α-helix	trans	-60.9	-44.5	176.5	-170.2	-174.8	-54.1	118.4	8.2	110.8	E674 L675 H681 E682	E674-R678 WeakPolarHBondContact O-CB 3.43Å; E674-R678 PolarHBondContact O-N 2.93Å; L675-R678 PolarHBondContact O-N 3.46Å; R678-H681 PolarHBondContact O-N 3.2Å; R678-E682 HydrophobicContact CG-CG 4.4Å; R678-E682 WeakPolarHBondContact O-CB 3.35Å; R678-E682 WeakPolarHBondContact O-CG 3.48Å; R678-E682 PolarHBondContact O-N 2.98Å
679	Q	96.1	Very high	96.2	Very high	31 Å²	31	54.1 Å²	54.1	15%	0.145	25%	0.254	C	S	.	.	H	α-helix	trans	-64.4	-41.7	178.5	175.9	61.9	-11.2	0	0	112.1	F540 L675 E676 E677 H681 E682 R683	F540-Q679 HydrophobicContact CB-CG 4.22Å; F540-Q679 HydrophobicContact CD1-CG 4.3Å; F540-Q679 HydrophobicContact CD2-CB 3.55Å; F540-Q679 HydrophobicContact CD2-CG 3.48Å; F540-Q679 VanDerWaalsContact CD2-CG 3.48Å; F540-Q679 HydrophobicContact CE2-CB 3.68Å; F540-Q679 HydrophobicContact CE2-CG 3.82Å; F540-Q679 HydrophobicContact CG-CB 4.31Å; F540-Q679 HydrophobicContact CG-CG 3.73Å; F540-Q679 HydrophobicContact CZ-CG 4.37Å; L675-Q679 WeakPolarHBondContact O-CB 3.31Å; L675-Q679 PolarHBondContact O-N 3.28Å; E676-Q679 PolarHBondContact O-N 2.89Å; E677-Q679 VanDerWaalsContact C-N 3.33Å; E677-Q679 PolarHBondContact O-N 3.45Å; Q679-H681 VanDerWaalsContact C-N 3.29Å; Q679-H681 PolarHBondContact O-N 3.33Å; Q679-E682 PolarHBondContact O-N 3.4Å; Q679-R683 VanDerWaalsContact O-CB 3.23Å; Q679-R683 WeakPolarHBondContact O-CB 3.21Å; Q679-R683 PolarHBondContact O-N 3.22Å
680	L	95.8	Very high	96.1	Very high	22 Å²	22	53.1 Å²	53.1	12%	0.115	25%	0.249	C	C	.	.	H	α-helix	trans	-60.4	-42.4	176.1	-168.2	65.4	0	0	0	111	E676 E677 H684 Y826 E829 L830 W833	E676-L680 WeakPolarHBondContact O-CB 3.34Å; E676-L680 PolarHBondContact O-N 3.32Å; E677-L680 PolarHBondContact O-N 3.21Å; L680-H684 WeakPolarHBondContact O-CB 3.48Å; L680-H684 PolarHBondContact O-N 3.35Å; L680-Y826 HydrophobicContact CG-CE2 4.12Å; L680-E829 HydrophobicContact CD1-CG 4.07Å; L680-L830 HydrophobicContact CD2-CB 4.32Å; L680-L830 HydrophobicContact CD2-CD1 3.78Å; L680-W833 HydrophobicContact CD2-CB 4.36Å; L680-W833 HydrophobicContact CD2-CG 4.5Å
681	H	95.9	Very high	95.9	Very high	90 Å²	90	53.2 Å²	53.2	42%	0.417	24%	0.244	S	C	.	.	H	α-helix	trans	-66.8	-48.3	176.1	-174.4	68.9	0	0	0	112.9	E677 R678 Q679 R683 H684 Q685 Y826	E677-H681 PolarHBondContact O-N 3.24Å; R678-H681 PolarHBondContact O-N 3.2Å; Q679-H681 VanDerWaalsContact C-N 3.29Å; Q679-H681 PolarHBondContact O-N 3.33Å; H681-R683 VanDerWaalsContact C-N 3.31Å; H681-R683 PolarHBondContact O-N 3.43Å; H681-H684 PolarHBondContact O-N 2.83Å; H681-Q685 WeakPolarHBondContact O-CG 3.39Å; H681-Q685 PolarHBondContact O-N 2.64Å; H681-Y826 PolarHBondContact ND1-OH 3.32Å
682	E	96.1	Very high	95.8	Very high	63 Å²	63	57 Å²	57	29%	0.294	26%	0.257	S	S	.	.	H	α-helix	trans	-60.6	-40.7	178	-74.7	-174.9	-165	0	0	111.1	Q536 K539 R678 Q679 Q685 L686	Q536-E682 PolarHBondContact NE2-O 2.69Å; K539-E682 IonicContact NZ-OE1 3.99Å; K539-E682 IonicContact NZ-OE2 3.88Å; K539-E682 PolarHBondContact NZ-OE2 3.28Å; K539-E682 VanDerWaalsContact NZ-OE2 3.15Å; R678-E682 HydrophobicContact CG-CG 4.4Å; R678-E682 WeakPolarHBondContact O-CB 3.35Å; R678-E682 WeakPolarHBondContact O-CG 3.48Å; R678-E682 PolarHBondContact O-N 2.98Å; Q679-E682 PolarHBondContact O-N 3.4Å; E682-Q685 PolarHBondContact O-N 2.99Å; E682-L686 WeakPolarHBondContact O-CB 3.32Å; E682-L686 PolarHBondContact O-N 3.41Å
683	R	95.5	Very high	95.6	Very high	136 Å²	136	59.5 Å²	59.5	51%	0.513	27%	0.268	S	S	.	.	H	α-helix	trans	-63.3	-45.9	175.9	-177.7	179.9	177.1	168.3	-0.2	111.6	Q679 H681 L686 L687	Q679-R683 VanDerWaalsContact O-CB 3.23Å; Q679-R683 WeakPolarHBondContact O-CB 3.21Å; Q679-R683 PolarHBondContact O-N 3.22Å; H681-R683 VanDerWaalsContact C-N 3.31Å; H681-R683 PolarHBondContact O-N 3.43Å; R683-L686 PolarHBondContact O-N 2.89Å; R683-L687 HydrophobicContact CG-CD1 4.13Å; R683-L687 WeakPolarHBondContact O-CG 3.46Å; R683-L687 PolarHBondContact O-N 3.45Å
684	H	95.8	Very high	95.4	Very high	12 Å²	12	60 Å²	60	6%	0.056	28%	0.275	C	S	.	.	H	α-helix	trans	-60.8	-45.4	176.2	170.2	67.3	0	0	0	112.1	L680 H681 L686 L687 K688 F822 D823 Y826	L680-H684 WeakPolarHBondContact O-CB 3.48Å; L680-H684 PolarHBondContact O-N 3.35Å; H681-H684 PolarHBondContact O-N 2.83Å; H684-L686 VanDerWaalsContact C-N 3.34Å; H684-L686 PolarHBondContact O-N 3.48Å; H684-L687 PolarHBondContact O-N 3.1Å; H684-K688 VanDerWaalsContact O-CB 3.24Å; H684-K688 WeakPolarHBondContact O-CB 3.46Å; H684-K688 PolarHBondContact O-N 3.06Å; H684-F822 AromaticContact CE1-CD1 3.8Å; H684-F822 AromaticContact CE1-CE1 3.51Å; H684-F822 AromaticContact ND1-CE1 3.3Å; H684-F822 VanDerWaalsContact ND1-CE1 3.3Å; H684-F822 WeakPolarHBondContact ND1-CE1 3.19Å; H684-F822 AromaticContact ND1-CZ 3.88Å; H684-D823 IonicContact CE1-OD1 3.6Å; H684-D823 PolarHBondContact CE1-OD1 2.78Å; H684-D823 VanDerWaalsContact CE1-OD1 3.27Å; H684-D823 IonicContact NE2-OD1 3.77Å; H684-D823 PolarHBondContact NE2-OD1 2.85Å; H684-Y826 HydrophobicContact CB-CD2 3.37Å; H684-Y826 HydrophobicContact CB-CE2 3.47Å; H684-Y826 VanDerWaalsContact CB-CE2 3.47Å; H684-Y826 HydrophobicContact CB-CG 3.94Å; H684-Y826 AromaticContact CD2-CD1 3.65Å; H684-Y826 AromaticContact CD2-CE1 3.8Å; H684-Y826 AromaticContact CD2-CG 3.77Å; H684-Y826 AromaticContact CE1-CD1 3.85Å; H684-Y826 AromaticContact CE1-CG 3.7Å; H684-Y826 AromaticContact CG-CD1 3.81Å; H684-Y826 AromaticContact CG-CD2 3.41Å; H684-Y826 VanDerWaalsContact CG-CD2 3.41Å; H684-Y826 AromaticContact CG-CE2 3.77Å; H684-Y826 AromaticContact CG-CG 3.4Å; H684-Y826 VanDerWaalsContact CG-CG 3.4Å; H684-Y826 VanDerWaalsContact ND1-CB 3.3Å; H684-Y826 WeakPolarHBondContact ND1-CB 3.43Å; H684-Y826 AromaticContact ND1-CD1 3.94Å; H684-Y826 AromaticContact ND1-CD2 3.74Å; H684-Y826 AromaticContact ND1-CG 3.37Å; H684-Y826 AromaticContact NE2-CD1 3.71Å; H684-Y826 AromaticContact NE2-CG 3.97Å
685	Q	96.1	Very high	95.2	Very high	69 Å²	69	55.1 Å²	55.1	32%	0.322	25%	0.252	S	S	.	.	H	α-helix	trans	-63.1	-40	177	-67.9	-53.6	-45.2	0	0	112.3	H681 E682 K688 N689	H681-Q685 WeakPolarHBondContact O-CG 3.39Å; H681-Q685 PolarHBondContact O-N 2.64Å; E682-Q685 PolarHBondContact O-N 2.99Å; Q685-K688 PolarHBondContact O-N 3.46Å; Q685-N689 WeakPolarHBondContact O-CB 3.32Å; Q685-N689 VanDerWaalsContact O-CG 3.23Å; Q685-N689 PolarHBondContact O-N 2.79Å; Q685-N689 PolarHBondContact O-ND2 3.02Å
686	L	95.7	Very high	95	Very high	28 Å²	28	60.7 Å²	60.7	15%	0.147	28%	0.276	C	S	.	.	H	α-helix	trans	-61.3	-53.2	176.5	178.5	62.7	0	0	0	111.1	Q532 R533 Q536 E682 R683 H684 K688 N689 Q690	Q532-L686 HydrophobicContact CB-CD1 4.04Å; Q532-L686 HydrophobicContact CB-CD2 4.25Å; R533-L686 HydrophobicContact CG-CD2 4.21Å; Q536-L686 HydrophobicContact CB-CD2 4.19Å; E682-L686 WeakPolarHBondContact O-CB 3.32Å; E682-L686 PolarHBondContact O-N 3.41Å; R683-L686 PolarHBondContact O-N 2.89Å; H684-L686 VanDerWaalsContact C-N 3.34Å; H684-L686 PolarHBondContact O-N 3.48Å; L686-K688 VanDerWaalsContact C-N 3.31Å; L686-K688 PolarHBondContact O-N 2.82Å; L686-N689 PolarHBondContact O-N 3.49Å; L686-N689 VanDerWaalsContact O-N 3.14Å; L686-Q690 WeakPolarHBondContact O-CG 3.45Å; L686-Q690 PolarHBondContact O-N 2.85Å
687	L	95.7	Very high	94.7	Very high	45 Å²	45	59.4 Å²	59.4	24%	0.236	27%	0.27	C	S	.	.	H	α-helix	trans	-61.1	-40	178.9	-69.9	176.1	0	0	0	111.9	R683 H684 N689 Q690 M691 F822	R683-L687 HydrophobicContact CG-CD1 4.13Å; R683-L687 WeakPolarHBondContact O-CG 3.46Å; R683-L687 PolarHBondContact O-N 3.45Å; H684-L687 PolarHBondContact O-N 3.1Å; L687-N689 VanDerWaalsContact C-N 3.32Å; L687-N689 PolarHBondContact O-N 3.26Å; L687-Q690 WeakPolarHBondContact O-CB 3.24Å; L687-Q690 PolarHBondContact O-N 2.73Å; L687-M691 WeakPolarHBondContact O-CG 3.45Å; L687-M691 PolarHBondContact O-N 2.86Å; L687-F822 HydrophobicContact CB-CE1 4.31Å; L687-F822 HydrophobicContact CB-CE2 4.33Å; L687-F822 HydrophobicContact CB-CZ 3.55Å; L687-F822 HydrophobicContact CD1-CZ 4.26Å
688	K	95	Very high	94.4	Very high	34 Å²	34	59.2 Å²	59.2	15%	0.148	27%	0.27	C	S	.	.	H	α-helix	trans	-61.3	-40.5	175	-170.6	170.5	-169.2	158.3	0	112.2	H684 Q685 L686 K692 L819 F822 D823	H684-K688 VanDerWaalsContact O-CB 3.24Å; H684-K688 WeakPolarHBondContact O-CB 3.46Å; H684-K688 PolarHBondContact O-N 3.06Å; Q685-K688 PolarHBondContact O-N 3.46Å; L686-K688 VanDerWaalsContact C-N 3.31Å; L686-K688 PolarHBondContact O-N 2.82Å; K688-K692 WeakPolarHBondContact O-CG 3.41Å; K688-K692 PolarHBondContact O-N 3.34Å; K688-K692 VanDerWaalsContact O-N 3.08Å; K688-L819 HydrophobicContact CG-CD2 4.44Å; K688-F822 HydrophobicContact CB-CD1 4.4Å; K688-F822 HydrophobicContact CB-CE1 3.92Å; K688-D823 WeakPolarHBondContact CE-OD1 3.33Å; K688-D823 IonicContact NZ-OD1 2.73Å; K688-D823 PolarHBondContact NZ-OD1 2.8Å; K688-D823 IonicContact NZ-OD2 2.64Å; K688-D823 PolarHBondContact NZ-OD2 3.47Å
689	N	95	Very high	93.8	Very high	75 Å²	75	57.6 Å²	57.6	40%	0.401	26%	0.263	S	S	.	.	H	α-helix	trans	-69.5	-39.9	176.5	-72	-21.8	0	0	0	111.5	Q685 L686 L687 M691 K692 E693	Q685-N689 WeakPolarHBondContact O-CB 3.32Å; Q685-N689 VanDerWaalsContact O-CG 3.23Å; Q685-N689 PolarHBondContact O-N 2.79Å; Q685-N689 PolarHBondContact O-ND2 3.02Å; L686-N689 PolarHBondContact O-N 3.49Å; L686-N689 VanDerWaalsContact O-N 3.14Å; L687-N689 VanDerWaalsContact C-N 3.32Å; L687-N689 PolarHBondContact O-N 3.26Å; N689-M691 PolarHBondContact O-N 3.23Å; N689-K692 WeakPolarHBondContact O-CB 3.48Å; N689-K692 PolarHBondContact O-N 3.02Å; N689-K692 VanDerWaalsContact O-N 3.14Å; N689-E693 WeakPolarHBondContact O-CG 3.39Å; N689-E693 PolarHBondContact O-N 3.34Å
690	Q	94.6	Very high	93.5	Very high	11 Å²	11	58.3 Å²	58.3	5%	0.051	27%	0.272	C	S	.	.	H	α-helix	trans	-57.8	-47.8	173.3	-70	176.1	-3	0	0	111	A529 L686 L687 K692 E693 D694	A529-Q690 VanDerWaalsContact CA-NE2 3.32Å; A529-Q690 HydrophobicContact CB-CG 3.93Å; A529-Q690 PolarHBondContact O-NE2 2.84Å; L686-Q690 WeakPolarHBondContact O-CG 3.45Å; L686-Q690 PolarHBondContact O-N 2.85Å; L687-Q690 WeakPolarHBondContact O-CB 3.24Å; L687-Q690 PolarHBondContact O-N 2.73Å; Q690-K692 VanDerWaalsContact C-N 3.31Å; Q690-K692 PolarHBondContact O-N 2.83Å; Q690-E693 WeakPolarHBondContact O-CB 3.27Å; Q690-E693 PolarHBondContact O-N 3.17Å; Q690-E693 VanDerWaalsContact O-N 3.11Å; Q690-D694 PolarHBondContact O-N 3Å
691	M	92.4	Very high	93.2	Very high	39 Å²	39	58.2 Å²	58.2	19%	0.192	27%	0.271	C	S	.	.	H	α-helix	trans	-58.7	-40.5	174.5	-70.5	-177.1	72.8	0	0	112.8	L687 N689 E693 D694 F695 R818 L819 F822	L687-M691 WeakPolarHBondContact O-CG 3.45Å; L687-M691 PolarHBondContact O-N 2.86Å; N689-M691 PolarHBondContact O-N 3.23Å; M691-E693 VanDerWaalsContact C-N 3.34Å; M691-D694 PolarHBondContact O-N 3.43Å; M691-F695 HydrophobicContact CB-CE2 4.07Å; M691-F695 HydrophobicContact CE-CE2 4.07Å; M691-F695 HydrophobicContact CE-CZ 3.88Å; M691-F695 WeakPolarHBondContact O-CD2 3.17Å; M691-F695 VanDerWaalsContact O-CG 3.23Å; M691-F695 WeakPolarHBondContact O-CG 3.16Å; M691-F695 PolarHBondContact O-N 2.9Å; M691-R818 HydrophobicContact CE-CB 4.44Å; M691-L819 HydrophobicContact CB-CD2 4.45Å; M691-F822 HydrophobicContact CE-CB 4.27Å; M691-F822 HydrophobicContact CE-CG 4.43Å; M691-F822 HydrophobicContact SD-CB 4.02Å; M691-F822 HydrophobicContact SD-CD1 3.93Å; M691-F822 HydrophobicContact SD-CD2 3.62Å; M691-F822 HydrophobicContact SD-CE1 4.33Å; M691-F822 HydrophobicContact SD-CE2 4.05Å; M691-F822 HydrophobicContact SD-CG 3.55Å; M691-F822 VanDerWaalsContact SD-CG 3.55Å; M691-F822 HydrophobicContact SD-CZ 4.39Å
692	K	93.7	Very high	92.5	Very high	96 Å²	96	56.3 Å²	56.3	42%	0.417	26%	0.262	S	S	.	.	H	α-helix	trans	-65.9	-36.7	176.5	-74.2	172.7	-178.1	173.4	0	112.4	K688 N689 Q690 F696 L819	K688-K692 WeakPolarHBondContact O-CG 3.41Å; K688-K692 PolarHBondContact O-N 3.34Å; K688-K692 VanDerWaalsContact O-N 3.08Å; N689-K692 WeakPolarHBondContact O-CB 3.48Å; N689-K692 PolarHBondContact O-N 3.02Å; N689-K692 VanDerWaalsContact O-N 3.14Å; Q690-K692 VanDerWaalsContact C-N 3.31Å; Q690-K692 PolarHBondContact O-N 2.83Å; K692-F696 VanDerWaalsContact O-CB 3.27Å; K692-F696 WeakPolarHBondContact O-CB 3.17Å; K692-F696 PolarHBondContact O-N 2.85Å; K692-L819 HydrophobicContact CG-CD2 4.36Å
693	E	94.2	Very high	91.9	Very high	67 Å²	67	57 Å²	57	31%	0.313	27%	0.268	S	S	.	.	H	α-helix	trans	-65.1	-42.7	174.1	-69.9	-179.8	171	0	0	110.6	L525 N689 Q690 M691 F696 L697	L525-E693 HydrophobicContact CD1-CB 3.96Å; L525-E693 WeakPolarHBondContact CD1-OE2 3.07Å; L525-E693 HydrophobicContact CD2-CB 4.09Å; N689-E693 WeakPolarHBondContact O-CG 3.39Å; N689-E693 PolarHBondContact O-N 3.34Å; Q690-E693 WeakPolarHBondContact O-CB 3.27Å; Q690-E693 PolarHBondContact O-N 3.17Å; Q690-E693 VanDerWaalsContact O-N 3.11Å; M691-E693 VanDerWaalsContact C-N 3.34Å; E693-F696 PolarHBondContact O-N 3.49Å; E693-L697 WeakPolarHBondContact O-CB 3.31Å; E693-L697 PolarHBondContact O-N 2.75Å
694	D	92.4	Very high	91.4	Very high	63 Å²	63	53.4 Å²	53.4	34%	0.337	26%	0.261	S	S	.	.	H	α-helix	trans	-60.2	-47.6	174.4	-68.9	-29.4	0	0	0	111.5	L525 Q690 M691 F696 L697 Q698	L525-D694 WeakPolarHBondContact CD2-OD1 3.24Å; Q690-D694 PolarHBondContact O-N 3Å; M691-D694 PolarHBondContact O-N 3.43Å; D694-F696 PolarHBondContact O-N 2.85Å; D694-L697 PolarHBondContact O-N 2.63Å; D694-Q698 WeakPolarHBondContact O-CB 3.49Å; D694-Q698 PolarHBondContact O-N 3.42Å
695	F	92.2	Very high	90.7	Very high	18 Å²	18	59.1 Å²	59.1	8%	0.079	28%	0.282	C	S	.	.	H	α-helix	trans	-64	-40	176.5	-63.6	-40	0	0	0	112.2	M691 Q698 R699 E815 R818 L819	M691-F695 HydrophobicContact CB-CE2 4.07Å; M691-F695 HydrophobicContact CE-CE2 4.07Å; M691-F695 HydrophobicContact CE-CZ 3.88Å; M691-F695 WeakPolarHBondContact O-CD2 3.17Å; M691-F695 VanDerWaalsContact O-CG 3.23Å; M691-F695 WeakPolarHBondContact O-CG 3.16Å; M691-F695 PolarHBondContact O-N 2.9Å; F695-Q698 PolarHBondContact O-N 2.97Å; F695-R699 WeakPolarHBondContact O-CB 3.49Å; F695-R699 VanDerWaalsContact O-CG 3.31Å; F695-R699 WeakPolarHBondContact O-CG 3.4Å; F695-R699 PolarHBondContact O-N 3.31Å; F695-E815 HydrophobicContact CB-CG 4.1Å; F695-E815 HydrophobicContact CD1-CB 4.44Å; F695-E815 HydrophobicContact CD1-CG 3.77Å; F695-E815 HydrophobicContact CD2-CB 4.47Å; F695-E815 HydrophobicContact CD2-CG 4.49Å; F695-E815 HydrophobicContact CE1-CG 4.33Å; F695-E815 HydrophobicContact CG-CB 4.33Å; F695-E815 HydrophobicContact CG-CG 3.87Å; F695-R818 HydrophobicContact CZ-CB 3.86Å; F695-L819 HydrophobicContact CD2-CD1 4.47Å; F695-L819 HydrophobicContact CD2-CD2 4.37Å; F695-L819 HydrophobicContact CD2-CG 4.29Å; F695-L819 HydrophobicContact CE2-CD1 4.41Å; F695-L819 HydrophobicContact CE2-CD2 3.83Å; F695-L819 HydrophobicContact CE2-CG 3.76Å
696	F	92.9	Very high	89.8	Confident	130 Å²	130	57 Å²	57	57%	0.57	27%	0.272	S	S	*	.	H	α-helix	trans	-61.7	-45.8	175.5	178.5	-91.8	0	0	0	111.4	K692 E693 D694 R699 S700	K692-F696 VanDerWaalsContact O-CB 3.27Å; K692-F696 WeakPolarHBondContact O-CB 3.17Å; K692-F696 PolarHBondContact O-N 2.85Å; E693-F696 PolarHBondContact O-N 3.49Å; D694-F696 PolarHBondContact O-N 2.85Å; F696-R699 PolarHBondContact O-N 3.36Å; F696-S700 WeakPolarHBondContact O-CB 3.32Å; F696-S700 PolarHBondContact O-N 3.44Å
697	L	91.5	Very high	89.1	Confident	21 Å²	21	60.1 Å²	60.1	11%	0.11	29%	0.286	C	S	.	.	H	α-helix	trans	-63.3	-45.9	178.1	-173.1	59.7	0	0	0	111.2	Q521 F522 L525 E693 D694 R699 S700 H701	Q521-L697 HydrophobicContact CB-CD1 4.07Å; Q521-L697 HydrophobicContact CB-CD2 3.98Å; F522-L697 HydrophobicContact CD1-CD2 3.85Å; F522-L697 HydrophobicContact CD2-CD2 4.35Å; F522-L697 HydrophobicContact CE1-CB 4.5Å; F522-L697 HydrophobicContact CE1-CD2 4.03Å; F522-L697 HydrophobicContact CE1-CG 4.36Å; F522-L697 HydrophobicContact CG-CD2 4.02Å; F522-L697 HydrophobicContact CZ-CD2 4.35Å; F522-L697 HydrophobicContact CZ-CG 4.31Å; L525-L697 HydrophobicContact CB-CD2 4.37Å; L525-L697 HydrophobicContact CD2-CB 4.31Å; L525-L697 HydrophobicContact CD2-CD2 3.8Å; E693-L697 WeakPolarHBondContact O-CB 3.31Å; E693-L697 PolarHBondContact O-N 2.75Å; D694-L697 PolarHBondContact O-N 2.63Å; L697-R699 PolarHBondContact O-N 2.96Å; L697-S700 WeakPolarHBondContact O-CB 3.33Å; L697-S700 PolarHBondContact O-N 3.37Å; L697-H701 VanDerWaalsContact CD1-NE2 3.33Å; L697-H701 WeakPolarHBondContact CD1-NE2 3.49Å; L697-H701 PolarHBondContact O-CD2 3.29Å; L697-H701 PolarHBondContact O-N 2.83Å
698	Q	88.8	Confident	88.5	Confident	72 Å²	72	61 Å²	61	34%	0.336	29%	0.288	S	S	.	.	H	α-helix	trans	-58.4	-45	176	-170.5	176.9	33.9	0	0	112.2	F522 D694 F695 H701 M702	F522-Q698 HydrophobicContact CZ-CB 4.19Å; D694-Q698 WeakPolarHBondContact O-CB 3.49Å; D694-Q698 PolarHBondContact O-N 3.42Å; F695-Q698 PolarHBondContact O-N 2.97Å; Q698-H701 PolarHBondContact O-N 3.43Å; Q698-M702 VanDerWaalsContact O-CB 3.29Å; Q698-M702 WeakPolarHBondContact O-CB 3.09Å; Q698-M702 PolarHBondContact O-N 2.97Å
699	R	84.8	Confident	87.6	Confident	87 Å²	87	62.3 Å²	62.3	33%	0.328	30%	0.295	S	S	.	.	H	α-helix	trans	-63.3	-44.3	174.8	-73.2	-175.3	-58.1	-167.9	9.1	112.2	F695 F696 L697 H701 M702 L703 L811 E815	F695-R699 WeakPolarHBondContact O-CB 3.49Å; F695-R699 VanDerWaalsContact O-CG 3.31Å; F695-R699 WeakPolarHBondContact O-CG 3.4Å; F695-R699 PolarHBondContact O-N 3.31Å; F696-R699 PolarHBondContact O-N 3.36Å; L697-R699 PolarHBondContact O-N 2.96Å; R699-H701 PolarHBondContact O-N 3.49Å; R699-M702 PolarHBondContact O-N 3.3Å; R699-L703 WeakPolarHBondContact O-CB 3.44Å; R699-L703 VanDerWaalsContact O-CG 3.27Å; R699-L703 WeakPolarHBondContact O-CG 3.3Å; R699-L703 PolarHBondContact O-N 3.05Å; R699-L811 HydrophobicContact CG-CD2 3.93Å; R699-E815 WeakPolarHBondContact CD-OE1 3.47Å; R699-E815 WeakPolarHBondContact CD-OE2 3.41Å; R699-E815 WeakPolarHBondContact CG-OE1 3.49Å; R699-E815 IonicContact CZ-OE2 3.17Å; R699-E815 IonicContact NE-OE2 3.53Å; R699-E815 IonicContact NH1-OE2 3.22Å; R699-E815 PolarHBondContact NH1-OE2 3.21Å
700	S	89.3	Confident	86.7	Confident	46 Å²	46	61.5 Å²	61.5	32%	0.322	29%	0.29	S	S	.	.	H	α-helix	trans	-57.8	-49.1	178	-175.5	0	0	0	0	110.9	F696 L697 L703 V704	F696-S700 WeakPolarHBondContact O-CB 3.32Å; F696-S700 PolarHBondContact O-N 3.44Å; L697-S700 WeakPolarHBondContact O-CB 3.33Å; L697-S700 PolarHBondContact O-N 3.37Å; S700-L703 PolarHBondContact O-N 3.08Å; S700-V704 WeakPolarHBondContact O-CG2 3.45Å; S700-V704 PolarHBondContact O-N 2.97Å
701	H	88.9	Confident	86	Confident	20 Å²	20	64 Å²	64	9%	0.093	30%	0.302	C	S	.	.	H	α-helix	trans	-63.3	-43.7	176.4	-73.4	-56.8	0	0	0	112.7	E518 Q521 L697 Q698 R699 L703 V704 R705	E518-H701 VanDerWaalsContact CA-CE1 3.46Å; E518-H701 WeakPolarHBondContact CA-CE1 3.31Å; E518-H701 HydrophobicContact CG-CB 4.32Å; Q521-H701 PolarHBondContact OE1-CE1 3.26Å; Q521-H701 PolarHBondContact OE1-NE2 2.66Å; Q521-H701 VanDerWaalsContact OE1-NE2 3.12Å; L697-H701 VanDerWaalsContact CD1-NE2 3.33Å; L697-H701 WeakPolarHBondContact CD1-NE2 3.49Å; L697-H701 PolarHBondContact O-CD2 3.29Å; L697-H701 PolarHBondContact O-N 2.83Å; Q698-H701 PolarHBondContact O-N 3.43Å; R699-H701 PolarHBondContact O-N 3.49Å; H701-L703 VanDerWaalsContact C-N 3.3Å; H701-L703 PolarHBondContact O-N 2.72Å; H701-V704 PolarHBondContact O-N 2.95Å; H701-R705 VanDerWaalsContact O-CB 3.23Å; H701-R705 WeakPolarHBondContact O-CB 3.37Å; H701-R705 PolarHBondContact O-N 2.97Å
702	M	82.4	Confident	85.4	Confident	50 Å²	50	64.6 Å²	64.6	25%	0.246	30%	0.304	C	S	.	.	H	α-helix	trans	-59.5	-41.4	176.2	-178.8	-84.8	-70.4	0	0	111.6	Q698 R699 R705 H706 R808 L811	Q698-M702 VanDerWaalsContact O-CB 3.29Å; Q698-M702 WeakPolarHBondContact O-CB 3.09Å; Q698-M702 PolarHBondContact O-N 2.97Å; R699-M702 PolarHBondContact O-N 3.3Å; M702-R705 PolarHBondContact O-N 3.17Å; M702-H706 WeakPolarHBondContact O-CB 3.38Å; M702-H706 PolarHBondContact O-N 2.82Å; M702-R808 HydrophobicContact CE-CB 4.48Å; M702-R808 HydrophobicContact CE-CG 3.97Å; M702-R808 HydrophobicContact SD-CG 4.16Å; M702-L811 HydrophobicContact CE-CD2 3.56Å; M702-L811 HydrophobicContact CG-CD2 4.43Å
703	L	83.4	Confident	84.3	Confident	77 Å²	77	63.2 Å²	63.2	40%	0.403	30%	0.303	S	S	.	.	H	α-helix	trans	-65.1	-45.8	176.3	-72.9	173.2	0	0	0	112.1	R699 S700 H701 H706 Q707 R808	R699-L703 WeakPolarHBondContact O-CB 3.44Å; R699-L703 VanDerWaalsContact O-CG 3.27Å; R699-L703 WeakPolarHBondContact O-CG 3.3Å; R699-L703 PolarHBondContact O-N 3.05Å; S700-L703 PolarHBondContact O-N 3.08Å; H701-L703 VanDerWaalsContact C-N 3.3Å; H701-L703 PolarHBondContact O-N 2.72Å; L703-H706 PolarHBondContact O-N 3.12Å; L703-Q707 VanDerWaalsContact O-CB 3.29Å; L703-Q707 WeakPolarHBondContact O-CB 3.32Å; L703-Q707 PolarHBondContact O-N 3.09Å; L703-R808 VanDerWaalsContact CD2-CZ 3.47Å
704	V	84.9	Confident	83.6	Confident	62 Å²	62	67.3 Å²	67.3	38%	0.376	32%	0.32	S	S	.	.	H	α-helix	trans	-62.1	-45.9	176.8	171.9	0	0	0	0	110.7	L514 S700 H701 Q707 K708	L514-V704 HydrophobicContact CD1-CG1 4.29Å; L514-V704 HydrophobicContact CD2-CG1 3.87Å; S700-V704 WeakPolarHBondContact O-CG2 3.45Å; S700-V704 PolarHBondContact O-N 2.97Å; H701-V704 PolarHBondContact O-N 2.95Å; V704-Q707 PolarHBondContact O-N 3.23Å; V704-K708 PolarHBondContact O-N 3.3Å
705	R	81.2	Confident	83.1	Confident	132 Å²	132	69.9 Å²	69.9	50%	0.498	33%	0.328	S	S	.	.	H	α-helix	trans	-60.5	-49.2	177.1	-176.3	-179.7	172.8	160.6	4.2	111.2	M511 H701 M702 Q707 K708 E709	M511-R705 HydrophobicContact CE-CG 3.74Å; H701-R705 VanDerWaalsContact O-CB 3.23Å; H701-R705 WeakPolarHBondContact O-CB 3.37Å; H701-R705 PolarHBondContact O-N 2.97Å; M702-R705 PolarHBondContact O-N 3.17Å; R705-Q707 VanDerWaalsContact C-N 3.32Å; R705-Q707 PolarHBondContact O-N 3.13Å; R705-K708 PolarHBondContact O-N 3.48Å; R705-K708 VanDerWaalsContact O-N 3.14Å; R705-E709 IonicContact CZ-OE1 3.51Å; R705-E709 IonicContact NE-OE1 2.66Å; R705-E709 PolarHBondContact NE-OE1 3.15Å; R705-E709 IonicContact NH2-OE1 3.63Å; R705-E709 WeakPolarHBondContact O-CG 3.38Å; R705-E709 PolarHBondContact O-N 3.41Å
706	H	77.5	Confident	82.3	Confident	23 Å²	23	70.9 Å²	70.9	11%	0.106	34%	0.336	C	S	.	.	H	α-helix	trans	-62.8	-40.2	178.7	-172.8	65.4	0	0	0	111.8	M702 L703 K708 E709 L710	M702-H706 WeakPolarHBondContact O-CB 3.38Å; M702-H706 PolarHBondContact O-N 2.82Å; L703-H706 PolarHBondContact O-N 3.12Å; H706-K708 VanDerWaalsContact C-N 3.31Å; H706-K708 PolarHBondContact O-N 3.44Å; H706-E709 PolarHBondContact O-N 2.83Å; H706-L710 WeakPolarHBondContact NE2-CD1 3.33Å; H706-L710 WeakPolarHBondContact O-CB 3.06Å; H706-L710 WeakPolarHBondContact O-CG 3.41Å; H706-L710 PolarHBondContact O-N 3.13Å
707	Q	79.9	Confident	81.5	Confident	95 Å²	95	65.7 Å²	65.7	44%	0.444	31%	0.314	S	S	.	.	H	α-helix	trans	-60.8	-40.9	174.5	-175.6	58.9	43.8	0	0	111.4	L703 V704 R705 L710 E711	L703-Q707 VanDerWaalsContact O-CB 3.29Å; L703-Q707 WeakPolarHBondContact O-CB 3.32Å; L703-Q707 PolarHBondContact O-N 3.09Å; V704-Q707 PolarHBondContact O-N 3.23Å; R705-Q707 VanDerWaalsContact C-N 3.32Å; R705-Q707 PolarHBondContact O-N 3.13Å; Q707-L710 PolarHBondContact O-N 3.22Å; Q707-E711 WeakPolarHBondContact O-CG 3.32Å; Q707-E711 PolarHBondContact O-N 2.94Å
708	K	83.5	Confident	81	Confident	63 Å²	63	69.5 Å²	69.5	27%	0.274	33%	0.331	S	S	.	.	H	α-helix	trans	-67.6	-39.3	173.7	-71.3	-39.8	-170.7	-171.9	0	113.4	M511 L514 V704 R705 H706 L710 E711 H712	M511-K708 HydrophobicContact SD-CB 4.42Å; L514-K708 HydrophobicContact CD1-CB 4.35Å; L514-K708 HydrophobicContact CD1-CG 3.65Å; V704-K708 PolarHBondContact O-N 3.3Å; R705-K708 PolarHBondContact O-N 3.48Å; R705-K708 VanDerWaalsContact O-N 3.14Å; H706-K708 VanDerWaalsContact C-N 3.31Å; H706-K708 PolarHBondContact O-N 3.44Å; K708-L710 VanDerWaalsContact C-N 3.35Å; K708-E711 VanDerWaalsContact CD-OE2 3.31Å; K708-E711 WeakPolarHBondContact CD-OE2 3.05Å; K708-E711 VanDerWaalsContact NZ-CD 3.33Å; K708-E711 IonicContact NZ-OE1 3.42Å; K708-E711 PolarHBondContact NZ-OE1 3.13Å; K708-E711 VanDerWaalsContact NZ-OE1 3.1Å; K708-E711 IonicContact NZ-OE2 3.76Å; K708-E711 PolarHBondContact NZ-OE2 3.46Å; K708-E711 PolarHBondContact O-N 3.36Å; K708-H712 WeakPolarHBondContact O-CB 3.28Å; K708-H712 PolarHBondContact O-N 2.7Å
709	E	75.9	Confident	80.6	Confident	62 Å²	62	68.8 Å²	68.8	29%	0.29	33%	0.325	S	S	.	.	H	α-helix	trans	-62	-41.9	173.2	-73.1	174.2	-172.7	0	0	111.2	R705 H706 H712 V713	R705-E709 IonicContact CZ-OE1 3.51Å; R705-E709 IonicContact NE-OE1 2.66Å; R705-E709 PolarHBondContact NE-OE1 3.15Å; R705-E709 IonicContact NH2-OE1 3.63Å; R705-E709 WeakPolarHBondContact O-CG 3.38Å; R705-E709 PolarHBondContact O-N 3.41Å; H706-E709 PolarHBondContact O-N 2.83Å; E709-H712 WeakPolarHBondContact O-CB 3.26Å; E709-H712 PolarHBondContact O-N 2.72Å; E709-V713 VanDerWaalsContact O-CG2 3.31Å; E709-V713 WeakPolarHBondContact O-CG2 3.42Å; E709-V713 PolarHBondContact O-N 3.06Å
710	L	76.2	Confident	80.4	Confident	58 Å²	58	68.5 Å²	68.5	30%	0.304	33%	0.327	S	S	.	.	H	α-helix	trans	-65.5	-44.7	174.6	-73.6	176.1	0	0	0	112.4	H706 Q707 K708 H712 V713 K714	H706-L710 WeakPolarHBondContact NE2-CD1 3.33Å; H706-L710 WeakPolarHBondContact O-CB 3.06Å; H706-L710 WeakPolarHBondContact O-CG 3.41Å; H706-L710 PolarHBondContact O-N 3.13Å; Q707-L710 PolarHBondContact O-N 3.22Å; K708-L710 VanDerWaalsContact C-N 3.35Å; L710-H712 PolarHBondContact O-N 2.91Å; L710-V713 PolarHBondContact O-N 3.41Å; L710-K714 VanDerWaalsContact O-CB 3.27Å; L710-K714 WeakPolarHBondContact O-CB 3.39Å; L710-K714 PolarHBondContact O-N 3.41Å
711	E	80.9	Confident	79.9	Confident	64 Å²	64	69.6 Å²	69.6	30%	0.299	33%	0.327	S	S	.	.	H	α-helix	trans	-56.4	-40.1	172.2	-77.3	174.2	-156.7	0	0	111.1	Q707 K708 K715	Q707-E711 WeakPolarHBondContact O-CG 3.32Å; Q707-E711 PolarHBondContact O-N 2.94Å; K708-E711 VanDerWaalsContact CD-OE2 3.31Å; K708-E711 WeakPolarHBondContact CD-OE2 3.05Å; K708-E711 VanDerWaalsContact NZ-CD 3.33Å; K708-E711 IonicContact NZ-OE1 3.42Å; K708-E711 PolarHBondContact NZ-OE1 3.13Å; K708-E711 VanDerWaalsContact NZ-OE1 3.1Å; K708-E711 IonicContact NZ-OE2 3.76Å; K708-E711 PolarHBondContact NZ-OE2 3.46Å; K708-E711 PolarHBondContact O-N 3.36Å; E711-K715 VanDerWaalsContact O-CG 3.29Å; E711-K715 WeakPolarHBondContact O-CG 3.47Å; E711-K715 PolarHBondContact O-N 3.36Å
712	H	79	Confident	79.7	Confident	50 Å²	50	72.4 Å²	72.4	23%	0.231	34%	0.34	C	S	.	.	H	α-helix	trans	-67.2	-51.8	177.5	167.3	-94.3	0	0	0	112	E507 K708 E709 L710 K714 K715 V716	E507-H712 IonicContact OE1-CD2 3.77Å; E507-H712 PolarHBondContact OE1-CD2 2.87Å; E507-H712 IonicContact OE1-NE2 3.03Å; E507-H712 IonicContact OE2-CD2 3.62Å; E507-H712 PolarHBondContact OE2-CD2 2.86Å; E507-H712 VanDerWaalsContact OE2-CD2 3.22Å; E507-H712 IonicContact OE2-NE2 3.65Å; E507-H712 PolarHBondContact OE2-NE2 3.27Å; K708-H712 WeakPolarHBondContact O-CB 3.28Å; K708-H712 PolarHBondContact O-N 2.7Å; E709-H712 WeakPolarHBondContact O-CB 3.26Å; E709-H712 PolarHBondContact O-N 2.72Å; L710-H712 PolarHBondContact O-N 2.91Å; H712-K714 PolarHBondContact O-N 3.26Å; H712-K715 PolarHBondContact O-N 3.46Å; H712-V716 WeakPolarHBondContact NE2-CG2 3.32Å; H712-V716 WeakPolarHBondContact O-CG2 3.36Å; H712-V716 PolarHBondContact O-N 3.07Å
713	V	70.7	Confident	79.7	Confident	67 Å²	67	74.1 Å²	74.1	41%	0.406	35%	0.35	S	S	.	.	H	α-helix	trans	-55.3	-44.5	176.8	169.5	0	0	0	0	109.7	E709 L710 K715 V716 N717	E709-V713 VanDerWaalsContact O-CG2 3.31Å; E709-V713 WeakPolarHBondContact O-CG2 3.42Å; E709-V713 PolarHBondContact O-N 3.06Å; L710-V713 PolarHBondContact O-N 3.41Å; V713-K715 PolarHBondContact O-N 3.11Å; V713-V716 PolarHBondContact O-N 3.36Å; V713-N717 WeakPolarHBondContact CG1-ND2 3.43Å; V713-N717 WeakPolarHBondContact O-CB 3.25Å; V713-N717 PolarHBondContact O-N 3.39Å; V713-N717 PolarHBondContact O-ND2 3.19Å
714	K	79.4	Confident	79.6	Confident	154 Å²	154	70.6 Å²	70.6	67%	0.67	33%	0.332	S	S	*	.	H	α-helix	trans	-58.7	-46.1	174.6	-172.7	176	-178.9	176.6	0	112.6	L710 H712 N717 Q718	L710-K714 VanDerWaalsContact O-CB 3.27Å; L710-K714 WeakPolarHBondContact O-CB 3.39Å; L710-K714 PolarHBondContact O-N 3.41Å; H712-K714 PolarHBondContact O-N 3.26Å; K714-N717 PolarHBondContact O-N 3.33Å; K714-Q718 VanDerWaalsContact O-CB 3.27Å; K714-Q718 WeakPolarHBondContact O-CB 3.31Å; K714-Q718 PolarHBondContact O-N 3.46Å
715	K	82.2	Confident	79.7	Confident	117 Å²	117	71.3 Å²	71.3	51%	0.509	33%	0.333	S	S	.	.	H	α-helix	trans	-65.3	-38.9	176.9	-75.5	172.7	-177.1	175.9	0	112.8	E711 H712 V713 R719	E711-K715 VanDerWaalsContact O-CG 3.29Å; E711-K715 WeakPolarHBondContact O-CG 3.47Å; E711-K715 PolarHBondContact O-N 3.36Å; H712-K715 PolarHBondContact O-N 3.46Å; V713-K715 PolarHBondContact O-N 3.11Å; K715-R719 WeakPolarHBondContact O-CB 3.45Å; K715-R719 WeakPolarHBondContact O-CG 3.34Å; K715-R719 PolarHBondContact O-N 3.28Å; K715-R719 PolarHBondContact O-NE 2.94Å
716	V	74.6	Confident	79.9	Confident	39 Å²	39	71.3 Å²	71.3	24%	0.236	33%	0.333	C	S	.	.	H	α-helix	trans	-67.3	-44.3	176.5	170.1	0	0	0	0	110.4	H712 V713 R719 K720	H712-V716 WeakPolarHBondContact NE2-CG2 3.32Å; H712-V716 WeakPolarHBondContact O-CG2 3.36Å; H712-V716 PolarHBondContact O-N 3.07Å; V713-V716 PolarHBondContact O-N 3.36Å; V716-R719 WeakPolarHBondContact O-CB 3.44Å; V716-R719 PolarHBondContact O-N 3.21Å; V716-K720 HydrophobicContact CG1-CD 4.39Å; V716-K720 HydrophobicContact CG1-CG 4.49Å; V716-K720 WeakPolarHBondContact O-CG 3.21Å; V716-K720 PolarHBondContact O-N 3.36Å
717	N	76.4	Confident	80.2	Confident	20 Å²	20	71.7 Å²	71.7	11%	0.107	34%	0.34	C	S	.	.	H	α-helix	trans	-70.6	-36	-178.9	-64.7	-22.8	0	0	0	111.6	V713 K714 R719 K720 E721 N801	V713-N717 WeakPolarHBondContact CG1-ND2 3.43Å; V713-N717 WeakPolarHBondContact O-CB 3.25Å; V713-N717 PolarHBondContact O-N 3.39Å; V713-N717 PolarHBondContact O-ND2 3.19Å; K714-N717 PolarHBondContact O-N 3.33Å; N717-R719 VanDerWaalsContact C-N 3.35Å; N717-R719 PolarHBondContact O-N 2.84Å; N717-K720 PolarHBondContact O-N 3.04Å; N717-E721 WeakPolarHBondContact O-CB 3.04Å; N717-E721 PolarHBondContact O-N 3.01Å; N717-N801 PolarHBondContact ND2-OD1 3.18Å
718	Q	80.8	Confident	80.5	Confident	102 Å²	102	68.7 Å²	68.7	48%	0.477	33%	0.326	S	S	.	.	H	α-helix	trans	-59.7	-43.6	168.8	-174.7	176.3	5.1	0	0	111.7	K714 E721 E722	K714-Q718 VanDerWaalsContact O-CB 3.27Å; K714-Q718 WeakPolarHBondContact O-CB 3.31Å; K714-Q718 PolarHBondContact O-N 3.46Å; Q718-E721 WeakPolarHBondContact O-CB 3.34Å; Q718-E721 PolarHBondContact O-N 2.78Å; Q718-E722 WeakPolarHBondContact O-CG 3.5Å; Q718-E722 PolarHBondContact O-N 3.43Å
719	R	81.4	Confident	80.7	Confident	57 Å²	57	68.7 Å²	68.7	22%	0.215	33%	0.331	C	S	.	.	H	α-helix	trans	-63.5	-46	175.4	-77.9	-178.7	-85.2	-177.6	-4.2	112.4	E507 K715 V716 N717 E721 E722 D723	E507-R719 IonicContact OE1-NH2 2.59Å; E507-R719 PolarHBondContact OE1-NH2 3.27Å; K715-R719 WeakPolarHBondContact O-CB 3.45Å; K715-R719 WeakPolarHBondContact O-CG 3.34Å; K715-R719 PolarHBondContact O-N 3.28Å; K715-R719 PolarHBondContact O-NE 2.94Å; V716-R719 WeakPolarHBondContact O-CB 3.44Å; V716-R719 PolarHBondContact O-N 3.21Å; N717-R719 VanDerWaalsContact C-N 3.35Å; N717-R719 PolarHBondContact O-N 2.84Å; R719-E721 VanDerWaalsContact C-N 3.26Å; R719-E721 PolarHBondContact O-N 3.35Å; R719-E722 PolarHBondContact O-N 3.38Å; R719-D723 WeakPolarHBondContact O-CB 3.34Å; R719-D723 PolarHBondContact O-N 3.37Å
720	K	79.4	Confident	81.2	Confident	81 Å²	81	68.3 Å²	68.3	35%	0.352	34%	0.335	S	S	.	.	H	α-helix	trans	-57.6	-40.7	173.9	-73.6	177.6	177.8	174.9	0	111.4	V716 N717 A724 L797 E800	V716-K720 HydrophobicContact CG1-CD 4.39Å; V716-K720 HydrophobicContact CG1-CG 4.49Å; V716-K720 WeakPolarHBondContact O-CG 3.21Å; V716-K720 PolarHBondContact O-N 3.36Å; N717-K720 PolarHBondContact O-N 3.04Å; K720-A724 VanDerWaalsContact O-CB 3.26Å; K720-A724 WeakPolarHBondContact O-CB 3.05Å; K720-A724 PolarHBondContact O-N 2.84Å; K720-L797 HydrophobicContact CB-CD2 4.28Å; K720-L797 HydrophobicContact CD-CD2 4.23Å; K720-E800 IonicContact NZ-OE1 2.69Å; K720-E800 IonicContact NZ-OE2 2.68Å
721	E	79.9	Confident	81.7	Confident	69 Å²	69	68.5 Å²	68.5	32%	0.322	34%	0.335	S	S	.	.	H	α-helix	trans	-64	-47.7	176.2	-167.2	175.8	-167.6	0	0	110.9	N717 Q718 R719 D723 A724 I725 M794 R798	N717-E721 WeakPolarHBondContact O-CB 3.04Å; N717-E721 PolarHBondContact O-N 3.01Å; Q718-E721 WeakPolarHBondContact O-CB 3.34Å; Q718-E721 PolarHBondContact O-N 2.78Å; R719-E721 VanDerWaalsContact C-N 3.26Å; R719-E721 PolarHBondContact O-N 3.35Å; E721-D723 PolarHBondContact O-N 3.47Å; E721-A724 PolarHBondContact O-N 2.89Å; E721-I725 HydrophobicContact CG-CD1 4.11Å; E721-I725 VanDerWaalsContact O-CG1 3.22Å; E721-I725 WeakPolarHBondContact O-CG1 3.43Å; E721-I725 PolarHBondContact O-N 3.36Å; E721-M794 HydrophobicContact CG-CE 3.57Å; E721-R798 IonicContact OE1-NH2 3.72Å
722	E	83.5	Confident	82	Confident	79 Å²	79	72 Å²	72	37%	0.369	35%	0.345	S	S	.	.	H	α-helix	trans	-61.4	-43.4	175.7	-73.3	178.7	-163.2	0	0	113	Q718 R719 I725 R726	Q718-E722 WeakPolarHBondContact O-CG 3.5Å; Q718-E722 PolarHBondContact O-N 3.43Å; R719-E722 PolarHBondContact O-N 3.38Å; E722-I725 PolarHBondContact O-N 3.27Å; E722-R726 WeakPolarHBondContact O-CB 3.35Å; E722-R726 WeakPolarHBondContact O-CG 3.47Å; E722-R726 PolarHBondContact O-N 3.13Å; E722-R726 IonicContact OE2-CZ 3.28Å; E722-R726 IonicContact OE2-NH1 3.97Å; E722-R726 PolarHBondContact OE2-NH1 2.97Å; E722-R726 VanDerWaalsContact OE2-NH1 3.17Å; E722-R726 IonicContact OE2-NH2 3.91Å
723	D	82.5	Confident	82.4	Confident	85 Å²	85	76.8 Å²	76.8	46%	0.455	37%	0.365	S	S	.	.	H	α-helix	trans	-65.5	-39.9	176.5	-79.3	-34.4	0	0	0	111.9	R719 E721 I725 R726 A727	R719-D723 WeakPolarHBondContact O-CB 3.34Å; R719-D723 PolarHBondContact O-N 3.37Å; E721-D723 PolarHBondContact O-N 3.47Å; D723-I725 VanDerWaalsContact C-N 3.32Å; D723-I725 PolarHBondContact O-N 3.11Å; D723-R726 PolarHBondContact O-N 3.44Å; D723-R726 IonicContact OD1-CZ 3.72Å; D723-R726 VanDerWaalsContact OD1-CZ 3.24Å; D723-R726 IonicContact OD1-NE 3.7Å; D723-R726 PolarHBondContact OD1-NE 3.01Å; D723-R726 IonicContact OD1-NH2 2.94Å; D723-R726 PolarHBondContact OD1-NH2 3.03Å; D723-R726 IonicContact OD2-NH2 2.72Å; D723-A727 VanDerWaalsContact O-CB 3.23Å; D723-A727 WeakPolarHBondContact O-CB 3.49Å; D723-A727 PolarHBondContact O-N 2.85Å
724	A	82.1	Confident	83.3	Confident	4 Å²	4	81.9 Å²	81.9	3%	0.033	38%	0.377	C	S	.	.	H	α-helix	trans	-61.4	-42.7	172.9	0	0	0	0	0	111	K720 E721 Q728 M794 L797	K720-A724 VanDerWaalsContact O-CB 3.26Å; K720-A724 WeakPolarHBondContact O-CB 3.05Å; K720-A724 PolarHBondContact O-N 2.84Å; E721-A724 PolarHBondContact O-N 2.89Å; A724-Q728 WeakPolarHBondContact O-CB 3.22Å; A724-Q728 PolarHBondContact O-N 3.46Å; A724-M794 HydrophobicContact CB-SD 4.05Å; A724-L797 HydrophobicContact CB-CD1 3.99Å
725	I	86.5	Confident	83.8	Confident	76 Å²	76	76 Å²	76	39%	0.39	35%	0.353	S	S	.	.	H	α-helix	trans	-64.8	-44	175.5	-69	164.8	0	0	0	111.1	E721 E722 D723 Q728 T729 M794	E721-I725 HydrophobicContact CG-CD1 4.11Å; E721-I725 VanDerWaalsContact O-CG1 3.22Å; E721-I725 WeakPolarHBondContact O-CG1 3.43Å; E721-I725 PolarHBondContact O-N 3.36Å; E722-I725 PolarHBondContact O-N 3.27Å; D723-I725 VanDerWaalsContact C-N 3.32Å; D723-I725 PolarHBondContact O-N 3.11Å; I725-Q728 PolarHBondContact O-N 3.37Å; I725-T729 VanDerWaalsContact O-CB 3.31Å; I725-T729 WeakPolarHBondContact O-CB 3.4Å; I725-T729 PolarHBondContact O-N 3.36Å; I725-T729 PolarHBondContact O-OG1 3.45Å; I725-M794 HydrophobicContact CG1-CE 4.26Å
726	R	85	Confident	84	Confident	132 Å²	132	73.1 Å²	73.1	50%	0.498	35%	0.346	S	S	.	.	H	α-helix	trans	-61.9	-48.8	176.8	-77.5	-171.7	-77.1	-99	8.7	111.2	E722 D723 T729 S730	E722-R726 WeakPolarHBondContact O-CB 3.35Å; E722-R726 WeakPolarHBondContact O-CG 3.47Å; E722-R726 PolarHBondContact O-N 3.13Å; E722-R726 IonicContact OE2-CZ 3.28Å; E722-R726 IonicContact OE2-NH1 3.97Å; E722-R726 PolarHBondContact OE2-NH1 2.97Å; E722-R726 VanDerWaalsContact OE2-NH1 3.17Å; E722-R726 IonicContact OE2-NH2 3.91Å; D723-R726 PolarHBondContact O-N 3.44Å; D723-R726 IonicContact OD1-CZ 3.72Å; D723-R726 VanDerWaalsContact OD1-CZ 3.24Å; D723-R726 IonicContact OD1-NE 3.7Å; D723-R726 PolarHBondContact OD1-NE 3.01Å; D723-R726 IonicContact OD1-NH2 2.94Å; D723-R726 PolarHBondContact OD1-NH2 3.03Å; D723-R726 IonicContact OD2-NH2 2.72Å; R726-T729 PolarHBondContact O-N 2.93Å; R726-S730 PolarHBondContact O-N 3.41Å
727	A	84.4	Confident	84.8	Confident	31 Å²	31	78 Å²	78	26%	0.256	36%	0.364	S	S	.	.	H	α-helix	trans	-59.4	-50	176.6	0	0	0	0	0	110.8	D723 T729 S730 E731	D723-A727 VanDerWaalsContact O-CB 3.23Å; D723-A727 WeakPolarHBondContact O-CB 3.49Å; D723-A727 PolarHBondContact O-N 2.85Å; A727-T729 VanDerWaalsContact C-N 3.31Å; A727-T729 PolarHBondContact O-N 3.25Å; A727-S730 PolarHBondContact O-N 2.69Å; A727-S730 VanDerWaalsContact O-N 3.15Å; A727-S730 PolarHBondContact O-OG 3.28Å; A727-E731 WeakPolarHBondContact O-CG 3.43Å; A727-E731 PolarHBondContact O-N 3.35Å
728	Q	87.1	Confident	85.5	Confident	32 Å²	32	80.7 Å²	80.7	15%	0.15	38%	0.378	C	S	.	.	H	α-helix	trans	-56.4	-44	175.6	171.1	169.9	33.7	0	0	112	A724 I725 S730 E731 R732 H790	A724-Q728 WeakPolarHBondContact O-CB 3.22Å; A724-Q728 PolarHBondContact O-N 3.46Å; I725-Q728 PolarHBondContact O-N 3.37Å; Q728-S730 VanDerWaalsContact C-N 3.34Å; Q728-S730 PolarHBondContact O-N 2.89Å; Q728-E731 PolarHBondContact O-N 2.76Å; Q728-R732 HydrophobicContact CG-CG 4.4Å; Q728-R732 WeakPolarHBondContact O-CB 3.11Å; Q728-R732 VanDerWaalsContact O-CG 3.31Å; Q728-R732 WeakPolarHBondContact O-CG 3.4Å; Q728-R732 PolarHBondContact O-N 3.23Å; Q728-H790 HydrophobicContact CG-CB 4.33Å; Q728-H790 WeakPolarHBondContact CG-ND1 3.08Å; Q728-H790 VanDerWaalsContact NE2-CG 3.26Å; Q728-H790 PolarHBondContact NE2-ND1 3.38Å
729	T	87.1	Confident	86	Confident	64 Å²	64	76.3 Å²	76.3	39%	0.393	36%	0.358	S	S	.	.	H	α-helix	trans	-63.7	-41.4	178.6	-60.6	0	0	0	0	111.4	I725 R726 A727 K733	I725-T729 VanDerWaalsContact O-CB 3.31Å; I725-T729 WeakPolarHBondContact O-CB 3.4Å; I725-T729 PolarHBondContact O-N 3.36Å; I725-T729 PolarHBondContact O-OG1 3.45Å; R726-T729 PolarHBondContact O-N 2.93Å; A727-T729 VanDerWaalsContact C-N 3.31Å; A727-T729 PolarHBondContact O-N 3.25Å; T729-K733 WeakPolarHBondContact O-CG 3.4Å; T729-K733 PolarHBondContact O-N 3.37Å; T729-K733 VanDerWaalsContact O-N 3.16Å
730	S	85.3	Confident	86.4	Confident	53 Å²	53	81.7 Å²	81.7	37%	0.371	38%	0.378	S	S	.	.	H	α-helix	trans	-66.7	-41.2	176.9	80.6	0	0	0	0	112.1	R726 A727 Q728 K733 R734	R726-S730 PolarHBondContact O-N 3.41Å; A727-S730 PolarHBondContact O-N 2.69Å; A727-S730 VanDerWaalsContact O-N 3.15Å; A727-S730 PolarHBondContact O-OG 3.28Å; Q728-S730 VanDerWaalsContact C-N 3.34Å; Q728-S730 PolarHBondContact O-N 2.89Å; S730-K733 PolarHBondContact O-N 2.89Å; S730-R734 WeakPolarHBondContact O-CG 3.36Å; S730-R734 PolarHBondContact O-N 2.75Å
731	E	87.3	Confident	86.9	Confident	62 Å²	62	80.9 Å²	80.9	29%	0.29	38%	0.382	S	S	.	.	H	α-helix	trans	-65	-44.4	176	-74.2	-178.5	-172.2	0	0	111.2	A727 Q728 K733 R734 L735 Q786 H790	A727-E731 WeakPolarHBondContact O-CG 3.43Å; A727-E731 PolarHBondContact O-N 3.35Å; Q728-E731 PolarHBondContact O-N 2.76Å; E731-K733 PolarHBondContact O-N 2.75Å; E731-R734 PolarHBondContact O-N 2.86Å; E731-R734 VanDerWaalsContact O-N 3.11Å; E731-L735 VanDerWaalsContact O-CB 3.28Å; E731-L735 WeakPolarHBondContact O-CB 3.24Å; E731-L735 PolarHBondContact O-N 3.15Å; E731-Q786 PolarHBondContact OE2-NE2 2.65Å; E731-H790 IonicContact OE2-CD2 3.07Å; E731-H790 IonicContact OE2-CE1 2.84Å; E731-H790 IonicContact OE2-NE2 3.01Å; E731-H790 PolarHBondContact OE2-NE2 2.95Å
732	R	86.6	Confident	87.6	Confident	139 Å²	139	81.7 Å²	81.7	53%	0.525	39%	0.386	S	S	.	.	H	α-helix	trans	-58.2	-32.6	174.6	-78.5	179.4	173.2	-164.2	-4.3	112.4	Q728 P736	Q728-R732 HydrophobicContact CG-CG 4.4Å; Q728-R732 WeakPolarHBondContact O-CB 3.11Å; Q728-R732 VanDerWaalsContact O-CG 3.31Å; Q728-R732 WeakPolarHBondContact O-CG 3.4Å; Q728-R732 PolarHBondContact O-N 3.23Å; R732-P736 WeakPolarHBondContact O-CD 3.3Å; R732-P736 WeakPolarHBondContact O-CG 3.35Å
733	K	89	Confident	88	Confident	150 Å²	150	79.6 Å²	79.6	65%	0.652	38%	0.379	S	S	*	.	H	α-helix	trans	-78.6	-34	175.1	-71.9	177.4	-178.9	178.9	0	113.4	T729 S730 E731	T729-K733 WeakPolarHBondContact O-CG 3.4Å; T729-K733 PolarHBondContact O-N 3.37Å; T729-K733 VanDerWaalsContact O-N 3.16Å; S730-K733 PolarHBondContact O-N 2.89Å; E731-K733 PolarHBondContact O-N 2.75Å
734	R	89.9	Confident	88.5	Confident	174 Å²	174	82.5 Å²	82.5	66%	0.657	39%	0.388	S	S	*	.	H	α-helix	trans	-82.5	-41.8	-176.8	-74.5	178.8	174.8	-170	-0.3	112.7	S730 E731 K737 I738	S730-R734 WeakPolarHBondContact O-CG 3.36Å; S730-R734 PolarHBondContact O-N 2.75Å; E731-R734 PolarHBondContact O-N 2.86Å; E731-R734 VanDerWaalsContact O-N 3.11Å; R734-K737 WeakPolarHBondContact O-CA 3.39Å; R734-K737 WeakPolarHBondContact O-CB 3.4Å; R734-K737 PolarHBondContact O-N 2.89Å; R734-I738 HydrophobicContact CB-CD1 4.48Å; R734-I738 PolarHBondContact O-N 2.85Å; R734-I738 VanDerWaalsContact O-N 3.1Å
735	L	88.3	Confident	88.9	Confident	31 Å²	31	86 Å²	86	16%	0.162	41%	0.409	C	S	.	.	H	α-helix	trans	-56.8	-44.4	-173.1	-178.5	62.9	0	0	0	113.2	E731 K737 I738 L739 L783 Q786	E731-L735 VanDerWaalsContact O-CB 3.28Å; E731-L735 WeakPolarHBondContact O-CB 3.24Å; E731-L735 PolarHBondContact O-N 3.15Å; L735-K737 PolarHBondContact O-N 3.35Å; L735-I738 PolarHBondContact O-N 2.93Å; L735-L739 HydrophobicContact CD1-CD1 4.02Å; L735-L739 HydrophobicContact CD1-CD2 4.39Å; L735-L739 HydrophobicContact CD1-CG 3.94Å; L735-L739 HydrophobicContact CG-CD1 3.83Å; L735-L739 HydrophobicContact CG-CG 4.21Å; L735-L739 WeakPolarHBondContact O-CB 3.19Å; L735-L739 WeakPolarHBondContact O-CG 3.44Å; L735-L739 PolarHBondContact O-N 3.26Å; L735-L783 HydrophobicContact CD2-CD2 3.81Å; L735-L783 HydrophobicContact CG-CD2 4.21Å; L735-Q786 HydrophobicContact CD2-CB 3.92Å; L735-Q786 HydrophobicContact CD2-CG 3.9Å
736	P	87.7	Confident	89.2	Confident	56 Å²	56	88.4 Å²	88.4	36%	0.364	41%	0.413	S	S	.	.	H	α-helix	trans	-64.2	-24.3	175.6	-23.5	34.9	0	0	0	114.3	R732 R740	R732-P736 WeakPolarHBondContact O-CD 3.3Å; R732-P736 WeakPolarHBondContact O-CG 3.35Å; P736-R740 WeakPolarHBondContact O-CB 3.35Å; P736-R740 VanDerWaalsContact O-CG 3.26Å; P736-R740 WeakPolarHBondContact O-CG 3.47Å; P736-R740 PolarHBondContact O-N 2.55Å; P736-R740 PolarHBondContact O-NE 2.95Å; P736-R740 VanDerWaalsContact O-NE 3.13Å
737	K	90.5	Very high	89.5	Confident	140 Å²	140	83.2 Å²	83.2	61%	0.609	40%	0.396	S	S	*	.	H	α-helix	trans	-75.3	-45.2	174.4	-62.8	-177.1	179.7	-176.4	0	110.4	R734 L735 R740 S741	R734-K737 WeakPolarHBondContact O-CA 3.39Å; R734-K737 WeakPolarHBondContact O-CB 3.4Å; R734-K737 PolarHBondContact O-N 2.89Å; L735-K737 PolarHBondContact O-N 3.35Å; K737-R740 PolarHBondContact O-N 2.68Å; K737-S741 PolarHBondContact O-N 3.09Å; K737-S741 VanDerWaalsContact O-N 3.09Å; K737-S741 PolarHBondContact O-OG 3.19Å
738	I	90.5	Very high	89.9	Confident	78 Å²	78	86.7 Å²	86.7	40%	0.4	41%	0.408	S	S	.	.	H	α-helix	trans	-61.4	-49	177.4	-63.6	169.5	0	0	0	110.5	R734 L735 R740 S741 E742	R734-I738 HydrophobicContact CB-CD1 4.48Å; R734-I738 PolarHBondContact O-N 2.85Å; R734-I738 VanDerWaalsContact O-N 3.1Å; L735-I738 PolarHBondContact O-N 2.93Å; I738-R740 VanDerWaalsContact C-N 3.27Å; I738-R740 PolarHBondContact O-N 3.34Å; I738-S741 WeakPolarHBondContact CA-OG 3.44Å; I738-S741 PolarHBondContact O-N 3.12Å; I738-S741 VanDerWaalsContact O-N 3.12Å; I738-S741 PolarHBondContact O-OG 2.84Å; I738-E742 HydrophobicContact CG2-CG 4.35Å; I738-E742 WeakPolarHBondContact CG2-OE1 3.5Å; I738-E742 WeakPolarHBondContact O-CG 3.49Å; I738-E742 PolarHBondContact O-N 3.25Å
739	L	91.4	Very high	90	Very high	9 Å²	9	91.5 Å²	91.5	5%	0.047	43%	0.432	C	S	.	.	H	α-helix	trans	-60.4	-36.5	178.6	-68.7	174.3	0	0	0	111.9	L735 T743 I779 E782 L783	L735-L739 HydrophobicContact CD1-CD1 4.02Å; L735-L739 HydrophobicContact CD1-CD2 4.39Å; L735-L739 HydrophobicContact CD1-CG 3.94Å; L735-L739 HydrophobicContact CG-CD1 3.83Å; L735-L739 HydrophobicContact CG-CG 4.21Å; L735-L739 WeakPolarHBondContact O-CB 3.19Å; L735-L739 WeakPolarHBondContact O-CG 3.44Å; L735-L739 PolarHBondContact O-N 3.26Å; L739-T743 VanDerWaalsContact O-CB 3.26Å; L739-T743 WeakPolarHBondContact O-CB 3.32Å; L739-T743 PolarHBondContact O-N 3.11Å; L739-T743 PolarHBondContact O-OG1 3.45Å; L739-I779 HydrophobicContact CD1-CG2 4.19Å; L739-E782 HydrophobicContact CD2-CB 4.49Å; L739-E782 HydrophobicContact CD2-CG 4.34Å; L739-L783 HydrophobicContact CD1-CD2 3.89Å; L739-L783 HydrophobicContact CD1-CG 4.03Å
740	R	90.3	Very high	90.2	Very high	170 Å²	170	90.6 Å²	90.6	64%	0.642	42%	0.423	S	S	*	.	H	α-helix	trans	-66	-43.4	174.1	-79.9	-174.6	-69.3	162.9	-7.6	112.9	P736 K737 I738 T743 K744	P736-R740 WeakPolarHBondContact O-CB 3.35Å; P736-R740 VanDerWaalsContact O-CG 3.26Å; P736-R740 WeakPolarHBondContact O-CG 3.47Å; P736-R740 PolarHBondContact O-N 2.55Å; P736-R740 PolarHBondContact O-NE 2.95Å; P736-R740 VanDerWaalsContact O-NE 3.13Å; K737-R740 PolarHBondContact O-N 2.68Å; I738-R740 VanDerWaalsContact C-N 3.27Å; I738-R740 PolarHBondContact O-N 3.34Å; R740-T743 PolarHBondContact O-N 2.99Å; R740-K744 PolarHBondContact O-N 3.13Å
741	S	91.3	Very high	90.4	Very high	64 Å²	64	94.1 Å²	94.1	45%	0.448	43%	0.428	S	S	.	.	H	α-helix	trans	-66.5	-39.8	176.6	46.1	0	0	0	0	112.5	K737 I738 K744 T745	K737-S741 PolarHBondContact O-N 3.09Å; K737-S741 VanDerWaalsContact O-N 3.09Å; K737-S741 PolarHBondContact O-OG 3.19Å; I738-S741 WeakPolarHBondContact CA-OG 3.44Å; I738-S741 PolarHBondContact O-N 3.12Å; I738-S741 VanDerWaalsContact O-N 3.12Å; I738-S741 PolarHBondContact O-OG 2.84Å; S741-K744 PolarHBondContact O-N 3.22Å; S741-T745 PolarHBondContact O-N 2.87Å; S741-T745 PolarHBondContact O-OG1 3.26Å
742	E	92.8	Very high	90.4	Very high	86 Å²	86	95.7 Å²	95.7	40%	0.402	44%	0.435	S	S	.	.	H	α-helix	trans	-64.4	-46.8	174.9	-74.3	-179.8	-170	0	0	111.1	I738 K744 T745 R746	I738-E742 HydrophobicContact CG2-CG 4.35Å; I738-E742 WeakPolarHBondContact CG2-OE1 3.5Å; I738-E742 WeakPolarHBondContact O-CG 3.49Å; I738-E742 PolarHBondContact O-N 3.25Å; E742-K744 VanDerWaalsContact C-N 3.31Å; E742-K744 PolarHBondContact O-N 3.25Å; E742-T745 PolarHBondContact O-N 3.16Å; E742-T745 VanDerWaalsContact O-N 3.16Å; E742-R746 WeakPolarHBondContact O-CB 3.49Å; E742-R746 VanDerWaalsContact O-CG 3.31Å; E742-R746 WeakPolarHBondContact O-CG 3.21Å; E742-R746 PolarHBondContact O-N 2.96Å
743	T	93.2	Very high	90.4	Very high	36 Å²	36	91.1 Å²	91.1	22%	0.221	43%	0.425	C	S	.	.	H	α-helix	trans	-53.9	-49.7	175.5	-61.3	0	0	0	0	110.3	L739 R740 T745 R746 T747 E775 I779	L739-T743 VanDerWaalsContact O-CB 3.26Å; L739-T743 WeakPolarHBondContact O-CB 3.32Å; L739-T743 PolarHBondContact O-N 3.11Å; L739-T743 PolarHBondContact O-OG1 3.45Å; R740-T743 PolarHBondContact O-N 2.99Å; T743-T745 VanDerWaalsContact C-N 3.35Å; T743-T745 PolarHBondContact O-N 2.93Å; T743-R746 PolarHBondContact O-N 3.13Å; T743-T747 WeakPolarHBondContact O-CB 3.38Å; T743-T747 PolarHBondContact O-N 2.86Å; T743-T747 PolarHBondContact O-OG1 3.37Å; T743-E775 HydrophobicContact CG2-CG 3.98Å; T743-I779 WeakPolarHBondContact OG1-CD1 3.45Å
744	K	93.1	Very high	90.3	Very high	146 Å²	146	84.7 Å²	84.7	64%	0.635	40%	0.397	S	S	*	.	H	α-helix	trans	-58.6	-46.6	178.9	-169.6	-179.2	-177.5	-177.6	0	111.8	R740 S741 E742 T747 M748	R740-K744 PolarHBondContact O-N 3.13Å; S741-K744 PolarHBondContact O-N 3.22Å; E742-K744 VanDerWaalsContact C-N 3.31Å; E742-K744 PolarHBondContact O-N 3.25Å; K744-T747 PolarHBondContact O-N 3.34Å; K744-M748 WeakPolarHBondContact O-CG 3.35Å; K744-M748 PolarHBondContact O-N 3.36Å
745	T	90.3	Very high	90	Very high	77 Å²	77	83.1 Å²	83.1	47%	0.472	40%	0.395	S	S	.	.	H	α-helix	trans	-61.5	-45.3	179.2	-54.9	0	0	0	0	111	S741 E742 T743 M748 M749	S741-T745 PolarHBondContact O-N 2.87Å; S741-T745 PolarHBondContact O-OG1 3.26Å; E742-T745 PolarHBondContact O-N 3.16Å; E742-T745 VanDerWaalsContact O-N 3.16Å; T743-T745 VanDerWaalsContact C-N 3.35Å; T743-T745 PolarHBondContact O-N 2.93Å; T745-M748 PolarHBondContact O-N 3.13Å; T745-M749 WeakPolarHBondContact O-CG 3.36Å; T745-M749 PolarHBondContact O-N 2.96Å
746	R	92.5	Very high	89.6	Confident	126 Å²	126	88.4 Å²	88.4	48%	0.475	42%	0.422	S	S	.	.	H	α-helix	trans	-71.3	-37.4	-179.1	-68.6	-173.3	66.9	114.3	-11.6	113.2	E742 T743 M748 M749 F750 F771 E775 R778	E742-R746 WeakPolarHBondContact O-CB 3.49Å; E742-R746 VanDerWaalsContact O-CG 3.31Å; E742-R746 WeakPolarHBondContact O-CG 3.21Å; E742-R746 PolarHBondContact O-N 2.96Å; T743-R746 PolarHBondContact O-N 3.13Å; R746-M748 VanDerWaalsContact C-N 3.31Å; R746-M748 PolarHBondContact O-N 3.45Å; R746-M749 PolarHBondContact O-N 3.01Å; R746-F750 WeakPolarHBondContact O-CB 3.48Å; R746-F750 PolarHBondContact O-N 3.33Å; R746-F771 HydrophobicContact CB-CZ 4.14Å; R746-E775 IonicContact NE-OE1 2.75Å; R746-R778 VanDerWaalsContact CD-NH1 3.34Å
747	T	92	Very high	89	Confident	23 Å²	23	94.5 Å²	94.5	14%	0.141	44%	0.438	C	S	.	.	H	α-helix	trans	-61.1	-41.1	171.2	-58.1	0	0	0	0	111	T743 K744 F750 R751	T743-T747 WeakPolarHBondContact O-CB 3.38Å; T743-T747 PolarHBondContact O-N 2.86Å; T743-T747 PolarHBondContact O-OG1 3.37Å; K744-T747 PolarHBondContact O-N 3.34Å; T747-F750 PolarHBondContact O-N 3.36Å; T747-R751 WeakPolarHBondContact O-CB 3.5Å; T747-R751 VanDerWaalsContact O-CG 3.29Å; T747-R751 WeakPolarHBondContact O-CG 3.44Å; T747-R751 PolarHBondContact O-N 2.91Å
748	M	91.7	Very high	88.3	Confident	105 Å²	105	96.4 Å²	96.4	52%	0.517	45%	0.451	S	S	.	.	H	α-helix	trans	-63.6	-48.6	174.9	-72.9	-165.6	-58.3	0	0	111.7	K744 T745 R746 F750 R751 E752	K744-M748 WeakPolarHBondContact O-CG 3.35Å; K744-M748 PolarHBondContact O-N 3.36Å; T745-M748 PolarHBondContact O-N 3.13Å; R746-M748 VanDerWaalsContact C-N 3.31Å; R746-M748 PolarHBondContact O-N 3.45Å; M748-F750 VanDerWaalsContact C-N 3.31Å; M748-F750 PolarHBondContact O-N 3.49Å; M748-R751 PolarHBondContact O-N 3.35Å; M748-E752 PolarHBondContact O-N 3.05Å
749	M	89.7	Confident	87.5	Confident	132 Å²	132	94.8 Å²	94.8	65%	0.65	44%	0.443	S	S	*	.	H	α-helix	trans	-59.7	-41	176.9	-69.7	-66.2	-71.1	0	0	112.3	T745 R746 E752 S753	T745-M749 WeakPolarHBondContact O-CG 3.36Å; T745-M749 PolarHBondContact O-N 2.96Å; R746-M749 PolarHBondContact O-N 3.01Å; M749-E752 PolarHBondContact O-N 2.92Å; M749-S753 WeakPolarHBondContact O-CB 3.22Å; M749-S753 PolarHBondContact O-N 2.82Å
750	F	91.2	Very high	87	Confident	46 Å²	46	100 Å²	100	20%	0.202	47%	0.471	C	S	.	.	H	α-helix	trans	-66.2	-42.3	177.4	-173.6	-109.5	0	0	0	111.5	R746 T747 M748 E752 S753 L754 K767 L768 F771	R746-F750 WeakPolarHBondContact O-CB 3.48Å; R746-F750 PolarHBondContact O-N 3.33Å; T747-F750 PolarHBondContact O-N 3.36Å; M748-F750 VanDerWaalsContact C-N 3.31Å; M748-F750 PolarHBondContact O-N 3.49Å; F750-E752 PolarHBondContact O-N 3.27Å; F750-S753 WeakPolarHBondContact CA-OG 3.44Å; F750-S753 PolarHBondContact O-N 3.14Å; F750-S753 VanDerWaalsContact O-N 3.15Å; F750-S753 PolarHBondContact O-OG 3.35Å; F750-L754 HydrophobicContact CD1-CD1 3.91Å; F750-L754 HydrophobicContact CD1-CG 4.32Å; F750-L754 HydrophobicContact CE1-CD1 3.57Å; F750-L754 HydrophobicContact CE1-CD2 4.31Å; F750-L754 HydrophobicContact CE1-CG 4.01Å; F750-L754 HydrophobicContact CZ-CD1 4.2Å; F750-L754 HydrophobicContact CZ-CD2 4.1Å; F750-L754 HydrophobicContact CZ-CG 4.21Å; F750-L754 WeakPolarHBondContact O-CG 3.34Å; F750-L754 PolarHBondContact O-N 2.98Å; F750-K767 HydrophobicContact CZ-CB 4.44Å; F750-L768 HydrophobicContact CD1-CD1 4.22Å; F750-L768 HydrophobicContact CE1-CD1 4.48Å; F750-F771 HydrophobicContact CB-CD1 4.33Å; F750-F771 HydrophobicContact CB-CD2 3.94Å; F750-F771 HydrophobicContact CB-CE1 4.1Å; F750-F771 HydrophobicContact CB-CE2 3.66Å; F750-F771 HydrophobicContact CB-CG 4.27Å; F750-F771 HydrophobicContact CB-CZ 3.75Å; F750-F771 HydrophobicContact CD1-CB 3.65Å; F750-F771 AromaticContact CD1-CD1 3.83Å; F750-F771 HydrophobicContact CD1-CD1 3.83Å; F750-F771 AromaticContact CD1-CD2 3.68Å; F750-F771 HydrophobicContact CD1-CD2 3.68Å; F750-F771 HydrophobicContact CD1-CE1 4.44Å; F750-F771 HydrophobicContact CD1-CE2 4.29Å; F750-F771 AromaticContact CD1-CG 3.42Å; F750-F771 HydrophobicContact CD1-CG 3.42Å; F750-F771 VanDerWaalsContact CD1-CG 3.42Å; F750-F771 AromaticContact CD2-CD2 3.56Å; F750-F771 HydrophobicContact CD2-CD2 3.56Å; F750-F771 AromaticContact CD2-CE2 3.91Å; F750-F771 HydrophobicContact CD2-CE2 3.91Å; F750-F771 HydrophobicContact CD2-CG 4.18Å; F750-F771 HydrophobicContact CE1-CB 3.34Å; F750-F771 HydrophobicContact CE1-CD1 4.41Å; F750-F771 HydrophobicContact CE1-CD2 4.01Å; F750-F771 AromaticContact CE1-CG 3.67Å; F750-F771 HydrophobicContact CE1-CG 3.67Å; F750-F771 HydrophobicContact CE2-CB 4.4Å; F750-F771 AromaticContact CE2-CD2 3.9Å; F750-F771 HydrophobicContact CE2-CD2 3.9Å; F750-F771 HydrophobicContact CE2-CG 4.4Å; F750-F771 HydrophobicContact CG-CB 4.3Å; F750-F771 HydrophobicContact CG-CD1 4.17Å; F750-F771 AromaticContact CG-CD2 3.43Å; F750-F771 HydrophobicContact CG-CD2 3.43Å; F750-F771 VanDerWaalsContact CG-CD2 3.43Å; F750-F771 HydrophobicContact CG-CE1 4.4Å; F750-F771 AromaticContact CG-CE2 3.69Å; F750-F771 HydrophobicContact CG-CE2 3.69Å; F750-F771 AromaticContact CG-CG 3.69Å; F750-F771 HydrophobicContact CG-CG 3.69Å; F750-F771 HydrophobicContact CG-CZ 4.18Å; F750-F771 HydrophobicContact CZ-CB 3.76Å; F750-F771 HydrophobicContact CZ-CD2 4.11Å; F750-F771 HydrophobicContact CZ-CG 4.16Å
751	R	89.1	Confident	86.4	Confident	126 Å²	126	97.1 Å²	97.1	48%	0.475	47%	0.474	S	S	.	.	H	α-helix	trans	-59.5	-44.5	173.7	-76.5	176.8	175.6	176	-0	112.1	T747 M748 S753 L754 K755 L768	T747-R751 WeakPolarHBondContact O-CB 3.5Å; T747-R751 VanDerWaalsContact O-CG 3.29Å; T747-R751 WeakPolarHBondContact O-CG 3.44Å; T747-R751 PolarHBondContact O-N 2.91Å; M748-R751 PolarHBondContact O-N 3.35Å; R751-S753 VanDerWaalsContact C-N 3.33Å; R751-S753 PolarHBondContact O-N 3.09Å; R751-L754 PolarHBondContact O-N 3.25Å; R751-K755 WeakPolarHBondContact O-CG 3.31Å; R751-K755 PolarHBondContact O-N 2.96Å; R751-L768 HydrophobicContact CG-CD1 4.24Å
752	E	87.1	Confident	85.9	Confident	96 Å²	96	96.7 Å²	96.7	45%	0.449	48%	0.48	S	S	.	.	H	α-helix	trans	-61.1	-42.1	173.5	-70.1	-54	138.3	0	0	111.7	M748 M749 F750 L754 K755 I756	M748-E752 PolarHBondContact O-N 3.05Å; M749-E752 PolarHBondContact O-N 2.92Å; F750-E752 PolarHBondContact O-N 3.27Å; E752-L754 VanDerWaalsContact C-N 3.28Å; E752-L754 PolarHBondContact O-N 3.15Å; E752-K755 WeakPolarHBondContact O-CB 3.43Å; E752-K755 PolarHBondContact O-N 3.14Å; E752-K755 IonicContact OE1-NZ 2.68Å; E752-K755 PolarHBondContact OE1-NZ 3.49Å; E752-K755 WeakPolarHBondContact OE2-CD 3.38Å; E752-K755 IonicContact OE2-NZ 3.48Å; E752-K755 PolarHBondContact OE2-NZ 2.97Å; E752-I756 PolarHBondContact O-N 2.97Å
753	S	87.4	Confident	85.5	Confident	43 Å²	43	96.5 Å²	96.5	30%	0.301	48%	0.482	S	S	.	.	H	α-helix	trans	-63.5	-32	177.5	80.1	0	0	0	0	113.7	M749 F750 R751	M749-S753 WeakPolarHBondContact O-CB 3.22Å; M749-S753 PolarHBondContact O-N 2.82Å; F750-S753 WeakPolarHBondContact CA-OG 3.44Å; F750-S753 PolarHBondContact O-N 3.14Å; F750-S753 VanDerWaalsContact O-N 3.15Å; F750-S753 PolarHBondContact O-OG 3.35Å; R751-S753 VanDerWaalsContact C-N 3.33Å; R751-S753 PolarHBondContact O-N 3.09Å
754	L	86.4	Confident	85.1	Confident	15 Å²	15	97.1 Å²	97.1	8%	0.079	49%	0.485	C	S	.	.	H	α-helix	trans	-71	-37	175.7	-71.9	175.4	0	0	0	111.8	F750 R751 E752 I756 R757 L759 V764 K767	F750-L754 HydrophobicContact CD1-CD1 3.91Å; F750-L754 HydrophobicContact CD1-CG 4.32Å; F750-L754 HydrophobicContact CE1-CD1 3.57Å; F750-L754 HydrophobicContact CE1-CD2 4.31Å; F750-L754 HydrophobicContact CE1-CG 4.01Å; F750-L754 HydrophobicContact CZ-CD1 4.2Å; F750-L754 HydrophobicContact CZ-CD2 4.1Å; F750-L754 HydrophobicContact CZ-CG 4.21Å; F750-L754 WeakPolarHBondContact O-CG 3.34Å; F750-L754 PolarHBondContact O-N 2.98Å; R751-L754 PolarHBondContact O-N 3.25Å; E752-L754 VanDerWaalsContact C-N 3.28Å; E752-L754 PolarHBondContact O-N 3.15Å; L754-I756 PolarHBondContact O-N 3.23Å; L754-R757 PolarHBondContact O-N 3.23Å; L754-R757 VanDerWaalsContact O-N 3.11Å; L754-L759 HydrophobicContact CD2-CD1 3.76Å; L754-V764 HydrophobicContact CD1-CG1 4.33Å; L754-K767 HydrophobicContact CD2-CB 4.28Å; L754-K767 HydrophobicContact CD2-CD 4.13Å
755	K	83.2	Confident	84.7	Confident	141 Å²	141	92.3 Å²	92.3	61%	0.613	47%	0.473	S	S	*	.	H	α-helix	trans	-58.7	-36.3	175.9	-68.4	175.4	-175.7	173.9	0	111.9	R751 E752 R757	R751-K755 WeakPolarHBondContact O-CG 3.31Å; R751-K755 PolarHBondContact O-N 2.96Å; E752-K755 WeakPolarHBondContact O-CB 3.43Å; E752-K755 PolarHBondContact O-N 3.14Å; E752-K755 IonicContact OE1-NZ 2.68Å; E752-K755 PolarHBondContact OE1-NZ 3.49Å; E752-K755 WeakPolarHBondContact OE2-CD 3.38Å; E752-K755 IonicContact OE2-NZ 3.48Å; E752-K755 PolarHBondContact OE2-NZ 2.97Å; K755-R757 VanDerWaalsContact C-N 3.31Å; K755-R757 PolarHBondContact O-N 3.34Å
756	I	80	Confident	84.6	Confident	141 Å²	141	91.3 Å²	91.3	72%	0.723	47%	0.472	S	S	*	.	H	α-helix	trans	-68.1	-30.5	179.3	-61	169.6	0	0	0	111.8	E752 L754 M758	E752-I756 PolarHBondContact O-N 2.97Å; L754-I756 PolarHBondContact O-N 3.23Å; I756-M758 PolarHBondContact O-N 3.38Å
757	R	76.2	Confident	84.4	Confident	184 Å²	184	88.5 Å²	88.5	69%	0.694	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	4	-171.2	-70.5	-174	-174.1	-169.2	2.2	115.5	L754 K755 L759	L754-R757 PolarHBondContact O-N 3.23Å; L754-R757 VanDerWaalsContact O-N 3.11Å; K755-R757 VanDerWaalsContact C-N 3.31Å; K755-R757 PolarHBondContact O-N 3.34Å; R757-L759 VanDerWaalsContact C-N 3.29Å; R757-L759 HydrophobicContact CB-CD1 3.94Å; R757-L759 HydrophobicContact CB-CG 4.13Å; R757-L759 PolarHBondContact O-N 3.14Å; R757-L759 VanDerWaalsContact O-N 3.17Å
758	M	74.2	Confident	84.3	Confident	180 Å²	180	89.1 Å²	89.1	89%	0.887	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	41.8	50.1	179	-60.4	-152.4	77.7	0	0	114.4	I756	I756-M758 PolarHBondContact O-N 3.38Å
759	L	74.2	Confident	84.2	Confident	44 Å²	44	92.3 Å²	92.3	23%	0.23	47%	0.472	C	S	.	.			trans	-84.3	152.4	-179	-73	156.9	0	0	0	112	L754 R757 V764 K767	L754-L759 HydrophobicContact CD2-CD1 3.76Å; R757-L759 VanDerWaalsContact C-N 3.29Å; R757-L759 HydrophobicContact CB-CD1 3.94Å; R757-L759 HydrophobicContact CB-CG 4.13Å; R757-L759 PolarHBondContact O-N 3.14Å; R757-L759 VanDerWaalsContact O-N 3.17Å; L759-V764 HydrophobicContact CB-CG2 3.77Å; L759-K767 HydrophobicContact CD1-CD 3.83Å
760	D	80.7	Confident	84.2	Confident	118 Å²	118	90.1 Å²	90.1	63%	0.631	46%	0.461	S	S	*	.			trans	-64.4	148	174.3	-76.9	-33.9	0	0	0	112.1	G762 D763 V764	D760-G762 VanDerWaalsContact C-N 3.27Å; D760-G762 PolarHBondContact O-N 3.39Å; D760-G762 VanDerWaalsContact O-N 3.15Å; D760-D763 WeakPolarHBondContact O-CB 3.44Å; D760-D763 PolarHBondContact O-N 2.82Å; D760-V764 WeakPolarHBondContact O-CG2 3.36Å; D760-V764 PolarHBondContact O-N 3.48Å
761	P	77.8	Confident	84.3	Confident	110 Å²	110	89 Å²	89	71%	0.714	46%	0.456	S	S	*	.	H	α-helix	trans	-55.7	-35.7	-175.5	-26.8	34.3	0	0	0	114.8	V764 A765	P761-V764 PolarHBondContact O-N 3.02Å; P761-A765 PolarHBondContact O-N 3.35Å; P761-A765 VanDerWaalsContact O-N 3.16Å
762	G	80.2	Confident	84.4	Confident	55 Å²	55	86.8 Å²	86.8	57%	0.567	45%	0.45	S	S	*	.	H	α-helix	trans	-66	-42.1	176.3	0	0	0	0	0	112.8	D760 A765 A766	D760-G762 VanDerWaalsContact C-N 3.27Å; D760-G762 PolarHBondContact O-N 3.39Å; D760-G762 VanDerWaalsContact O-N 3.15Å; G762-A765 PolarHBondContact O-N 3.03Å; G762-A766 PolarHBondContact O-N 3.41Å; G762-A766 VanDerWaalsContact O-N 3.09Å
763	D	84.7	Confident	84.7	Confident	82 Å²	82	88.5 Å²	88.5	44%	0.439	46%	0.458	S	S	.	.	H	α-helix	trans	-69.2	-36.1	176.4	-73.6	-13.6	0	0	0	112	D760 A765 A766 K767	D760-D763 WeakPolarHBondContact O-CB 3.44Å; D760-D763 PolarHBondContact O-N 2.82Å; D763-A765 VanDerWaalsContact C-N 3.34Å; D763-A766 PolarHBondContact O-N 2.83Å; D763-K767 VanDerWaalsContact O-CB 3.32Å; D763-K767 WeakPolarHBondContact O-CB 3.42Å; D763-K767 VanDerWaalsContact O-CG 3.31Å; D763-K767 WeakPolarHBondContact O-CG 3.26Å; D763-K767 PolarHBondContact O-N 3.36Å
764	V	84.4	Confident	85	Confident	49 Å²	49	93.2 Å²	93.2	30%	0.297	47%	0.47	S	S	.	.	H	α-helix	trans	-59.9	-45.8	174.2	172.5	0	0	0	0	110.3	L754 L759 D760 P761 L768	L754-V764 HydrophobicContact CD1-CG1 4.33Å; L759-V764 HydrophobicContact CB-CG2 3.77Å; D760-V764 WeakPolarHBondContact O-CG2 3.36Å; D760-V764 PolarHBondContact O-N 3.48Å; P761-V764 PolarHBondContact O-N 3.02Å; V764-L768 VanDerWaalsContact O-CB 3.3Å; V764-L768 WeakPolarHBondContact O-CB 3.48Å; V764-L768 PolarHBondContact O-N 2.95Å
765	A	85.8	Confident	85.3	Confident	45 Å²	45	93 Å²	93	37%	0.372	47%	0.468	S	S	.	.	H	α-helix	trans	-66.2	-43.1	178.8	0	0	0	0	0	112.5	P761 G762 D763 L768 R769	P761-A765 PolarHBondContact O-N 3.35Å; P761-A765 VanDerWaalsContact O-N 3.16Å; G762-A765 PolarHBondContact O-N 3.03Å; D763-A765 VanDerWaalsContact C-N 3.34Å; A765-L768 PolarHBondContact O-N 3.35Å; A765-R769 PolarHBondContact O-N 3.19Å
766	A	87.9	Confident	85.7	Confident	56 Å²	56	95.1 Å²	95.1	46%	0.463	47%	0.472	S	S	.	.	H	α-helix	trans	-62.7	-46.4	176.7	0	0	0	0	0	111.9	G762 D763 L768 R769 E770	G762-A766 PolarHBondContact O-N 3.41Å; G762-A766 VanDerWaalsContact O-N 3.09Å; D763-A766 PolarHBondContact O-N 2.83Å; A766-L768 VanDerWaalsContact C-N 3.32Å; A766-L768 PolarHBondContact O-N 2.9Å; A766-R769 PolarHBondContact O-N 3.31Å; A766-E770 PolarHBondContact O-N 3Å
767	K	88.5	Confident	86.4	Confident	67 Å²	67	95.7 Å²	95.7	29%	0.291	47%	0.467	S	S	.	.	H	α-helix	trans	-65.4	-34.5	176.9	-74.2	178.7	-177.6	176.8	0	112.8	F750 L754 L759 D763 F771	F750-K767 HydrophobicContact CZ-CB 4.44Å; L754-K767 HydrophobicContact CD2-CB 4.28Å; L754-K767 HydrophobicContact CD2-CD 4.13Å; L759-K767 HydrophobicContact CD1-CD 3.83Å; D763-K767 VanDerWaalsContact O-CB 3.32Å; D763-K767 WeakPolarHBondContact O-CB 3.42Å; D763-K767 VanDerWaalsContact O-CG 3.31Å; D763-K767 WeakPolarHBondContact O-CG 3.26Å; D763-K767 PolarHBondContact O-N 3.36Å; K767-F771 WeakPolarHBondContact O-CB 3.49Å; K767-F771 PolarHBondContact O-N 3.02Å
768	L	89.1	Confident	87.2	Confident	37 Å²	37	90 Å²	90	19%	0.194	45%	0.445	C	S	.	.	H	α-helix	trans	-66	-42.5	175.1	-169.1	66.7	0	0	0	111.3	F750 R751 V764 A765 A766 F771 E772	F750-L768 HydrophobicContact CD1-CD1 4.22Å; F750-L768 HydrophobicContact CE1-CD1 4.48Å; R751-L768 HydrophobicContact CG-CD1 4.24Å; V764-L768 VanDerWaalsContact O-CB 3.3Å; V764-L768 WeakPolarHBondContact O-CB 3.48Å; V764-L768 PolarHBondContact O-N 2.95Å; A765-L768 PolarHBondContact O-N 3.35Å; A766-L768 VanDerWaalsContact C-N 3.32Å; A766-L768 PolarHBondContact O-N 2.9Å; L768-F771 PolarHBondContact O-N 3.35Å; L768-E772 WeakPolarHBondContact O-CG 3.26Å; L768-E772 PolarHBondContact O-N 3.48Å
769	R	89.9	Confident	88	Confident	172 Å²	172	83.5 Å²	83.5	65%	0.649	41%	0.413	S	S	*	.	H	α-helix	trans	-62.3	-46.1	173.7	-73.3	-172.5	-162.7	152.8	4.9	112.3	A765 A766 F771 E772 E773	A765-R769 PolarHBondContact O-N 3.19Å; A766-R769 PolarHBondContact O-N 3.31Å; R769-F771 VanDerWaalsContact C-N 3.27Å; R769-F771 PolarHBondContact O-N 3.15Å; R769-E772 WeakPolarHBondContact O-CB 3.36Å; R769-E772 PolarHBondContact O-N 3.07Å; R769-E772 VanDerWaalsContact O-N 3.13Å; R769-E773 PolarHBondContact O-N 3.35Å
770	E	90.8	Very high	88.9	Confident	86 Å²	86	84 Å²	84	40%	0.402	42%	0.424	S	S	.	.	H	α-helix	trans	-61.5	-37.9	178.5	-166	-166.2	-162.1	0	0	111.5	A766 R774	A766-E770 PolarHBondContact O-N 3Å; E770-R774 WeakPolarHBondContact O-CB 3.3Å; E770-R774 WeakPolarHBondContact O-CG 3.36Å; E770-R774 PolarHBondContact O-N 2.81Å; E770-R774 IonicContact OE1-CZ 3.92Å; E770-R774 VanDerWaalsContact OE1-CZ 3.22Å; E770-R774 IonicContact OE1-NH1 2.6Å; E770-R774 PolarHBondContact OE1-NH1 3.34Å; E770-R774 IonicContact OE1-NH2 3.43Å; E770-R774 PolarHBondContact OE1-NH2 2.92Å; E770-R774 IonicContact OE2-CZ 3.04Å; E770-R774 IonicContact OE2-NH1 3.59Å; E770-R774 PolarHBondContact OE2-NH1 3.36Å; E770-R774 IonicContact OE2-NH2 3.61Å
771	F	92.5	Very high	89.5	Confident	22 Å²	22	82.9 Å²	82.9	10%	0.096	42%	0.415	C	S	.	.	H	α-helix	trans	-64.2	-45.5	172.6	176.8	-92.6	0	0	0	112	R746 F750 K767 L768 R769 E773 R774 E775	R746-F771 HydrophobicContact CB-CZ 4.14Å; F750-F771 HydrophobicContact CB-CD1 4.33Å; F750-F771 HydrophobicContact CB-CD2 3.94Å; F750-F771 HydrophobicContact CB-CE1 4.1Å; F750-F771 HydrophobicContact CB-CE2 3.66Å; F750-F771 HydrophobicContact CB-CG 4.27Å; F750-F771 HydrophobicContact CB-CZ 3.75Å; F750-F771 HydrophobicContact CD1-CB 3.65Å; F750-F771 AromaticContact CD1-CD1 3.83Å; F750-F771 HydrophobicContact CD1-CD1 3.83Å; F750-F771 AromaticContact CD1-CD2 3.68Å; F750-F771 HydrophobicContact CD1-CD2 3.68Å; F750-F771 HydrophobicContact CD1-CE1 4.44Å; F750-F771 HydrophobicContact CD1-CE2 4.29Å; F750-F771 AromaticContact CD1-CG 3.42Å; F750-F771 HydrophobicContact CD1-CG 3.42Å; F750-F771 VanDerWaalsContact CD1-CG 3.42Å; F750-F771 AromaticContact CD2-CD2 3.56Å; F750-F771 HydrophobicContact CD2-CD2 3.56Å; F750-F771 AromaticContact CD2-CE2 3.91Å; F750-F771 HydrophobicContact CD2-CE2 3.91Å; F750-F771 HydrophobicContact CD2-CG 4.18Å; F750-F771 HydrophobicContact CE1-CB 3.34Å; F750-F771 HydrophobicContact CE1-CD1 4.41Å; F750-F771 HydrophobicContact CE1-CD2 4.01Å; F750-F771 AromaticContact CE1-CG 3.67Å; F750-F771 HydrophobicContact CE1-CG 3.67Å; F750-F771 HydrophobicContact CE2-CB 4.4Å; F750-F771 AromaticContact CE2-CD2 3.9Å; F750-F771 HydrophobicContact CE2-CD2 3.9Å; F750-F771 HydrophobicContact CE2-CG 4.4Å; F750-F771 HydrophobicContact CG-CB 4.3Å; F750-F771 HydrophobicContact CG-CD1 4.17Å; F750-F771 AromaticContact CG-CD2 3.43Å; F750-F771 HydrophobicContact CG-CD2 3.43Å; F750-F771 VanDerWaalsContact CG-CD2 3.43Å; F750-F771 HydrophobicContact CG-CE1 4.4Å; F750-F771 AromaticContact CG-CE2 3.69Å; F750-F771 HydrophobicContact CG-CE2 3.69Å; F750-F771 AromaticContact CG-CG 3.69Å; F750-F771 HydrophobicContact CG-CG 3.69Å; F750-F771 HydrophobicContact CG-CZ 4.18Å; F750-F771 HydrophobicContact CZ-CB 3.76Å; F750-F771 HydrophobicContact CZ-CD2 4.11Å; F750-F771 HydrophobicContact CZ-CG 4.16Å; K767-F771 WeakPolarHBondContact O-CB 3.49Å; K767-F771 PolarHBondContact O-N 3.02Å; L768-F771 PolarHBondContact O-N 3.35Å; R769-F771 VanDerWaalsContact C-N 3.27Å; R769-F771 PolarHBondContact O-N 3.15Å; F771-E773 VanDerWaalsContact C-N 3.33Å; F771-E773 PolarHBondContact O-N 2.81Å; F771-R774 PolarHBondContact O-N 3.34Å; F771-E775 WeakPolarHBondContact O-CB 3.32Å; F771-E775 PolarHBondContact O-N 2.87Å
772	E	92.4	Very high	90.1	Very high	79 Å²	79	80.9 Å²	80.9	37%	0.369	40%	0.396	S	S	.	.	H	α-helix	trans	-60.8	-40.4	176.8	-73.7	176.3	179.9	0	0	112.3	L768 R769 E775 R776	L768-E772 WeakPolarHBondContact O-CG 3.26Å; L768-E772 PolarHBondContact O-N 3.48Å; R769-E772 WeakPolarHBondContact O-CB 3.36Å; R769-E772 PolarHBondContact O-N 3.07Å; R769-E772 VanDerWaalsContact O-N 3.13Å; E772-E775 PolarHBondContact O-N 2.59Å; E772-R776 WeakPolarHBondContact O-CG 3.49Å; E772-R776 PolarHBondContact O-N 2.96Å
773	E	93.3	Very high	90.7	Very high	132 Å²	132	81.8 Å²	81.8	62%	0.617	39%	0.388	S	S	*	.	H	α-helix	trans	-65	-46.2	175.3	-74.6	177.6	-176.3	0	0	112.2	R769 F771 E775 R776 Y777	R769-E773 PolarHBondContact O-N 3.35Å; F771-E773 VanDerWaalsContact C-N 3.33Å; F771-E773 PolarHBondContact O-N 2.81Å; E773-E775 PolarHBondContact O-N 3.33Å; E773-R776 PolarHBondContact O-N 3.06Å; E773-Y777 PolarHBondContact O-N 2.72Å
774	R	92.4	Very high	91	Very high	143 Å²	143	85.3 Å²	85.3	54%	0.54	40%	0.399	S	S	.	.	H	α-helix	trans	-59.3	-37.9	173.1	-75.1	-179.4	-179	123.6	0.7	111.8	E770 F771 Y777 R778	E770-R774 WeakPolarHBondContact O-CB 3.3Å; E770-R774 WeakPolarHBondContact O-CG 3.36Å; E770-R774 PolarHBondContact O-N 2.81Å; E770-R774 IonicContact OE1-CZ 3.92Å; E770-R774 VanDerWaalsContact OE1-CZ 3.22Å; E770-R774 IonicContact OE1-NH1 2.6Å; E770-R774 PolarHBondContact OE1-NH1 3.34Å; E770-R774 IonicContact OE1-NH2 3.43Å; E770-R774 PolarHBondContact OE1-NH2 2.92Å; E770-R774 IonicContact OE2-CZ 3.04Å; E770-R774 IonicContact OE2-NH1 3.59Å; E770-R774 PolarHBondContact OE2-NH1 3.36Å; E770-R774 IonicContact OE2-NH2 3.61Å; F771-R774 PolarHBondContact O-N 3.34Å; R774-Y777 PolarHBondContact O-N 3.34Å; R774-R778 PolarHBondContact O-N 2.75Å
775	E	92.5	Very high	91.3	Very high	10 Å²	10	89.4 Å²	89.4	5%	0.047	41%	0.413	C	S	.	.	H	α-helix	trans	-68.7	-43.9	179.2	-155.9	67.1	175.9	0	0	111.8	T743 R746 F771 E772 E773 Y777 R778 I779	T743-E775 HydrophobicContact CG2-CG 3.98Å; R746-E775 IonicContact NE-OE1 2.75Å; F771-E775 WeakPolarHBondContact O-CB 3.32Å; F771-E775 PolarHBondContact O-N 2.87Å; E772-E775 PolarHBondContact O-N 2.59Å; E773-E775 PolarHBondContact O-N 3.33Å; E775-Y777 VanDerWaalsContact C-N 3.31Å; E775-Y777 PolarHBondContact O-N 2.95Å; E775-R778 PolarHBondContact O-N 3.29Å; E775-R778 IonicContact OE1-CZ 3.51Å; E775-R778 VanDerWaalsContact OE1-CZ 3.24Å; E775-R778 IonicContact OE1-NH1 2.98Å; E775-R778 PolarHBondContact OE1-NH1 3.31Å; E775-R778 IonicContact OE1-NH2 3.1Å; E775-R778 PolarHBondContact OE1-NH2 2.84Å; E775-R778 IonicContact OE2-CZ 3.62Å; E775-R778 IonicContact OE2-NE 3.87Å; E775-R778 IonicContact OE2-NH2 2.79Å; E775-R778 PolarHBondContact OE2-NH2 3.44Å; E775-I779 HydrophobicContact CG-CD1 4.41Å; E775-I779 VanDerWaalsContact O-CG1 3.25Å; E775-I779 WeakPolarHBondContact O-CG1 3.48Å; E775-I779 PolarHBondContact O-N 2.68Å
776	R	92.6	Very high	91.5	Very high	185 Å²	185	88.9 Å²	88.9	70%	0.698	40%	0.403	S	S	*	.	H	α-helix	trans	-58.2	-44.4	172.8	-73.6	176	-174.9	-146.8	3.8	111.5	E772 E773 I779 A780	E772-R776 WeakPolarHBondContact O-CG 3.49Å; E772-R776 PolarHBondContact O-N 2.96Å; E773-R776 PolarHBondContact O-N 3.06Å; R776-I779 PolarHBondContact O-N 3.26Å; R776-A780 PolarHBondContact O-N 2.84Å
777	Y	93.7	Very high	91.5	Very high	154 Å²	154	91.8 Å²	91.8	60%	0.604	41%	0.407	S	S	*	.	H	α-helix	trans	-63.2	-43.6	178	-175	-105.6	0	0	0	112.1	E773 R774 E775 A780 Q781	E773-Y777 PolarHBondContact O-N 2.72Å; R774-Y777 PolarHBondContact O-N 3.34Å; E775-Y777 VanDerWaalsContact C-N 3.31Å; E775-Y777 PolarHBondContact O-N 2.95Å; Y777-A780 PolarHBondContact O-N 2.89Å; Y777-Q781 HydrophobicContact CD1-CG 4.33Å; Y777-Q781 HydrophobicContact CE1-CG 3.99Å; Y777-Q781 WeakPolarHBondContact O-CG 3.33Å; Y777-Q781 PolarHBondContact O-N 3.3Å; Y777-Q781 PolarHBondContact OH-NE2 2.96Å
778	R	93.3	Very high	91.6	Very high	63 Å²	63	93 Å²	93	24%	0.238	42%	0.416	C	S	.	.	H	α-helix	trans	-64	-43.2	176.9	-168.9	-128.9	-63.7	164	13.2	112.4	R746 R774 E775 A780 Q781 E782	R746-R778 VanDerWaalsContact CD-NH1 3.34Å; R774-R778 PolarHBondContact O-N 2.75Å; E775-R778 PolarHBondContact O-N 3.29Å; E775-R778 IonicContact OE1-CZ 3.51Å; E775-R778 VanDerWaalsContact OE1-CZ 3.24Å; E775-R778 IonicContact OE1-NH1 2.98Å; E775-R778 PolarHBondContact OE1-NH1 3.31Å; E775-R778 IonicContact OE1-NH2 3.1Å; E775-R778 PolarHBondContact OE1-NH2 2.84Å; E775-R778 IonicContact OE2-CZ 3.62Å; E775-R778 IonicContact OE2-NE 3.87Å; E775-R778 IonicContact OE2-NH2 2.79Å; E775-R778 PolarHBondContact OE2-NH2 3.44Å; R778-A780 VanDerWaalsContact C-N 3.3Å; R778-A780 PolarHBondContact O-N 3.17Å; R778-Q781 PolarHBondContact O-N 2.68Å; R778-E782 PolarHBondContact O-N 2.68Å
779	I	92.3	Very high	91.7	Very high	44 Å²	44	97.4 Å²	97.4	23%	0.226	43%	0.433	C	S	.	.	H	α-helix	trans	-57.8	-45.9	175.8	-69.9	165.4	0	0	0	110.2	L739 T743 E775 R776 Q781 E782 L783	L739-I779 HydrophobicContact CD1-CG2 4.19Å; T743-I779 WeakPolarHBondContact OG1-CD1 3.45Å; E775-I779 HydrophobicContact CG-CD1 4.41Å; E775-I779 VanDerWaalsContact O-CG1 3.25Å; E775-I779 WeakPolarHBondContact O-CG1 3.48Å; E775-I779 PolarHBondContact O-N 2.68Å; R776-I779 PolarHBondContact O-N 3.26Å; I779-Q781 PolarHBondContact O-N 3.44Å; I779-E782 PolarHBondContact O-N 3.47Å; I779-L783 HydrophobicContact CG2-CD1 4.12Å; I779-L783 WeakPolarHBondContact O-CG 3.43Å; I779-L783 PolarHBondContact O-N 2.83Å
780	A	92.1	Very high	91.6	Very high	55 Å²	55	89.8 Å²	89.8	46%	0.455	41%	0.405	S	S	.	.	H	α-helix	trans	-62.4	-41.9	177.5	0	0	0	0	0	112.4	R776 Y777 R778 K784	R776-A780 PolarHBondContact O-N 2.84Å; Y777-A780 PolarHBondContact O-N 2.89Å; R778-A780 VanDerWaalsContact C-N 3.3Å; R778-A780 PolarHBondContact O-N 3.17Å; A780-K784 WeakPolarHBondContact O-CB 3.4Å; A780-K784 PolarHBondContact O-N 3.38Å
781	Q	93	Very high	91.5	Very high	95 Å²	95	92 Å²	92	44%	0.444	41%	0.414	S	S	.	.	H	α-helix	trans	-63.2	-43.3	175.2	-74.8	-170.3	-24.6	0	0	112.6	Y777 R778 I779 K784 K785	Y777-Q781 HydrophobicContact CD1-CG 4.33Å; Y777-Q781 HydrophobicContact CE1-CG 3.99Å; Y777-Q781 WeakPolarHBondContact O-CG 3.33Å; Y777-Q781 PolarHBondContact O-N 3.3Å; Y777-Q781 PolarHBondContact OH-NE2 2.96Å; R778-Q781 PolarHBondContact O-N 2.68Å; I779-Q781 PolarHBondContact O-N 3.44Å; Q781-K784 PolarHBondContact O-N 3.17Å; Q781-K785 VanDerWaalsContact O-CB 3.32Å; Q781-K785 WeakPolarHBondContact O-CB 3.41Å; Q781-K785 PolarHBondContact O-N 3.47Å
782	E	91.3	Very high	91.4	Very high	67 Å²	67	97.1 Å²	97.1	31%	0.313	44%	0.436	S	S	.	.	H	α-helix	trans	-66.9	-39.9	-179.3	-161.5	60.7	-145.1	0	0	111.4	L739 R778 I779 K785 Q786	L739-E782 HydrophobicContact CD2-CB 4.49Å; L739-E782 HydrophobicContact CD2-CG 4.34Å; R778-E782 PolarHBondContact O-N 2.68Å; I779-E782 PolarHBondContact O-N 3.47Å; E782-K785 PolarHBondContact O-N 3.48Å; E782-K785 IonicContact OE1-NZ 2.79Å; E782-Q786 PolarHBondContact O-N 2.95Å
783	L	91.3	Very high	90.9	Very high	75 Å²	75	99.5 Å²	99.5	39%	0.393	44%	0.442	S	S	.	.	H	α-helix	trans	-61.5	-46.3	173	-71.2	173.1	0	0	0	111.8	L735 L739 I779 Q786 E787	L735-L783 HydrophobicContact CD2-CD2 3.81Å; L735-L783 HydrophobicContact CG-CD2 4.21Å; L739-L783 HydrophobicContact CD1-CD2 3.89Å; L739-L783 HydrophobicContact CD1-CG 4.03Å; I779-L783 HydrophobicContact CG2-CD1 4.12Å; I779-L783 WeakPolarHBondContact O-CG 3.43Å; I779-L783 PolarHBondContact O-N 2.83Å; L783-Q786 PolarHBondContact O-N 2.83Å; L783-E787 PolarHBondContact O-N 2.88Å
784	K	91.8	Very high	90.5	Very high	156 Å²	156	94.6 Å²	94.6	68%	0.678	42%	0.419	S	S	*	.	H	α-helix	trans	-63.8	-40.9	178	-174.3	176.4	-177.7	177.1	0	112.2	A780 Q781 Q786 E787 L788	A780-K784 WeakPolarHBondContact O-CB 3.4Å; A780-K784 PolarHBondContact O-N 3.38Å; Q781-K784 PolarHBondContact O-N 3.17Å; K784-Q786 VanDerWaalsContact C-N 3.32Å; K784-Q786 PolarHBondContact O-N 3.49Å; K784-E787 PolarHBondContact O-N 3.5Å; K784-L788 PolarHBondContact O-N 3.37Å
785	K	91.2	Very high	90	Very high	135 Å²	135	91.6 Å²	91.6	59%	0.587	41%	0.413	S	S	*	.	H	α-helix	trans	-61.6	-42.2	175.8	-177.8	-175.9	174	-167	0	111.1	Q781 E782 L788 K789	Q781-K785 VanDerWaalsContact O-CB 3.32Å; Q781-K785 WeakPolarHBondContact O-CB 3.41Å; Q781-K785 PolarHBondContact O-N 3.47Å; E782-K785 PolarHBondContact O-N 3.48Å; E782-K785 IonicContact OE1-NZ 2.79Å; K785-L788 PolarHBondContact O-N 3.16Å; K785-K789 WeakPolarHBondContact O-CB 3.15Å; K785-K789 PolarHBondContact O-N 3.33Å
786	Q	88.8	Confident	89.5	Confident	34 Å²	34	97.3 Å²	97.3	16%	0.159	44%	0.444	C	S	.	.	H	α-helix	trans	-67	-40.5	177.4	-166.5	71	-9.7	0	0	112.1	E731 L735 E782 L783 K784 K789 H790	E731-Q786 PolarHBondContact OE2-NE2 2.65Å; L735-Q786 HydrophobicContact CD2-CB 3.92Å; L735-Q786 HydrophobicContact CD2-CG 3.9Å; E782-Q786 PolarHBondContact O-N 2.95Å; L783-Q786 PolarHBondContact O-N 2.83Å; K784-Q786 VanDerWaalsContact C-N 3.32Å; K784-Q786 PolarHBondContact O-N 3.49Å; Q786-K789 WeakPolarHBondContact O-CB 2.95Å; Q786-K789 PolarHBondContact O-N 3.12Å; Q786-H790 VanDerWaalsContact O-CG 3.31Å; Q786-H790 PolarHBondContact O-N 3.09Å; Q786-H790 PolarHBondContact O-ND1 3.39Å
787	E	89.2	Confident	88.6	Confident	116 Å²	116	90.3 Å²	90.3	54%	0.542	42%	0.42	S	S	.	.	H	α-helix	trans	-61.1	-45.6	175.2	-176.1	176.2	-154.8	0	0	112.2	L783 K784 K789 H790 K791	L783-E787 PolarHBondContact O-N 2.88Å; K784-E787 PolarHBondContact O-N 3.5Å; E787-K789 VanDerWaalsContact C-N 3.32Å; E787-K789 PolarHBondContact O-N 3.1Å; E787-H790 PolarHBondContact O-N 3.13Å; E787-K791 PolarHBondContact O-N 3.24Å
788	L	91	Very high	87.6	Confident	92 Å²	92	90 Å²	90	48%	0.482	42%	0.418	S	S	.	.	H	α-helix	trans	-62.7	-39	176.1	-175.8	65.2	0	0	0	111.9	K784 K785 H790 K791 K792	K784-L788 PolarHBondContact O-N 3.37Å; K785-L788 PolarHBondContact O-N 3.16Å; L788-H790 VanDerWaalsContact C-N 3.35Å; L788-K791 PolarHBondContact O-N 3.28Å; L788-K792 WeakPolarHBondContact O-CG 3.22Å; L788-K792 PolarHBondContact O-N 3.3Å
789	K	89.7	Confident	86.5	Confident	130 Å²	130	90.4 Å²	90.4	57%	0.565	44%	0.435	S	S	*	.	H	α-helix	trans	-61.3	-43.9	175.1	-175.4	-175.3	-178.9	-174.6	0	111.1	K785 Q786 E787 R793	K785-K789 WeakPolarHBondContact O-CB 3.15Å; K785-K789 PolarHBondContact O-N 3.33Å; Q786-K789 WeakPolarHBondContact O-CB 2.95Å; Q786-K789 PolarHBondContact O-N 3.12Å; E787-K789 VanDerWaalsContact C-N 3.32Å; E787-K789 PolarHBondContact O-N 3.1Å; K789-R793 PolarHBondContact O-N 3.48Å
790	H	89	Confident	85.2	Confident	12 Å²	12	94 Å²	94	6%	0.056	45%	0.451	C	S	.	.	H	α-helix	trans	-64.5	-44	176.4	-64.1	157.2	0	0	0	112.2	Q728 E731 Q786 E787 L788 R793 M794	Q728-H790 HydrophobicContact CG-CB 4.33Å; Q728-H790 WeakPolarHBondContact CG-ND1 3.08Å; Q728-H790 VanDerWaalsContact NE2-CG 3.26Å; Q728-H790 PolarHBondContact NE2-ND1 3.38Å; E731-H790 IonicContact OE2-CD2 3.07Å; E731-H790 IonicContact OE2-CE1 2.84Å; E731-H790 IonicContact OE2-NE2 3.01Å; E731-H790 PolarHBondContact OE2-NE2 2.95Å; Q786-H790 VanDerWaalsContact O-CG 3.31Å; Q786-H790 PolarHBondContact O-N 3.09Å; Q786-H790 PolarHBondContact O-ND1 3.39Å; E787-H790 PolarHBondContact O-N 3.13Å; L788-H790 VanDerWaalsContact C-N 3.35Å; H790-R793 WeakPolarHBondContact O-CB 3.4Å; H790-R793 PolarHBondContact O-N 2.95Å; H790-M794 WeakPolarHBondContact O-CG 3.16Å; H790-M794 PolarHBondContact O-N 3.45Å
791	K	89	Confident	83.6	Confident	133 Å²	133	95 Å²	95	58%	0.578	45%	0.448	S	S	*	.	H	α-helix	trans	-57.8	-51.3	177.8	-175.8	176.8	178.6	178.7	0	111.9	E787 L788 R793 M794 D795	E787-K791 PolarHBondContact O-N 3.24Å; L788-K791 PolarHBondContact O-N 3.28Å; K791-R793 VanDerWaalsContact C-N 3.25Å; K791-R793 PolarHBondContact O-N 2.91Å; K791-M794 PolarHBondContact O-N 2.94Å; K791-D795 PolarHBondContact O-N 3.38Å; K791-D795 VanDerWaalsContact O-N 3.08Å
792	K	89.2	Confident	81.8	Confident	130 Å²	130	98.8 Å²	98.8	57%	0.565	47%	0.466	S	S	*	.	H	α-helix	trans	-57.7	-36.9	178.1	-72.9	-176.3	177.5	-171.6	0	113	L788 M794 D795 L796	L788-K792 WeakPolarHBondContact O-CG 3.22Å; L788-K792 PolarHBondContact O-N 3.3Å; K792-M794 VanDerWaalsContact C-N 3.33Å; K792-D795 PolarHBondContact O-N 3.39Å; K792-L796 WeakPolarHBondContact O-CG 3.29Å; K792-L796 PolarHBondContact O-N 3.38Å; K792-L796 VanDerWaalsContact O-N 3.13Å
793	R	82.9	Confident	79.8	Confident	129 Å²	129	99.8 Å²	99.8	49%	0.487	49%	0.486	S	S	.	.	H	α-helix	trans	-64.7	-37.8	177.4	-172.9	177.9	-179.2	179.7	-0.2	111.9	K789 H790 K791 L797	K789-R793 PolarHBondContact O-N 3.48Å; H790-R793 WeakPolarHBondContact O-CB 3.4Å; H790-R793 PolarHBondContact O-N 2.95Å; K791-R793 VanDerWaalsContact C-N 3.25Å; K791-R793 PolarHBondContact O-N 2.91Å; R793-L797 WeakPolarHBondContact O-CG 3.42Å; R793-L797 PolarHBondContact O-N 3Å
794	M	83.9	Confident	78.1	Confident	28 Å²	28	100.2 Å²	100.2	14%	0.138	49%	0.492	C	S	.	.	H	α-helix	trans	-70.7	-40.6	177	-62.9	-58.8	-64.8	0	0	112.1	E721 A724 I725 H790 K791 K792 L796 L797 R798	E721-M794 HydrophobicContact CG-CE 3.57Å; A724-M794 HydrophobicContact CB-SD 4.05Å; I725-M794 HydrophobicContact CG1-CE 4.26Å; H790-M794 WeakPolarHBondContact O-CG 3.16Å; H790-M794 PolarHBondContact O-N 3.45Å; K791-M794 PolarHBondContact O-N 2.94Å; K792-M794 VanDerWaalsContact C-N 3.33Å; M794-L796 PolarHBondContact O-N 3.06Å; M794-L797 PolarHBondContact O-N 2.86Å; M794-R798 PolarHBondContact O-N 3.33Å
795	D	82.5	Confident	76.2	Confident	80 Å²	80	98.2 Å²	98.2	43%	0.428	49%	0.488	S	S	.	.	H	α-helix	trans	-64.1	-41	179	-63	-23.8	0	0	0	111.5	K791 K792 L797 R798 A799	K791-D795 PolarHBondContact O-N 3.38Å; K791-D795 VanDerWaalsContact O-N 3.08Å; K792-D795 PolarHBondContact O-N 3.39Å; D795-L797 PolarHBondContact O-N 3.44Å; D795-R798 PolarHBondContact O-N 3.03Å; D795-A799 PolarHBondContact O-N 3.09Å
796	L	80.9	Confident	74.8	Confident	131 Å²	131	99.8 Å²	99.8	69%	0.686	50%	0.498	S	S	*	.	H	α-helix	trans	-64	-39.3	176.3	-72.8	172.4	0	0	0	113.1	K792 M794 R798 A799 E800	K792-L796 WeakPolarHBondContact O-CG 3.29Å; K792-L796 PolarHBondContact O-N 3.38Å; K792-L796 VanDerWaalsContact O-N 3.13Å; M794-L796 PolarHBondContact O-N 3.06Å; L796-R798 VanDerWaalsContact C-N 3.25Å; L796-R798 PolarHBondContact O-N 3.16Å; L796-A799 PolarHBondContact O-N 2.71Å; L796-E800 PolarHBondContact O-N 2.98Å
797	L	73.7	Confident	73.5	Confident	37 Å²	37	105.9 Å²	105.9	19%	0.194	52%	0.524	C	S	.	.	H	α-helix	trans	-65.9	-28.1	176.8	-77	168.5	0	0	0	112.5	K720 A724 R793 M794 D795	K720-L797 HydrophobicContact CB-CD2 4.28Å; K720-L797 HydrophobicContact CD-CD2 4.23Å; A724-L797 HydrophobicContact CB-CD1 3.99Å; R793-L797 WeakPolarHBondContact O-CG 3.42Å; R793-L797 PolarHBondContact O-N 3Å; M794-L797 PolarHBondContact O-N 2.86Å; D795-L797 PolarHBondContact O-N 3.44Å
798	R	73.1	Confident	72.4	Confident	148 Å²	148	104.7 Å²	104.7	56%	0.558	51%	0.514	S	S	*	.	H	α-helix	trans	-76.6	-41.1	176.8	-71.5	178.6	-179.8	-175.5	-1.4	112.3	E721 M794 D795 L796 E800 N801	E721-R798 IonicContact OE1-NH2 3.72Å; M794-R798 PolarHBondContact O-N 3.33Å; D795-R798 PolarHBondContact O-N 3.03Å; L796-R798 VanDerWaalsContact C-N 3.25Å; L796-R798 PolarHBondContact O-N 3.16Å; R798-E800 VanDerWaalsContact C-N 3.26Å; R798-E800 PolarHBondContact O-N 3.04Å; R798-N801 WeakPolarHBondContact O-CB 3.29Å; R798-N801 PolarHBondContact O-N 3.46Å
799	A	71.6	Confident	71.5	Confident	72 Å²	72	107 Å²	107	60%	0.595	52%	0.52	S	S	*	.	H	α-helix	trans	-65	-26.1	179.4	0	0	0	0	0	113.7	D795 L796 N801	D795-A799 PolarHBondContact O-N 3.09Å; L796-A799 PolarHBondContact O-N 2.71Å; A799-N801 PolarHBondContact O-N 3.37Å
800	E	63.9	Low	70.7	Confident	120 Å²	120	106.2 Å²	106.2	56%	0.561	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-15.5	176.8	-160.8	-180	177.9	0	0	112.9	K720 L796 R798	K720-E800 IonicContact NZ-OE1 2.69Å; K720-E800 IonicContact NZ-OE2 2.68Å; L796-E800 PolarHBondContact O-N 2.98Å; R798-E800 VanDerWaalsContact C-N 3.26Å; R798-E800 PolarHBondContact O-N 3.04Å
801	N	59.7	Low	69.9	Low	75 Å²	75	107.2 Å²	107.2	40%	0.401	53%	0.527	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-9.1	-170.2	-67.9	-18.9	0	0	0	116	N717 R798 A799	N717-N801 PolarHBondContact ND2-OD1 3.18Å; R798-N801 WeakPolarHBondContact O-CB 3.29Å; R798-N801 PolarHBondContact O-N 3.46Å; A799-N801 PolarHBondContact O-N 3.37Å
802	E	54.9	Low	69.4	Low	174 Å²	174	104.5 Å²	104.5	81%	0.813	52%	0.519	S	S	*	.	S	Bend	trans	-104.6	13.6	-163.4	-71.5	177.6	174.9	0	0	115.8
803	A	49.7	Very low	68.9	Low	89 Å²	89	103 Å²	103	74%	0.736	51%	0.514	S	S	*	.			trans	-117.4	83	-174.8	0	0	0	0	0	114
804	T	54.8	Low	68.8	Low	84 Å²	84	100.9 Å²	100.9	52%	0.515	51%	0.509	S	S	.	.			trans	-161.3	103.9	164.6	35.1	0	0	0	0	112.3
805	N	52.1	Low	68.9	Low	113 Å²	113	99.9 Å²	99.9	60%	0.604	50%	0.504	S	S	*	.			trans	-156.6	5.4	159.7	-109	-18.8	0	0	0	116.3
806	E	61.1	Low	69	Low	169 Å²	169	101.1 Å²	101.1	79%	0.79	51%	0.511	S	S	*	.	S	Bend	trans	-77.4	-29.4	-173.2	-64.6	-178.7	165.4	0	0	114.8	R808 K809	E806-R808 VanDerWaalsContact C-N 3.3Å; E806-R808 PolarHBondContact O-N 3.22Å; E806-K809 PolarHBondContact O-N 2.98Å
807	K	62.7	Low	69.4	Low	162 Å²	162	99.5 Å²	99.5	70%	0.704	50%	0.502	S	S	*	.	H	α-helix	trans	-63.4	-30.4	-173.1	-70.8	-174.4	178.8	179.1	0	114.3
808	R	64.8	Low	70.1	Confident	90 Å²	90	104.1 Å²	104.1	34%	0.34	52%	0.517	S	S	.	.	H	α-helix	trans	-69.1	-35.5	-177.1	-66	-178.6	174.9	174.4	-3.5	112.4	M702 L703 E806 L812	M702-R808 HydrophobicContact CE-CB 4.48Å; M702-R808 HydrophobicContact CE-CG 3.97Å; M702-R808 HydrophobicContact SD-CG 4.16Å; L703-R808 VanDerWaalsContact CD2-CZ 3.47Å; E806-R808 VanDerWaalsContact C-N 3.3Å; E806-R808 PolarHBondContact O-N 3.22Å; R808-L812 PolarHBondContact O-N 3.4Å
809	K	72.5	Confident	70.9	Confident	140 Å²	140	98.5 Å²	98.5	61%	0.609	50%	0.498	S	S	*	.	H	α-helix	trans	-67	-46.1	-178.5	-177.2	179.3	172.5	-175.6	0	111.7	E806 L811 L812 E813	E806-K809 PolarHBondContact O-N 2.98Å; K809-L811 VanDerWaalsContact C-N 3.28Å; K809-L811 PolarHBondContact O-N 3.2Å; K809-L812 PolarHBondContact O-N 2.65Å; K809-E813 WeakPolarHBondContact CE-OE1 3.31Å; K809-E813 WeakPolarHBondContact O-CG 3.46Å; K809-E813 PolarHBondContact O-N 3.11Å; K809-E813 VanDerWaalsContact O-N 3.14Å
810	L	73	Confident	71.8	Confident	115 Å²	115	100.9 Å²	100.9	60%	0.602	50%	0.495	S	S	*	.	H	α-helix	trans	-62.2	-34.6	-179.6	-68.3	172.9	0	0	0	112.7	E813 H814	L810-E813 PolarHBondContact O-N 2.89Å; L810-H814 WeakPolarHBondContact O-CB 3.46Å; L810-H814 PolarHBondContact O-N 3.37Å; L810-H814 VanDerWaalsContact O-N 3.07Å
811	L	73.1	Confident	73.1	Confident	32 Å²	32	99.1 Å²	99.1	17%	0.168	49%	0.489	C	S	.	.	H	α-helix	trans	-66.5	-46.3	178.1	-170.7	72.3	0	0	0	111.7	R699 M702 K809 E813 H814 E815	R699-L811 HydrophobicContact CG-CD2 3.93Å; M702-L811 HydrophobicContact CE-CD2 3.56Å; M702-L811 HydrophobicContact CG-CD2 4.43Å; K809-L811 VanDerWaalsContact C-N 3.28Å; K809-L811 PolarHBondContact O-N 3.2Å; L811-E813 VanDerWaalsContact C-N 3.3Å; L811-E813 PolarHBondContact O-N 2.76Å; L811-H814 PolarHBondContact O-N 3.04Å; L811-E815 WeakPolarHBondContact CG-OE1 3.43Å; L811-E815 WeakPolarHBondContact O-CG 3.49Å; L811-E815 PolarHBondContact O-N 3.14Å
812	L	77.7	Confident	74.6	Confident	77 Å²	77	97 Å²	97	40%	0.403	48%	0.476	S	S	.	.	H	α-helix	trans	-63.1	-36.9	177.6	-69	173.5	0	0	0	112.2	R808 K809 N816	R808-L812 PolarHBondContact O-N 3.4Å; K809-L812 PolarHBondContact O-N 2.65Å; L812-N816 WeakPolarHBondContact O-CB 3.33Å; L812-N816 VanDerWaalsContact O-CG 3.3Å; L812-N816 PolarHBondContact O-N 2.81Å; L812-N816 VanDerWaalsContact O-N 3.1Å; L812-N816 PolarHBondContact O-ND2 2.82Å
813	E	78.4	Confident	76.5	Confident	99 Å²	99	91.4 Å²	91.4	46%	0.463	45%	0.452	S	S	.	.	H	α-helix	trans	-63.2	-43.3	174.3	-72.4	173.9	179.7	0	0	111.4	K809 L810 L811 L817	K809-E813 WeakPolarHBondContact CE-OE1 3.31Å; K809-E813 WeakPolarHBondContact O-CG 3.46Å; K809-E813 PolarHBondContact O-N 3.11Å; K809-E813 VanDerWaalsContact O-N 3.14Å; L810-E813 PolarHBondContact O-N 2.89Å; L811-E813 VanDerWaalsContact C-N 3.3Å; L811-E813 PolarHBondContact O-N 2.76Å; E813-L817 PolarHBondContact O-N 2.95Å; E813-L817 VanDerWaalsContact O-N 3.11Å
814	H	81	Confident	78.6	Confident	83 Å²	83	91.5 Å²	91.5	38%	0.384	44%	0.437	S	S	.	.	H	α-helix	trans	-65.3	-43.8	176.2	173.1	-99.9	0	0	0	112.9	L810 L811 N816 L817 R818	L810-H814 WeakPolarHBondContact O-CB 3.46Å; L810-H814 PolarHBondContact O-N 3.37Å; L810-H814 VanDerWaalsContact O-N 3.07Å; L811-H814 PolarHBondContact O-N 3.04Å; H814-N816 PolarHBondContact O-N 3.27Å; H814-L817 PolarHBondContact O-N 2.84Å; H814-R818 PolarHBondContact O-N 2.81Å
815	E	86	Confident	80.4	Confident	7 Å²	7	93.3 Å²	93.3	3%	0.033	44%	0.44	C	S	.	.	H	α-helix	trans	-57.7	-47.6	175.4	-71.7	169.3	-155.2	0	0	111.9	F695 R699 L811 L817 R818 L819	F695-E815 HydrophobicContact CB-CG 4.1Å; F695-E815 HydrophobicContact CD1-CB 4.44Å; F695-E815 HydrophobicContact CD1-CG 3.77Å; F695-E815 HydrophobicContact CD2-CB 4.47Å; F695-E815 HydrophobicContact CD2-CG 4.49Å; F695-E815 HydrophobicContact CE1-CG 4.33Å; F695-E815 HydrophobicContact CG-CB 4.33Å; F695-E815 HydrophobicContact CG-CG 3.87Å; R699-E815 WeakPolarHBondContact CD-OE1 3.47Å; R699-E815 WeakPolarHBondContact CD-OE2 3.41Å; R699-E815 WeakPolarHBondContact CG-OE1 3.49Å; R699-E815 IonicContact CZ-OE2 3.17Å; R699-E815 IonicContact NE-OE2 3.53Å; R699-E815 IonicContact NH1-OE2 3.22Å; R699-E815 PolarHBondContact NH1-OE2 3.21Å; L811-E815 WeakPolarHBondContact CG-OE1 3.43Å; L811-E815 WeakPolarHBondContact O-CG 3.49Å; L811-E815 PolarHBondContact O-N 3.14Å; E815-L817 VanDerWaalsContact C-N 3.32Å; E815-L817 PolarHBondContact O-N 2.84Å; E815-R818 PolarHBondContact O-N 2.8Å; E815-L819 PolarHBondContact O-N 2.81Å
816	N	85.5	Confident	82.4	Confident	106 Å²	106	89.8 Å²	89.8	57%	0.567	42%	0.418	S	S	*	.	H	α-helix	trans	-63.4	-38.4	179.7	-75.9	-40.3	0	0	0	112.1	L812 H814 K820	L812-N816 WeakPolarHBondContact O-CB 3.33Å; L812-N816 VanDerWaalsContact O-CG 3.3Å; L812-N816 PolarHBondContact O-N 2.81Å; L812-N816 VanDerWaalsContact O-N 3.1Å; L812-N816 PolarHBondContact O-ND2 2.82Å; H814-N816 PolarHBondContact O-N 3.27Å; N816-K820 WeakPolarHBondContact O-CB 3.43Å; N816-K820 PolarHBondContact O-N 3.04Å; N816-K820 VanDerWaalsContact O-N 3.09Å
817	L	89.4	Confident	84	Confident	98 Å²	98	84.2 Å²	84.2	51%	0.513	40%	0.401	S	S	.	.	H	α-helix	trans	-64.9	-44.2	176	-177.4	61.6	0	0	0	111.6	E813 H814 E815 K820 L821	E813-L817 PolarHBondContact O-N 2.95Å; E813-L817 VanDerWaalsContact O-N 3.11Å; H814-L817 PolarHBondContact O-N 2.84Å; E815-L817 VanDerWaalsContact C-N 3.32Å; E815-L817 PolarHBondContact O-N 2.84Å; L817-K820 WeakPolarHBondContact O-CB 3.37Å; L817-K820 PolarHBondContact O-N 2.85Å; L817-L821 HydrophobicContact CG-CD1 4.38Å; L817-L821 WeakPolarHBondContact O-CG 3.1Å; L817-L821 PolarHBondContact O-N 2.77Å
818	R	86.7	Confident	85.5	Confident	133 Å²	133	81.5 Å²	81.5	50%	0.502	39%	0.394	S	S	.	.	H	α-helix	trans	-63.5	-42	177.8	-70.8	-164.7	93.1	131.3	-1.5	112.5	M691 F695 H814 E815 K820 L821 F822	M691-R818 HydrophobicContact CE-CB 4.44Å; F695-R818 HydrophobicContact CZ-CB 3.86Å; H814-R818 PolarHBondContact O-N 2.81Å; E815-R818 PolarHBondContact O-N 2.8Å; R818-K820 VanDerWaalsContact C-N 3.27Å; R818-K820 PolarHBondContact O-N 2.89Å; R818-L821 PolarHBondContact O-N 2.82Å; R818-F822 WeakPolarHBondContact O-CB 3.47Å; R818-F822 PolarHBondContact O-N 3.24Å
819	L	90	Very high	86.9	Confident	30 Å²	30	81.8 Å²	81.8	16%	0.157	40%	0.399	C	S	.	.	H	α-helix	trans	-61.7	-37.4	175	-74	174.3	0	0	0	112.1	K688 M691 K692 F695 E815 D823	K688-L819 HydrophobicContact CG-CD2 4.44Å; M691-L819 HydrophobicContact CB-CD2 4.45Å; K692-L819 HydrophobicContact CG-CD2 4.36Å; F695-L819 HydrophobicContact CD2-CD1 4.47Å; F695-L819 HydrophobicContact CD2-CD2 4.37Å; F695-L819 HydrophobicContact CD2-CG 4.29Å; F695-L819 HydrophobicContact CE2-CD1 4.41Å; F695-L819 HydrophobicContact CE2-CD2 3.83Å; F695-L819 HydrophobicContact CE2-CG 3.76Å; E815-L819 PolarHBondContact O-N 2.81Å; L819-D823 PolarHBondContact O-N 3.41Å
820	K	91.4	Very high	88	Confident	123 Å²	123	76.6 Å²	76.6	54%	0.535	38%	0.378	S	S	.	.	H	α-helix	trans	-66.2	-46.6	177	-172.3	-174.1	175.8	-165.1	0	112	N816 L817 R818 F822 D823 E824	N816-K820 WeakPolarHBondContact O-CB 3.43Å; N816-K820 PolarHBondContact O-N 3.04Å; N816-K820 VanDerWaalsContact O-N 3.09Å; L817-K820 WeakPolarHBondContact O-CB 3.37Å; L817-K820 PolarHBondContact O-N 2.85Å; R818-K820 VanDerWaalsContact C-N 3.27Å; R818-K820 PolarHBondContact O-N 2.89Å; K820-F822 VanDerWaalsContact C-N 3.3Å; K820-F822 PolarHBondContact O-N 3.45Å; K820-D823 PolarHBondContact O-N 2.86Å; K820-E824 VanDerWaalsContact CE-OE1 3.28Å; K820-E824 WeakPolarHBondContact CE-OE1 3.47Å; K820-E824 IonicContact NZ-OE1 3.24Å; K820-E824 WeakPolarHBondContact O-CG 3.5Å; K820-E824 PolarHBondContact O-N 3.45Å
821	L	91.7	Very high	89.1	Confident	82 Å²	82	78.5 Å²	78.5	43%	0.429	38%	0.382	S	S	.	.	H	α-helix	trans	-61.7	-40.5	177.2	-68.8	173.5	0	0	0	111.6	L817 R818 D823 E824 E825	L817-L821 HydrophobicContact CG-CD1 4.38Å; L817-L821 WeakPolarHBondContact O-CG 3.1Å; L817-L821 PolarHBondContact O-N 2.77Å; R818-L821 PolarHBondContact O-N 2.82Å; L821-D823 PolarHBondContact O-N 2.8Å; L821-E824 WeakPolarHBondContact O-CB 3.24Å; L821-E824 PolarHBondContact O-N 3.11Å; L821-E824 VanDerWaalsContact O-N 3.16Å; L821-E825 WeakPolarHBondContact O-CG 3.43Å; L821-E825 PolarHBondContact O-N 2.89Å
822	F	91.1	Very high	90.1	Very high	32 Å²	32	79.4 Å²	79.4	14%	0.14	39%	0.394	C	S	.	.	H	α-helix	trans	-62.3	-40.5	175.6	-176.1	-103.9	0	0	0	113	H684 L687 K688 M691 R818 K820 E824 E825 Y826	H684-F822 AromaticContact CE1-CD1 3.8Å; H684-F822 AromaticContact CE1-CE1 3.51Å; H684-F822 AromaticContact ND1-CE1 3.3Å; H684-F822 VanDerWaalsContact ND1-CE1 3.3Å; H684-F822 WeakPolarHBondContact ND1-CE1 3.19Å; H684-F822 AromaticContact ND1-CZ 3.88Å; L687-F822 HydrophobicContact CB-CE1 4.31Å; L687-F822 HydrophobicContact CB-CE2 4.33Å; L687-F822 HydrophobicContact CB-CZ 3.55Å; L687-F822 HydrophobicContact CD1-CZ 4.26Å; K688-F822 HydrophobicContact CB-CD1 4.4Å; K688-F822 HydrophobicContact CB-CE1 3.92Å; M691-F822 HydrophobicContact CE-CB 4.27Å; M691-F822 HydrophobicContact CE-CG 4.43Å; M691-F822 HydrophobicContact SD-CB 4.02Å; M691-F822 HydrophobicContact SD-CD1 3.93Å; M691-F822 HydrophobicContact SD-CD2 3.62Å; M691-F822 HydrophobicContact SD-CE1 4.33Å; M691-F822 HydrophobicContact SD-CE2 4.05Å; M691-F822 HydrophobicContact SD-CG 3.55Å; M691-F822 VanDerWaalsContact SD-CG 3.55Å; M691-F822 HydrophobicContact SD-CZ 4.39Å; R818-F822 WeakPolarHBondContact O-CB 3.47Å; R818-F822 PolarHBondContact O-N 3.24Å; K820-F822 VanDerWaalsContact C-N 3.3Å; K820-F822 PolarHBondContact O-N 3.45Å; F822-E824 VanDerWaalsContact C-N 3.31Å; F822-E824 PolarHBondContact O-N 3.31Å; F822-E825 PolarHBondContact O-N 3.4Å; F822-Y826 PolarHBondContact O-N 2.91Å; F822-Y826 VanDerWaalsContact O-N 3.1Å
823	D	93.4	Very high	90.9	Very high	56 Å²	56	77.1 Å²	77.1	30%	0.299	38%	0.38	S	S	.	.	H	α-helix	trans	-66	-34	174.4	-74	-19.2	0	0	0	112	H684 K688 L819 K820 L821 A827	H684-D823 IonicContact CE1-OD1 3.6Å; H684-D823 PolarHBondContact CE1-OD1 2.78Å; H684-D823 VanDerWaalsContact CE1-OD1 3.27Å; H684-D823 IonicContact NE2-OD1 3.77Å; H684-D823 PolarHBondContact NE2-OD1 2.85Å; K688-D823 WeakPolarHBondContact CE-OD1 3.33Å; K688-D823 IonicContact NZ-OD1 2.73Å; K688-D823 PolarHBondContact NZ-OD1 2.8Å; K688-D823 IonicContact NZ-OD2 2.64Å; K688-D823 PolarHBondContact NZ-OD2 3.47Å; L819-D823 PolarHBondContact O-N 3.41Å; K820-D823 PolarHBondContact O-N 2.86Å; L821-D823 PolarHBondContact O-N 2.8Å; D823-A827 WeakPolarHBondContact O-CB 3.35Å; D823-A827 PolarHBondContact O-N 3.18Å
824	E	94.4	Very high	91.8	Very high	91 Å²	91	77 Å²	77	43%	0.425	38%	0.378	S	S	.	.	H	α-helix	trans	-69	-40.1	174.6	-71.3	173.2	-170.9	0	0	112.2	K820 L821 F822 A827 N828	K820-E824 VanDerWaalsContact CE-OE1 3.28Å; K820-E824 WeakPolarHBondContact CE-OE1 3.47Å; K820-E824 IonicContact NZ-OE1 3.24Å; K820-E824 WeakPolarHBondContact O-CG 3.5Å; K820-E824 PolarHBondContact O-N 3.45Å; L821-E824 WeakPolarHBondContact O-CB 3.24Å; L821-E824 PolarHBondContact O-N 3.11Å; L821-E824 VanDerWaalsContact O-N 3.16Å; F822-E824 VanDerWaalsContact C-N 3.31Å; F822-E824 PolarHBondContact O-N 3.31Å; E824-A827 PolarHBondContact O-N 3.39Å; E824-N828 PolarHBondContact O-N 2.96Å; E824-N828 PolarHBondContact O-ND2 3.42Å
825	E	92.6	Very high	92.4	Very high	122 Å²	122	76.2 Å²	76.2	57%	0.57	39%	0.386	S	S	*	.	H	α-helix	trans	-60.1	-48.1	173.5	-75.1	173.4	-174.1	0	0	111.6	L821 F822 A827 N828 E829	L821-E825 WeakPolarHBondContact O-CG 3.43Å; L821-E825 PolarHBondContact O-N 2.89Å; F822-E825 PolarHBondContact O-N 3.4Å; E825-A827 VanDerWaalsContact C-N 3.32Å; E825-A827 PolarHBondContact O-N 3.49Å; E825-N828 WeakPolarHBondContact O-CB 3.43Å; E825-N828 PolarHBondContact O-N 3.3Å; E825-N828 VanDerWaalsContact O-N 3.12Å; E825-E829 PolarHBondContact O-N 3.15Å
826	Y	93.2	Very high	92.8	Very high	38 Å²	38	81.4 Å²	81.4	15%	0.149	41%	0.41	C	S	.	.	H	α-helix	trans	-59.9	-41	174.5	167.5	-107.6	0	0	0	112.4	L680 H681 H684 F822 N828 E829 L830	L680-Y826 HydrophobicContact CG-CE2 4.12Å; H681-Y826 PolarHBondContact ND1-OH 3.32Å; H684-Y826 HydrophobicContact CB-CD2 3.37Å; H684-Y826 HydrophobicContact CB-CE2 3.47Å; H684-Y826 VanDerWaalsContact CB-CE2 3.47Å; H684-Y826 HydrophobicContact CB-CG 3.94Å; H684-Y826 AromaticContact CD2-CD1 3.65Å; H684-Y826 AromaticContact CD2-CE1 3.8Å; H684-Y826 AromaticContact CD2-CG 3.77Å; H684-Y826 AromaticContact CE1-CD1 3.85Å; H684-Y826 AromaticContact CE1-CG 3.7Å; H684-Y826 AromaticContact CG-CD1 3.81Å; H684-Y826 AromaticContact CG-CD2 3.41Å; H684-Y826 VanDerWaalsContact CG-CD2 3.41Å; H684-Y826 AromaticContact CG-CE2 3.77Å; H684-Y826 AromaticContact CG-CG 3.4Å; H684-Y826 VanDerWaalsContact CG-CG 3.4Å; H684-Y826 VanDerWaalsContact ND1-CB 3.3Å; H684-Y826 WeakPolarHBondContact ND1-CB 3.43Å; H684-Y826 AromaticContact ND1-CD1 3.94Å; H684-Y826 AromaticContact ND1-CD2 3.74Å; H684-Y826 AromaticContact ND1-CG 3.37Å; H684-Y826 AromaticContact NE2-CD1 3.71Å; H684-Y826 AromaticContact NE2-CG 3.97Å; F822-Y826 PolarHBondContact O-N 2.91Å; F822-Y826 VanDerWaalsContact O-N 3.1Å; Y826-N828 VanDerWaalsContact C-N 3.26Å; Y826-N828 PolarHBondContact O-N 2.84Å; Y826-E829 PolarHBondContact O-N 3.03Å; Y826-L830 WeakPolarHBondContact O-CB 3.33Å; Y826-L830 PolarHBondContact O-N 2.74Å
827	A	94.8	Very high	93.2	Very high	52 Å²	52	77.8 Å²	77.8	43%	0.43	39%	0.39	S	S	.	.	H	α-helix	trans	-61.7	-36.8	176.3	0	0	0	0	0	112	D823 E824 E825 K831	D823-A827 WeakPolarHBondContact O-CB 3.35Å; D823-A827 PolarHBondContact O-N 3.18Å; E824-A827 PolarHBondContact O-N 3.39Å; E825-A827 VanDerWaalsContact C-N 3.32Å; E825-A827 PolarHBondContact O-N 3.49Å; A827-K831 WeakPolarHBondContact O-CB 3.44Å; A827-K831 PolarHBondContact O-N 3.35Å
828	N	95.5	Very high	93.4	Very high	105 Å²	105	80 Å²	80	56%	0.561	40%	0.396	S	S	*	.	H	α-helix	trans	-70.4	-42.3	175.1	-70.5	-36.2	0	0	0	112.3	E824 E825 Y826 K831 A832	E824-N828 PolarHBondContact O-N 2.96Å; E824-N828 PolarHBondContact O-ND2 3.42Å; E825-N828 WeakPolarHBondContact O-CB 3.43Å; E825-N828 PolarHBondContact O-N 3.3Å; E825-N828 VanDerWaalsContact O-N 3.12Å; Y826-N828 VanDerWaalsContact C-N 3.26Å; Y826-N828 PolarHBondContact O-N 2.84Å; N828-K831 WeakPolarHBondContact O-CB 3.4Å; N828-K831 PolarHBondContact O-N 3.37Å; N828-A832 WeakPolarHBondContact O-CB 3.38Å; N828-A832 PolarHBondContact O-N 2.94Å
829	E	94	Very high	93.8	Very high	96 Å²	96	77.1 Å²	77.1	45%	0.449	39%	0.394	S	S	.	.	H	α-helix	trans	-60.9	-47	175.5	-170.5	179	-167.6	0	0	111.1	L680 E825 Y826 K831 A832 W833	L680-E829 HydrophobicContact CD1-CG 4.07Å; E825-E829 PolarHBondContact O-N 3.15Å; Y826-E829 PolarHBondContact O-N 3.03Å; E829-K831 VanDerWaalsContact C-N 3.3Å; E829-K831 PolarHBondContact O-N 3.2Å; E829-A832 PolarHBondContact O-N 3.22Å; E829-W833 PolarHBondContact O-N 3.02Å
830	L	94.9	Very high	94.1	Very high	32 Å²	32	79.4 Å²	79.4	17%	0.168	40%	0.401	C	S	.	.	H	α-helix	trans	-60.1	-40.6	175.7	-175.8	67.6	0	0	0	111.7	L680 Y826 W833 K834	L680-L830 HydrophobicContact CD2-CB 4.32Å; L680-L830 HydrophobicContact CD2-CD1 3.78Å; Y826-L830 WeakPolarHBondContact O-CB 3.33Å; Y826-L830 PolarHBondContact O-N 2.74Å; L830-W833 HydrophobicContact CD1-CE3 3.96Å; L830-W833 HydrophobicContact CD1-CZ3 4.25Å; L830-K834 HydrophobicContact CG-CD 4.34Å; L830-K834 WeakPolarHBondContact O-CB 3.49Å; L830-K834 VanDerWaalsContact O-CG 3.3Å; L830-K834 WeakPolarHBondContact O-CG 3.29Å; L830-K834 PolarHBondContact O-N 3.27Å
831	K	95.5	Very high	94.3	Very high	154 Å²	154	79 Å²	79	67%	0.67	40%	0.399	S	S	*	.	H	α-helix	trans	-65.4	-41.9	176.1	-176.3	-178	178.2	-175.7	0	111.7	A827 N828 E829 K834 A835	A827-K831 WeakPolarHBondContact O-CB 3.44Å; A827-K831 PolarHBondContact O-N 3.35Å; N828-K831 WeakPolarHBondContact O-CB 3.4Å; N828-K831 PolarHBondContact O-N 3.37Å; E829-K831 VanDerWaalsContact C-N 3.3Å; E829-K831 PolarHBondContact O-N 3.2Å; K831-K834 PolarHBondContact O-N 3.28Å; K831-A835 PolarHBondContact O-N 2.66Å
832	A	94.5	Very high	94.4	Very high	51 Å²	51	80.6 Å²	80.6	42%	0.421	40%	0.404	S	S	.	.	H	α-helix	trans	-65.4	-45.8	177.6	0	0	0	0	0	111.5	N828 E829 A835 Q836	N828-A832 WeakPolarHBondContact O-CB 3.38Å; N828-A832 PolarHBondContact O-N 2.94Å; E829-A832 PolarHBondContact O-N 3.22Å; A832-A835 WeakPolarHBondContact O-CB 3Å; A832-A835 PolarHBondContact O-N 2.95Å; A832-Q836 PolarHBondContact O-N 3.03Å
833	W	95.9	Very high	94.7	Very high	30 Å²	30	86.8 Å²	86.8	11%	0.114	43%	0.431	C	S	.	.	H	α-helix	trans	-59.5	-47.1	174.4	171.5	79.1	0	0	0	111.6	W673 E676 E677 L680 E829 L830 A835 Q836 L837	W673-W833 HydrophobicContact CB-CZ2 4.4Å; W673-W833 WeakPolarHBondContact O-CZ2 3.4Å; E676-W833 HydrophobicContact CB-CZ2 4.02Å; E676-W833 PolarHBondContact OE2-NE1 3.05Å; E677-W833 HydrophobicContact CB-CH2 3.49Å; E677-W833 VanDerWaalsContact CB-CH2 3.49Å; E677-W833 HydrophobicContact CB-CZ2 4.13Å; E677-W833 HydrophobicContact CB-CZ3 3.92Å; E677-W833 HydrophobicContact CG-CH2 3.92Å; E677-W833 HydrophobicContact CG-CZ3 3.82Å; L680-W833 HydrophobicContact CD2-CB 4.36Å; L680-W833 HydrophobicContact CD2-CG 4.5Å; E829-W833 PolarHBondContact O-N 3.02Å; L830-W833 HydrophobicContact CD1-CE3 3.96Å; L830-W833 HydrophobicContact CD1-CZ3 4.25Å; W833-A835 PolarHBondContact O-N 3.27Å; W833-Q836 WeakPolarHBondContact O-CB 3.42Å; W833-Q836 PolarHBondContact O-N 2.94Å; W833-L837 HydrophobicContact CH2-CD1 3.74Å; W833-L837 HydrophobicContact CH2-CD2 4.5Å; W833-L837 HydrophobicContact CZ2-CD1 3.99Å; W833-L837 HydrophobicContact CZ2-CD2 3.89Å; W833-L837 HydrophobicContact CZ2-CG 4.36Å; W833-L837 HydrophobicContact CZ3-CD1 4.07Å; W833-L837 PolarHBondContact O-N 3.5Å
834	K	95.4	Very high	94.7	Very high	97 Å²	97	85.9 Å²	85.9	42%	0.422	43%	0.426	S	S	.	.	H	α-helix	trans	-58.4	-34.6	175.5	-76.5	179.7	-179.9	-178.6	0	112.9	E677 L830 K831 Q836 L837	E677-K834 VanDerWaalsContact OE1-CE 3.3Å; E677-K834 WeakPolarHBondContact OE1-CE 3.14Å; E677-K834 IonicContact OE1-NZ 3.55Å; E677-K834 PolarHBondContact OE1-NZ 3.15Å; L830-K834 HydrophobicContact CG-CD 4.34Å; L830-K834 WeakPolarHBondContact O-CB 3.49Å; L830-K834 VanDerWaalsContact O-CG 3.3Å; L830-K834 WeakPolarHBondContact O-CG 3.29Å; L830-K834 PolarHBondContact O-N 3.27Å; K831-K834 PolarHBondContact O-N 3.28Å; K834-Q836 VanDerWaalsContact C-N 3.28Å; K834-Q836 PolarHBondContact O-N 3.27Å; K834-L837 PolarHBondContact O-N 3.06Å
835	A	94.3	Very high	94.8	Very high	66 Å²	66	84.5 Å²	84.5	55%	0.545	42%	0.42	S	S	.	.	H	α-helix	trans	-66.5	-28.6	176.4	0	0	0	0	0	112.9	K831 A832 W833 P839	K831-A835 PolarHBondContact O-N 2.66Å; A832-A835 WeakPolarHBondContact O-CB 3Å; A832-A835 PolarHBondContact O-N 2.95Å; W833-A835 PolarHBondContact O-N 3.27Å; A835-P839 WeakPolarHBondContact O-CD 3.43Å
836	Q	93.9	Very high	95	Very high	116 Å²	116	85.6 Å²	85.6	54%	0.542	43%	0.425	S	S	.	.	H	α-helix	trans	-77.2	-23	178.7	-63	175.5	14.8	0	0	113.4	A832 W833 K834 K838 P839 R840	A832-Q836 PolarHBondContact O-N 3.03Å; W833-Q836 WeakPolarHBondContact O-CB 3.42Å; W833-Q836 PolarHBondContact O-N 2.94Å; K834-Q836 VanDerWaalsContact C-N 3.28Å; K834-Q836 PolarHBondContact O-N 3.27Å; Q836-K838 VanDerWaalsContact C-N 3.3Å; Q836-K838 PolarHBondContact O-N 3.38Å; Q836-P839 WeakPolarHBondContact O-CD 3.45Å; Q836-R840 WeakPolarHBondContact O-CG 3.48Å; Q836-R840 PolarHBondContact O-N 3.26Å
837	L	94.9	Very high	95.1	Very high	29 Å²	29	89.7 Å²	89.7	15%	0.152	44%	0.443	C	S	.	.	H	α-helix	trans	-63.4	-35.6	179.5	-60.1	-177.6	0	0	0	112.5	W673 W833 K834 R840 K841	W673-L837 HydrophobicContact CB-CD2 4.36Å; W673-L837 HydrophobicContact CD2-CD2 3.87Å; W673-L837 HydrophobicContact CG-CD2 3.75Å; W833-L837 HydrophobicContact CH2-CD1 3.74Å; W833-L837 HydrophobicContact CH2-CD2 4.5Å; W833-L837 HydrophobicContact CZ2-CD1 3.99Å; W833-L837 HydrophobicContact CZ2-CD2 3.89Å; W833-L837 HydrophobicContact CZ2-CG 4.36Å; W833-L837 HydrophobicContact CZ3-CD1 4.07Å; W833-L837 PolarHBondContact O-N 3.5Å; K834-L837 PolarHBondContact O-N 3.06Å; L837-R840 PolarHBondContact O-N 3.46Å; L837-K841 WeakPolarHBondContact O-CB 3.45Å; L837-K841 PolarHBondContact O-N 2.95Å
838	K	93.2	Very high	95.1	Very high	145 Å²	145	87.3 Å²	87.3	63%	0.63	42%	0.423	S	S	*	.	H	α-helix	trans	-65.7	-51.4	-178.9	177	-178.6	-177.2	-176.7	0	112.4	Q836 R840 K841 Q842	Q836-K838 VanDerWaalsContact C-N 3.3Å; Q836-K838 PolarHBondContact O-N 3.38Å; K838-R840 VanDerWaalsContact C-N 3.35Å; K838-R840 PolarHBondContact O-N 2.84Å; K838-K841 PolarHBondContact O-N 2.85Å; K838-Q842 WeakPolarHBondContact O-CG 3.48Å; K838-Q842 PolarHBondContact O-N 3.32Å
839	P	95.3	Very high	95.1	Very high	73 Å²	73	85 Å²	85	47%	0.474	42%	0.416	S	S	.	.	H	α-helix	trans	-57.2	-42.2	171.7	-26.9	33.5	0	0	0	113.8	A835 Q836 K841 Q842 K843	A835-P839 WeakPolarHBondContact O-CD 3.43Å; Q836-P839 WeakPolarHBondContact O-CD 3.45Å; P839-K841 PolarHBondContact O-N 2.82Å; P839-Q842 PolarHBondContact O-N 3.49Å; P839-K843 PolarHBondContact O-N 3.49Å
840	R	95.5	Very high	95.1	Very high	77 Å²	77	82.1 Å²	82.1	29%	0.291	41%	0.412	S	S	.	.	H	α-helix	trans	-58.1	-49	176.1	-75.5	175.9	66.1	169	2.6	111.4	E669 W673 E676 Q836 L837 K838 Q842 K843 L844	E669-R840 IonicContact OE1-CZ 4Å; E669-R840 IonicContact OE1-NE 3.66Å; E669-R840 PolarHBondContact OE1-NE 2.88Å; E669-R840 VanDerWaalsContact OE1-NE 3.15Å; E669-R840 IonicContact OE1-NH2 2.71Å; E669-R840 PolarHBondContact OE1-NH2 2.98Å; W673-R840 HydrophobicContact CZ2-CB 4.45Å; E676-R840 VanDerWaalsContact CD-NH1 3.33Å; E676-R840 IonicContact OE1-CZ 3.66Å; E676-R840 IonicContact OE1-NH1 2.88Å; E676-R840 PolarHBondContact OE1-NH1 3.03Å; E676-R840 IonicContact OE1-NH2 3.77Å; E676-R840 PolarHBondContact OE1-NH2 2.96Å; E676-R840 IonicContact OE2-NH1 2.67Å; E676-R840 PolarHBondContact OE2-NH1 3.5Å; Q836-R840 WeakPolarHBondContact O-CG 3.48Å; Q836-R840 PolarHBondContact O-N 3.26Å; L837-R840 PolarHBondContact O-N 3.46Å; K838-R840 VanDerWaalsContact C-N 3.35Å; K838-R840 PolarHBondContact O-N 2.84Å; R840-Q842 PolarHBondContact O-N 2.97Å; R840-K843 PolarHBondContact O-N 3.36Å; R840-L844 PolarHBondContact O-N 3.49Å
841	K	95.5	Very high	95	Very high	115 Å²	115	82.7 Å²	82.7	50%	0.5	41%	0.413	S	S	.	.	H	α-helix	trans	-58.1	-45.7	175.7	-171.7	176.1	177.6	174.4	0	112.2	W673 L837 K838 P839 K843 L844 E845	W673-K841 HydrophobicContact CH2-CB 3.82Å; W673-K841 HydrophobicContact CH2-CD 4.38Å; W673-K841 HydrophobicContact CH2-CG 4.18Å; W673-K841 HydrophobicContact CZ2-CB 4.33Å; L837-K841 WeakPolarHBondContact O-CB 3.45Å; L837-K841 PolarHBondContact O-N 2.95Å; K838-K841 PolarHBondContact O-N 2.85Å; P839-K841 PolarHBondContact O-N 2.82Å; K841-K843 PolarHBondContact O-N 3.48Å; K841-L844 PolarHBondContact O-N 2.68Å; K841-E845 HydrophobicContact CG-CG 4.49Å; K841-E845 WeakPolarHBondContact O-CG 3.26Å; K841-E845 PolarHBondContact O-N 3.4Å
842	Q	95.7	Very high	94.9	Very high	116 Å²	116	77.6 Å²	77.6	54%	0.542	39%	0.393	S	S	.	.	H	α-helix	trans	-61	-45.7	179.8	-75.3	175.4	-27.3	0	0	111.7	K838 P839 R840 L844 E845 E846	K838-Q842 WeakPolarHBondContact O-CG 3.48Å; K838-Q842 PolarHBondContact O-N 3.32Å; P839-Q842 PolarHBondContact O-N 3.49Å; R840-Q842 PolarHBondContact O-N 2.97Å; Q842-L844 VanDerWaalsContact C-N 3.3Å; Q842-L844 PolarHBondContact O-N 3.45Å; Q842-E845 PolarHBondContact O-N 2.83Å; Q842-E846 WeakPolarHBondContact O-CB 3.5Å; Q842-E846 PolarHBondContact O-N 3.2Å
843	K	95.7	Very high	94.7	Very high	162 Å²	162	78.9 Å²	78.9	70%	0.704	39%	0.393	S	S	*	.	H	α-helix	trans	-61.5	-38.7	177.2	-171.8	177.4	-178.1	179.9	0	112.2	P839 R840 K841 K847	P839-K843 PolarHBondContact O-N 3.49Å; R840-K843 PolarHBondContact O-N 3.36Å; K841-K843 PolarHBondContact O-N 3.48Å; K843-K847 PolarHBondContact O-N 2.87Å; K843-K847 VanDerWaalsContact O-N 3.1Å
844	L	94.7	Very high	94.5	Very high	36 Å²	36	84 Å²	84	19%	0.188	42%	0.418	C	S	.	.	H	α-helix	trans	-66.9	-46.5	177	-172.3	66.1	0	0	0	111.8	E669 R840 K841 Q842 K847 F848	E669-L844 HydrophobicContact CB-CD2 3.86Å; E669-L844 HydrophobicContact CG-CD2 3.96Å; R840-L844 PolarHBondContact O-N 3.49Å; K841-L844 PolarHBondContact O-N 2.68Å; Q842-L844 VanDerWaalsContact C-N 3.3Å; Q842-L844 PolarHBondContact O-N 3.45Å; L844-K847 WeakPolarHBondContact O-CB 3.35Å; L844-K847 PolarHBondContact O-N 3.49Å; L844-F848 HydrophobicContact CD1-CE1 3.9Å; L844-F848 HydrophobicContact CD1-CE2 4.05Å; L844-F848 HydrophobicContact CD1-CZ 3.49Å; L844-F848 VanDerWaalsContact CD1-CZ 3.49Å; L844-F848 HydrophobicContact CD2-CE2 3.95Å; L844-F848 HydrophobicContact CD2-CZ 4.03Å; L844-F848 HydrophobicContact CG-CD2 4.31Å; L844-F848 HydrophobicContact CG-CE1 4.32Å; L844-F848 HydrophobicContact CG-CE2 3.58Å; L844-F848 HydrophobicContact CG-CZ 3.58Å; L844-F848 WeakPolarHBondContact O-CG 3.34Å; L844-F848 PolarHBondContact O-N 3.21Å
845	E	96	Very high	94.1	Very high	62 Å²	62	80.9 Å²	80.9	29%	0.29	41%	0.405	S	S	.	.	H	α-helix	trans	-68.7	-32.7	177.7	-65.8	-61.8	162.2	0	0	112.6	R666 K841 Q842 F848 S849	R666-E845 IonicContact CZ-OE1 3.88Å; R666-E845 IonicContact CZ-OE2 3.6Å; R666-E845 IonicContact NE-OE1 3.06Å; R666-E845 PolarHBondContact NE-OE1 2.88Å; R666-E845 IonicContact NE-OE2 3.97Å; R666-E845 IonicContact NH2-OE1 3.8Å; R666-E845 IonicContact NH2-OE2 3.73Å; R666-E845 PolarHBondContact NH2-OE2 3.43Å; K841-E845 HydrophobicContact CG-CG 4.49Å; K841-E845 WeakPolarHBondContact O-CG 3.26Å; K841-E845 PolarHBondContact O-N 3.4Å; Q842-E845 PolarHBondContact O-N 2.83Å; E845-F848 PolarHBondContact O-N 3.16Å; E845-S849 WeakPolarHBondContact O-CB 3.44Å; E845-S849 PolarHBondContact O-N 2.96Å
846	E	95.9	Very high	93.7	Very high	146 Å²	146	82.2 Å²	82.2	68%	0.682	40%	0.4	S	S	*	.	H	α-helix	trans	-62.3	-44	172.2	-177	176.5	-161.5	0	0	111	Q842 S849 G850	Q842-E846 WeakPolarHBondContact O-CB 3.5Å; Q842-E846 PolarHBondContact O-N 3.2Å; E846-S849 PolarHBondContact O-N 3.27Å; E846-G850 PolarHBondContact O-N 3.47Å
847	K	95.6	Very high	93.3	Very high	123 Å²	123	84.3 Å²	84.3	54%	0.535	40%	0.403	S	S	.	.	H	α-helix	trans	-58.9	-48.1	173.7	-177.9	-179.7	175.3	179.9	0	111.4	K843 L844 S849 G850 E851	K843-K847 PolarHBondContact O-N 2.87Å; K843-K847 VanDerWaalsContact O-N 3.1Å; L844-K847 WeakPolarHBondContact O-CB 3.35Å; L844-K847 PolarHBondContact O-N 3.49Å; K847-S849 PolarHBondContact O-N 3.34Å; K847-G850 PolarHBondContact O-N 2.93Å; K847-E851 WeakPolarHBondContact CE-OE1 3.46Å; K847-E851 WeakPolarHBondContact O-CG 3.38Å; K847-E851 PolarHBondContact O-N 3.18Å
848	F	96.2	Very high	92.8	Very high	2 Å²	2	86.4 Å²	86.4	1%	0.009	41%	0.411	C	S	.	.	H	α-helix	trans	-64.4	-39.7	178.7	-64.3	-20.4	0	0	0	112.9	H662 L665 R666 L844 E845 G850 E851 L852	H662-F848 HydrophobicContact CB-CD1 4.31Å; H662-F848 HydrophobicContact CB-CD2 4.06Å; H662-F848 HydrophobicContact CB-CE1 4.46Å; H662-F848 HydrophobicContact CB-CE2 4.21Å; H662-F848 HydrophobicContact CB-CG 4.11Å; H662-F848 HydrophobicContact CB-CZ 4.41Å; H662-F848 AromaticContact CD2-CD1 3.3Å; H662-F848 WeakPolarHBondContact CD2-CD1 3.24Å; H662-F848 AromaticContact CD2-CE1 3.71Å; H662-F848 AromaticContact CD2-CG 3.77Å; H662-F848 PolarHBondContact CE1-O 3.02Å; H662-F848 AromaticContact CG-CD1 3.71Å; H662-F848 AromaticContact CG-CG 3.68Å; H662-F848 AromaticContact ND1-CG 3.86Å; H662-F848 AromaticContact NE2-CD1 3.53Å; H662-F848 AromaticContact NE2-CG 3.98Å; L665-F848 HydrophobicContact CB-CE1 4.08Å; L665-F848 HydrophobicContact CB-CZ 3.57Å; L665-F848 HydrophobicContact CD1-CE1 3.8Å; L665-F848 HydrophobicContact CD1-CZ 4.18Å; R666-F848 HydrophobicContact CG-CD2 4.49Å; R666-F848 HydrophobicContact CG-CE2 3.7Å; L844-F848 HydrophobicContact CD1-CE1 3.9Å; L844-F848 HydrophobicContact CD1-CE2 4.05Å; L844-F848 HydrophobicContact CD1-CZ 3.49Å; L844-F848 VanDerWaalsContact CD1-CZ 3.49Å; L844-F848 HydrophobicContact CD2-CE2 3.95Å; L844-F848 HydrophobicContact CD2-CZ 4.03Å; L844-F848 HydrophobicContact CG-CD2 4.31Å; L844-F848 HydrophobicContact CG-CE1 4.32Å; L844-F848 HydrophobicContact CG-CE2 3.58Å; L844-F848 HydrophobicContact CG-CZ 3.58Å; L844-F848 WeakPolarHBondContact O-CG 3.34Å; L844-F848 PolarHBondContact O-N 3.21Å; E845-F848 PolarHBondContact O-N 3.16Å; F848-G850 VanDerWaalsContact C-N 3.3Å; F848-G850 PolarHBondContact O-N 3.37Å; F848-E851 PolarHBondContact O-N 3.2Å; F848-L852 WeakPolarHBondContact O-CG 3.47Å; F848-L852 PolarHBondContact O-N 2.71Å
849	S	94.5	Very high	92.2	Very high	58 Å²	58	80.1 Å²	80.1	41%	0.406	38%	0.383	S	S	.	.	H	α-helix	trans	-63.5	-38.6	173.9	-172.7	0	0	0	0	111.4	E845 E846 K847 N853	E845-S849 WeakPolarHBondContact O-CB 3.44Å; E845-S849 PolarHBondContact O-N 2.96Å; E846-S849 PolarHBondContact O-N 3.27Å; K847-S849 PolarHBondContact O-N 3.34Å; S849-N853 WeakPolarHBondContact O-CB 3.36Å; S849-N853 PolarHBondContact O-N 3.32Å; S849-N853 PolarHBondContact O-ND2 3.18Å
850	G	94.2	Very high	91.3	Very high	35 Å²	35	82 Å²	82	36%	0.361	39%	0.386	S	S	.	.	H	α-helix	trans	-60.3	-49.5	174	0	0	0	0	0	112.2	E846 K847 F848 L852 N853 E854	E846-G850 PolarHBondContact O-N 3.47Å; K847-G850 PolarHBondContact O-N 2.93Å; F848-G850 VanDerWaalsContact C-N 3.3Å; F848-G850 PolarHBondContact O-N 3.37Å; G850-L852 PolarHBondContact O-N 3.21Å; G850-N853 PolarHBondContact O-N 2.78Å; G850-E854 WeakPolarHBondContact O-CB 3.35Å; G850-E854 PolarHBondContact O-N 2.95Å
851	E	93.5	Very high	89.8	Confident	44 Å²	44	86.7 Å²	86.7	21%	0.206	40%	0.404	C	S	.	.	H	α-helix	trans	-61.1	-41.1	178.3	-70.3	176.6	-169	0	0	112.2	L658 H662 K847 F848 E854 Q855	L658-E851 HydrophobicContact CD2-CB 4.37Å; H662-E851 IonicContact CD2-OE2 3.63Å; H662-E851 IonicContact CE1-OE2 2.89Å; H662-E851 IonicContact NE2-OE2 3.73Å; H662-E851 PolarHBondContact NE2-OE2 2.92Å; K847-E851 WeakPolarHBondContact CE-OE1 3.46Å; K847-E851 WeakPolarHBondContact O-CG 3.38Å; K847-E851 PolarHBondContact O-N 3.18Å; F848-E851 PolarHBondContact O-N 3.2Å; E851-E854 PolarHBondContact O-N 3.32Å; E851-Q855 PolarHBondContact O-N 2.99Å; E851-Q855 VanDerWaalsContact O-N 3.08Å
852	L	91.9	Very high	88.1	Confident	47 Å²	47	83.8 Å²	83.8	25%	0.246	40%	0.396	C	S	.	.	H	α-helix	trans	-65.4	-43.8	175.6	-76.5	166.6	0	0	0	112.3	L658 Q659 F848 G850 E854 Q855 E856	L658-L852 HydrophobicContact CD2-CD2 3.98Å; L658-L852 HydrophobicContact CD2-CG 4.39Å; L658-L852 HydrophobicContact CG-CD2 4.43Å; Q659-L852 HydrophobicContact CG-CD2 4.34Å; F848-L852 WeakPolarHBondContact O-CG 3.47Å; F848-L852 PolarHBondContact O-N 2.71Å; G850-L852 PolarHBondContact O-N 3.21Å; L852-E854 VanDerWaalsContact C-N 3.33Å; L852-E854 PolarHBondContact O-N 3.18Å; L852-Q855 PolarHBondContact O-N 2.85Å; L852-E856 PolarHBondContact O-N 3.34Å
853	N	91.3	Very high	86.2	Confident	77 Å²	77	82.5 Å²	82.5	41%	0.412	39%	0.392	S	S	.	.	H	α-helix	trans	-65.7	-37.3	178.7	-71.1	-20.3	0	0	0	111.8	S849 G850 E856 R857	S849-N853 WeakPolarHBondContact O-CB 3.36Å; S849-N853 PolarHBondContact O-N 3.32Å; S849-N853 PolarHBondContact O-ND2 3.18Å; G850-N853 PolarHBondContact O-N 2.78Å; N853-E856 PolarHBondContact O-N 3.27Å; N853-R857 WeakPolarHBondContact O-CB 3.47Å; N853-R857 VanDerWaalsContact O-CG 3.28Å; N853-R857 WeakPolarHBondContact O-CG 3.37Å; N853-R857 PolarHBondContact O-N 3.09Å
854	E	90.8	Very high	84.2	Confident	138 Å²	138	80.5 Å²	80.5	65%	0.645	39%	0.393	S	S	*	.	H	α-helix	trans	-65.5	-43.4	176.1	-175.9	167.2	-157	0	0	111.5	G850 E851 L852 R857 F858	G850-E854 WeakPolarHBondContact O-CB 3.35Å; G850-E854 PolarHBondContact O-N 2.95Å; E851-E854 PolarHBondContact O-N 3.32Å; L852-E854 VanDerWaalsContact C-N 3.33Å; L852-E854 PolarHBondContact O-N 3.18Å; E854-R857 PolarHBondContact O-N 2.75Å; E854-F858 WeakPolarHBondContact O-CB 3.48Å; E854-F858 PolarHBondContact O-N 3.46Å
855	Q	87.4	Confident	81.8	Confident	31 Å²	31	82 Å²	82	15%	0.145	42%	0.417	C	S	.	.	H	α-helix	trans	-61.1	-45.2	174	-174.8	-178.7	54.8	0	0	111.7	E654 L658 E851 L852 F858 Y859	E654-Q855 PolarHBondContact O-NE2 3.45Å; E654-Q855 VanDerWaalsContact O-NE2 3.11Å; L658-Q855 HydrophobicContact CD2-CB 4.23Å; E851-Q855 PolarHBondContact O-N 2.99Å; E851-Q855 VanDerWaalsContact O-N 3.08Å; L852-Q855 PolarHBondContact O-N 2.85Å; Q855-F858 WeakPolarHBondContact O-CB 3.15Å; Q855-F858 PolarHBondContact O-N 2.91Å; Q855-Y859 HydrophobicContact CG-CD2 4.06Å; Q855-Y859 HydrophobicContact CG-CE2 4.1Å; Q855-Y859 WeakPolarHBondContact O-CD2 3.45Å; Q855-Y859 PolarHBondContact O-N 3.49Å; Q855-Y859 VanDerWaalsContact O-N 3.17Å
856	E	86.3	Confident	78.9	Confident	94 Å²	94	83.1 Å²	83.1	44%	0.439	43%	0.432	S	S	.	.	H	α-helix	trans	-61.3	-46.8	177.6	-172.3	164.7	-131.5	0	0	111.4	L852 N853 F858 Y859 E860	L852-E856 PolarHBondContact O-N 3.34Å; N853-E856 PolarHBondContact O-N 3.27Å; E856-F858 VanDerWaalsContact C-N 3.27Å; E856-F858 PolarHBondContact O-N 3.41Å; E856-Y859 PolarHBondContact O-N 2.99Å; E856-Y859 VanDerWaalsContact O-N 3.16Å; E856-E860 HydrophobicContact CG-CG 4.38Å; E856-E860 WeakPolarHBondContact O-CG 3.33Å; E856-E860 PolarHBondContact O-N 2.86Å
857	R	86.3	Confident	76.1	Confident	160 Å²	160	81.3 Å²	81.3	60%	0.604	43%	0.433	S	S	*	.	H	α-helix	trans	-61.7	-31.3	175.5	-76	177.7	177.5	-169.9	1.1	113.8	N853 E854 R861	N853-R857 WeakPolarHBondContact O-CB 3.47Å; N853-R857 VanDerWaalsContact O-CG 3.28Å; N853-R857 WeakPolarHBondContact O-CG 3.37Å; N853-R857 PolarHBondContact O-N 3.09Å; E854-R857 PolarHBondContact O-N 2.75Å; R857-R861 WeakPolarHBondContact O-CG 3.4Å; R857-R861 PolarHBondContact O-N 3.47Å; R857-R861 PolarHBondContact O-NE 3.2Å
858	F	83.1	Confident	73.4	Confident	74 Å²	74	80.7 Å²	80.7	33%	0.325	44%	0.444	S	S	.	.	H	α-helix	trans	-67.5	-43	176.1	178.7	-96.8	0	0	0	110.8	E854 Q855 E856 T862 R873	E854-F858 WeakPolarHBondContact O-CB 3.48Å; E854-F858 PolarHBondContact O-N 3.46Å; Q855-F858 WeakPolarHBondContact O-CB 3.15Å; Q855-F858 PolarHBondContact O-N 2.91Å; E856-F858 VanDerWaalsContact C-N 3.27Å; E856-F858 PolarHBondContact O-N 3.41Å; F858-T862 PolarHBondContact O-N 3.37Å; F858-T862 PolarHBondContact O-OG1 3.26Å; F858-R873 HydrophobicContact CZ-CG 4.4Å
859	Y	80.4	Confident	70.9	Confident	13 Å²	13	86.1 Å²	86.1	5%	0.051	47%	0.472	C	S	.	.	H	α-helix	trans	-80.8	-33.4	-179.2	-76.9	-67.8	0	0	0	114.4	T651 E654 Q855 E856 T862 L863 R873	T651-Y859 HydrophobicContact CG2-CD1 4.13Å; T651-Y859 HydrophobicContact CG2-CD2 3.71Å; T651-Y859 HydrophobicContact CG2-CE2 4.38Å; T651-Y859 HydrophobicContact CG2-CG 3.58Å; T651-Y859 WeakPolarHBondContact OG1-CD1 3.38Å; T651-Y859 WeakPolarHBondContact OG1-CE1 3.43Å; T651-Y859 VanDerWaalsContact OG1-CG 3.29Å; E654-Y859 PolarHBondContact OE1-OH 3.36Å; E654-Y859 WeakPolarHBondContact OE2-CE2 3.23Å; E654-Y859 PolarHBondContact OE2-OH 2.9Å; Q855-Y859 HydrophobicContact CG-CD2 4.06Å; Q855-Y859 HydrophobicContact CG-CE2 4.1Å; Q855-Y859 WeakPolarHBondContact O-CD2 3.45Å; Q855-Y859 PolarHBondContact O-N 3.49Å; Q855-Y859 VanDerWaalsContact O-N 3.17Å; E856-Y859 PolarHBondContact O-N 2.99Å; E856-Y859 VanDerWaalsContact O-N 3.16Å; Y859-T862 WeakPolarHBondContact O-CB 3.44Å; Y859-T862 PolarHBondContact O-N 3.01Å; Y859-L863 PolarHBondContact O-N 2.94Å; Y859-R873 PolarHBondContact OH-NH2 3.49Å
860	E	76.5	Confident	68.3	Low	111 Å²	111	91.9 Å²	91.9	52%	0.519	50%	0.498	S	S	.	.	H	α-helix	trans	-60.8	-46.9	172.8	-78	-175.1	160.9	0	0	111.8	E856 T862 L863 T864	E856-E860 HydrophobicContact CG-CG 4.38Å; E856-E860 WeakPolarHBondContact O-CG 3.33Å; E856-E860 PolarHBondContact O-N 2.86Å; E860-T862 PolarHBondContact O-N 3.38Å; E860-L863 PolarHBondContact O-N 2.96Å; E860-L863 VanDerWaalsContact O-N 3.14Å; E860-T864 PolarHBondContact O-N 3.06Å; E860-T864 PolarHBondContact O-OG1 3.35Å
861	R	65.3	Low	65.7	Low	177 Å²	177	95 Å²	95	67%	0.668	52%	0.515	S	S	*	.	H	α-helix	trans	-61	-28.3	176.5	-80.8	-171	-96.1	-163.1	-3.6	113	R857	R857-R861 WeakPolarHBondContact O-CG 3.4Å; R857-R861 PolarHBondContact O-N 3.47Å; R857-R861 PolarHBondContact O-NE 3.2Å
862	T	58.7	Low	63.2	Low	54 Å²	54	96.3 Å²	96.3	33%	0.331	53%	0.525	S	S	.	.	H	α-helix	trans	-78.3	-33.4	178.8	-53.4	0	0	0	0	111.8	F858 Y859 E860	F858-T862 PolarHBondContact O-N 3.37Å; F858-T862 PolarHBondContact O-OG1 3.26Å; Y859-T862 WeakPolarHBondContact O-CB 3.44Å; Y859-T862 PolarHBondContact O-N 3.01Å; E860-T862 PolarHBondContact O-N 3.38Å
863	L	55.9	Low	60.9	Low	88 Å²	88	98.6 Å²	98.6	46%	0.461	53%	0.53	S	S	.	.	H	α-helix	trans	-76.3	-29.5	178.4	-73.3	163.9	0	0	0	113.3	Y859 E860 G865	Y859-L863 PolarHBondContact O-N 2.94Å; E860-L863 PolarHBondContact O-N 2.96Å; E860-L863 VanDerWaalsContact O-N 3.14Å; L863-G865 PolarHBondContact O-N 2.92Å; L863-G865 VanDerWaalsContact O-N 3.13Å
864	T	53	Low	58.4	Low	121 Å²	121	103.8 Å²	103.8	74%	0.742	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.8	22.6	-177.1	57.4	0	0	0	0	115.3	E860	E860-T864 PolarHBondContact O-N 3.06Å; E860-T864 PolarHBondContact O-OG1 3.35Å
865	G	44.5	Very low	55.8	Low	67 Å²	67	101.4 Å²	101.4	69%	0.691	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	82.5	38.7	160.3	0	0	0	0	0	117.6	L863	L863-G865 PolarHBondContact O-N 2.92Å; L863-G865 VanDerWaalsContact O-N 3.13Å
866	S	36	Very low	53.4	Low	86 Å²	86	104.7 Å²	104.7	60%	0.601	58%	0.576	S	S	*	*			trans	-90.5	131	162.3	-176.7	0	0	0	0	110.8
867	P	37.7	Very low	51.1	Low	108 Å²	108	106.8 Å²	106.8	70%	0.701	58%	0.581	S	S	*	*			trans	-68.5	136.7	-178.3	-9	23.5	0	0	0	112.1
868	S	38.8	Very low	48.7	Very low	109 Å²	109	107.6 Å²	107.6	76%	0.762	60%	0.604	S	S	*	*			trans	47.3	96.1	158.4	66.3	0	0	0	0	118.3
869	L	43.2	Very low	47	Very low	116 Å²	116	109.3 Å²	109.3	61%	0.607	62%	0.618	S	S	*	*			trans	-123.6	46.3	163	-77.8	169.8	0	0	0	112.3	S871 V872	L869-S871 PolarHBondContact O-N 3.1Å; L869-V872 HydrophobicContact CD2-CG2 3.7Å; L869-V872 PolarHBondContact O-N 3.09Å
870	L	39.6	Very low	45.2	Very low	179 Å²	179	114.4 Å²	114.4	94%	0.937	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59	-0.8	163.9	-88.5	162.1	0	0	0	113.1
871	S	40.1	Very low	43.5	Very low	102 Å²	102	114.6 Å²	114.6	71%	0.713	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.4	0.8	-179.2	85	0	0	0	0	116.6	L869	L869-S871 PolarHBondContact O-N 3.1Å
872	V	41.2	Very low	42.2	Very low	71 Å²	71	110.9 Å²	110.9	43%	0.43	65%	0.654	S	S	.	*	S	Bend	trans	-108.5	-11.1	-176.2	-179.7	0	0	0	0	114.2	L869 H874 S875	L869-V872 HydrophobicContact CD2-CG2 3.7Å; L869-V872 PolarHBondContact O-N 3.09Å; V872-H874 PolarHBondContact O-N 2.88Å; V872-S875 PolarHBondContact O-N 3.25Å
873	R	44.1	Very low	41.2	Very low	94 Å²	94	114.4 Å²	114.4	36%	0.355	67%	0.674	S	S	.	*	G	3₁₀ helix	trans	-66	-10.3	-177.9	-84.2	-177.4	165.4	-168.8	-11.7	116	E570 F858 Y859 S875	E570-R873 IonicContact OE1-CZ 3.5Å; E570-R873 IonicContact OE1-NH1 2.69Å; E570-R873 PolarHBondContact OE1-NH1 3.36Å; E570-R873 IonicContact OE1-NH2 4Å; F858-R873 HydrophobicContact CZ-CG 4.4Å; Y859-R873 PolarHBondContact OH-NH2 3.49Å; R873-S875 VanDerWaalsContact C-N 3.33Å; R873-S875 PolarHBondContact O-N 3.01Å
874	H	37.2	Very low	40.2	Very low	186 Å²	186	116.2 Å²	116.2	86%	0.861	69%	0.688	S	S	*	*	G	3₁₀ helix	trans	-80.6	-3.2	178.6	-97.7	71.3	0	0	0	115	V872	V872-H874 PolarHBondContact O-N 2.88Å
875	S	37.2	Very low	39.3	Very low	88 Å²	88	115.9 Å²	115.9	62%	0.615	69%	0.685	S	S	*	*	G	3₁₀ helix	trans	-100.4	-8.3	-174.5	-167.8	0	0	0	0	116.2	V872 R873	V872-S875 PolarHBondContact O-N 3.25Å; R873-S875 VanDerWaalsContact C-N 3.33Å; R873-S875 PolarHBondContact O-N 3.01Å
876	C	37.1	Very low	38.9	Very low	100 Å²	100	119.6 Å²	119.6	68%	0.676	68%	0.684	S	S	*	*	S	Bend	trans	-106.7	1.7	-175.5	-63.1	0	0	0	0	114.4
877	Y	37.4	Very low	39.1	Very low	138 Å²	138	122.4 Å²	122.4	54%	0.541	69%	0.691	S	S	.	*			trans	-103.8	7.9	-179.5	-76.1	-76.8	0	0	0	113.9
878	T	36.3	Very low	39.3	Very low	178 Å²	178	123.7 Å²	123.7	100%	1.092	69%	0.69	S	S	*	*			trans	-113.2	0	165.8	56	0	0	0	0	108.4

Retrieved 878 of 878 residues in 327.9 ms (Link to these results)

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