A0A087YKP2_POEFO Loading...

LUC7-like (S. cerevisiae)

AlphaFold DB , UniProt , Accession A0A087YKP2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 363 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	54.8	Low	70	Confident	207 Å²	207	98.9 Å²	98.9	100%	1.02	54%	0.537	S	S	*	.				0	154.5	0	-65.3	179	178.8	0	0	108.6	Q6	M1-Q6 HydrophobicContact CB-CG 4.28Å
2	S	77.8	Confident	69.8	Low	67 Å²	67	92.8 Å²	92.8	47%	0.469	50%	0.503	S	S	.	.			trans	-79.5	153.6	172.3	65.1	0	0	0	0	111.1	Q4 A5 Q6	S2-Q4 PolarHBondContact O-N 3Å; S2-A5 WeakPolarHBondContact O-CB 3.11Å; S2-A5 PolarHBondContact O-N 3.18Å; S2-A5 PolarHBondContact OG-N 2.96Å; S2-Q6 PolarHBondContact O-N 2.92Å; S2-Q6 VanDerWaalsContact O-N 3.09Å
3	A	73.9	Confident	69.5	Low	63 Å²	63	93 Å²	93	52%	0.521	50%	0.499	S	S	.	.	H	α-helix	trans	-59.1	-33.5	176.4	0	0	0	0	0	112.2	Q6 M7	A3-Q6 PolarHBondContact O-N 3.3Å; A3-M7 HydrophobicContact CB-CE 4.27Å; A3-M7 WeakPolarHBondContact O-CB 3.34Å; A3-M7 WeakPolarHBondContact O-CE 3.45Å; A3-M7 WeakPolarHBondContact O-CG 3.49Å; A3-M7 PolarHBondContact O-N 2.91Å
4	Q	74.1	Confident	69.2	Low	155 Å²	155	96.3 Å²	96.3	72%	0.724	52%	0.515	S	S	*	.	H	α-helix	trans	-63.6	-39.3	173.2	-69.5	174.4	-16.5	0	0	112.6	S2 R8	S2-Q4 PolarHBondContact O-N 3Å; Q4-R8 WeakPolarHBondContact O-CB 3.31Å; Q4-R8 PolarHBondContact O-N 3.02Å
5	A	68.4	Low	68.7	Low	46 Å²	46	97.3 Å²	97.3	38%	0.38	52%	0.518	S	S	.	.	H	α-helix	trans	-68.3	-37.7	175.5	0	0	0	0	0	111.9	S2 R8 A9	S2-A5 WeakPolarHBondContact O-CB 3.11Å; S2-A5 PolarHBondContact O-N 3.18Å; S2-A5 PolarHBondContact OG-N 2.96Å; A5-R8 PolarHBondContact O-N 3.06Å; A5-A9 WeakPolarHBondContact O-CB 3.3Å; A5-A9 PolarHBondContact O-N 2.97Å
6	Q	72.8	Confident	68.4	Low	117 Å²	117	91.4 Å²	91.4	55%	0.547	49%	0.487	S	S	.	.	H	α-helix	trans	-67	-44.3	174.8	-69.8	174	-44.2	0	0	111.9	M1 S2 A3 R8 A9 L10	M1-Q6 HydrophobicContact CB-CG 4.28Å; S2-Q6 PolarHBondContact O-N 2.92Å; S2-Q6 VanDerWaalsContact O-N 3.09Å; A3-Q6 PolarHBondContact O-N 3.3Å; Q6-R8 VanDerWaalsContact C-N 3.35Å; Q6-R8 PolarHBondContact O-N 3.3Å; Q6-A9 PolarHBondContact O-N 2.97Å; Q6-L10 WeakPolarHBondContact O-CB 3.27Å; Q6-L10 PolarHBondContact O-N 3.36Å
7	M	72	Confident	68.1	Low	107 Å²	107	89.1 Å²	89.1	53%	0.527	48%	0.477	S	S	.	.	H	α-helix	trans	-62.6	-39.6	173.5	-74.7	-176.1	-78	0	0	111.9	A3 L10 L11	A3-M7 HydrophobicContact CB-CE 4.27Å; A3-M7 WeakPolarHBondContact O-CB 3.34Å; A3-M7 WeakPolarHBondContact O-CE 3.45Å; A3-M7 WeakPolarHBondContact O-CG 3.49Å; A3-M7 PolarHBondContact O-N 2.91Å; M7-L10 PolarHBondContact O-N 2.97Å; M7-L11 WeakPolarHBondContact O-CB 3.47Å; M7-L11 WeakPolarHBondContact O-CD1 3.36Å; M7-L11 WeakPolarHBondContact O-CG 3.47Å; M7-L11 PolarHBondContact O-N 3.41Å
8	R	69	Low	67.4	Low	98 Å²	98	88.7 Å²	88.7	37%	0.37	49%	0.489	S	S	.	.	H	α-helix	trans	-63.9	-45.6	174.1	-164.9	174.3	-169.5	-178.7	0.7	111.6	Q4 A5 Q6 L10 L11 D12 D20	Q4-R8 WeakPolarHBondContact O-CB 3.31Å; Q4-R8 PolarHBondContact O-N 3.02Å; A5-R8 PolarHBondContact O-N 3.06Å; Q6-R8 VanDerWaalsContact C-N 3.35Å; Q6-R8 PolarHBondContact O-N 3.3Å; R8-L10 VanDerWaalsContact C-N 3.32Å; R8-L10 PolarHBondContact O-N 3.19Å; R8-L11 CarbonylContact O-C 3.6Å; R8-L11 PolarHBondContact O-N 3.29Å; R8-L11 VanDerWaalsContact O-N 3.1Å; R8-D12 WeakPolarHBondContact O-CB 3.45Å; R8-D12 VanDerWaalsContact O-CG 3.26Å; R8-D12 PolarHBondContact O-N 2.9Å; R8-D20 IonicContact CZ-OD2 3.33Å; R8-D20 IonicContact NE-OD2 3.2Å; R8-D20 PolarHBondContact NE-OD2 3.4Å; R8-D20 IonicContact NH2-OD2 2.68Å; R8-D20 PolarHBondContact NH2-OD2 3.29Å
9	A	66.6	Low	66.9	Low	50 Å²	50	89.8 Å²	89.8	41%	0.413	49%	0.485	S	S	.	.	H	α-helix	trans	-60.5	-39.1	176.6	0	0	0	0	0	113	A5 Q6 L11 Q13	A5-A9 WeakPolarHBondContact O-CB 3.3Å; A5-A9 PolarHBondContact O-N 2.97Å; Q6-A9 PolarHBondContact O-N 2.97Å; A9-L11 VanDerWaalsContact C-N 3.33Å; A9-Q13 VanDerWaalsContact O-CG 3.31Å; A9-Q13 WeakPolarHBondContact O-CG 3.49Å; A9-Q13 PolarHBondContact O-N 3.08Å
10	L	71.9	Confident	66.3	Low	111 Å²	111	87.2 Å²	87.2	58%	0.581	47%	0.47	S	S	*	.	H	α-helix	trans	-66.6	-32.8	174.6	-174.5	67.7	0	0	0	112.6	Q6 M7 R8 L14	Q6-L10 WeakPolarHBondContact O-CB 3.27Å; Q6-L10 PolarHBondContact O-N 3.36Å; M7-L10 PolarHBondContact O-N 2.97Å; R8-L10 VanDerWaalsContact C-N 3.32Å; R8-L10 PolarHBondContact O-N 3.19Å; L10-L14 PolarHBondContact O-N 2.93Å
11	L	68.7	Low	65.7	Low	67 Å²	67	86.5 Å²	86.5	35%	0.351	48%	0.483	S	S	.	.	H	α-helix	trans	-80	-36.4	177	-69.2	162.6	0	0	0	112	M7 R8 A9 Q13 L14 M15	M7-L11 WeakPolarHBondContact O-CB 3.47Å; M7-L11 WeakPolarHBondContact O-CD1 3.36Å; M7-L11 WeakPolarHBondContact O-CG 3.47Å; M7-L11 PolarHBondContact O-N 3.41Å; R8-L11 CarbonylContact O-C 3.6Å; R8-L11 PolarHBondContact O-N 3.29Å; R8-L11 VanDerWaalsContact O-N 3.1Å; A9-L11 VanDerWaalsContact C-N 3.33Å; L11-Q13 VanDerWaalsContact C-N 3.3Å; L11-Q13 PolarHBondContact O-N 3.43Å; L11-L14 PolarHBondContact O-N 3.05Å; L11-L14 VanDerWaalsContact O-N 3.1Å; L11-M15 WeakPolarHBondContact O-CB 3.31Å; L11-M15 PolarHBondContact O-N 3.29Å
12	D	67.9	Low	65.3	Low	25 Å²	25	79.4 Å²	79.4	13%	0.134	45%	0.449	C	S	.	.	H	α-helix	trans	-64.3	-34.9	173	-70.4	4	0	0	0	110.4	R8 L14 G16 R25 A66	R8-D12 WeakPolarHBondContact O-CB 3.45Å; R8-D12 VanDerWaalsContact O-CG 3.26Å; R8-D12 PolarHBondContact O-N 2.9Å; D12-L14 VanDerWaalsContact C-N 3.34Å; D12-G16 PolarHBondContact O-N 3.06Å; D12-R25 IonicContact OD2-CZ 2.66Å; D12-R25 IonicContact OD2-NH1 3.72Å; D12-R25 PolarHBondContact OD2-NH1 2.9Å; D12-A66 HydrophobicContact CB-CB 4.46Å
13	Q	65.2	Low	64.1	Low	96 Å²	96	83.7 Å²	83.7	45%	0.449	46%	0.462	S	S	.	.	H	α-helix	trans	-62.1	-35.2	169.1	-79.3	172.7	10.2	0	0	113.6	A9 L11 L65	A9-Q13 VanDerWaalsContact O-CG 3.31Å; A9-Q13 WeakPolarHBondContact O-CG 3.49Å; A9-Q13 PolarHBondContact O-N 3.08Å; L11-Q13 VanDerWaalsContact C-N 3.3Å; L11-Q13 PolarHBondContact O-N 3.43Å; Q13-L65 HydrophobicContact CG-CB 3.91Å; Q13-L65 HydrophobicContact CG-CD1 3.66Å; Q13-L65 HydrophobicContact CG-CG 4.38Å; Q13-L65 VanDerWaalsContact NE2-CD1 3.29Å
14	L	65.1	Low	63	Low	139 Å²	139	85.4 Å²	85.4	73%	0.728	47%	0.466	S	S	*	.	H	α-helix	trans	-91.6	-26.7	-171.3	-158.4	79.2	0	0	0	113.1	L10 L11 D12	L10-L14 PolarHBondContact O-N 2.93Å; L11-L14 PolarHBondContact O-N 3.05Å; L11-L14 VanDerWaalsContact O-N 3.1Å; D12-L14 VanDerWaalsContact C-N 3.34Å
15	M	61.7	Low	62	Low	112 Å²	112	84 Å²	84	55%	0.552	46%	0.455	S	S	*	.	H	α-helix	trans	-120.8	-5.3	-168	-60.6	-72.8	-69.6	0	0	114.7	L11 R19	L11-M15 WeakPolarHBondContact O-CB 3.31Å; L11-M15 PolarHBondContact O-N 3.29Å; M15-R19 HydrophobicContact CB-CB 3.85Å; M15-R19 HydrophobicContact CB-CG 3.85Å; M15-R19 HydrophobicContact CE-CG 4.15Å; M15-R19 HydrophobicContact CG-CG 4.25Å
16	G	65.2	Low	61.3	Low	3 Å²	3	86.4 Å²	86.4	3%	0.031	46%	0.458	C	S	.	.			trans	69.5	-174.2	179.4	0	0	0	0	0	113.7	D12 A18	D12-G16 PolarHBondContact O-N 3.06Å; G16-A18 PolarHBondContact O-N 3.39Å
17	T	62.8	Low	60.5	Low	51 Å²	51	91.1 Å²	91.1	31%	0.313	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-14.5	-175.8	60	0	0	0	0	113.8	R19 A66 L67 D70	T17-R19 VanDerWaalsContact C-N 3.31Å; T17-R19 PolarHBondContact O-N 3.06Å; T17-A66 HydrophobicContact CG2-CB 3.56Å; T17-L67 HydrophobicContact CG2-CD2 3.85Å; T17-L67 HydrophobicContact CG2-CG 4.44Å; T17-D70 WeakPolarHBondContact CB-OD2 3.44Å; T17-D70 WeakPolarHBondContact CG2-OD2 3.44Å; T17-D70 PolarHBondContact N-OD1 2.89Å; T17-D70 PolarHBondContact OG1-OD2 3.15Å
18	A	54.9	Low	60	Low	83 Å²	83	88.3 Å²	88.3	69%	0.686	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-7.7	-174.6	0	0	0	0	0	115	G16	G16-A18 PolarHBondContact O-N 3.39Å
19	R	58.5	Low	60.1	Low	110 Å²	110	89.7 Å²	89.7	42%	0.415	47%	0.468	S	S	.	.	S	Bend	trans	-71.6	-50.5	-172.4	-163.1	-160.5	93.2	135.4	6.3	113.5	M15 T17	M15-R19 HydrophobicContact CB-CB 3.85Å; M15-R19 HydrophobicContact CB-CG 3.85Å; M15-R19 HydrophobicContact CE-CG 4.15Å; M15-R19 HydrophobicContact CG-CG 4.25Å; T17-R19 VanDerWaalsContact C-N 3.31Å; T17-R19 PolarHBondContact O-N 3.06Å
20	D	54	Low	60.2	Low	37 Å²	37	89.8 Å²	89.8	20%	0.198	46%	0.459	C	S	.	.	S	Bend	trans	-96.3	117.3	177.8	-63.7	-6.2	0	0	0	106.5	R8 D22	R8-D20 IonicContact CZ-OD2 3.33Å; R8-D20 IonicContact NE-OD2 3.2Å; R8-D20 PolarHBondContact NE-OD2 3.4Å; R8-D20 IonicContact NH2-OD2 2.68Å; R8-D20 PolarHBondContact NH2-OD2 3.29Å; D20-D22 PolarHBondContact O-N 3.3Å
21	G	54.1	Low	60.2	Low	72 Å²	72	87.8 Å²	87.8	74%	0.742	45%	0.451	S	S	*	.			trans	-71.4	41.4	-174.5	0	0	0	0	0	115.2
22	D	47.4	Very low	60.6	Low	58 Å²	58	87.4 Å²	87.4	31%	0.31	45%	0.45	S	S	.	.			trans	-95.4	97.4	-170.2	-172	-17.5	0	0	0	110.7	D20 T24 R25 Q26	D20-D22 PolarHBondContact O-N 3.3Å; D22-T24 PolarHBondContact O-N 3.48Å; D22-T24 VanDerWaalsContact OD1-CB 3.31Å; D22-T24 WeakPolarHBondContact OD1-CB 3.33Å; D22-T24 WeakPolarHBondContact OD1-CG2 3.46Å; D22-T24 PolarHBondContact OD1-N 3.25Å; D22-T24 VanDerWaalsContact OD1-N 3.08Å; D22-T24 PolarHBondContact OD1-OG1 2.97Å; D22-R25 PolarHBondContact O-N 3.05Å; D22-R25 VanDerWaalsContact O-N 3.09Å; D22-Q26 PolarHBondContact O-N 3.18Å
23	E	52.1	Low	60.9	Low	157 Å²	157	94 Å²	94	73%	0.734	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-17.2	179.2	-62.4	-168.4	138.1	0	0	113.8
24	T	51.1	Low	61.6	Low	99 Å²	99	98.7 Å²	98.7	61%	0.607	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-38.7	178	73.2	0	0	0	0	112	D22	D22-T24 PolarHBondContact O-N 3.48Å; D22-T24 VanDerWaalsContact OD1-CB 3.31Å; D22-T24 WeakPolarHBondContact OD1-CB 3.33Å; D22-T24 WeakPolarHBondContact OD1-CG2 3.46Å; D22-T24 PolarHBondContact OD1-N 3.25Å; D22-T24 VanDerWaalsContact OD1-N 3.08Å; D22-T24 PolarHBondContact OD1-OG1 2.97Å
25	R	52.5	Low	62.3	Low	127 Å²	127	92.2 Å²	92.2	48%	0.479	46%	0.46	S	S	.	.	G	3₁₀ helix	trans	-74.8	-33.1	176.1	-76	-178.2	161.3	-152.8	-9.5	112.2	D12 D22 R27	D12-R25 IonicContact OD2-CZ 2.66Å; D12-R25 IonicContact OD2-NH1 3.72Å; D12-R25 PolarHBondContact OD2-NH1 2.9Å; D22-R25 PolarHBondContact O-N 3.05Å; D22-R25 VanDerWaalsContact O-N 3.09Å; R25-R27 PolarHBondContact O-N 2.9Å
26	Q	53.6	Low	63.2	Low	96 Å²	96	87 Å²	87	45%	0.449	43%	0.434	S	S	.	.	G	3₁₀ helix	trans	-66.3	1.4	-178.7	-63.7	178.4	6.7	0	0	115.1	D22	D22-Q26 PolarHBondContact O-N 3.18Å
27	R	55.2	Low	64	Low	215 Å²	215	88.7 Å²	88.7	81%	0.811	44%	0.441	S	S	*	.	G	3₁₀ helix	trans	-76.5	-17.2	178.9	-70.4	-169.9	175.4	-126.6	-0.5	114.9	R25	R25-R27 PolarHBondContact O-N 2.9Å
28	V	63.5	Low	64.9	Low	48 Å²	48	86.5 Å²	86.5	29%	0.291	43%	0.428	S	S	.	.	S	Bend	trans	-107	124.9	172.5	-176.1	0	0	0	0	108.5	V35 I62 L67	V28-V35 HydrophobicContact CG1-CG2 3.63Å; V28-I62 HydrophobicContact CG1-CD1 4.3Å; V28-I62 HydrophobicContact CG2-CD1 4.5Å; V28-L67 HydrophobicContact CG1-CD1 4.1Å
29	K	69.2	Low	66.2	Low	128 Å²	128	82.9 Å²	82.9	56%	0.557	40%	0.396	S	S	*	.			trans	-105.5	151.6	177.2	-66.7	176.8	-179.7	176.6	0	109.8	T31 D32 V35	K29-T31 WeakPolarHBondContact CB-OG1 3.29Å; K29-T31 PolarHBondContact O-N 2.65Å; K29-D32 PolarHBondContact N-OD2 3.2Å; K29-D32 WeakPolarHBondContact O-CB 3.31Å; K29-D32 PolarHBondContact O-N 2.88Å; K29-V35 WeakPolarHBondContact O-CG2 3.44Å
30	F	69.5	Low	67.3	Low	52 Å²	52	77.8 Å²	77.8	23%	0.228	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-13.5	173.4	67.7	-98.7	0	0	0	113.8	L40 L67 D70 Y71 A74 L80 F82	F30-L40 HydrophobicContact CB-CD1 4.41Å; F30-L67 HydrophobicContact CB-CB 4.48Å; F30-D70 HydrophobicContact CD1-CB 4.23Å; F30-Y71 HydrophobicContact CD2-CD2 4.46Å; F30-A74 HydrophobicContact CE1-CB 4.19Å; F30-A74 HydrophobicContact CE2-CB 4.11Å; F30-A74 HydrophobicContact CZ-CB 3.69Å; F30-L80 HydrophobicContact CD2-CD1 4.45Å; F30-L80 HydrophobicContact CE2-CD1 3.71Å; F30-F82 HydrophobicContact CD2-CE2 4.27Å
31	T	72.1	Confident	68.4	Low	68 Å²	68	77.4 Å²	77.4	42%	0.417	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-14.6	174.5	52.1	0	0	0	0	114.8	K29	K29-T31 WeakPolarHBondContact CB-OG1 3.29Å; K29-T31 PolarHBondContact O-N 2.65Å
32	D	77.7	Confident	69.6	Low	60 Å²	60	77.3 Å²	77.3	32%	0.321	36%	0.358	S	S	.	.	S	Bend	trans	-78.6	138.3	-171.4	-62.3	-28.4	0	0	0	111.7	K29 R34 V35	K29-D32 PolarHBondContact N-OD2 3.2Å; K29-D32 WeakPolarHBondContact O-CB 3.31Å; K29-D32 PolarHBondContact O-N 2.88Å; D32-R34 PolarHBondContact O-N 3.33Å; D32-V35 HydrophobicContact CB-CG2 4.44Å; D32-V35 WeakPolarHBondContact O-CB 3.25Å; D32-V35 PolarHBondContact O-N 3.12Å
33	E	74.4	Confident	71.1	Confident	163 Å²	163	74.6 Å²	74.6	76%	0.762	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-15.4	-174.4	-60	-178.5	156	0	0	114.6	V35	E33-V35 VanDerWaalsContact C-N 3.35Å
34	R	78.4	Confident	72.6	Confident	195 Å²	195	67.2 Å²	67.2	74%	0.736	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-20.1	174.7	-61.1	-178.3	-179.1	-172	-1	113.2	D32 K61 I62	D32-R34 PolarHBondContact O-N 3.33Å; R34-K61 CarbonylContact O-C 3.55Å; R34-K61 WeakPolarHBondContact O-CA 3.46Å; R34-K61 WeakPolarHBondContact O-CB 3.31Å; R34-I62 HydrophobicContact CB-CD1 4.26Å; R34-I62 PolarHBondContact O-N 2.86Å
35	V	80.9	Confident	74.1	Confident	2 Å²	2	63.1 Å²	63.1	1%	0.012	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-81.8	140.3	178.2	-176.2	0	0	0	0	109.4	V28 K29 D32 E33 K37 L40 L67	V28-V35 HydrophobicContact CG1-CG2 3.63Å; K29-V35 WeakPolarHBondContact O-CG2 3.44Å; D32-V35 HydrophobicContact CB-CG2 4.44Å; D32-V35 WeakPolarHBondContact O-CB 3.25Å; D32-V35 PolarHBondContact O-N 3.12Å; E33-V35 VanDerWaalsContact C-N 3.35Å; V35-K37 PolarHBondContact O-N 3.33Å; V35-K37 VanDerWaalsContact O-N 3.09Å; V35-L40 HydrophobicContact CG1-CD1 4.09Å; V35-L40 HydrophobicContact CG1-CD2 4.06Å; V35-L40 HydrophobicContact CG1-CG 4.14Å; V35-L67 HydrophobicContact CG1-CD1 3.94Å; V35-L67 HydrophobicContact CG2-CD1 3.71Å
36	C	81	Confident	75.6	Confident	3 Å²	3	59.5 Å²	59.5	2%	0.02	27%	0.272	C	S	.	.			trans	-79.6	96.9	-177.5	-161.6	0	0	0	0	111.5	S38 H39 L40 C44 K61 I62 H63	C36-S38 PolarHBondContact O-N 3.46Å; C36-S38 VanDerWaalsContact O-N 3.15Å; C36-S38 PolarHBondContact SG-OG 2.89Å; C36-S38 VanDerWaalsContact SG-OG 3.34Å; C36-H39 HydrophobicContact CB-CB 3.83Å; C36-H39 WeakPolarHBondContact O-CA 3.35Å; C36-H39 WeakPolarHBondContact O-CB 3.2Å; C36-H39 PolarHBondContact O-N 3.27Å; C36-L40 PolarHBondContact O-N 3.24Å; C36-L40 VanDerWaalsContact O-N 3.09Å; C36-C44 VanDerWaalsContact SG-SG 3.67Å; C36-K61 HydrophobicContact CB-CB 3.58Å; C36-I62 PolarHBondContact N-O 2.87Å; C36-H63 WeakPolarHBondContact CB-CD2 3.44Å; C36-H63 WeakPolarHBondContact CB-NE2 3.48Å; C36-H63 PolarHBondContact SG-NE2 2.73Å; C36-H63 VanDerWaalsContact SG-NE2 3.39Å
37	K	81.7	Confident	77	Confident	38 Å²	38	58.3 Å²	58.3	17%	0.165	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-32.3	-179.4	-66.8	174.2	179.9	170.7	0	113.9	V35 F82 D85	V35-K37 PolarHBondContact O-N 3.33Å; V35-K37 VanDerWaalsContact O-N 3.09Å; K37-F82 HydrophobicContact CB-CB 4.34Å; K37-F82 HydrophobicContact CD-CB 4.41Å; K37-F82 HydrophobicContact CD-CD1 3.84Å; K37-F82 HydrophobicContact CD-CE1 4.47Å; K37-F82 HydrophobicContact CD-CG 4.29Å; K37-F82 HydrophobicContact CG-CB 4.4Å; K37-F82 HydrophobicContact CG-CD1 4.27Å; K37-F82 HydrophobicContact CG-CG 4.31Å; K37-D85 HydrophobicContact CD-CB 3.96Å; K37-D85 WeakPolarHBondContact CD-OD2 3.17Å; K37-D85 WeakPolarHBondContact CE-OD2 3.43Å; K37-D85 IonicContact NZ-OD2 2.76Å; K37-D85 PolarHBondContact NZ-OD2 3.18Å
38	S	80.7	Confident	78.4	Confident	6 Å²	6	50 Å²	50	4%	0.042	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-27.4	173.8	51.1	0	0	0	0	113.5	C36 L41 N42 C43 C44	C36-S38 PolarHBondContact O-N 3.46Å; C36-S38 VanDerWaalsContact O-N 3.15Å; C36-S38 PolarHBondContact SG-OG 2.89Å; C36-S38 VanDerWaalsContact SG-OG 3.34Å; S38-L41 CarbonylContact O-C 3.58Å; S38-L41 PolarHBondContact O-N 3.47Å; S38-N42 PolarHBondContact O-N 2.88Å; S38-C43 CarbonylContact O-C 3.59Å; S38-C43 WeakPolarHBondContact O-CA 3.49Å; S38-C43 PolarHBondContact O-N 2.93Å; S38-C44 PolarHBondContact O-N 3.39Å
39	H	83.1	Confident	79.3	Confident	6 Å²	6	47.7 Å²	47.7	3%	0.028	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-37.5	171.8	177.2	86.3	0	0	0	111.5	C36 L41 N42 C44 D47 H63 L65	C36-H39 HydrophobicContact CB-CB 3.83Å; C36-H39 WeakPolarHBondContact O-CA 3.35Å; C36-H39 WeakPolarHBondContact O-CB 3.2Å; C36-H39 PolarHBondContact O-N 3.27Å; H39-L41 PolarHBondContact O-N 3.46Å; H39-L41 VanDerWaalsContact O-N 3.09Å; H39-N42 PolarHBondContact O-N 3.05Å; H39-C44 HydrophobicContact CB-CB 3.99Å; H39-D47 IonicContact CE1-OD2 3.16Å; H39-D47 PolarHBondContact CE1-OD2 3.11Å; H39-D47 IonicContact ND1-OD2 2.72Å; H39-D47 PolarHBondContact ND1-OD2 3.34Å; H39-H63 AromaticContact CG-CD2 3.96Å; H39-H63 AromaticContact CG-CG 3.75Å; H39-H63 AromaticContact CG-ND1 3.93Å; H39-H63 AromaticContact ND1-CE1 3.95Å; H39-H63 AromaticContact ND1-CG 3.65Å; H39-H63 AromaticContact ND1-ND1 3.45Å; H39-H63 PolarHBondContact ND1-ND1 3.1Å; H39-L65 WeakPolarHBondContact NE2-CD2 3.47Å
40	L	81.1	Confident	80	Confident	3 Å²	3	44.7 Å²	44.7	2%	0.016	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-24.3	170.6	-60.6	179.5	0	0	0	113	F30 V35 C36 L67 R68 Y71	F30-L40 HydrophobicContact CB-CD1 4.41Å; V35-L40 HydrophobicContact CG1-CD1 4.09Å; V35-L40 HydrophobicContact CG1-CD2 4.06Å; V35-L40 HydrophobicContact CG1-CG 4.14Å; C36-L40 PolarHBondContact O-N 3.24Å; C36-L40 VanDerWaalsContact O-N 3.09Å; L40-L67 HydrophobicContact CD2-CB 4.13Å; L40-R68 HydrophobicContact CD2-CB 4.25Å; L40-Y71 HydrophobicContact CB-CD1 3.89Å; L40-Y71 HydrophobicContact CB-CE1 4.44Å; L40-Y71 HydrophobicContact CB-CG 4.18Å; L40-Y71 HydrophobicContact CD1-CG 4.37Å; L40-Y71 WeakPolarHBondContact O-CD1 3.44Å
41	L	78.2	Confident	80.4	Confident	30 Å²	30	45.5 Å²	45.5	16%	0.157	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101	5.7	176.6	-71.1	166	0	0	0	113.8	S38 H39 C43 Y71 E83 A86 L228	S38-L41 CarbonylContact O-C 3.58Å; S38-L41 PolarHBondContact O-N 3.47Å; H39-L41 PolarHBondContact O-N 3.46Å; H39-L41 VanDerWaalsContact O-N 3.09Å; L41-C43 VanDerWaalsContact C-N 3.27Å; L41-C43 PolarHBondContact O-N 3.37Å; L41-C43 PolarHBondContact O-SG 3.46Å; L41-Y71 HydrophobicContact CD2-CE1 3.85Å; L41-Y71 HydrophobicContact CG-CE1 4.31Å; L41-E83 HydrophobicContact CD1-CG 4.42Å; L41-A86 HydrophobicContact CD1-CB 3.59Å; L41-L228 HydrophobicContact CD1-CD2 4.13Å; L41-L228 HydrophobicContact CD2-CD2 4.35Å
42	N	77.7	Confident	80.9	Confident	70 Å²	70	44 Å²	44	37%	0.374	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.4	29.7	-176.5	-53.8	-67.5	0	0	0	114.9	S38 H39 R68	S38-N42 PolarHBondContact O-N 2.88Å; H39-N42 PolarHBondContact O-N 3.05Å; N42-R68 PolarHBondContact ND2-NE 3.43Å; N42-R68 VanDerWaalsContact ND2-NE 3.16Å; N42-R68 WeakPolarHBondContact OD1-CD 3.4Å; N42-R68 PolarHBondContact OD1-NE 2.98Å; N42-R68 PolarHBondContact OD1-NH1 2.95Å
43	C	79.4	Confident	80.7	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.007	26%	0.261	C	S	.	.			trans	-121.2	9.2	-173.5	-59.3	0	0	0	0	113.3	S38 L41 P45 L90 K224	S38-C43 CarbonylContact O-C 3.59Å; S38-C43 WeakPolarHBondContact O-CA 3.49Å; S38-C43 PolarHBondContact O-N 2.93Å; L41-C43 VanDerWaalsContact C-N 3.27Å; L41-C43 PolarHBondContact O-N 3.37Å; L41-C43 PolarHBondContact O-SG 3.46Å; C43-P45 VanDerWaalsContact O-CD 3.24Å; C43-P45 WeakPolarHBondContact O-CD 3.46Å; C43-L90 HydrophobicContact CB-CD1 4.05Å; C43-L90 HydrophobicContact CB-CD2 4.37Å; C43-K224 VanDerWaalsContact SG-CB 3.55Å
44	C	83.9	Confident	80.6	Confident	2 Å²	2	45.7 Å²	45.7	1%	0.014	23%	0.232	C	C	.	.			trans	-70.7	118.9	-174.5	-168.1	0	0	0	0	111.5	C36 S38 H39 H46 D47 I48 H63	C36-C44 VanDerWaalsContact SG-SG 3.67Å; S38-C44 PolarHBondContact O-N 3.39Å; H39-C44 HydrophobicContact CB-CB 3.99Å; C44-H46 VanDerWaalsContact C-N 3.27Å; C44-H46 PolarHBondContact O-N 2.93Å; C44-D47 HydrophobicContact CB-CB 4.16Å; C44-D47 WeakPolarHBondContact O-CB 3.32Å; C44-D47 PolarHBondContact O-N 3.03Å; C44-I48 PolarHBondContact O-N 3.29Å; C44-H63 PolarHBondContact SG-CE1 3.08Å; C44-H63 PolarHBondContact SG-NE2 3.18Å
45	P	83.2	Confident	80.6	Confident	12 Å²	12	40 Å²	40	8%	0.078	22%	0.216	C	C	.	.	H	α-helix	trans	-61	-33.7	-176.7	-25.8	36.4	0	0	0	113.6	C43 D47 L49 L90 F93 I221	C43-P45 VanDerWaalsContact O-CD 3.24Å; C43-P45 WeakPolarHBondContact O-CD 3.46Å; P45-D47 PolarHBondContact O-N 2.87Å; P45-L49 VanDerWaalsContact O-CB 3.25Å; P45-L49 WeakPolarHBondContact O-CB 3.25Å; P45-L49 WeakPolarHBondContact O-CG 3.47Å; P45-L49 PolarHBondContact O-N 3.08Å; P45-L90 HydrophobicContact CG-CD2 4.34Å; P45-F93 HydrophobicContact CB-CD1 3.83Å; P45-F93 HydrophobicContact CB-CD2 4.32Å; P45-F93 HydrophobicContact CB-CE1 3.78Å; P45-F93 HydrophobicContact CB-CE2 4.3Å; P45-F93 HydrophobicContact CB-CG 4.11Å; P45-F93 HydrophobicContact CB-CZ 4.04Å; P45-F93 HydrophobicContact CG-CB 4.38Å; P45-F93 HydrophobicContact CG-CD1 3.76Å; P45-F93 HydrophobicContact CG-CE1 4.22Å; P45-F93 HydrophobicContact CG-CG 3.95Å; P45-I221 HydrophobicContact CB-CD1 4.22Å
46	H	82.9	Confident	80.4	Confident	51 Å²	51	43.8 Å²	43.8	24%	0.236	24%	0.236	C	C	.	.	H	α-helix	trans	-58.8	-31	175.8	-67.3	-97.3	0	0	0	113.5	C44 G57 C59	C44-H46 VanDerWaalsContact C-N 3.27Å; C44-H46 PolarHBondContact O-N 2.93Å; H46-G57 PolarHBondContact ND1-O 3.47Å; H46-C59 HydrophobicContact CB-CB 3.99Å
47	D	84.1	Confident	80.4	Confident	72 Å²	72	45.8 Å²	45.8	39%	0.385	26%	0.257	S	S	.	.	H	α-helix	trans	-88.5	-51.2	-173.9	-153.7	-7	0	0	0	109.9	H39 C44 P45 L49 S50 H63	H39-D47 IonicContact CE1-OD2 3.16Å; H39-D47 PolarHBondContact CE1-OD2 3.11Å; H39-D47 IonicContact ND1-OD2 2.72Å; H39-D47 PolarHBondContact ND1-OD2 3.34Å; C44-D47 HydrophobicContact CB-CB 4.16Å; C44-D47 WeakPolarHBondContact O-CB 3.32Å; C44-D47 PolarHBondContact O-N 3.03Å; P45-D47 PolarHBondContact O-N 2.87Å; D47-L49 VanDerWaalsContact C-N 3.31Å; D47-L49 PolarHBondContact O-N 3.07Å; D47-S50 WeakPolarHBondContact O-CB 3.46Å; D47-S50 PolarHBondContact O-N 3.07Å; D47-S50 PolarHBondContact O-OG 2.81Å; D47-H63 IonicContact OD2-ND1 3.42Å
48	I	84.1	Confident	80.1	Confident	39 Å²	39	53.1 Å²	53.1	20%	0.2	29%	0.291	C	S	.	.	H	α-helix	trans	-61.2	-37.8	179.2	-64.8	170.8	0	0	0	111.9	C44 G217 I221	C44-I48 PolarHBondContact O-N 3.29Å; I48-G217 VanDerWaalsContact CG2-CA 3.43Å; I48-I221 HydrophobicContact CB-CD1 4.29Å; I48-I221 HydrophobicContact CD1-CD1 4.33Å; I48-I221 HydrophobicContact CD1-CG1 3.77Å; I48-I221 HydrophobicContact CG2-CD1 4.02Å; I48-I221 HydrophobicContact CG2-CG1 4.25Å
49	L	82.8	Confident	80	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	11.1	-179.1	-58	174.7	0	0	0	113.3	P45 D47 T52 L56 F93 L214 F218 I221	P45-L49 VanDerWaalsContact O-CB 3.25Å; P45-L49 WeakPolarHBondContact O-CB 3.25Å; P45-L49 WeakPolarHBondContact O-CG 3.47Å; P45-L49 PolarHBondContact O-N 3.08Å; D47-L49 VanDerWaalsContact C-N 3.31Å; D47-L49 PolarHBondContact O-N 3.07Å; L49-T52 WeakPolarHBondContact O-CB 3.45Å; L49-T52 VanDerWaalsContact O-CG2 3.25Å; L49-T52 WeakPolarHBondContact O-CG2 3.43Å; L49-T52 PolarHBondContact O-OG1 3.46Å; L49-L56 HydrophobicContact CD1-CD1 4.33Å; L49-F93 HydrophobicContact CD1-CE1 3.9Å; L49-F93 HydrophobicContact CD1-CE2 4.5Å; L49-F93 HydrophobicContact CD1-CZ 3.45Å; L49-F93 VanDerWaalsContact CD1-CZ 3.45Å; L49-L214 HydrophobicContact CD2-CD2 4.42Å; L49-F218 HydrophobicContact CD1-CE1 4.2Å; L49-F218 HydrophobicContact CD1-CZ 4.03Å; L49-F218 HydrophobicContact CD2-CD2 4.4Å; L49-F218 HydrophobicContact CD2-CE2 4.23Å; L49-F218 HydrophobicContact CD2-CZ 4.4Å; L49-I221 HydrophobicContact CD1-CD1 4.33Å; L49-I221 HydrophobicContact CD2-CD1 4.5Å; L49-I221 HydrophobicContact CG-CD1 4.24Å
50	S	82.8	Confident	79.8	Confident	66 Å²	66	60.6 Å²	60.6	46%	0.462	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	133.3	-178.9	60.9	0	0	0	0	113	D47	D47-S50 WeakPolarHBondContact O-CB 3.46Å; D47-S50 PolarHBondContact O-N 3.07Å; D47-S50 PolarHBondContact O-OG 2.81Å
51	G	78.3	Confident	79.8	Confident	68 Å²	68	63.3 Å²	63.3	70%	0.701	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	76	35	-178.9	0	0	0	0	0	113.9	D55	G51-D55 WeakPolarHBondContact CA-OD2 3.37Å; G51-D55 PolarHBondContact N-OD2 2.91Å
52	T	82.1	Confident	80	Confident	36 Å²	36	64.7 Å²	64.7	22%	0.221	36%	0.357	C	S	.	.	S	Bend	trans	-121.3	-163.7	-180	78.2	0	0	0	0	112.4	L49 M54 D55 K213 L214	L49-T52 WeakPolarHBondContact O-CB 3.45Å; L49-T52 VanDerWaalsContact O-CG2 3.25Å; L49-T52 WeakPolarHBondContact O-CG2 3.43Å; L49-T52 PolarHBondContact O-OG1 3.46Å; T52-M54 PolarHBondContact OG1-N 3.19Å; T52-D55 WeakPolarHBondContact CA-OD1 3.47Å; T52-D55 WeakPolarHBondContact CB-OD1 3.44Å; T52-D55 PolarHBondContact N-OD1 3.01Å; T52-D55 PolarHBondContact N-OD2 3.42Å; T52-D55 PolarHBondContact OG1-OD1 3.24Å; T52-K213 HydrophobicContact CG2-CB 4.33Å; T52-L214 HydrophobicContact CG2-CD2 4.04Å; T52-L214 HydrophobicContact CG2-CG 4.07Å; T52-L214 WeakPolarHBondContact OG1-CD2 3.25Å
53	R	72.8	Confident	80	Confident	231 Å²	231	63.9 Å²	63.9	87%	0.872	35%	0.351	S	S	*	.	S	Bend	trans	-96.6	3.2	175.6	-158.1	176.9	178.3	-179.1	0.6	112.8	L214	R53-L214 HydrophobicContact CB-CD1 4.34Å
54	M	73.4	Confident	80	Confident	29 Å²	29	67.9 Å²	67.9	14%	0.143	37%	0.372	C	S	.	.	S	Bend	trans	-124.4	19.7	-175.3	-72.7	-66	-65.3	0	0	112.3	T52 L56 R100 L214 F218	T52-M54 PolarHBondContact OG1-N 3.19Å; M54-L56 WeakPolarHBondContact O-CD1 3.29Å; M54-L56 PolarHBondContact O-N 2.93Å; M54-R100 PolarHBondContact SD-NH2 3.38Å; M54-R100 VanDerWaalsContact SD-NH2 3.36Å; M54-L214 HydrophobicContact CB-CD2 3.86Å; M54-L214 HydrophobicContact CG-CD2 3.88Å; M54-F218 HydrophobicContact CE-CZ 4.47Å
55	D	78.6	Confident	79.7	Confident	74 Å²	74	70.9 Å²	70.9	40%	0.396	39%	0.388	S	S	.	.			trans	-64.1	123.9	-172.7	-67.7	32.3	0	0	0	111.8	G51 T52 G57	G51-D55 WeakPolarHBondContact CA-OD2 3.37Å; G51-D55 PolarHBondContact N-OD2 2.91Å; T52-D55 WeakPolarHBondContact CA-OD1 3.47Å; T52-D55 WeakPolarHBondContact CB-OD1 3.44Å; T52-D55 PolarHBondContact N-OD1 3.01Å; T52-D55 PolarHBondContact N-OD2 3.42Å; T52-D55 PolarHBondContact OG1-OD1 3.24Å; D55-G57 PolarHBondContact O-N 3.1Å
56	L	77.1	Confident	79.5	Confident	83 Å²	83	70.9 Å²	70.9	44%	0.435	39%	0.389	S	S	.	.			trans	-86.3	9.8	171.8	-57.7	96.8	0	0	0	112.1	L49 M54 F93	L49-L56 HydrophobicContact CD1-CD1 4.33Å; M54-L56 WeakPolarHBondContact O-CD1 3.29Å; M54-L56 PolarHBondContact O-N 2.93Å; L56-F93 HydrophobicContact CD1-CE2 3.79Å; L56-F93 HydrophobicContact CD1-CZ 4.21Å; L56-F93 HydrophobicContact CD2-CD2 4.33Å; L56-F93 HydrophobicContact CD2-CE2 4.02Å
57	G	80.3	Confident	79.2	Confident	45 Å²	45	68.7 Å²	68.7	46%	0.464	38%	0.379	S	S	.	.			trans	70	-177.3	-171.4	0	0	0	0	0	113.7	H46 D55	H46-G57 PolarHBondContact ND1-O 3.47Å; D55-G57 PolarHBondContact O-N 3.1Å
58	E	74.8	Confident	79	Confident	191 Å²	191	68.8 Å²	68.8	89%	0.893	37%	0.374	S	S	*	.	S	Bend	trans	-55.8	142.7	173	-62.9	-179.2	176.5	0	0	110.8
59	C	79.1	Confident	78.6	Confident	29 Å²	29	68 Å²	68	20%	0.196	37%	0.373	C	S	.	.			trans	-72.4	142.2	-176.3	-162.3	0	0	0	0	111.5	H46 K61 H63	H46-C59 HydrophobicContact CB-CB 3.99Å; C59-K61 PolarHBondContact O-N 2.8Å; C59-K61 VanDerWaalsContact O-N 3.1Å; C59-H63 WeakPolarHBondContact CB-NE2 3.18Å
60	T	79.3	Confident	78.4	Confident	140 Å²	140	69.3 Å²	69.3	86%	0.859	38%	0.38	S	S	*	.	S	Bend	trans	-69.2	-3.2	174.7	56.2	0	0	0	0	113.9
61	K	81	Confident	78.2	Confident	61 Å²	61	66.4 Å²	66.4	27%	0.265	36%	0.359	S	S	.	.	S	Bend	trans	-119.2	148	178.8	-64.1	-169.9	-176.6	-167.6	0	110.2	R34 C36 C59 H63	R34-K61 CarbonylContact O-C 3.55Å; R34-K61 WeakPolarHBondContact O-CA 3.46Å; R34-K61 WeakPolarHBondContact O-CB 3.31Å; C36-K61 HydrophobicContact CB-CB 3.58Å; C59-K61 PolarHBondContact O-N 2.8Å; C59-K61 VanDerWaalsContact O-N 3.1Å; K61-H63 PolarHBondContact O-CD2 3.23Å; K61-H63 PolarHBondContact O-N 2.93Å
62	I	82.2	Confident	78.3	Confident	58 Å²	58	66.9 Å²	66.9	30%	0.297	34%	0.343	S	S	.	.	B	Isolated β-bridge	trans	-65.2	129.8	-173.5	-57.5	172.4	0	0	0	110.6	V28 R34 C36 D64	V28-I62 HydrophobicContact CG1-CD1 4.3Å; V28-I62 HydrophobicContact CG2-CD1 4.5Å; R34-I62 HydrophobicContact CB-CD1 4.26Å; R34-I62 PolarHBondContact O-N 2.86Å; C36-I62 PolarHBondContact N-O 2.87Å; I62-D64 HydrophobicContact CG2-CB 4.24Å; I62-D64 WeakPolarHBondContact CG2-OD2 3.34Å
63	H	78.3	Confident	78.1	Confident	54 Å²	54	70 Å²	70	25%	0.25	36%	0.357	C	S	.	.			trans	-111.6	60.5	179.4	-80.3	-154.2	0	0	0	110.7	C36 H39 C44 D47 C59 K61	C36-H63 WeakPolarHBondContact CB-CD2 3.44Å; C36-H63 WeakPolarHBondContact CB-NE2 3.48Å; C36-H63 PolarHBondContact SG-NE2 2.73Å; C36-H63 VanDerWaalsContact SG-NE2 3.39Å; H39-H63 AromaticContact CG-CD2 3.96Å; H39-H63 AromaticContact CG-CG 3.75Å; H39-H63 AromaticContact CG-ND1 3.93Å; H39-H63 AromaticContact ND1-CE1 3.95Å; H39-H63 AromaticContact ND1-CG 3.65Å; H39-H63 AromaticContact ND1-ND1 3.45Å; H39-H63 PolarHBondContact ND1-ND1 3.1Å; C44-H63 PolarHBondContact SG-CE1 3.08Å; C44-H63 PolarHBondContact SG-NE2 3.18Å; D47-H63 IonicContact OD2-ND1 3.42Å; C59-H63 WeakPolarHBondContact CB-NE2 3.18Å; K61-H63 PolarHBondContact O-CD2 3.23Å; K61-H63 PolarHBondContact O-N 2.93Å
64	D	79.2	Confident	78.3	Confident	84 Å²	84	59.7 Å²	59.7	45%	0.449	32%	0.321	S	S	.	.			trans	-88.6	112.3	175.8	-75.4	-40.2	0	0	0	110.9	I62 A66 L67 R68	I62-D64 HydrophobicContact CG2-CB 4.24Å; I62-D64 WeakPolarHBondContact CG2-OD2 3.34Å; D64-A66 PolarHBondContact O-N 3.11Å; D64-L67 HydrophobicContact CB-CB 4.4Å; D64-L67 HydrophobicContact CB-CD1 3.97Å; D64-L67 HydrophobicContact CB-CG 3.93Å; D64-L67 WeakPolarHBondContact O-CB 3.3Å; D64-L67 PolarHBondContact O-N 2.81Å; D64-R68 PolarHBondContact O-N 2.87Å
65	L	78.3	Confident	78.2	Confident	65 Å²	65	60.5 Å²	60.5	34%	0.34	33%	0.33	S	S	.	.	H	α-helix	trans	-61.6	-25.6	179.3	-65.8	168	0	0	0	113	Q13 H39 R68 A69	Q13-L65 HydrophobicContact CG-CB 3.91Å; Q13-L65 HydrophobicContact CG-CD1 3.66Å; Q13-L65 HydrophobicContact CG-CG 4.38Å; Q13-L65 VanDerWaalsContact NE2-CD1 3.29Å; H39-L65 WeakPolarHBondContact NE2-CD2 3.47Å; L65-R68 WeakPolarHBondContact O-CB 3.31Å; L65-R68 PolarHBondContact O-N 3.12Å; L65-A69 PolarHBondContact O-N 2.74Å
66	A	78.5	Confident	77.8	Confident	13 Å²	13	64.9 Å²	64.9	11%	0.107	35%	0.345	C	S	.	.	H	α-helix	trans	-64	-40.2	172.5	0	0	0	0	0	112.2	D12 T17 D64 R68 A69 D70	D12-A66 HydrophobicContact CB-CB 4.46Å; T17-A66 HydrophobicContact CG2-CB 3.56Å; D64-A66 PolarHBondContact O-N 3.11Å; A66-R68 PolarHBondContact O-N 2.91Å; A66-A69 PolarHBondContact O-N 3.15Å; A66-D70 VanDerWaalsContact O-CG 3.24Å; A66-D70 PolarHBondContact O-N 3.47Å; A66-D70 VanDerWaalsContact O-N 3.1Å
67	L	77.4	Confident	77.1	Confident	4 Å²	4	67.8 Å²	67.8	2%	0.021	36%	0.356	C	S	.	.	H	α-helix	trans	-67.7	-25.7	175.8	-63.1	178.2	0	0	0	112.2	T17 V28 F30 V35 L40 D64 Y71	T17-L67 HydrophobicContact CG2-CD2 3.85Å; T17-L67 HydrophobicContact CG2-CG 4.44Å; V28-L67 HydrophobicContact CG1-CD1 4.1Å; F30-L67 HydrophobicContact CB-CB 4.48Å; V35-L67 HydrophobicContact CG1-CD1 3.94Å; V35-L67 HydrophobicContact CG2-CD1 3.71Å; L40-L67 HydrophobicContact CD2-CB 4.13Å; D64-L67 HydrophobicContact CB-CB 4.4Å; D64-L67 HydrophobicContact CB-CD1 3.97Å; D64-L67 HydrophobicContact CB-CG 3.93Å; D64-L67 WeakPolarHBondContact O-CB 3.3Å; D64-L67 PolarHBondContact O-N 2.81Å; L67-Y71 WeakPolarHBondContact O-CB 3.44Å; L67-Y71 PolarHBondContact O-N 3.28Å
68	R	77.9	Confident	76	Confident	75 Å²	75	73.7 Å²	73.7	28%	0.283	37%	0.365	S	S	.	.	H	α-helix	trans	-68.4	-44.6	171.1	180	-169.9	144.2	-153.1	-16.2	111.3	L40 N42 D64 L65 A66 D70 Y71 E72	L40-R68 HydrophobicContact CD2-CB 4.25Å; N42-R68 PolarHBondContact ND2-NE 3.43Å; N42-R68 VanDerWaalsContact ND2-NE 3.16Å; N42-R68 WeakPolarHBondContact OD1-CD 3.4Å; N42-R68 PolarHBondContact OD1-NE 2.98Å; N42-R68 PolarHBondContact OD1-NH1 2.95Å; D64-R68 PolarHBondContact O-N 2.87Å; L65-R68 WeakPolarHBondContact O-CB 3.31Å; L65-R68 PolarHBondContact O-N 3.12Å; A66-R68 PolarHBondContact O-N 2.91Å; R68-D70 VanDerWaalsContact C-N 3.31Å; R68-D70 PolarHBondContact O-N 2.76Å; R68-Y71 CarbonylContact O-C 3.58Å; R68-Y71 PolarHBondContact O-N 3.4Å; R68-Y71 VanDerWaalsContact O-N 3.14Å; R68-E72 IonicContact CZ-OE1 2.72Å; R68-E72 IonicContact NE-OE1 2.9Å; R68-E72 PolarHBondContact NE-OE1 2.92Å; R68-E72 IonicContact NH2-OE1 3.95Å; R68-E72 PolarHBondContact NH2-OE1 2.8Å; R68-E72 PolarHBondContact O-N 3.03Å
69	A	77.1	Confident	75.3	Confident	21 Å²	21	69.4 Å²	69.4	17%	0.174	35%	0.348	C	S	.	.	H	α-helix	trans	-59.8	-43.9	175.2	0	0	0	0	0	111.1	L65 A66 Y71 E72 I73	L65-A69 PolarHBondContact O-N 2.74Å; A66-A69 PolarHBondContact O-N 3.15Å; A69-Y71 VanDerWaalsContact C-N 3.29Å; A69-Y71 PolarHBondContact O-N 2.8Å; A69-E72 PolarHBondContact O-N 2.79Å; A69-I73 WeakPolarHBondContact O-CG1 3.49Å; A69-I73 PolarHBondContact O-N 3.19Å; A69-I73 VanDerWaalsContact O-N 3.11Å
70	D	78.8	Confident	74.5	Confident	28 Å²	28	69.8 Å²	69.8	15%	0.15	35%	0.348	C	S	.	.	H	α-helix	trans	-60.5	-38.4	174.7	-56.5	-24.7	0	0	0	111.8	T17 F30 A66 R68 I73 A74	T17-D70 WeakPolarHBondContact CB-OD2 3.44Å; T17-D70 WeakPolarHBondContact CG2-OD2 3.44Å; T17-D70 PolarHBondContact N-OD1 2.89Å; T17-D70 PolarHBondContact OG1-OD2 3.15Å; F30-D70 HydrophobicContact CD1-CB 4.23Å; A66-D70 VanDerWaalsContact O-CG 3.24Å; A66-D70 PolarHBondContact O-N 3.47Å; A66-D70 VanDerWaalsContact O-N 3.1Å; R68-D70 VanDerWaalsContact C-N 3.31Å; R68-D70 PolarHBondContact O-N 2.76Å; D70-I73 PolarHBondContact O-N 3.28Å; D70-A74 WeakPolarHBondContact O-CB 3.34Å; D70-A74 PolarHBondContact O-N 3.5Å
71	Y	78.6	Confident	73.8	Confident	6 Å²	6	67 Å²	67	2%	0.024	32%	0.324	C	S	.	.	H	α-helix	trans	-69.5	-39.4	174.4	176.7	-107.9	0	0	0	113.3	F30 L40 L41 L67 R68 A69 I73 A74 S75 L80 F82	F30-Y71 HydrophobicContact CD2-CD2 4.46Å; L40-Y71 HydrophobicContact CB-CD1 3.89Å; L40-Y71 HydrophobicContact CB-CE1 4.44Å; L40-Y71 HydrophobicContact CB-CG 4.18Å; L40-Y71 HydrophobicContact CD1-CG 4.37Å; L40-Y71 WeakPolarHBondContact O-CD1 3.44Å; L41-Y71 HydrophobicContact CD2-CE1 3.85Å; L41-Y71 HydrophobicContact CG-CE1 4.31Å; L67-Y71 WeakPolarHBondContact O-CB 3.44Å; L67-Y71 PolarHBondContact O-N 3.28Å; R68-Y71 CarbonylContact O-C 3.58Å; R68-Y71 PolarHBondContact O-N 3.4Å; R68-Y71 VanDerWaalsContact O-N 3.14Å; A69-Y71 VanDerWaalsContact C-N 3.29Å; A69-Y71 PolarHBondContact O-N 2.8Å; Y71-I73 PolarHBondContact O-N 3.34Å; Y71-A74 PolarHBondContact O-N 2.83Å; Y71-S75 WeakPolarHBondContact O-CB 3.44Å; Y71-S75 PolarHBondContact O-N 3.4Å; Y71-L80 HydrophobicContact CD2-CD1 4.09Å; Y71-L80 HydrophobicContact CE2-CB 4.16Å; Y71-L80 HydrophobicContact CE2-CD1 3.9Å; Y71-F82 HydrophobicContact CD2-CD2 4.16Å; Y71-F82 HydrophobicContact CD2-CE2 4.29Å; Y71-F82 AromaticContact CE2-CD2 3.64Å; Y71-F82 HydrophobicContact CE2-CD2 3.64Å; Y71-F82 HydrophobicContact CE2-CE2 4.11Å
72	E	79.5	Confident	73.4	Confident	77 Å²	77	65.2 Å²	65.2	36%	0.36	32%	0.316	S	S	.	.	H	α-helix	trans	-67.3	-19.2	175.4	-75.4	-174.4	-156.6	0	0	113.1	R68 A69 K76	R68-E72 IonicContact CZ-OE1 2.72Å; R68-E72 IonicContact NE-OE1 2.9Å; R68-E72 PolarHBondContact NE-OE1 2.92Å; R68-E72 IonicContact NH2-OE1 3.95Å; R68-E72 PolarHBondContact NH2-OE1 2.8Å; R68-E72 PolarHBondContact O-N 3.03Å; A69-E72 PolarHBondContact O-N 2.79Å; E72-K76 WeakPolarHBondContact O-CD 3.4Å; E72-K76 WeakPolarHBondContact O-CE 3.47Å; E72-K76 PolarHBondContact O-NZ 3.05Å
73	I	78.8	Confident	73.1	Confident	103 Å²	103	63.2 Å²	63.2	53%	0.528	31%	0.306	S	S	.	.	H	α-helix	trans	-80.9	-55.6	166.6	-63.6	164.6	0	0	0	109.4	A69 D70 Y71 S75 K76	A69-I73 WeakPolarHBondContact O-CG1 3.49Å; A69-I73 PolarHBondContact O-N 3.19Å; A69-I73 VanDerWaalsContact O-N 3.11Å; D70-I73 PolarHBondContact O-N 3.28Å; Y71-I73 PolarHBondContact O-N 3.34Å; I73-S75 VanDerWaalsContact C-N 3.3Å; I73-S75 PolarHBondContact O-N 3.41Å; I73-K76 WeakPolarHBondContact O-CB 3.39Å; I73-K76 PolarHBondContact O-N 2.81Å; I73-K76 VanDerWaalsContact O-N 3.09Å
74	A	77.1	Confident	73.1	Confident	14 Å²	14	63.6 Å²	63.6	12%	0.116	31%	0.309	C	S	.	.	H	α-helix	trans	-61.4	-32.5	-175.9	0	0	0	0	0	114.1	F30 D70 Y71 K76 E77 R78 L80	F30-A74 HydrophobicContact CE1-CB 4.19Å; F30-A74 HydrophobicContact CE2-CB 4.11Å; F30-A74 HydrophobicContact CZ-CB 3.69Å; D70-A74 WeakPolarHBondContact O-CB 3.34Å; D70-A74 PolarHBondContact O-N 3.5Å; Y71-A74 PolarHBondContact O-N 2.83Å; A74-K76 VanDerWaalsContact C-N 3.25Å; A74-K76 PolarHBondContact O-N 2.87Å; A74-E77 PolarHBondContact O-N 2.97Å; A74-E77 VanDerWaalsContact O-N 3.09Å; A74-R78 PolarHBondContact O-N 3.04Å; A74-L80 HydrophobicContact CB-CD1 4.2Å
75	S	70.8	Confident	73.3	Confident	45 Å²	45	62.3 Å²	62.3	32%	0.315	30%	0.303	S	S	.	.	H	α-helix	trans	-67.2	-23.1	177.9	-172.2	0	0	0	0	113	Y71 I73	Y71-S75 WeakPolarHBondContact O-CB 3.44Å; Y71-S75 PolarHBondContact O-N 3.4Å; I73-S75 VanDerWaalsContact C-N 3.3Å; I73-S75 PolarHBondContact O-N 3.41Å
76	K	70.6	Confident	73.5	Confident	166 Å²	166	59.2 Å²	59.2	72%	0.722	29%	0.286	S	S	*	.	H	α-helix	trans	-76.5	-26.4	171.7	-64.5	163.4	-176.2	137.8	0	112.2	E72 I73 A74	E72-K76 WeakPolarHBondContact O-CD 3.4Å; E72-K76 WeakPolarHBondContact O-CE 3.47Å; E72-K76 PolarHBondContact O-NZ 3.05Å; I73-K76 WeakPolarHBondContact O-CB 3.39Å; I73-K76 PolarHBondContact O-N 2.81Å; I73-K76 VanDerWaalsContact O-N 3.09Å; A74-K76 VanDerWaalsContact C-N 3.25Å; A74-K76 PolarHBondContact O-N 2.87Å
77	E	61.3	Low	73.9	Confident	144 Å²	144	59.1 Å²	59.1	67%	0.673	28%	0.284	S	S	*	.	H	α-helix	trans	-91.1	-31.4	177.5	-62.9	-166	165.9	0	0	113.6	A74	A74-E77 PolarHBondContact O-N 2.97Å; A74-E77 VanDerWaalsContact O-N 3.09Å
78	R	57.8	Low	74.4	Confident	169 Å²	169	63.4 Å²	63.4	64%	0.638	31%	0.307	S	S	*	.			trans	-146.4	128.7	-167	-55.9	-176.8	-165.1	-165	2.2	113	A74 L80	A74-R78 PolarHBondContact O-N 3.04Å; R78-L80 VanDerWaalsContact C-N 3.34Å; R78-L80 HydrophobicContact CB-CG 4.39Å; R78-L80 PolarHBondContact O-N 2.61Å
79	D	60.7	Low	74.8	Confident	102 Å²	102	64.3 Å²	64.3	55%	0.545	32%	0.315	S	S	.	.			trans	-66	88.7	166.2	-87.2	-50.5	0	0	0	111.5	F81 K235	D79-F81 HydrophobicContact CB-CE2 4.46Å; D79-F81 WeakPolarHBondContact O-CD2 3.35Å; D79-F81 WeakPolarHBondContact O-CE2 2.76Å; D79-K235 WeakPolarHBondContact OD1-CE 3.43Å; D79-K235 IonicContact OD1-NZ 3.63Å; D79-K235 PolarHBondContact OD1-NZ 3.5Å
80	L	61.1	Low	75.3	Confident	37 Å²	37	63.4 Å²	63.4	19%	0.194	31%	0.307	C	S	.	.			trans	-87.9	116.7	171.7	-68	159.2	0	0	0	108.7	F30 Y71 A74 R78 F82	F30-L80 HydrophobicContact CD2-CD1 4.45Å; F30-L80 HydrophobicContact CE2-CD1 3.71Å; Y71-L80 HydrophobicContact CD2-CD1 4.09Å; Y71-L80 HydrophobicContact CE2-CB 4.16Å; Y71-L80 HydrophobicContact CE2-CD1 3.9Å; A74-L80 HydrophobicContact CB-CD1 4.2Å; R78-L80 VanDerWaalsContact C-N 3.34Å; R78-L80 HydrophobicContact CB-CG 4.39Å; R78-L80 PolarHBondContact O-N 2.61Å; L80-F82 HydrophobicContact CB-CD2 3.91Å; L80-F82 HydrophobicContact CB-CE2 3.86Å; L80-F82 HydrophobicContact CB-CG 4.46Å; L80-F82 HydrophobicContact CB-CZ 4.36Å; L80-F82 HydrophobicContact CD1-CE2 4.12Å; L80-F82 HydrophobicContact CD2-CE2 4.26Å; L80-F82 HydrophobicContact CD2-CZ 4.19Å; L80-F82 HydrophobicContact CG-CE2 4.3Å; L80-F82 PolarHBondContact O-N 3.23Å
81	F	65.9	Low	75.8	Confident	82 Å²	82	66 Å²	66	36%	0.36	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	21.8	-170.2	-72.2	-92.1	0	0	0	115.3	D79 E83 L84	D79-F81 HydrophobicContact CB-CE2 4.46Å; D79-F81 WeakPolarHBondContact O-CD2 3.35Å; D79-F81 WeakPolarHBondContact O-CE2 2.76Å; F81-E83 PolarHBondContact O-N 2.82Å; F81-E83 VanDerWaalsContact O-N 3.16Å; F81-L84 HydrophobicContact CB-CD1 4.34Å; F81-L84 HydrophobicContact CD1-CD1 4.26Å; F81-L84 PolarHBondContact O-N 2.73Å; F81-L84 VanDerWaalsContact O-N 3.1Å
82	F	72.4	Confident	76.4	Confident	23 Å²	23	69.9 Å²	69.9	10%	0.101	34%	0.343	C	S	.	.	H	α-helix	trans	-64	-17	179.9	-55.6	-35.1	0	0	0	113.8	F30 K37 Y71 L80 L84 D85 A86	F30-F82 HydrophobicContact CD2-CE2 4.27Å; K37-F82 HydrophobicContact CB-CB 4.34Å; K37-F82 HydrophobicContact CD-CB 4.41Å; K37-F82 HydrophobicContact CD-CD1 3.84Å; K37-F82 HydrophobicContact CD-CE1 4.47Å; K37-F82 HydrophobicContact CD-CG 4.29Å; K37-F82 HydrophobicContact CG-CB 4.4Å; K37-F82 HydrophobicContact CG-CD1 4.27Å; K37-F82 HydrophobicContact CG-CG 4.31Å; Y71-F82 HydrophobicContact CD2-CD2 4.16Å; Y71-F82 HydrophobicContact CD2-CE2 4.29Å; Y71-F82 AromaticContact CE2-CD2 3.64Å; Y71-F82 HydrophobicContact CE2-CD2 3.64Å; Y71-F82 HydrophobicContact CE2-CE2 4.11Å; L80-F82 HydrophobicContact CB-CD2 3.91Å; L80-F82 HydrophobicContact CB-CE2 3.86Å; L80-F82 HydrophobicContact CB-CG 4.46Å; L80-F82 HydrophobicContact CB-CZ 4.36Å; L80-F82 HydrophobicContact CD1-CE2 4.12Å; L80-F82 HydrophobicContact CD2-CE2 4.26Å; L80-F82 HydrophobicContact CD2-CZ 4.19Å; L80-F82 HydrophobicContact CG-CE2 4.3Å; L80-F82 PolarHBondContact O-N 3.23Å; F82-L84 PolarHBondContact O-N 3.17Å; F82-D85 PolarHBondContact O-N 3.44Å; F82-A86 WeakPolarHBondContact O-CB 3.37Å; F82-A86 PolarHBondContact O-N 3.34Å
83	E	74.9	Confident	76.8	Confident	15 Å²	15	67.4 Å²	67.4	7%	0.07	33%	0.331	C	S	.	.	H	α-helix	trans	-56.9	-33.6	170.1	-65.5	168.8	-138.5	0	0	112.5	L41 F81 V87 L228 T231 V232 K235	L41-E83 HydrophobicContact CD1-CG 4.42Å; F81-E83 PolarHBondContact O-N 2.82Å; F81-E83 VanDerWaalsContact O-N 3.16Å; E83-V87 VanDerWaalsContact O-CG2 3.3Å; E83-V87 WeakPolarHBondContact O-CG2 3.35Å; E83-V87 PolarHBondContact O-N 3.23Å; E83-L228 HydrophobicContact CB-CD2 4.34Å; E83-L228 HydrophobicContact CG-CD2 4.01Å; E83-T231 VanDerWaalsContact OE2-CB 3.25Å; E83-T231 WeakPolarHBondContact OE2-CB 3.44Å; E83-T231 PolarHBondContact OE2-OG1 3.1Å; E83-V232 HydrophobicContact CB-CG2 3.74Å; E83-K235 WeakPolarHBondContact OE1-CE 3.36Å; E83-K235 IonicContact OE1-NZ 3.08Å; E83-K235 PolarHBondContact OE1-NZ 3.1Å; E83-K235 IonicContact OE2-NZ 3.76Å
84	L	79.5	Confident	77.3	Confident	63 Å²	63	63.5 Å²	63.5	33%	0.33	31%	0.31	S	S	.	.	H	α-helix	trans	-67.1	-56.3	178.2	-64.8	174.9	0	0	0	110.9	F81 F82 A86 V87 D88 V232	F81-L84 HydrophobicContact CB-CD1 4.34Å; F81-L84 HydrophobicContact CD1-CD1 4.26Å; F81-L84 PolarHBondContact O-N 2.73Å; F81-L84 VanDerWaalsContact O-N 3.1Å; F82-L84 PolarHBondContact O-N 3.17Å; L84-A86 PolarHBondContact O-N 3.47Å; L84-A86 VanDerWaalsContact O-N 3.15Å; L84-V87 PolarHBondContact O-N 3.39Å; L84-D88 PolarHBondContact O-N 2.81Å; L84-V232 HydrophobicContact CD2-CB 4.43Å; L84-V232 HydrophobicContact CD2-CG1 3.53Å; L84-V232 HydrophobicContact CD2-CG2 3.96Å
85	D	82.6	Confident	78	Confident	57 Å²	57	65.6 Å²	65.6	31%	0.305	33%	0.328	S	S	.	.	H	α-helix	trans	-56.5	-34	177.9	-54.5	-15	0	0	0	111.6	K37 F82 H89	K37-D85 HydrophobicContact CD-CB 3.96Å; K37-D85 WeakPolarHBondContact CD-OD2 3.17Å; K37-D85 WeakPolarHBondContact CE-OD2 3.43Å; K37-D85 IonicContact NZ-OD2 2.76Å; K37-D85 PolarHBondContact NZ-OD2 3.18Å; F82-D85 PolarHBondContact O-N 3.44Å; D85-H89 WeakPolarHBondContact O-CB 3.45Å; D85-H89 PolarHBondContact O-CD2 2.87Å; D85-H89 PolarHBondContact O-N 2.77Å
86	A	83.2	Confident	78.9	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-71.4	-40.9	175.2	0	0	0	0	0	112.9	L41 F82 L84 L90 L228	L41-A86 HydrophobicContact CD1-CB 3.59Å; F82-A86 WeakPolarHBondContact O-CB 3.37Å; F82-A86 PolarHBondContact O-N 3.34Å; L84-A86 PolarHBondContact O-N 3.47Å; L84-A86 VanDerWaalsContact O-N 3.15Å; A86-L90 WeakPolarHBondContact O-CB 3.4Å; A86-L90 WeakPolarHBondContact O-CD1 3.41Å; A86-L90 WeakPolarHBondContact O-CG 3.48Å; A86-L90 PolarHBondContact O-N 2.83Å; A86-L228 HydrophobicContact CB-CD1 4.31Å
87	V	86.9	Confident	79.6	Confident	11 Å²	11	60.6 Å²	60.6	7%	0.067	31%	0.306	C	S	.	.	H	α-helix	trans	-63.2	-48.3	174.2	168.2	0	0	0	0	110.8	E83 L84 H89 L90 E91 L228 K229 V232	E83-V87 VanDerWaalsContact O-CG2 3.3Å; E83-V87 WeakPolarHBondContact O-CG2 3.35Å; E83-V87 PolarHBondContact O-N 3.23Å; L84-V87 PolarHBondContact O-N 3.39Å; V87-H89 VanDerWaalsContact C-N 3.29Å; V87-H89 PolarHBondContact O-N 3.37Å; V87-L90 PolarHBondContact O-N 3.05Å; V87-E91 HydrophobicContact CG1-CG 4.09Å; V87-E91 WeakPolarHBondContact O-CB 3.2Å; V87-E91 WeakPolarHBondContact O-CG 3.37Å; V87-E91 PolarHBondContact O-N 3.46Å; V87-L228 HydrophobicContact CG2-CB 3.59Å; V87-K229 HydrophobicContact CG1-CG 4.22Å; V87-K229 HydrophobicContact CG2-CG 4.48Å; V87-V232 HydrophobicContact CG2-CG2 4.35Å
88	D	87.7	Confident	81	Confident	93 Å²	93	56.6 Å²	56.6	50%	0.497	29%	0.29	S	S	.	.	H	α-helix	trans	-58.8	-41.3	-180	-67.3	4.1	0	0	0	111.6	L84 T92	L84-D88 PolarHBondContact O-N 2.81Å; D88-T92 WeakPolarHBondContact O-CB 3.36Å; D88-T92 PolarHBondContact O-N 3.31Å; D88-T92 VanDerWaalsContact O-N 3.11Å; D88-T92 PolarHBondContact O-OG1 2.68Å
89	H	86.3	Confident	82.6	Confident	95 Å²	95	56.4 Å²	56.4	44%	0.44	29%	0.289	S	S	.	.	H	α-helix	trans	-63.5	-43.8	173.7	-84.8	-130.3	0	0	0	112.4	D85 V87 F93	D85-H89 WeakPolarHBondContact O-CB 3.45Å; D85-H89 PolarHBondContact O-CD2 2.87Å; D85-H89 PolarHBondContact O-N 2.77Å; V87-H89 VanDerWaalsContact C-N 3.29Å; V87-H89 PolarHBondContact O-N 3.37Å; H89-F93 WeakPolarHBondContact O-CB 3.23Å; H89-F93 PolarHBondContact O-N 2.92Å; H89-F93 VanDerWaalsContact O-N 3.13Å
90	L	86.6	Confident	83.9	Confident	1 Å²	1	58 Å²	58	1%	0.005	29%	0.287	C	S	.	.	H	α-helix	trans	-71.6	-39	-179.2	-72.6	165	0	0	0	112.4	C43 P45 A86 V87 F93 I94 I221 L225 L228	C43-L90 HydrophobicContact CB-CD1 4.05Å; C43-L90 HydrophobicContact CB-CD2 4.37Å; P45-L90 HydrophobicContact CG-CD2 4.34Å; A86-L90 WeakPolarHBondContact O-CB 3.4Å; A86-L90 WeakPolarHBondContact O-CD1 3.41Å; A86-L90 WeakPolarHBondContact O-CG 3.48Å; A86-L90 PolarHBondContact O-N 2.83Å; V87-L90 PolarHBondContact O-N 3.05Å; L90-F93 PolarHBondContact O-N 3.12Å; L90-I94 WeakPolarHBondContact O-CB 3.43Å; L90-I94 WeakPolarHBondContact O-CG1 3.43Å; L90-I94 PolarHBondContact O-N 3.05Å; L90-I221 HydrophobicContact CD2-CG2 4.01Å; L90-L225 HydrophobicContact CB-CB 4.41Å; L90-L225 HydrophobicContact CB-CD1 4.07Å; L90-L225 HydrophobicContact CD1-CB 4.46Å; L90-L228 HydrophobicContact CD1-CD1 3.7Å
91	E	90.1	Very high	85.3	Confident	82 Å²	82	56.6 Å²	56.6	38%	0.383	28%	0.281	S	S	.	.	H	α-helix	trans	-61.9	-46.8	174.3	-78.4	-166	149.4	0	0	111.2	V87 F93 I94 A95 L225 K229	V87-E91 HydrophobicContact CG1-CG 4.09Å; V87-E91 WeakPolarHBondContact O-CB 3.2Å; V87-E91 WeakPolarHBondContact O-CG 3.37Å; V87-E91 PolarHBondContact O-N 3.46Å; E91-F93 VanDerWaalsContact C-N 3.33Å; E91-F93 PolarHBondContact O-N 3.09Å; E91-I94 PolarHBondContact O-N 3.42Å; E91-A95 VanDerWaalsContact O-CB 3.28Å; E91-A95 WeakPolarHBondContact O-CB 3.25Å; E91-A95 PolarHBondContact O-N 2.72Å; E91-L225 HydrophobicContact CG-CD1 3.73Å; E91-K229 WeakPolarHBondContact OE1-CE 3.13Å; E91-K229 IonicContact OE1-NZ 3.18Å; E91-K229 PolarHBondContact OE1-NZ 3.46Å
92	T	90.1	Very high	86.4	Confident	89 Å²	89	57.8 Å²	57.8	55%	0.546	29%	0.287	S	S	.	.	H	α-helix	trans	-58.7	-46.6	176.5	-54.8	0	0	0	0	110.8	D88 A95 D96	D88-T92 WeakPolarHBondContact O-CB 3.36Å; D88-T92 PolarHBondContact O-N 3.31Å; D88-T92 VanDerWaalsContact O-N 3.11Å; D88-T92 PolarHBondContact O-OG1 2.68Å; T92-A95 PolarHBondContact O-N 3.45Å; T92-D96 PolarHBondContact O-N 3.3Å; T92-D96 VanDerWaalsContact O-N 3.09Å
93	F	88.1	Confident	87.3	Confident	25 Å²	25	60.7 Å²	60.7	11%	0.11	30%	0.303	C	S	.	.	H	α-helix	trans	-65.4	-41.9	-179.7	-179.1	-109.4	0	0	0	113.3	P45 L49 L56 H89 L90 E91 C97 F218 I221	P45-F93 HydrophobicContact CB-CD1 3.83Å; P45-F93 HydrophobicContact CB-CD2 4.32Å; P45-F93 HydrophobicContact CB-CE1 3.78Å; P45-F93 HydrophobicContact CB-CE2 4.3Å; P45-F93 HydrophobicContact CB-CG 4.11Å; P45-F93 HydrophobicContact CB-CZ 4.04Å; P45-F93 HydrophobicContact CG-CB 4.38Å; P45-F93 HydrophobicContact CG-CD1 3.76Å; P45-F93 HydrophobicContact CG-CE1 4.22Å; P45-F93 HydrophobicContact CG-CG 3.95Å; L49-F93 HydrophobicContact CD1-CE1 3.9Å; L49-F93 HydrophobicContact CD1-CE2 4.5Å; L49-F93 HydrophobicContact CD1-CZ 3.45Å; L49-F93 VanDerWaalsContact CD1-CZ 3.45Å; L56-F93 HydrophobicContact CD1-CE2 3.79Å; L56-F93 HydrophobicContact CD1-CZ 4.21Å; L56-F93 HydrophobicContact CD2-CD2 4.33Å; L56-F93 HydrophobicContact CD2-CE2 4.02Å; H89-F93 WeakPolarHBondContact O-CB 3.23Å; H89-F93 PolarHBondContact O-N 2.92Å; H89-F93 VanDerWaalsContact O-N 3.13Å; L90-F93 PolarHBondContact O-N 3.12Å; E91-F93 VanDerWaalsContact C-N 3.33Å; E91-F93 PolarHBondContact O-N 3.09Å; F93-C97 VanDerWaalsContact CZ-SG 3.59Å; F93-C97 PolarHBondContact O-N 2.91Å; F93-C97 VanDerWaalsContact O-N 3.14Å; F93-C97 PolarHBondContact O-SG 3.32Å; F93-F218 HydrophobicContact CE1-CD1 4.31Å; F93-F218 AromaticContact CE1-CE1 3.62Å; F93-F218 HydrophobicContact CE1-CE1 3.62Å; F93-F218 AromaticContact CZ-CE1 3.8Å; F93-F218 HydrophobicContact CZ-CE1 3.8Å; F93-F218 HydrophobicContact CZ-CZ 4.27Å; F93-I221 HydrophobicContact CD1-CG2 4.29Å; F93-I221 HydrophobicContact CE1-CD1 4.08Å
94	I	89.5	Confident	87.9	Confident	20 Å²	20	60.4 Å²	60.4	10%	0.103	30%	0.304	C	S	.	.	H	α-helix	trans	-67.4	-41.2	175.7	-76.7	161.4	0	0	0	110.6	L90 E91 D96 C97 D98 I221 R222 L225	L90-I94 WeakPolarHBondContact O-CB 3.43Å; L90-I94 WeakPolarHBondContact O-CG1 3.43Å; L90-I94 PolarHBondContact O-N 3.05Å; E91-I94 PolarHBondContact O-N 3.42Å; I94-D96 VanDerWaalsContact C-N 3.35Å; I94-D96 PolarHBondContact O-N 3.09Å; I94-C97 CarbonylContact O-C 3.59Å; I94-C97 PolarHBondContact O-N 3.37Å; I94-C97 VanDerWaalsContact O-N 3.11Å; I94-D98 WeakPolarHBondContact CG2-OD2 3.36Å; I94-D98 WeakPolarHBondContact O-CB 3.47Å; I94-D98 VanDerWaalsContact O-CG 3.3Å; I94-D98 PolarHBondContact O-N 2.84Å; I94-I221 HydrophobicContact CD1-CG2 3.94Å; I94-I221 HydrophobicContact CG1-CG2 4.09Å; I94-R222 HydrophobicContact CD1-CG 3.9Å; I94-R222 HydrophobicContact CG1-CG 4.38Å; I94-L225 HydrophobicContact CD1-CB 4.22Å; I94-L225 HydrophobicContact CD1-CD1 3.71Å; I94-L225 HydrophobicContact CD1-CG 4.43Å
95	A	91	Very high	88.3	Confident	59 Å²	59	61.5 Å²	61.5	49%	0.488	31%	0.306	S	S	.	.	H	α-helix	trans	-60.4	-40.8	177.6	0	0	0	0	0	112.7	E91 T92 R99	E91-A95 VanDerWaalsContact O-CB 3.28Å; E91-A95 WeakPolarHBondContact O-CB 3.25Å; E91-A95 PolarHBondContact O-N 2.72Å; T92-A95 PolarHBondContact O-N 3.45Å; A95-R99 WeakPolarHBondContact O-CB 3.32Å; A95-R99 PolarHBondContact O-N 3.41Å
96	D	89.9	Confident	88.7	Confident	92 Å²	92	63.5 Å²	63.5	49%	0.492	31%	0.312	S	S	.	.	H	α-helix	trans	-67.7	-35.8	174.2	-85	-32	0	0	0	112.4	T92 I94 R100	T92-D96 PolarHBondContact O-N 3.3Å; T92-D96 VanDerWaalsContact O-N 3.09Å; I94-D96 VanDerWaalsContact C-N 3.35Å; I94-D96 PolarHBondContact O-N 3.09Å; D96-R100 VanDerWaalsContact O-CB 3.24Å; D96-R100 WeakPolarHBondContact O-CB 3.36Å; D96-R100 PolarHBondContact O-N 3.31Å
97	C	86.8	Confident	88.8	Confident	13 Å²	13	71 Å²	71	9%	0.088	34%	0.34	C	S	.	.	H	α-helix	trans	-71.3	-39	176.9	-68.1	0	0	0	0	112.6	F93 I94 R100 T101 F218	F93-C97 VanDerWaalsContact CZ-SG 3.59Å; F93-C97 PolarHBondContact O-N 2.91Å; F93-C97 VanDerWaalsContact O-N 3.14Å; F93-C97 PolarHBondContact O-SG 3.32Å; I94-C97 CarbonylContact O-C 3.59Å; I94-C97 PolarHBondContact O-N 3.37Å; I94-C97 VanDerWaalsContact O-N 3.11Å; C97-R100 PolarHBondContact O-N 3Å; C97-T101 WeakPolarHBondContact O-CB 3.19Å; C97-T101 PolarHBondContact O-N 3.02Å; C97-T101 PolarHBondContact O-OG1 2.79Å; C97-F218 HydrophobicContact CB-CE1 4.31Å
98	D	90.4	Very high	88.6	Confident	61 Å²	61	71.6 Å²	71.6	33%	0.326	34%	0.342	S	S	.	.	H	α-helix	trans	-71.6	-41	176.9	-68.5	-10.9	0	0	0	110.4	I94 R100 T101 E102 R222	I94-D98 WeakPolarHBondContact CG2-OD2 3.36Å; I94-D98 WeakPolarHBondContact O-CB 3.47Å; I94-D98 VanDerWaalsContact O-CG 3.3Å; I94-D98 PolarHBondContact O-N 2.84Å; D98-R100 VanDerWaalsContact C-N 3.35Å; D98-R100 PolarHBondContact O-N 3.07Å; D98-T101 CarbonylContact O-C 3.54Å; D98-T101 WeakPolarHBondContact O-CA 3.23Å; D98-T101 WeakPolarHBondContact O-CB 3.46Å; D98-T101 PolarHBondContact O-N 2.93Å; D98-T101 VanDerWaalsContact O-N 3.12Å; D98-E102 PolarHBondContact O-N 3.11Å; D98-R222 IonicContact OD1-CZ 2.69Å; D98-R222 IonicContact OD1-NH2 2.73Å; D98-R222 PolarHBondContact OD1-NH2 2.62Å
99	R	91	Very high	88.5	Confident	164 Å²	164	69 Å²	69	62%	0.619	33%	0.334	S	S	*	.	H	α-helix	trans	-59.7	-41.6	170.1	-178	-177.4	179.9	-163	1.4	112.3	A95 T101 E102 L103	A95-R99 WeakPolarHBondContact O-CB 3.32Å; A95-R99 PolarHBondContact O-N 3.41Å; R99-T101 VanDerWaalsContact C-N 3.33Å; R99-E102 PolarHBondContact O-N 3.07Å; R99-L103 HydrophobicContact CG-CD1 4.41Å; R99-L103 WeakPolarHBondContact O-CG 3.45Å; R99-L103 PolarHBondContact O-N 3.48Å
100	R	88.4	Confident	88.4	Confident	136 Å²	136	69.4 Å²	69.4	51%	0.513	34%	0.336	S	S	.	.	H	α-helix	trans	-65.1	-37.3	173.9	179.6	172.9	173.7	155	-4	111.8	M54 D96 C97 D98 L103 A104	M54-R100 PolarHBondContact SD-NH2 3.38Å; M54-R100 VanDerWaalsContact SD-NH2 3.36Å; D96-R100 VanDerWaalsContact O-CB 3.24Å; D96-R100 WeakPolarHBondContact O-CB 3.36Å; D96-R100 PolarHBondContact O-N 3.31Å; C97-R100 PolarHBondContact O-N 3Å; D98-R100 VanDerWaalsContact C-N 3.35Å; D98-R100 PolarHBondContact O-N 3.07Å; R100-L103 PolarHBondContact O-N 2.98Å; R100-A104 WeakPolarHBondContact O-CB 3.36Å; R100-A104 PolarHBondContact O-N 2.89Å
101	T	89	Confident	88	Confident	8 Å²	8	71.8 Å²	71.8	5%	0.049	35%	0.351	C	S	.	.	H	α-helix	trans	-66.6	-42.2	174.7	-60.4	0	0	0	0	111.5	C97 D98 R99 A104 K105 V189 S194	C97-T101 WeakPolarHBondContact O-CB 3.19Å; C97-T101 PolarHBondContact O-N 3.02Å; C97-T101 PolarHBondContact O-OG1 2.79Å; D98-T101 CarbonylContact O-C 3.54Å; D98-T101 WeakPolarHBondContact O-CA 3.23Å; D98-T101 WeakPolarHBondContact O-CB 3.46Å; D98-T101 PolarHBondContact O-N 2.93Å; D98-T101 VanDerWaalsContact O-N 3.12Å; R99-T101 VanDerWaalsContact C-N 3.33Å; T101-A104 PolarHBondContact O-N 3.29Å; T101-K105 WeakPolarHBondContact O-CB 3.47Å; T101-K105 WeakPolarHBondContact O-CG 3.48Å; T101-K105 PolarHBondContact O-N 3.02Å; T101-V189 HydrophobicContact CG2-CG1 3.85Å; T101-S194 WeakPolarHBondContact OG1-CB 3.25Å
102	E	90.5	Very high	87.2	Confident	106 Å²	106	70.7 Å²	70.7	50%	0.495	35%	0.346	S	S	.	.	H	α-helix	trans	-60.3	-45.4	171.5	-82.7	-165.7	-153	0	0	112.6	D98 R99 A104 K105 K106	D98-E102 PolarHBondContact O-N 3.11Å; R99-E102 PolarHBondContact O-N 3.07Å; E102-A104 VanDerWaalsContact C-N 3.3Å; E102-A104 PolarHBondContact O-N 3.01Å; E102-K105 PolarHBondContact O-N 3.46Å; E102-K106 WeakPolarHBondContact O-CB 3.21Å; E102-K106 WeakPolarHBondContact O-CG 3.19Å; E102-K106 PolarHBondContact O-N 3.22Å; E102-K106 IonicContact OE2-NZ 2.72Å; E102-K106 PolarHBondContact OE2-NZ 2.9Å
103	L	90.4	Very high	86.6	Confident	84 Å²	84	72.8 Å²	72.8	44%	0.44	35%	0.349	S	S	.	.	H	α-helix	trans	-65.2	-34.4	178.7	-72	168.7	0	0	0	111.9	R99 R100 R107	R99-L103 HydrophobicContact CG-CD1 4.41Å; R99-L103 WeakPolarHBondContact O-CG 3.45Å; R99-L103 PolarHBondContact O-N 3.48Å; R100-L103 PolarHBondContact O-N 2.98Å; L103-R107 WeakPolarHBondContact O-CB 3.41Å; L103-R107 WeakPolarHBondContact O-CD 3.21Å; L103-R107 VanDerWaalsContact O-CG 3.27Å; L103-R107 WeakPolarHBondContact O-CG 3.38Å; L103-R107 PolarHBondContact O-N 3.36Å; L103-R107 VanDerWaalsContact O-N 3.09Å
104	A	88	Confident	86.1	Confident	10 Å²	10	77.7 Å²	77.7	8%	0.083	37%	0.372	C	S	.	.	H	α-helix	trans	-69	-40.9	171.9	0	0	0	0	0	112.1	R100 T101 E102 L108 V189 Y196	R100-A104 WeakPolarHBondContact O-CB 3.36Å; R100-A104 PolarHBondContact O-N 2.89Å; T101-A104 PolarHBondContact O-N 3.29Å; E102-A104 VanDerWaalsContact C-N 3.3Å; E102-A104 PolarHBondContact O-N 3.01Å; A104-L108 PolarHBondContact O-N 3.43Å; A104-L108 VanDerWaalsContact O-N 3.08Å; A104-V189 HydrophobicContact CB-CG1 4.29Å; A104-V189 HydrophobicContact CB-CG2 3.79Å; A104-Y196 HydrophobicContact CB-CE1 4.19Å
105	K	88.3	Confident	85.3	Confident	85 Å²	85	78.3 Å²	78.3	37%	0.37	38%	0.376	S	S	.	.	H	α-helix	trans	-63.1	-44.4	174.2	-76.7	177.2	172.5	-174.4	0	112	T101 E102 L108 A109 V189 E191	T101-K105 WeakPolarHBondContact O-CB 3.47Å; T101-K105 WeakPolarHBondContact O-CG 3.48Å; T101-K105 PolarHBondContact O-N 3.02Å; E102-K105 PolarHBondContact O-N 3.46Å; K105-L108 PolarHBondContact O-N 2.81Å; K105-A109 PolarHBondContact O-N 3.09Å; K105-V189 HydrophobicContact CG-CB 4Å; K105-V189 HydrophobicContact CG-CG1 4.48Å; K105-V189 HydrophobicContact CG-CG2 4.24Å; K105-E191 IonicContact NZ-OE1 2.67Å; K105-E191 PolarHBondContact NZ-OE1 3.23Å
106	K	89.8	Confident	84.5	Confident	100 Å²	100	78.2 Å²	78.2	44%	0.435	37%	0.372	S	S	.	.	H	α-helix	trans	-61.9	-47	177.7	-76.7	162.6	177.3	159.9	0	111.3	E102 L108 A109 E110	E102-K106 WeakPolarHBondContact O-CB 3.21Å; E102-K106 WeakPolarHBondContact O-CG 3.19Å; E102-K106 PolarHBondContact O-N 3.22Å; E102-K106 IonicContact OE2-NZ 2.72Å; E102-K106 PolarHBondContact OE2-NZ 2.9Å; K106-L108 VanDerWaalsContact C-N 3.35Å; K106-L108 PolarHBondContact O-N 3.45Å; K106-A109 CarbonylContact O-C 3.52Å; K106-A109 WeakPolarHBondContact O-CB 3.39Å; K106-A109 PolarHBondContact O-N 3.08Å; K106-A109 VanDerWaalsContact O-N 3.09Å; K106-E110 WeakPolarHBondContact O-CB 3.15Å; K106-E110 VanDerWaalsContact O-CD 3.3Å; K106-E110 WeakPolarHBondContact O-CG 3.44Å; K106-E110 PolarHBondContact O-N 2.8Å
107	R	86.8	Confident	83.9	Confident	158 Å²	158	76.7 Å²	76.7	60%	0.596	37%	0.372	S	S	*	.	H	α-helix	trans	-60.7	-37.7	174.4	-72.9	170.3	178.6	-178.6	-2.2	114.1	L103 E110 T111	L103-R107 WeakPolarHBondContact O-CB 3.41Å; L103-R107 WeakPolarHBondContact O-CD 3.21Å; L103-R107 VanDerWaalsContact O-CG 3.27Å; L103-R107 WeakPolarHBondContact O-CG 3.38Å; L103-R107 PolarHBondContact O-N 3.36Å; L103-R107 VanDerWaalsContact O-N 3.09Å; R107-E110 WeakPolarHBondContact CA-OE2 3.32Å; R107-T111 WeakPolarHBondContact O-CG2 3.38Å; R107-T111 PolarHBondContact O-N 3.39Å; R107-T111 PolarHBondContact O-OG1 2.98Å
108	L	82.5	Confident	83.3	Confident	22 Å²	22	81.7 Å²	81.7	12%	0.115	39%	0.394	C	S	.	.	H	α-helix	trans	-66.1	-45.2	171.4	-74.1	-167.8	0	0	0	111.5	A104 K105 K106 T111 Q112 L187 V189 Y196	A104-L108 PolarHBondContact O-N 3.43Å; A104-L108 VanDerWaalsContact O-N 3.08Å; K105-L108 PolarHBondContact O-N 2.81Å; K106-L108 VanDerWaalsContact C-N 3.35Å; K106-L108 PolarHBondContact O-N 3.45Å; L108-T111 PolarHBondContact O-N 3.5Å; L108-T111 PolarHBondContact O-OG1 2.83Å; L108-T111 VanDerWaalsContact O-OG1 3.07Å; L108-Q112 VanDerWaalsContact O-CB 3.23Å; L108-Q112 WeakPolarHBondContact O-CB 3.39Å; L108-Q112 WeakPolarHBondContact O-CG 3.36Å; L108-Q112 PolarHBondContact O-N 2.81Å; L108-L187 HydrophobicContact CD1-CB 4.23Å; L108-L187 WeakPolarHBondContact CD1-O 3.48Å; L108-L187 HydrophobicContact CD2-CB 4.45Å; L108-V189 HydrophobicContact CD1-CG2 3.82Å; L108-V189 HydrophobicContact CG-CG2 4.37Å; L108-Y196 HydrophobicContact CD1-CD1 3.89Å; L108-Y196 HydrophobicContact CD1-CE1 3.98Å; L108-Y196 HydrophobicContact CD2-CD1 4.21Å; L108-Y196 HydrophobicContact CD2-CE1 3.93Å; L108-Y196 HydrophobicContact CG-CD1 4.19Å; L108-Y196 HydrophobicContact CG-CE1 3.81Å
109	A	84.6	Confident	82.7	Confident	38 Å²	38	80 Å²	80	31%	0.314	39%	0.386	S	S	.	.	H	α-helix	trans	-60.1	-48.2	177.5	0	0	0	0	0	111.4	K105 K106 T111 Q112 E113	K105-A109 PolarHBondContact O-N 3.09Å; K106-A109 CarbonylContact O-C 3.52Å; K106-A109 WeakPolarHBondContact O-CB 3.39Å; K106-A109 PolarHBondContact O-N 3.08Å; K106-A109 VanDerWaalsContact O-N 3.09Å; A109-T111 PolarHBondContact O-N 3Å; A109-Q112 CarbonylContact O-C 3.54Å; A109-Q112 PolarHBondContact O-N 2.67Å; A109-Q112 VanDerWaalsContact O-N 3.12Å; A109-E113 WeakPolarHBondContact O-CB 3.48Å; A109-E113 WeakPolarHBondContact O-CG 3.37Å; A109-E113 PolarHBondContact O-N 3.4Å
110	E	84.7	Confident	82.1	Confident	104 Å²	104	74.4 Å²	74.4	49%	0.486	37%	0.374	S	S	.	.	H	α-helix	trans	-52.4	-54.8	174.7	-71.1	153.8	-168.1	0	0	110.8	K106 R107 Q112 E113 E114	K106-E110 WeakPolarHBondContact O-CB 3.15Å; K106-E110 VanDerWaalsContact O-CD 3.3Å; K106-E110 WeakPolarHBondContact O-CG 3.44Å; K106-E110 PolarHBondContact O-N 2.8Å; R107-E110 WeakPolarHBondContact CA-OE2 3.32Å; E110-Q112 VanDerWaalsContact C-N 3.33Å; E110-Q112 PolarHBondContact O-N 3.13Å; E110-E113 PolarHBondContact O-N 3.22Å; E110-E114 WeakPolarHBondContact O-CB 3.23Å; E110-E114 VanDerWaalsContact O-CG 3.32Å; E110-E114 WeakPolarHBondContact O-CG 3.28Å; E110-E114 PolarHBondContact O-N 3.16Å
111	T	77.9	Confident	81.8	Confident	52 Å²	52	70.4 Å²	70.4	32%	0.319	37%	0.371	S	S	.	.	H	α-helix	trans	-66.9	-28.9	177.8	54.1	0	0	0	0	114.1	R107 L108 A109 I115	R107-T111 WeakPolarHBondContact O-CG2 3.38Å; R107-T111 PolarHBondContact O-N 3.39Å; R107-T111 PolarHBondContact O-OG1 2.98Å; L108-T111 PolarHBondContact O-N 3.5Å; L108-T111 PolarHBondContact O-OG1 2.83Å; L108-T111 VanDerWaalsContact O-OG1 3.07Å; A109-T111 PolarHBondContact O-N 3Å; T111-I115 WeakPolarHBondContact O-CB 3.34Å; T111-I115 WeakPolarHBondContact O-CD1 3.49Å; T111-I115 WeakPolarHBondContact O-CG1 3.37Å; T111-I115 PolarHBondContact O-N 2.86Å; T111-I115 VanDerWaalsContact O-N 3.09Å
112	Q	74.4	Confident	81.4	Confident	59 Å²	59	72.7 Å²	72.7	28%	0.276	38%	0.38	S	S	.	.	H	α-helix	trans	-74.8	-37.4	175.7	-74.9	172.6	7.3	0	0	111.7	L108 A109 E110 S116 Q185 L187	L108-Q112 VanDerWaalsContact O-CB 3.23Å; L108-Q112 WeakPolarHBondContact O-CB 3.39Å; L108-Q112 WeakPolarHBondContact O-CG 3.36Å; L108-Q112 PolarHBondContact O-N 2.81Å; A109-Q112 CarbonylContact O-C 3.54Å; A109-Q112 PolarHBondContact O-N 2.67Å; A109-Q112 VanDerWaalsContact O-N 3.12Å; E110-Q112 VanDerWaalsContact C-N 3.33Å; E110-Q112 PolarHBondContact O-N 3.13Å; Q112-S116 WeakPolarHBondContact O-CB 3.47Å; Q112-S116 PolarHBondContact O-N 3.38Å; Q112-S116 PolarHBondContact O-OG 2.73Å; Q112-Q185 HydrophobicContact CG-CG 4.47Å; Q112-Q185 PolarHBondContact NE2-O 3.08Å; Q112-L187 PolarHBondContact NE2-O 3.11Å
113	E	76.6	Confident	81	Confident	133 Å²	133	68.7 Å²	68.7	62%	0.621	37%	0.365	S	S	*	.	H	α-helix	trans	-68.3	-43.7	173	-74.3	175.8	-171.4	0	0	110.8	A109 E110 S116 A117	A109-E113 WeakPolarHBondContact O-CB 3.48Å; A109-E113 WeakPolarHBondContact O-CG 3.37Å; A109-E113 PolarHBondContact O-N 3.4Å; E110-E113 PolarHBondContact O-N 3.22Å; E113-S116 WeakPolarHBondContact CA-OG 3.17Å; E113-S116 PolarHBondContact O-N 3.24Å; E113-S116 PolarHBondContact O-OG 2.76Å; E113-A117 WeakPolarHBondContact O-CB 3.46Å; E113-A117 PolarHBondContact O-N 2.99Å
114	E	77.7	Confident	80.8	Confident	127 Å²	127	70.7 Å²	70.7	59%	0.593	37%	0.372	S	S	*	.	H	α-helix	trans	-57.7	-54	173.1	-74.2	172.6	163.5	0	0	111.9	E110 S116 A117 E118	E110-E114 WeakPolarHBondContact O-CB 3.23Å; E110-E114 VanDerWaalsContact O-CG 3.32Å; E110-E114 WeakPolarHBondContact O-CG 3.28Å; E110-E114 PolarHBondContact O-N 3.16Å; E114-S116 PolarHBondContact O-N 3.25Å; E114-A117 PolarHBondContact O-N 3.42Å; E114-E118 PolarHBondContact O-N 3.48Å
115	I	73.2	Confident	80.7	Confident	33 Å²	33	74.5 Å²	74.5	17%	0.169	39%	0.386	C	S	.	.	H	α-helix	trans	-66.1	-39	-178.8	-62.4	163.9	0	0	0	111	T111 V119 Q185	T111-I115 WeakPolarHBondContact O-CB 3.34Å; T111-I115 WeakPolarHBondContact O-CD1 3.49Å; T111-I115 WeakPolarHBondContact O-CG1 3.37Å; T111-I115 PolarHBondContact O-N 2.86Å; T111-I115 VanDerWaalsContact O-N 3.09Å; I115-V119 WeakPolarHBondContact O-CB 3.5Å; I115-V119 VanDerWaalsContact O-CG2 3.25Å; I115-V119 WeakPolarHBondContact O-CG2 3.27Å; I115-V119 PolarHBondContact O-N 3.05Å; I115-Q185 HydrophobicContact CG2-CG 4.37Å
116	S	73	Confident	80.6	Confident	58 Å²	58	71.1 Å²	71.1	41%	0.406	37%	0.373	S	S	.	.	H	α-helix	trans	-73.5	-33.1	179	60	0	0	0	0	113	Q112 E113 E114 V119 A120	Q112-S116 WeakPolarHBondContact O-CB 3.47Å; Q112-S116 PolarHBondContact O-N 3.38Å; Q112-S116 PolarHBondContact O-OG 2.73Å; E113-S116 WeakPolarHBondContact CA-OG 3.17Å; E113-S116 PolarHBondContact O-N 3.24Å; E113-S116 PolarHBondContact O-OG 2.76Å; E114-S116 PolarHBondContact O-N 3.25Å; S116-V119 PolarHBondContact O-N 3.3Å; S116-A120 WeakPolarHBondContact O-CB 3.4Å; S116-A120 PolarHBondContact O-N 2.79Å
117	A	78.5	Confident	80.5	Confident	60 Å²	60	72.4 Å²	72.4	50%	0.496	38%	0.38	S	S	.	.	H	α-helix	trans	-68.2	-41.7	172.5	0	0	0	0	0	111.9	E113 E114 A120 A121	E113-A117 WeakPolarHBondContact O-CB 3.46Å; E113-A117 PolarHBondContact O-N 2.99Å; E114-A117 PolarHBondContact O-N 3.42Å; A117-A120 PolarHBondContact O-N 3.28Å; A117-A121 WeakPolarHBondContact O-CB 3.49Å; A117-A121 PolarHBondContact O-N 3.1Å
118	E	74.6	Confident	80.7	Confident	117 Å²	117	71 Å²	71	55%	0.547	38%	0.381	S	S	.	.	H	α-helix	trans	-61.6	-43.4	173	-86.8	-156.3	-145.3	0	0	112.4	E114 K122	E114-E118 PolarHBondContact O-N 3.48Å; E118-K122 WeakPolarHBondContact O-CB 3.33Å; E118-K122 WeakPolarHBondContact O-CD 3.48Å; E118-K122 VanDerWaalsContact O-CG 3.23Å; E118-K122 WeakPolarHBondContact O-CG 3.42Å; E118-K122 PolarHBondContact O-N 3.18Å; E118-K122 VanDerWaalsContact O-N 3.15Å; E118-K122 IonicContact OE2-NZ 2.61Å; E118-K122 PolarHBondContact OE2-NZ 3.21Å
119	V	76.2	Confident	81	Confident	26 Å²	26	71.1 Å²	71.1	16%	0.158	38%	0.381	C	S	.	.	H	α-helix	trans	-67.7	-41	177.5	168.4	0	0	0	0	110.9	I115 S116 K122 A123 Y173 M177	I115-V119 WeakPolarHBondContact O-CB 3.5Å; I115-V119 VanDerWaalsContact O-CG2 3.25Å; I115-V119 WeakPolarHBondContact O-CG2 3.27Å; I115-V119 PolarHBondContact O-N 3.05Å; S116-V119 PolarHBondContact O-N 3.3Å; V119-K122 PolarHBondContact O-N 3.22Å; V119-A123 WeakPolarHBondContact O-CB 3.47Å; V119-A123 PolarHBondContact O-N 2.99Å; V119-Y173 HydrophobicContact CG1-CE2 3.89Å; V119-M177 HydrophobicContact CG1-CE 3.6Å; V119-M177 HydrophobicContact CG2-CE 4.48Å
120	A	79.6	Confident	81.2	Confident	46 Å²	46	72.2 Å²	72.2	38%	0.38	38%	0.382	S	S	.	.	H	α-helix	trans	-63.1	-50.9	176.6	0	0	0	0	0	111.7	S116 A117 K122 A123 E124	S116-A120 WeakPolarHBondContact O-CB 3.4Å; S116-A120 PolarHBondContact O-N 2.79Å; A117-A120 PolarHBondContact O-N 3.28Å; A120-K122 VanDerWaalsContact C-N 3.27Å; A120-K122 PolarHBondContact O-N 3.27Å; A120-A123 CarbonylContact O-C 3.59Å; A120-A123 WeakPolarHBondContact O-CA 3.4Å; A120-A123 WeakPolarHBondContact O-CB 3.28Å; A120-A123 PolarHBondContact O-N 3.26Å; A120-E124 WeakPolarHBondContact O-CG 3.45Å; A120-E124 PolarHBondContact O-N 3.47Å
121	A	82.3	Confident	81.6	Confident	53 Å²	53	72.7 Å²	72.7	44%	0.438	38%	0.384	S	S	.	.	H	α-helix	trans	-61.5	-34.3	179.3	0	0	0	0	0	112.6	A117 K125	A117-A121 WeakPolarHBondContact O-CB 3.49Å; A117-A121 PolarHBondContact O-N 3.1Å; A121-K125 WeakPolarHBondContact O-CB 3.44Å; A121-K125 PolarHBondContact O-N 3.24Å
122	K	80.5	Confident	82.2	Confident	56 Å²	56	75 Å²	75	24%	0.243	39%	0.391	C	S	.	.	H	α-helix	trans	-74.1	-33.6	174.5	-68.7	167.1	-163.9	165.9	0	112.1	E118 V119 A120 V126 Y173 S176	E118-K122 WeakPolarHBondContact O-CB 3.33Å; E118-K122 WeakPolarHBondContact O-CD 3.48Å; E118-K122 VanDerWaalsContact O-CG 3.23Å; E118-K122 WeakPolarHBondContact O-CG 3.42Å; E118-K122 PolarHBondContact O-N 3.18Å; E118-K122 VanDerWaalsContact O-N 3.15Å; E118-K122 IonicContact OE2-NZ 2.61Å; E118-K122 PolarHBondContact OE2-NZ 3.21Å; V119-K122 PolarHBondContact O-N 3.22Å; A120-K122 VanDerWaalsContact C-N 3.27Å; A120-K122 PolarHBondContact O-N 3.27Å; K122-V126 WeakPolarHBondContact O-CG2 3.35Å; K122-V126 PolarHBondContact O-N 3.12Å; K122-Y173 HydrophobicContact CB-CD2 3.9Å; K122-S176 VanDerWaalsContact CD-OG 3.25Å; K122-S176 WeakPolarHBondContact CD-OG 3.44Å
123	A	82.6	Confident	83	Confident	21 Å²	21	72.9 Å²	72.9	17%	0.174	38%	0.382	C	S	.	.	H	α-helix	trans	-66.9	-44.8	170.5	0	0	0	0	0	111.7	V119 A120 V126 H127 Y173	V119-A123 WeakPolarHBondContact O-CB 3.47Å; V119-A123 PolarHBondContact O-N 2.99Å; A120-A123 CarbonylContact O-C 3.59Å; A120-A123 WeakPolarHBondContact O-CA 3.4Å; A120-A123 WeakPolarHBondContact O-CB 3.28Å; A120-A123 PolarHBondContact O-N 3.26Å; A123-V126 CarbonylContact O-C 3.57Å; A123-V126 WeakPolarHBondContact O-CA 2.99Å; A123-V126 WeakPolarHBondContact O-CB 3.15Å; A123-V126 PolarHBondContact O-N 3.49Å; A123-V126 VanDerWaalsContact O-N 3.1Å; A123-H127 PolarHBondContact O-CD2 2.79Å; A123-H127 PolarHBondContact O-N 3.32Å; A123-Y173 HydrophobicContact CB-CD2 4.47Å; A123-Y173 HydrophobicContact CB-CE2 3.82Å
124	E	85.3	Confident	83.7	Confident	127 Å²	127	68.4 Å²	68.4	59%	0.593	37%	0.371	S	S	*	.	H	α-helix	trans	-57.9	-48.9	175.4	-73.7	177.7	154.1	0	0	111.1	A120 V126 H127 E128	A120-E124 WeakPolarHBondContact O-CG 3.45Å; A120-E124 PolarHBondContact O-N 3.47Å; E124-V126 PolarHBondContact O-N 2.92Å; E124-H127 CarbonylContact O-C 3.52Å; E124-H127 WeakPolarHBondContact O-CA 3.34Å; E124-H127 WeakPolarHBondContact O-CB 3.47Å; E124-H127 PolarHBondContact O-N 3.08Å; E124-E128 WeakPolarHBondContact O-CG 3.49Å; E124-E128 PolarHBondContact O-N 3.43Å
125	K	85.4	Confident	84.4	Confident	89 Å²	89	67.9 Å²	67.9	39%	0.387	37%	0.367	S	S	.	.	H	α-helix	trans	-55.3	-36.8	173.4	-175.4	-174	174.7	-165.3	0	112.8	A121 L129 E172	A121-K125 WeakPolarHBondContact O-CB 3.44Å; A121-K125 PolarHBondContact O-N 3.24Å; K125-L129 WeakPolarHBondContact O-CD1 3.28Å; K125-L129 VanDerWaalsContact O-CG 3.3Å; K125-L129 WeakPolarHBondContact O-CG 3.19Å; K125-L129 PolarHBondContact O-N 2.83Å; K125-E172 IonicContact NZ-OE2 2.74Å; K125-E172 PolarHBondContact NZ-OE2 2.9Å
126	V	86.8	Confident	85.2	Confident	15 Å²	15	68 Å²	68	9%	0.091	37%	0.367	C	S	.	.	H	α-helix	trans	-71.4	-38.2	173.1	169.4	0	0	0	0	111.3	K122 A123 E124 N130 A169 E170	K122-V126 WeakPolarHBondContact O-CG2 3.35Å; K122-V126 PolarHBondContact O-N 3.12Å; A123-V126 CarbonylContact O-C 3.57Å; A123-V126 WeakPolarHBondContact O-CA 2.99Å; A123-V126 WeakPolarHBondContact O-CB 3.15Å; A123-V126 PolarHBondContact O-N 3.49Å; A123-V126 VanDerWaalsContact O-N 3.1Å; E124-V126 PolarHBondContact O-N 2.92Å; V126-N130 PolarHBondContact O-N 3.41Å; V126-N130 VanDerWaalsContact O-N 3.07Å; V126-N130 PolarHBondContact O-ND2 3.44Å; V126-A169 HydrophobicContact CG2-CB 3.89Å; V126-E170 HydrophobicContact CG1-CG 3.87Å; V126-E170 HydrophobicContact CG2-CG 4.21Å
127	H	87.6	Confident	86	Confident	126 Å²	126	67.5 Å²	67.5	58%	0.583	36%	0.36	S	S	*	.	H	α-helix	trans	-66.2	-43.3	175.1	-75.5	-66.7	0	0	0	112.6	A123 E124 L129 N130 E131	A123-H127 PolarHBondContact O-CD2 2.79Å; A123-H127 PolarHBondContact O-N 3.32Å; E124-H127 CarbonylContact O-C 3.52Å; E124-H127 WeakPolarHBondContact O-CA 3.34Å; E124-H127 WeakPolarHBondContact O-CB 3.47Å; E124-H127 PolarHBondContact O-N 3.08Å; H127-L129 PolarHBondContact O-N 2.89Å; H127-N130 WeakPolarHBondContact O-CB 3.41Å; H127-N130 PolarHBondContact O-N 2.93Å; H127-N130 VanDerWaalsContact O-N 3.11Å; H127-E131 PolarHBondContact O-N 2.92Å
128	E	90.3	Very high	86.6	Confident	130 Å²	130	66.7 Å²	66.7	61%	0.607	35%	0.353	S	S	*	.	H	α-helix	trans	-55.6	-49.8	173.6	-70.8	179	147.1	0	0	111.3	E124 N130 E131 E132	E124-E128 WeakPolarHBondContact O-CG 3.49Å; E124-E128 PolarHBondContact O-N 3.43Å; E128-N130 VanDerWaalsContact C-N 3.29Å; E128-N130 PolarHBondContact O-N 2.78Å; E128-E131 WeakPolarHBondContact O-CB 3.24Å; E128-E131 PolarHBondContact O-N 2.96Å; E128-E131 VanDerWaalsContact O-N 3.08Å; E128-E132 PolarHBondContact O-N 3.13Å
129	L	89.2	Confident	87.3	Confident	23 Å²	23	66.6 Å²	66.6	12%	0.12	35%	0.351	C	S	.	.	H	α-helix	trans	-63.3	-32.2	177.1	-70.5	168.6	0	0	0	112.6	K125 H127 I133 V162 K166 A169	K125-L129 WeakPolarHBondContact O-CD1 3.28Å; K125-L129 VanDerWaalsContact O-CG 3.3Å; K125-L129 WeakPolarHBondContact O-CG 3.19Å; K125-L129 PolarHBondContact O-N 2.83Å; H127-L129 PolarHBondContact O-N 2.89Å; L129-I133 WeakPolarHBondContact O-CB 3.34Å; L129-I133 WeakPolarHBondContact O-CD1 3.48Å; L129-I133 WeakPolarHBondContact O-CG1 3.43Å; L129-I133 PolarHBondContact O-N 2.82Å; L129-V162 HydrophobicContact CD2-CG1 3.86Å; L129-K166 HydrophobicContact CB-CB 4.39Å; L129-K166 HydrophobicContact CB-CG 4.47Å; L129-A169 HydrophobicContact CD1-CB 3.8Å
130	N	89.2	Confident	88	Confident	61 Å²	61	65.8 Å²	65.8	33%	0.326	35%	0.347	S	S	.	.	H	α-helix	trans	-68.4	-39.9	171.6	-79.9	-74.1	0	0	0	111.9	V126 H127 E128 I133 G134 K166	V126-N130 PolarHBondContact O-N 3.41Å; V126-N130 VanDerWaalsContact O-N 3.07Å; V126-N130 PolarHBondContact O-ND2 3.44Å; H127-N130 WeakPolarHBondContact O-CB 3.41Å; H127-N130 PolarHBondContact O-N 2.93Å; H127-N130 VanDerWaalsContact O-N 3.11Å; E128-N130 VanDerWaalsContact C-N 3.29Å; E128-N130 PolarHBondContact O-N 2.78Å; N130-I133 PolarHBondContact O-N 2.69Å; N130-G134 PolarHBondContact O-N 2.87Å; N130-K166 WeakPolarHBondContact OD1-CE 3.39Å; N130-K166 PolarHBondContact OD1-NZ 3.29Å
131	E	92	Very high	88.4	Confident	115 Å²	115	70.3 Å²	70.3	54%	0.537	36%	0.361	S	S	.	.	H	α-helix	trans	-65.8	-41.3	174.4	-74.9	-162.2	-167.1	0	0	112.6	H127 E128 G134 K135	H127-E131 PolarHBondContact O-N 2.92Å; E128-E131 WeakPolarHBondContact O-CB 3.24Å; E128-E131 PolarHBondContact O-N 2.96Å; E128-E131 VanDerWaalsContact O-N 3.08Å; E131-G134 PolarHBondContact O-N 3.45Å; E131-K135 WeakPolarHBondContact O-CB 3.15Å; E131-K135 WeakPolarHBondContact O-CD 3.49Å; E131-K135 WeakPolarHBondContact O-CG 3.47Å; E131-K135 PolarHBondContact O-N 2.87Å; E131-K135 WeakPolarHBondContact OE2-CE 3.4Å; E131-K135 IonicContact OE2-NZ 2.65Å; E131-K135 PolarHBondContact OE2-NZ 3.2Å
132	E	90.6	Very high	88.8	Confident	100 Å²	100	73.6 Å²	73.6	47%	0.467	37%	0.367	S	S	.	.	H	α-helix	trans	-61.1	-44.6	174.9	-72	-166.1	151.3	0	0	111.5	E128 G134 K135 L136 V162	E128-E132 PolarHBondContact O-N 3.13Å; E132-G134 VanDerWaalsContact C-N 3.32Å; E132-G134 PolarHBondContact O-N 3.32Å; E132-K135 PolarHBondContact O-N 2.68Å; E132-L136 WeakPolarHBondContact O-CB 3.16Å; E132-L136 WeakPolarHBondContact O-CG 3.39Å; E132-L136 PolarHBondContact O-N 2.79Å; E132-V162 HydrophobicContact CB-CG1 4.38Å
133	I	91.4	Very high	89.2	Confident	15 Å²	15	72.6 Å²	72.6	8%	0.077	36%	0.364	C	S	.	.	H	α-helix	trans	-59.1	-43.5	173.9	-71	166	0	0	0	110.7	L129 N130 L136 L137 V159 V162 R163 K166	L129-I133 WeakPolarHBondContact O-CB 3.34Å; L129-I133 WeakPolarHBondContact O-CD1 3.48Å; L129-I133 WeakPolarHBondContact O-CG1 3.43Å; L129-I133 PolarHBondContact O-N 2.82Å; N130-I133 PolarHBondContact O-N 2.69Å; I133-L136 PolarHBondContact O-N 2.97Å; I133-L137 HydrophobicContact CG2-CD1 3.7Å; I133-L137 HydrophobicContact CG2-CG 4.3Å; I133-L137 WeakPolarHBondContact O-CB 3.42Å; I133-L137 VanDerWaalsContact O-CG 3.25Å; I133-L137 WeakPolarHBondContact O-CG 3.42Å; I133-L137 PolarHBondContact O-N 3.3Å; I133-V159 HydrophobicContact CG2-CG1 4.36Å; I133-V162 HydrophobicContact CD1-CG1 4.08Å; I133-V162 HydrophobicContact CG1-CB 4.01Å; I133-V162 HydrophobicContact CG1-CG1 3.59Å; I133-R163 HydrophobicContact CD1-CG 3.88Å; I133-R163 HydrophobicContact CG1-CG 4.43Å; I133-K166 HydrophobicContact CD1-CB 3.99Å; I133-K166 HydrophobicContact CD1-CD 3.77Å; I133-K166 HydrophobicContact CD1-CG 4.34Å
134	G	91	Very high	89.4	Confident	39 Å²	39	73.8 Å²	73.8	40%	0.402	38%	0.378	S	S	.	.	H	α-helix	trans	-62	-45.6	175.7	0	0	0	0	0	113.1	N130 E131 E132 L136 L137 A138	N130-G134 PolarHBondContact O-N 2.87Å; E131-G134 PolarHBondContact O-N 3.45Å; E132-G134 VanDerWaalsContact C-N 3.32Å; E132-G134 PolarHBondContact O-N 3.32Å; G134-L136 PolarHBondContact O-N 2.88Å; G134-L137 PolarHBondContact O-N 3.36Å; G134-A138 WeakPolarHBondContact O-CB 3.5Å; G134-A138 PolarHBondContact O-N 2.86Å
135	K	92.5	Very high	89.5	Confident	116 Å²	116	72.1 Å²	72.1	50%	0.504	39%	0.386	S	S	.	.	H	α-helix	trans	-66	-34.3	179	-68.8	159.1	-168.1	165.7	0	112.4	E131 E132 K139	E131-K135 WeakPolarHBondContact O-CB 3.15Å; E131-K135 WeakPolarHBondContact O-CD 3.49Å; E131-K135 WeakPolarHBondContact O-CG 3.47Å; E131-K135 PolarHBondContact O-N 2.87Å; E131-K135 WeakPolarHBondContact OE2-CE 3.4Å; E131-K135 IonicContact OE2-NZ 2.65Å; E131-K135 PolarHBondContact OE2-NZ 3.2Å; E132-K135 PolarHBondContact O-N 2.68Å; K135-K139 WeakPolarHBondContact O-CG 3.36Å; K135-K139 PolarHBondContact O-N 3.37Å
136	L	90.2	Very high	89.7	Confident	34 Å²	34	74.4 Å²	74.4	18%	0.178	40%	0.398	C	S	.	.	H	α-helix	trans	-79.1	-37.9	176.6	-70.7	170.3	0	0	0	112.5	E132 I133 G134 K139 A140 V155 V159 V162	E132-L136 WeakPolarHBondContact O-CB 3.16Å; E132-L136 WeakPolarHBondContact O-CG 3.39Å; E132-L136 PolarHBondContact O-N 2.79Å; I133-L136 PolarHBondContact O-N 2.97Å; G134-L136 PolarHBondContact O-N 2.88Å; L136-K139 PolarHBondContact O-N 3.09Å; L136-A140 PolarHBondContact O-N 3.1Å; L136-V155 HydrophobicContact CB-CG1 4.44Å; L136-V155 HydrophobicContact CD2-CG1 4.33Å; L136-V155 WeakPolarHBondContact O-CG1 3.45Å; L136-V159 HydrophobicContact CB-CG2 3.51Å; L136-V159 HydrophobicContact CD1-CG2 4.49Å; L136-V162 HydrophobicContact CD1-CG2 4.02Å
137	L	89.8	Confident	89.6	Confident	49 Å²	49	76 Å²	76	26%	0.257	42%	0.418	S	S	.	.	H	α-helix	trans	-61.8	-47.1	173.9	-77.5	169.9	0	0	0	111.5	I133 G134 K139 A140 E141 V159	I133-L137 HydrophobicContact CG2-CD1 3.7Å; I133-L137 HydrophobicContact CG2-CG 4.3Å; I133-L137 WeakPolarHBondContact O-CB 3.42Å; I133-L137 VanDerWaalsContact O-CG 3.25Å; I133-L137 WeakPolarHBondContact O-CG 3.42Å; I133-L137 PolarHBondContact O-N 3.3Å; G134-L137 PolarHBondContact O-N 3.36Å; L137-K139 PolarHBondContact O-N 3.39Å; L137-A140 WeakPolarHBondContact O-CB 3.3Å; L137-A140 PolarHBondContact O-N 3.16Å; L137-E141 WeakPolarHBondContact O-CG 3.41Å; L137-E141 PolarHBondContact O-N 2.93Å; L137-V159 HydrophobicContact CD2-CG1 3.98Å; L137-V159 HydrophobicContact CD2-CG2 4.31Å; L137-V159 HydrophobicContact CG-CG1 4.15Å; L137-V159 HydrophobicContact CG-CG2 4.3Å
138	A	92.1	Very high	89.6	Confident	42 Å²	42	73.6 Å²	73.6	35%	0.347	41%	0.409	S	S	.	.	H	α-helix	trans	-59.3	-34.2	176.9	0	0	0	0	0	112.9	G134 Q142	G134-A138 WeakPolarHBondContact O-CB 3.5Å; G134-A138 PolarHBondContact O-N 2.86Å; A138-Q142 VanDerWaalsContact O-CG 3.3Å; A138-Q142 WeakPolarHBondContact O-CG 3.44Å; A138-Q142 PolarHBondContact O-N 2.76Å; A138-Q142 VanDerWaalsContact O-N 3.08Å
139	K	88.4	Confident	89.2	Confident	116 Å²	116	72.2 Å²	72.2	50%	0.504	41%	0.409	S	S	.	.	H	α-helix	trans	-71.2	-39	173.2	-74.2	175.3	177.9	-175.8	0	112.8	K135 L136 L137 E141 Q142 L143	K135-K139 WeakPolarHBondContact O-CG 3.36Å; K135-K139 PolarHBondContact O-N 3.37Å; L136-K139 PolarHBondContact O-N 3.09Å; L137-K139 PolarHBondContact O-N 3.39Å; K139-E141 VanDerWaalsContact C-N 3.33Å; K139-Q142 PolarHBondContact O-N 3.06Å; K139-L143 WeakPolarHBondContact O-CG 3.39Å; K139-L143 PolarHBondContact O-N 3.11Å
140	A	90.6	Very high	89	Confident	9 Å²	9	76.8 Å²	76.8	7%	0.074	43%	0.434	C	S	.	.	H	α-helix	trans	-65.2	-37.6	175.1	0	0	0	0	0	111.7	L136 L137 G144 V155 L156	L136-A140 PolarHBondContact O-N 3.1Å; L137-A140 WeakPolarHBondContact O-CB 3.3Å; L137-A140 PolarHBondContact O-N 3.16Å; A140-G144 PolarHBondContact O-N 3.25Å; A140-V155 HydrophobicContact CB-CB 4.36Å; A140-V155 HydrophobicContact CB-CG1 4Å; A140-L156 HydrophobicContact CB-CD2 4Å; A140-L156 HydrophobicContact CB-CG 4.12Å
141	E	88.9	Confident	88.8	Confident	141 Å²	141	78.6 Å²	78.6	66%	0.659	44%	0.44	S	S	*	.	H	α-helix	trans	-64.5	-42.5	173.3	-71.6	170.7	-176.6	0	0	111.8	L137 K139 G144 A145	L137-E141 WeakPolarHBondContact O-CG 3.41Å; L137-E141 PolarHBondContact O-N 2.93Å; K139-E141 VanDerWaalsContact C-N 3.33Å; E141-G144 PolarHBondContact O-N 2.9Å; E141-A145 PolarHBondContact O-N 3.35Å
142	Q	90.3	Very high	88.6	Confident	121 Å²	121	73.6 Å²	73.6	57%	0.565	42%	0.418	S	S	*	.	H	α-helix	trans	-62.6	-52.7	175	-75.5	170.5	-11.9	0	0	112.3	A138 K139 G144 A145 E146	A138-Q142 VanDerWaalsContact O-CG 3.3Å; A138-Q142 WeakPolarHBondContact O-CG 3.44Å; A138-Q142 PolarHBondContact O-N 2.76Å; A138-Q142 VanDerWaalsContact O-N 3.08Å; K139-Q142 PolarHBondContact O-N 3.06Å; Q142-G144 PolarHBondContact O-N 2.91Å; Q142-A145 PolarHBondContact O-N 2.84Å; Q142-E146 WeakPolarHBondContact O-CG 3.49Å; Q142-E146 PolarHBondContact O-N 3.4Å
143	L	88.5	Confident	88.3	Confident	36 Å²	36	74 Å²	74	19%	0.188	42%	0.42	C	S	.	.	H	α-helix	trans	-63	-31.3	177.9	-69.8	168.4	0	0	0	112.5	K139 G147 N148 E151 A152 V155	K139-L143 WeakPolarHBondContact O-CG 3.39Å; K139-L143 PolarHBondContact O-N 3.11Å; L143-G147 PolarHBondContact O-N 3.19Å; L143-N148 HydrophobicContact CD2-CB 4.46Å; L143-N148 PolarHBondContact O-N 3.24Å; L143-E151 HydrophobicContact CD1-CB 4.35Å; L143-A152 HydrophobicContact CB-CB 4.04Å; L143-V155 HydrophobicContact CD1-CG2 3.97Å
144	G	87.7	Confident	88.1	Confident	45 Å²	45	79 Å²	79	46%	0.464	44%	0.442	S	S	.	.	H	α-helix	trans	-67	-39.2	172	0	0	0	0	0	113.1	A140 E141 Q142 G147	A140-G144 PolarHBondContact O-N 3.25Å; E141-G144 PolarHBondContact O-N 2.9Å; Q142-G144 PolarHBondContact O-N 2.91Å; G144-G147 PolarHBondContact O-N 2.79Å
145	A	87.3	Confident	88	Confident	92 Å²	92	78.2 Å²	78.2	76%	0.76	43%	0.429	S	S	*	.	H	α-helix	trans	-71.5	-30.8	174.9	0	0	0	0	0	113.1	E141 Q142 G147	E141-A145 PolarHBondContact O-N 3.35Å; Q142-A145 PolarHBondContact O-N 2.84Å; A145-G147 VanDerWaalsContact C-N 3.26Å
146	E	88.9	Confident	87.7	Confident	137 Å²	137	76.6 Å²	76.6	64%	0.64	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-12.5	172.5	-69.5	175	177.2	0	0	113.2	Q142	Q142-E146 WeakPolarHBondContact O-CG 3.49Å; Q142-E146 PolarHBondContact O-N 3.4Å
147	G	85.7	Confident	87.6	Confident	49 Å²	49	79.7 Å²	79.7	51%	0.505	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.9	5.8	177.9	0	0	0	0	0	115.3	L143 G144 A145 V149	L143-G147 PolarHBondContact O-N 3.19Å; G144-G147 PolarHBondContact O-N 2.79Å; A145-G147 VanDerWaalsContact C-N 3.26Å; G147-V149 PolarHBondContact O-N 2.9Å
148	N	86.9	Confident	87.5	Confident	76 Å²	76	82.1 Å²	82.1	41%	0.406	45%	0.449	S	S	.	.			trans	-80.7	66.2	-179.4	-73.3	-19.2	0	0	0	111.6	L143 D150 E151 A152	L143-N148 HydrophobicContact CD2-CB 4.46Å; L143-N148 PolarHBondContact O-N 3.24Å; N148-D150 VanDerWaalsContact C-N 3.34Å; N148-D150 PolarHBondContact O-N 2.92Å; N148-E151 HydrophobicContact CB-CB 4.32Å; N148-E151 PolarHBondContact O-N 3.48Å; N148-A152 PolarHBondContact O-N 2.78Å
149	V	82.4	Confident	87.5	Confident	100 Å²	100	80.3 Å²	80.3	61%	0.606	43%	0.433	S	S	*	.	H	α-helix	trans	-53.9	-45.9	-173.5	-173.8	0	0	0	0	112.5	G147 E151 A152 Q153	G147-V149 PolarHBondContact O-N 2.9Å; V149-E151 PolarHBondContact O-N 2.86Å; V149-A152 PolarHBondContact O-N 3.47Å; V149-Q153 VanDerWaalsContact O-CB 3.31Å; V149-Q153 WeakPolarHBondContact O-CB 3.33Å; V149-Q153 PolarHBondContact O-N 3.41Å
150	D	85.7	Confident	87.5	Confident	119 Å²	119	80.9 Å²	80.9	64%	0.636	44%	0.438	S	S	*	.	H	α-helix	trans	-65.4	-18.3	-179.5	-70.5	-36.2	0	0	0	114	N148 K154	N148-D150 VanDerWaalsContact C-N 3.34Å; N148-D150 PolarHBondContact O-N 2.92Å; D150-K154 VanDerWaalsContact O-CD 3.27Å; D150-K154 WeakPolarHBondContact O-CD 3.46Å; D150-K154 WeakPolarHBondContact O-CE 3.28Å; D150-K154 WeakPolarHBondContact O-CG 3.4Å; D150-K154 PolarHBondContact O-NZ 3.29Å
151	E	84.9	Confident	87.4	Confident	99 Å²	99	85.6 Å²	85.6	46%	0.463	46%	0.457	S	S	.	.	H	α-helix	trans	-96.6	-43.8	177.2	-58	-160.6	136.7	0	0	110.8	L143 N148 V149 Q153 K154 V155	L143-E151 HydrophobicContact CD1-CB 4.35Å; N148-E151 HydrophobicContact CB-CB 4.32Å; N148-E151 PolarHBondContact O-N 3.48Å; V149-E151 PolarHBondContact O-N 2.86Å; E151-Q153 PolarHBondContact O-N 3.49Å; E151-K154 WeakPolarHBondContact O-CB 3.39Å; E151-K154 PolarHBondContact O-N 3.28Å; E151-V155 PolarHBondContact O-N 3.07Å
152	A	85.9	Confident	87.4	Confident	10 Å²	10	79.4 Å²	79.4	8%	0.083	43%	0.429	C	S	.	.	H	α-helix	trans	-54.2	-41.4	170.5	0	0	0	0	0	111.6	L143 N148 V149 K154 V155 L156	L143-A152 HydrophobicContact CB-CB 4.04Å; N148-A152 PolarHBondContact O-N 2.78Å; V149-A152 PolarHBondContact O-N 3.47Å; A152-K154 VanDerWaalsContact C-N 3.33Å; A152-K154 PolarHBondContact O-N 3.19Å; A152-V155 PolarHBondContact O-N 3.02Å; A152-L156 VanDerWaalsContact O-CG 3.31Å; A152-L156 WeakPolarHBondContact O-CG 2.92Å; A152-L156 PolarHBondContact O-N 3.27Å
153	Q	85.4	Confident	87.3	Confident	109 Å²	109	80 Å²	80	51%	0.509	43%	0.426	S	S	.	.	H	α-helix	trans	-66.9	-30.1	178.8	-160.6	172.7	19.2	0	0	113.2	V149 E151 Q157	V149-Q153 VanDerWaalsContact O-CB 3.31Å; V149-Q153 WeakPolarHBondContact O-CB 3.33Å; V149-Q153 PolarHBondContact O-N 3.41Å; E151-Q153 PolarHBondContact O-N 3.49Å; Q153-Q157 WeakPolarHBondContact O-CG 3.49Å; Q153-Q157 PolarHBondContact O-N 2.91Å
154	K	87.9	Confident	87.4	Confident	120 Å²	120	82 Å²	82	52%	0.522	44%	0.439	S	S	.	.	H	α-helix	trans	-71.2	-45.5	172.4	-66.5	164.7	-167.9	132	0	111.1	D150 E151 A152 L156 Q157 E158	D150-K154 VanDerWaalsContact O-CD 3.27Å; D150-K154 WeakPolarHBondContact O-CD 3.46Å; D150-K154 WeakPolarHBondContact O-CE 3.28Å; D150-K154 WeakPolarHBondContact O-CG 3.4Å; D150-K154 PolarHBondContact O-NZ 3.29Å; E151-K154 WeakPolarHBondContact O-CB 3.39Å; E151-K154 PolarHBondContact O-N 3.28Å; A152-K154 VanDerWaalsContact C-N 3.33Å; A152-K154 PolarHBondContact O-N 3.19Å; K154-L156 VanDerWaalsContact C-N 3.28Å; K154-L156 PolarHBondContact O-N 3.31Å; K154-Q157 WeakPolarHBondContact O-CB 3.48Å; K154-Q157 PolarHBondContact O-N 3.32Å; K154-Q157 VanDerWaalsContact O-N 3.15Å; K154-E158 PolarHBondContact O-N 3.42Å
155	V	88.1	Confident	87.4	Confident	23 Å²	23	87.2 Å²	87.2	14%	0.139	45%	0.445	C	S	.	.	H	α-helix	trans	-61.9	-37.5	176.6	-180	0	0	0	0	110.9	L136 A140 L143 E151 A152 E158 V159	L136-V155 HydrophobicContact CB-CG1 4.44Å; L136-V155 HydrophobicContact CD2-CG1 4.33Å; L136-V155 WeakPolarHBondContact O-CG1 3.45Å; A140-V155 HydrophobicContact CB-CB 4.36Å; A140-V155 HydrophobicContact CB-CG1 4Å; L143-V155 HydrophobicContact CD1-CG2 3.97Å; E151-V155 PolarHBondContact O-N 3.07Å; A152-V155 PolarHBondContact O-N 3.02Å; V155-E158 WeakPolarHBondContact O-CB 3.4Å; V155-E158 PolarHBondContact O-N 2.87Å; V155-E158 VanDerWaalsContact O-N 3.12Å; V155-V159 WeakPolarHBondContact O-CG2 3.27Å; V155-V159 PolarHBondContact O-N 3.4Å
156	L	85.9	Confident	87.4	Confident	82 Å²	82	84.9 Å²	84.9	43%	0.429	42%	0.418	S	S	.	.	H	α-helix	trans	-63.8	-40.9	173.6	-72.4	170	0	0	0	112.6	A140 A152 K154 E158 V159 E160	A140-L156 HydrophobicContact CB-CD2 4Å; A140-L156 HydrophobicContact CB-CG 4.12Å; A152-L156 VanDerWaalsContact O-CG 3.31Å; A152-L156 WeakPolarHBondContact O-CG 2.92Å; A152-L156 PolarHBondContact O-N 3.27Å; K154-L156 VanDerWaalsContact C-N 3.28Å; K154-L156 PolarHBondContact O-N 3.31Å; L156-E158 PolarHBondContact O-N 3.4Å; L156-V159 WeakPolarHBondContact O-CB 3.48Å; L156-V159 PolarHBondContact O-N 3.15Å; L156-E160 PolarHBondContact O-N 2.62Å
157	Q	87.9	Confident	87.3	Confident	99 Å²	99	85 Å²	85	46%	0.463	42%	0.416	S	S	.	.	H	α-helix	trans	-64.3	-26.3	171.9	-71.5	178.4	12.4	0	0	113	Q153 K154 K161	Q153-Q157 WeakPolarHBondContact O-CG 3.49Å; Q153-Q157 PolarHBondContact O-N 2.91Å; K154-Q157 WeakPolarHBondContact O-CB 3.48Å; K154-Q157 PolarHBondContact O-N 3.32Å; K154-Q157 VanDerWaalsContact O-N 3.15Å; Q157-K161 VanDerWaalsContact O-CD 3.31Å; Q157-K161 WeakPolarHBondContact O-CD 3.47Å; Q157-K161 VanDerWaalsContact O-CE 3.29Å; Q157-K161 WeakPolarHBondContact O-CE 3.43Å; Q157-K161 VanDerWaalsContact O-CG 3.25Å; Q157-K161 WeakPolarHBondContact O-CG 3.49Å; Q157-K161 PolarHBondContact O-N 2.79Å
158	E	88.2	Confident	87.3	Confident	100 Å²	100	87 Å²	87	47%	0.467	42%	0.415	S	S	.	.	H	α-helix	trans	-75.4	-42.2	171.1	-67.3	-175.4	160.9	0	0	111.5	K154 V155 L156 E160 K161 V162	K154-E158 PolarHBondContact O-N 3.42Å; V155-E158 WeakPolarHBondContact O-CB 3.4Å; V155-E158 PolarHBondContact O-N 2.87Å; V155-E158 VanDerWaalsContact O-N 3.12Å; L156-E158 PolarHBondContact O-N 3.4Å; E158-E160 PolarHBondContact O-N 2.91Å; E158-K161 PolarHBondContact O-N 3.44Å; E158-K161 VanDerWaalsContact O-N 3.08Å; E158-V162 WeakPolarHBondContact O-CG2 3.14Å; E158-V162 PolarHBondContact O-N 2.76Å
159	V	91.2	Very high	87.1	Confident	3 Å²	3	83.6 Å²	83.6	2%	0.018	40%	0.398	C	S	.	.	H	α-helix	trans	-55.4	-39.7	170.8	172.4	0	0	0	0	111.4	I133 L136 L137 V155 L156 V162 R163	I133-V159 HydrophobicContact CG2-CG1 4.36Å; L136-V159 HydrophobicContact CB-CG2 3.51Å; L136-V159 HydrophobicContact CD1-CG2 4.49Å; L137-V159 HydrophobicContact CD2-CG1 3.98Å; L137-V159 HydrophobicContact CD2-CG2 4.31Å; L137-V159 HydrophobicContact CG-CG1 4.15Å; L137-V159 HydrophobicContact CG-CG2 4.3Å; V155-V159 WeakPolarHBondContact O-CG2 3.27Å; V155-V159 PolarHBondContact O-N 3.4Å; L156-V159 WeakPolarHBondContact O-CB 3.48Å; L156-V159 PolarHBondContact O-N 3.15Å; V159-V162 PolarHBondContact O-N 2.83Å; V159-R163 HydrophobicContact CG1-CG 4.31Å; V159-R163 WeakPolarHBondContact O-CB 3.33Å; V159-R163 VanDerWaalsContact O-CG 3.31Å; V159-R163 WeakPolarHBondContact O-CG 3.31Å; V159-R163 PolarHBondContact O-N 2.8Å
160	E	88.4	Confident	87.2	Confident	128 Å²	128	81.8 Å²	81.8	60%	0.598	38%	0.383	S	S	*	.	H	α-helix	trans	-64.5	-41.9	175.4	-71.4	-169	142.4	0	0	112.8	L156 E158 V162 R163 T164	L156-E160 PolarHBondContact O-N 2.62Å; E158-E160 PolarHBondContact O-N 2.91Å; E160-V162 VanDerWaalsContact C-N 3.33Å; E160-V162 PolarHBondContact O-N 3.21Å; E160-R163 WeakPolarHBondContact O-CB 3.48Å; E160-R163 PolarHBondContact O-N 3.47Å; E160-T164 PolarHBondContact O-N 3.11Å
161	K	89.6	Confident	87	Confident	108 Å²	108	81.4 Å²	81.4	47%	0.47	38%	0.377	S	S	.	.	H	α-helix	trans	-66.5	-31	175.5	-65.3	159.7	-161.9	159.1	0	112.8	Q157 E158 T164 R165	Q157-K161 VanDerWaalsContact O-CD 3.31Å; Q157-K161 WeakPolarHBondContact O-CD 3.47Å; Q157-K161 VanDerWaalsContact O-CE 3.29Å; Q157-K161 WeakPolarHBondContact O-CE 3.43Å; Q157-K161 VanDerWaalsContact O-CG 3.25Å; Q157-K161 WeakPolarHBondContact O-CG 3.49Å; Q157-K161 PolarHBondContact O-N 2.79Å; E158-K161 PolarHBondContact O-N 3.44Å; E158-K161 VanDerWaalsContact O-N 3.08Å; K161-T164 PolarHBondContact O-OG1 3.14Å; K161-R165 WeakPolarHBondContact O-CD 3.39Å; K161-R165 VanDerWaalsContact O-CG 3.29Å; K161-R165 WeakPolarHBondContact O-CG 3.38Å; K161-R165 PolarHBondContact O-N 3.36Å
162	V	88.8	Confident	86.8	Confident	12 Å²	12	81.5 Å²	81.5	7%	0.073	38%	0.378	C	S	.	.	H	α-helix	trans	-78.2	-33.1	172.2	-172.8	0	0	0	0	110.6	L129 E132 I133 L136 E158 V159 E160 R165 K166	L129-V162 HydrophobicContact CD2-CG1 3.86Å; E132-V162 HydrophobicContact CB-CG1 4.38Å; I133-V162 HydrophobicContact CD1-CG1 4.08Å; I133-V162 HydrophobicContact CG1-CB 4.01Å; I133-V162 HydrophobicContact CG1-CG1 3.59Å; L136-V162 HydrophobicContact CD1-CG2 4.02Å; E158-V162 WeakPolarHBondContact O-CG2 3.14Å; E158-V162 PolarHBondContact O-N 2.76Å; V159-V162 PolarHBondContact O-N 2.83Å; E160-V162 VanDerWaalsContact C-N 3.33Å; E160-V162 PolarHBondContact O-N 3.21Å; V162-R165 PolarHBondContact O-N 3.35Å; V162-K166 WeakPolarHBondContact O-CB 3.29Å; V162-K166 PolarHBondContact O-N 2.84Å
163	R	88.2	Confident	86.3	Confident	133 Å²	133	84.2 Å²	84.2	50%	0.502	39%	0.386	S	S	.	.	H	α-helix	trans	-66.1	-34.8	173.3	-81.6	177.4	170.8	-167.8	-1.7	113.7	I133 V159 E160 K167	I133-R163 HydrophobicContact CD1-CG 3.88Å; I133-R163 HydrophobicContact CG1-CG 4.43Å; V159-R163 HydrophobicContact CG1-CG 4.31Å; V159-R163 WeakPolarHBondContact O-CB 3.33Å; V159-R163 VanDerWaalsContact O-CG 3.31Å; V159-R163 WeakPolarHBondContact O-CG 3.31Å; V159-R163 PolarHBondContact O-N 2.8Å; E160-R163 WeakPolarHBondContact O-CB 3.48Å; E160-R163 PolarHBondContact O-N 3.47Å; R163-K167 PolarHBondContact O-N 3.09Å; R163-K167 VanDerWaalsContact O-N 3.12Å
164	T	89.6	Confident	85.9	Confident	77 Å²	77	86.7 Å²	86.7	47%	0.472	39%	0.391	S	S	.	.	H	α-helix	trans	-66.5	-52.9	171	54.2	0	0	0	0	110.1	E160 K161 K166 K167 D168	E160-T164 PolarHBondContact O-N 3.11Å; K161-T164 PolarHBondContact O-OG1 3.14Å; T164-K166 PolarHBondContact O-N 3.46Å; T164-K166 VanDerWaalsContact O-N 3.11Å; T164-K167 WeakPolarHBondContact O-CA 3.43Å; T164-K167 WeakPolarHBondContact O-CB 3.36Å; T164-K167 PolarHBondContact O-N 2.79Å; T164-D168 PolarHBondContact O-N 2.82Å
165	R	87.8	Confident	85.5	Confident	156 Å²	156	86.3 Å²	86.3	59%	0.589	39%	0.394	S	S	*	.	H	α-helix	trans	-52.9	-36.2	174.9	-70.6	171	179.2	-179	0.1	113.2	K161 V162 D168 A169	K161-R165 WeakPolarHBondContact O-CD 3.39Å; K161-R165 VanDerWaalsContact O-CG 3.29Å; K161-R165 WeakPolarHBondContact O-CG 3.38Å; K161-R165 PolarHBondContact O-N 3.36Å; V162-R165 PolarHBondContact O-N 3.35Å; R165-D168 WeakPolarHBondContact CA-OD2 3.23Å; R165-A169 VanDerWaalsContact O-CB 3.31Å; R165-A169 WeakPolarHBondContact O-CB 3.28Å; R165-A169 PolarHBondContact O-N 3.38Å
166	K	87	Confident	84.7	Confident	42 Å²	42	86.4 Å²	86.4	18%	0.183	40%	0.396	C	S	.	.	H	α-helix	trans	-65	-46.3	173.5	-174	-164.7	151.4	174.4	0	111.6	L129 N130 I133 V162 T164 D168 A169 E170	L129-K166 HydrophobicContact CB-CB 4.39Å; L129-K166 HydrophobicContact CB-CG 4.47Å; N130-K166 WeakPolarHBondContact OD1-CE 3.39Å; N130-K166 PolarHBondContact OD1-NZ 3.29Å; I133-K166 HydrophobicContact CD1-CB 3.99Å; I133-K166 HydrophobicContact CD1-CD 3.77Å; I133-K166 HydrophobicContact CD1-CG 4.34Å; V162-K166 WeakPolarHBondContact O-CB 3.29Å; V162-K166 PolarHBondContact O-N 2.84Å; T164-K166 PolarHBondContact O-N 3.46Å; T164-K166 VanDerWaalsContact O-N 3.11Å; K166-D168 VanDerWaalsContact C-N 3.33Å; K166-A169 PolarHBondContact O-N 3.4Å; K166-E170 WeakPolarHBondContact CE-OE1 3.43Å; K166-E170 HydrophobicContact CG-CG 4.47Å; K166-E170 IonicContact NZ-OE1 3.03Å; K166-E170 PolarHBondContact NZ-OE1 2.75Å; K166-E170 WeakPolarHBondContact O-CB 3.39Å; K166-E170 WeakPolarHBondContact O-CG 3.3Å; K166-E170 PolarHBondContact O-N 2.88Å
167	K	86.9	Confident	83.7	Confident	141 Å²	141	86.6 Å²	86.6	61%	0.613	40%	0.396	S	S	*	.	H	α-helix	trans	-60.3	-45.2	175	-74.4	-179.7	176.3	-177.6	0	111.1	R163 T164 A169 E170 E171	R163-K167 PolarHBondContact O-N 3.09Å; R163-K167 VanDerWaalsContact O-N 3.12Å; T164-K167 WeakPolarHBondContact O-CA 3.43Å; T164-K167 WeakPolarHBondContact O-CB 3.36Å; T164-K167 PolarHBondContact O-N 2.79Å; K167-A169 VanDerWaalsContact C-N 3.29Å; K167-A169 PolarHBondContact O-N 3.21Å; K167-E170 PolarHBondContact O-N 3.07Å; K167-E171 WeakPolarHBondContact O-CB 3.39Å; K167-E171 PolarHBondContact O-N 3.35Å
168	D	87.2	Confident	82.4	Confident	90 Å²	90	84.7 Å²	84.7	48%	0.481	39%	0.392	S	S	.	.	H	α-helix	trans	-58.1	-44.2	177.2	-49.9	-30.1	0	0	0	110.1	T164 R165 K166 E171 E172	T164-D168 PolarHBondContact O-N 2.82Å; R165-D168 WeakPolarHBondContact CA-OD2 3.23Å; K166-D168 VanDerWaalsContact C-N 3.33Å; D168-E171 PolarHBondContact O-N 2.78Å; D168-E172 WeakPolarHBondContact O-CG 3.44Å; D168-E172 PolarHBondContact O-N 3.44Å
169	A	82.9	Confident	80.9	Confident	5 Å²	5	83.2 Å²	83.2	4%	0.041	40%	0.397	C	S	.	.	H	α-helix	trans	-70.1	-35.1	175.7	0	0	0	0	0	114.2	V126 L129 R165 K166 K167 E171 Y173	V126-A169 HydrophobicContact CG2-CB 3.89Å; L129-A169 HydrophobicContact CD1-CB 3.8Å; R165-A169 VanDerWaalsContact O-CB 3.31Å; R165-A169 WeakPolarHBondContact O-CB 3.28Å; R165-A169 PolarHBondContact O-N 3.38Å; K166-A169 PolarHBondContact O-N 3.4Å; K167-A169 VanDerWaalsContact C-N 3.29Å; K167-A169 PolarHBondContact O-N 3.21Å; A169-E171 VanDerWaalsContact C-N 3.27Å; A169-E171 PolarHBondContact O-N 3.34Å; A169-Y173 WeakPolarHBondContact O-CB 3.27Å; A169-Y173 PolarHBondContact O-N 3.38Å
170	E	82.8	Confident	79.5	Confident	61 Å²	61	86.8 Å²	86.8	29%	0.285	42%	0.422	S	S	.	.	H	α-helix	trans	-71.1	-22.5	173	-78.8	-178.1	159	0	0	112.5	V126 K166 K167 R174	V126-E170 HydrophobicContact CG1-CG 3.87Å; V126-E170 HydrophobicContact CG2-CG 4.21Å; K166-E170 WeakPolarHBondContact CE-OE1 3.43Å; K166-E170 HydrophobicContact CG-CG 4.47Å; K166-E170 IonicContact NZ-OE1 3.03Å; K166-E170 PolarHBondContact NZ-OE1 2.75Å; K166-E170 WeakPolarHBondContact O-CB 3.39Å; K166-E170 WeakPolarHBondContact O-CG 3.3Å; K166-E170 PolarHBondContact O-N 2.88Å; K167-E170 PolarHBondContact O-N 3.07Å; E170-R174 PolarHBondContact O-N 3.24Å; E170-R174 PolarHBondContact O-NE 2.64Å
171	E	83	Confident	78.1	Confident	111 Å²	111	81.7 Å²	81.7	52%	0.519	40%	0.401	S	S	.	.	H	α-helix	trans	-85.8	-42.5	172.8	-173.2	155.4	-167.2	0	0	111.2	K167 D168 A169 Y173 R174 N175	K167-E171 WeakPolarHBondContact O-CB 3.39Å; K167-E171 PolarHBondContact O-N 3.35Å; D168-E171 PolarHBondContact O-N 2.78Å; A169-E171 VanDerWaalsContact C-N 3.27Å; A169-E171 PolarHBondContact O-N 3.34Å; E171-Y173 VanDerWaalsContact C-N 3.28Å; E171-Y173 PolarHBondContact O-N 3.35Å; E171-R174 PolarHBondContact O-N 3.39Å; E171-N175 WeakPolarHBondContact CG-ND2 3.3Å; E171-N175 VanDerWaalsContact O-CB 3.23Å; E171-N175 WeakPolarHBondContact O-CB 3.35Å; E171-N175 PolarHBondContact O-N 2.89Å; E171-N175 PolarHBondContact O-ND2 3.19Å
172	E	79.6	Confident	76.8	Confident	102 Å²	102	81.5 Å²	81.5	48%	0.477	40%	0.4	S	S	.	.	H	α-helix	trans	-53	-46.2	164.7	-77.4	-176.2	162.1	0	0	111	K125 D168 N175 S176	K125-E172 IonicContact NZ-OE2 2.74Å; K125-E172 PolarHBondContact NZ-OE2 2.9Å; D168-E172 WeakPolarHBondContact O-CG 3.44Å; D168-E172 PolarHBondContact O-N 3.44Å; E172-N175 PolarHBondContact O-N 3.21Å; E172-S176 WeakPolarHBondContact O-CB 3.25Å; E172-S176 PolarHBondContact O-N 3.47Å; E172-S176 PolarHBondContact O-OG 3.29Å
173	Y	76.3	Confident	75.3	Confident	67 Å²	67	87.2 Å²	87.2	26%	0.263	43%	0.426	S	S	.	.	H	α-helix	trans	-61	-51.5	178.4	178	-108	0	0	0	111.7	V119 K122 A123 A169 E171 N175 S176 M177	V119-Y173 HydrophobicContact CG1-CE2 3.89Å; K122-Y173 HydrophobicContact CB-CD2 3.9Å; A123-Y173 HydrophobicContact CB-CD2 4.47Å; A123-Y173 HydrophobicContact CB-CE2 3.82Å; A169-Y173 WeakPolarHBondContact O-CB 3.27Å; A169-Y173 PolarHBondContact O-N 3.38Å; E171-Y173 VanDerWaalsContact C-N 3.28Å; E171-Y173 PolarHBondContact O-N 3.35Å; Y173-N175 PolarHBondContact O-N 3Å; Y173-S176 WeakPolarHBondContact CA-OG 3.48Å; Y173-S176 CarbonylContact O-C 3.57Å; Y173-S176 PolarHBondContact O-N 3.38Å; Y173-S176 PolarHBondContact O-OG 3.11Å; Y173-M177 HydrophobicContact CE1-CE 4.25Å; Y173-M177 HydrophobicContact CE2-CE 4.19Å; Y173-M177 PolarHBondContact O-N 3.27Å; Y173-M177 VanDerWaalsContact O-N 3.1Å; Y173-M177 WeakPolarHBondContact OH-CE 3.5Å
174	R	77.4	Confident	74.1	Confident	161 Å²	161	86 Å²	86	61%	0.608	43%	0.426	S	S	*	.	H	α-helix	trans	-62	-42	176.8	-86.2	178.3	-75.5	176	-4.2	112.9	E170 E171 S176 M177	E170-R174 PolarHBondContact O-N 3.24Å; E170-R174 PolarHBondContact O-NE 2.64Å; E171-R174 PolarHBondContact O-N 3.39Å; R174-S176 VanDerWaalsContact C-N 3.27Å; R174-S176 PolarHBondContact O-N 2.89Å; R174-M177 CarbonylContact O-C 3.6Å; R174-M177 PolarHBondContact O-N 3.37Å
175	N	79.5	Confident	72.7	Confident	111 Å²	111	85 Å²	85	59%	0.594	42%	0.416	S	S	*	.	H	α-helix	trans	-70.4	-24.2	177.5	-68	-26.8	0	0	0	112.3	E171 E172 Y173 M177 P178	E171-N175 WeakPolarHBondContact CG-ND2 3.3Å; E171-N175 VanDerWaalsContact O-CB 3.23Å; E171-N175 WeakPolarHBondContact O-CB 3.35Å; E171-N175 PolarHBondContact O-N 2.89Å; E171-N175 PolarHBondContact O-ND2 3.19Å; E172-N175 PolarHBondContact O-N 3.21Å; Y173-N175 PolarHBondContact O-N 3Å; N175-M177 VanDerWaalsContact C-N 3.31Å; N175-P178 WeakPolarHBondContact O-CD 3.35Å
176	S	69.8	Low	71.8	Confident	25 Å²	25	80.1 Å²	80.1	18%	0.175	40%	0.399	C	S	.	.	H	α-helix	trans	-82	-5.1	169.2	78.2	0	0	0	0	114.6	K122 E172 Y173 R174 P178	K122-S176 VanDerWaalsContact CD-OG 3.25Å; K122-S176 WeakPolarHBondContact CD-OG 3.44Å; E172-S176 WeakPolarHBondContact O-CB 3.25Å; E172-S176 PolarHBondContact O-N 3.47Å; E172-S176 PolarHBondContact O-OG 3.29Å; Y173-S176 WeakPolarHBondContact CA-OG 3.48Å; Y173-S176 CarbonylContact O-C 3.57Å; Y173-S176 PolarHBondContact O-N 3.38Å; Y173-S176 PolarHBondContact O-OG 3.11Å; R174-S176 VanDerWaalsContact C-N 3.27Å; R174-S176 PolarHBondContact O-N 2.89Å; S176-P178 WeakPolarHBondContact O-CD 3.29Å
177	M	65.8	Low	71.5	Confident	86 Å²	86	80.9 Å²	80.9	42%	0.424	41%	0.405	S	S	.	.	S	Bend	trans	-107.9	54.2	170.9	-165.4	172.2	-75	0	0	113	V119 Y173 R174 N175	V119-M177 HydrophobicContact CG1-CE 3.6Å; V119-M177 HydrophobicContact CG2-CE 4.48Å; Y173-M177 HydrophobicContact CE1-CE 4.25Å; Y173-M177 HydrophobicContact CE2-CE 4.19Å; Y173-M177 PolarHBondContact O-N 3.27Å; Y173-M177 VanDerWaalsContact O-N 3.1Å; Y173-M177 WeakPolarHBondContact OH-CE 3.5Å; R174-M177 CarbonylContact O-C 3.6Å; R174-M177 PolarHBondContact O-N 3.37Å; N175-M177 VanDerWaalsContact C-N 3.31Å
178	P	59.4	Low	71.4	Confident	59 Å²	59	80.7 Å²	80.7	38%	0.383	40%	0.4	S	S	.	.			trans	-57.9	143.2	170.6	-21.3	31.7	0	0	0	111.9	N175 S176 S180 S181 F182	N175-P178 WeakPolarHBondContact O-CD 3.35Å; S176-P178 WeakPolarHBondContact O-CD 3.29Å; P178-S180 PolarHBondContact O-N 3.08Å; P178-S181 PolarHBondContact O-N 3.47Å; P178-S181 VanDerWaalsContact O-N 3.11Å; P178-S181 PolarHBondContact O-OG 3.29Å; P178-F182 PolarHBondContact O-N 2.94Å
179	A	57.9	Low	71.4	Confident	69 Å²	69	76.6 Å²	76.6	57%	0.57	38%	0.379	S	S	*	.	H	α-helix	trans	-54.2	-26.7	170.8	0	0	0	0	0	112.7	Q183	A179-Q183 VanDerWaalsContact O-CG 3.28Å; A179-Q183 WeakPolarHBondContact O-CG 3.45Å; A179-Q183 PolarHBondContact O-N 3.42Å
180	S	60.5	Low	71.6	Confident	78 Å²	78	77 Å²	77	55%	0.545	38%	0.381	S	S	.	.	H	α-helix	trans	-69.3	-36	178.6	-46.1	0	0	0	0	114.4	P178 Q183 Q184	P178-S180 PolarHBondContact O-N 3.08Å; S180-Q183 PolarHBondContact O-N 3.49Å; S180-Q184 PolarHBondContact O-N 2.66Å
181	S	60.8	Low	71.6	Confident	22 Å²	22	78.2 Å²	78.2	15%	0.154	39%	0.387	C	S	.	.	H	α-helix	trans	-76.3	-38	175.2	57.5	0	0	0	0	110.6	P178 Q183 Q184 Q185	P178-S181 PolarHBondContact O-N 3.47Å; P178-S181 VanDerWaalsContact O-N 3.11Å; P178-S181 PolarHBondContact O-OG 3.29Å; S181-Q183 PolarHBondContact O-N 3.32Å; S181-Q184 WeakPolarHBondContact O-CB 3.42Å; S181-Q184 PolarHBondContact O-N 2.8Å; S181-Q185 PolarHBondContact O-N 2.75Å
182	F	61.8	Low	71.7	Confident	104 Å²	104	74.3 Å²	74.3	46%	0.456	37%	0.37	S	S	.	.	H	α-helix	trans	-61.1	-28.7	171.3	-171.1	-126.7	0	0	0	113.1	P178 K186	P178-F182 PolarHBondContact O-N 2.94Å; F182-K186 VanDerWaalsContact CE1-CE 3.45Å; F182-K186 VanDerWaalsContact CZ-NZ 3.35Å; F182-K186 WeakPolarHBondContact O-CG 3.46Å; F182-K186 PolarHBondContact O-N 3.15Å
183	Q	58.1	Low	71.6	Confident	132 Å²	132	69.7 Å²	69.7	62%	0.617	35%	0.349	S	S	*	.	H	α-helix	trans	-69.8	-37.9	170.3	-78.9	169.4	-5.1	0	0	112.7	A179 S180 S181 K186	A179-Q183 VanDerWaalsContact O-CG 3.28Å; A179-Q183 WeakPolarHBondContact O-CG 3.45Å; A179-Q183 PolarHBondContact O-N 3.42Å; S180-Q183 PolarHBondContact O-N 3.49Å; S181-Q183 PolarHBondContact O-N 3.32Å; Q183-K186 PolarHBondContact O-N 2.94Å
184	Q	60.9	Low	71.9	Confident	108 Å²	108	67.4 Å²	67.4	51%	0.505	34%	0.343	S	S	.	.	H	α-helix	trans	-68.9	-39.1	176.1	-66.8	177.7	-3.4	0	0	111.9	S180 S181 K186 L187	S180-Q184 PolarHBondContact O-N 2.66Å; S181-Q184 WeakPolarHBondContact O-CB 3.42Å; S181-Q184 PolarHBondContact O-N 2.8Å; Q184-K186 PolarHBondContact O-N 3.11Å; Q184-K186 VanDerWaalsContact O-N 3.13Å; Q184-L187 PolarHBondContact O-N 2.96Å; Q184-L187 VanDerWaalsContact O-N 3.16Å
185	Q	60.6	Low	72.2	Confident	56 Å²	56	61.4 Å²	61.4	26%	0.262	33%	0.327	S	S	.	.	H	α-helix	trans	-58.9	-21.8	171.6	-71.6	-179.4	-28.6	0	0	113.6	Q112 I115 S181	Q112-Q185 HydrophobicContact CG-CG 4.47Å; Q112-Q185 PolarHBondContact NE2-O 3.08Å; I115-Q185 HydrophobicContact CG2-CG 4.37Å; S181-Q185 PolarHBondContact O-N 2.75Å
186	K	69.4	Low	72.4	Confident	52 Å²	52	61.8 Å²	61.8	23%	0.226	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	9.7	179.7	-71.4	-179.9	-179.3	-163.8	0	114.4	F182 Q183 Q184 L199 H200	F182-K186 VanDerWaalsContact CE1-CE 3.45Å; F182-K186 VanDerWaalsContact CZ-NZ 3.35Å; F182-K186 WeakPolarHBondContact O-CG 3.46Å; F182-K186 PolarHBondContact O-N 3.15Å; Q183-K186 PolarHBondContact O-N 2.94Å; Q184-K186 PolarHBondContact O-N 3.11Å; Q184-K186 VanDerWaalsContact O-N 3.13Å; K186-L199 WeakPolarHBondContact O-CB 3.45Å; K186-L199 WeakPolarHBondContact O-CG 3.48Å; K186-L199 PolarHBondContact O-N 3Å; K186-H200 PolarHBondContact NZ-NE2 2.83Å
187	L	81.6	Confident	73.2	Confident	58 Å²	58	61.8 Å²	61.8	30%	0.304	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	138.8	175.1	-63.4	174.7	0	0	0	112	L108 Q112 Q184 L197	L108-L187 HydrophobicContact CD1-CB 4.23Å; L108-L187 WeakPolarHBondContact CD1-O 3.48Å; L108-L187 HydrophobicContact CD2-CB 4.45Å; Q112-L187 PolarHBondContact NE2-O 3.11Å; Q184-L187 PolarHBondContact O-N 2.96Å; Q184-L187 VanDerWaalsContact O-N 3.16Å; L187-L197 CarbonylContact C-O 3.58Å; L187-L197 WeakPolarHBondContact CA-O 3.43Å
188	R	83.5	Confident	74	Confident	138 Å²	138	58.5 Å²	58.5	52%	0.521	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	142.3	169.7	175.6	178.7	174.3	-172.9	0.2	109.6	E191 Y196 L197 L199	R188-E191 IonicContact NH2-OE2 2.75Å; R188-E191 PolarHBondContact NH2-OE2 3.13Å; R188-Y196 WeakPolarHBondContact O-CA 3.37Å; R188-L197 PolarHBondContact N-O 2.99Å; R188-L197 PolarHBondContact O-N 2.94Å; R188-L199 HydrophobicContact CB-CD2 4.31Å; R188-L199 HydrophobicContact CB-CG 4.36Å
189	V	87	Confident	74.9	Confident	4 Å²	4	60.8 Å²	60.8	2%	0.024	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	128.6	168.7	178.6	0	0	0	0	110.7	T101 A104 K105 L108 A195 Y196	T101-V189 HydrophobicContact CG2-CG1 3.85Å; A104-V189 HydrophobicContact CB-CG1 4.29Å; A104-V189 HydrophobicContact CB-CG2 3.79Å; K105-V189 HydrophobicContact CG-CB 4Å; K105-V189 HydrophobicContact CG-CG1 4.48Å; K105-V189 HydrophobicContact CG-CG2 4.24Å; L108-V189 HydrophobicContact CD1-CG2 3.82Å; L108-V189 HydrophobicContact CG-CG2 4.37Å; V189-A195 CarbonylContact C-O 3.6Å; V189-A195 WeakPolarHBondContact CA-O 3.24Å; V189-Y196 HydrophobicContact CG2-CD1 3.65Å; V189-Y196 HydrophobicContact CG2-CE1 3.55Å
190	C	87.3	Confident	75.6	Confident	12 Å²	12	63.9 Å²	63.9	8%	0.081	32%	0.318	C	S	.	.			trans	-70.4	124.9	168.1	171.7	0	0	0	0	111	V192 C193 S194 A195 L197 H209	C190-V192 PolarHBondContact O-N 3.32Å; C190-V192 VanDerWaalsContact O-N 3.13Å; C190-C193 HydrophobicContact CB-CB 4.33Å; C190-C193 PolarHBondContact O-N 3.21Å; C190-S194 WeakPolarHBondContact O-CA 3.03Å; C190-S194 PolarHBondContact O-N 3.06Å; C190-A195 PolarHBondContact N-O 2.87Å; C190-L197 HydrophobicContact CB-CD1 3.65Å; C190-L197 HydrophobicContact CB-CD2 4.21Å; C190-H209 PolarHBondContact SG-NE2 2.99Å
191	E	83.1	Confident	76.6	Confident	88 Å²	88	62.2 Å²	62.2	41%	0.411	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	5.6	-170.1	-52.9	-178.6	112.9	0	0	113.8	K105 R188 R222	K105-E191 IonicContact NZ-OE1 2.67Å; K105-E191 PolarHBondContact NZ-OE1 3.23Å; R188-E191 IonicContact NH2-OE2 2.75Å; R188-E191 PolarHBondContact NH2-OE2 3.13Å; E191-R222 PolarHBondContact O-NH1 2.8Å; E191-R222 PolarHBondContact O-NH2 2.97Å
192	V	84.7	Confident	77.6	Confident	28 Å²	28	67.4 Å²	67.4	17%	0.17	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.7	-44	177.4	177.3	0	0	0	0	110.1	C190 H215 F218 I219	C190-V192 PolarHBondContact O-N 3.32Å; C190-V192 VanDerWaalsContact O-N 3.13Å; V192-H215 VanDerWaalsContact CB-CE1 3.42Å; V192-H215 WeakPolarHBondContact CB-CE1 3.33Å; V192-F218 HydrophobicContact CG1-CB 3.46Å; V192-F218 VanDerWaalsContact CG1-CB 3.46Å; V192-F218 HydrophobicContact CG1-CG 4.46Å; V192-F218 VanDerWaalsContact O-CD2 3.3Å; V192-F218 WeakPolarHBondContact O-CD2 3.4Å; V192-F218 WeakPolarHBondContact O-CG 3.39Å; V192-I219 HydrophobicContact CG1-CG1 4.29Å
193	C	78.4	Confident	78.7	Confident	6 Å²	6	69 Å²	69	4%	0.041	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-11.2	-173.6	-65.9	0	0	0	0	115.1	C190 A195 H209 H215	C190-C193 HydrophobicContact CB-CB 4.33Å; C190-C193 PolarHBondContact O-N 3.21Å; C193-A195 HydrophobicContact CB-CB 4Å; C193-A195 PolarHBondContact O-N 3.19Å; C193-A195 VanDerWaalsContact O-N 3.07Å; C193-H209 PolarHBondContact SG-NE2 3.34Å; C193-H209 VanDerWaalsContact SG-NE2 3.39Å; C193-H215 WeakPolarHBondContact SG-CA 3.47Å; C193-H215 WeakPolarHBondContact SG-CB 3.42Å; C193-H215 PolarHBondContact SG-ND1 3.13Å
194	S	81.8	Confident	80	Confident	19 Å²	19	72.5 Å²	72.5	13%	0.133	35%	0.35	C	S	.	.			trans	56.8	10.4	-164.4	75.6	0	0	0	0	115.4	T101 C190	T101-S194 WeakPolarHBondContact OG1-CB 3.25Å; C190-S194 WeakPolarHBondContact O-CA 3.03Å; C190-S194 PolarHBondContact O-N 3.06Å
195	A	84.3	Confident	81.1	Confident	34 Å²	34	75 Å²	75	28%	0.281	36%	0.355	S	S	.	.			trans	-84.5	151.3	-177.8	0	0	0	0	0	112.4	V189 C190 C193 L197	V189-A195 CarbonylContact C-O 3.6Å; V189-A195 WeakPolarHBondContact CA-O 3.24Å; C190-A195 PolarHBondContact N-O 2.87Å; C193-A195 HydrophobicContact CB-CB 4Å; C193-A195 PolarHBondContact O-N 3.19Å; C193-A195 VanDerWaalsContact O-N 3.07Å; A195-L197 HydrophobicContact CB-CD1 4.24Å; A195-L197 WeakPolarHBondContact O-CD1 3.38Å
196	Y	84.8	Confident	82.2	Confident	120 Å²	120	74.2 Å²	74.2	47%	0.471	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	129.5	173	-53.8	-60.6	0	0	0	111.2	A104 L108 R188 V189	A104-Y196 HydrophobicContact CB-CE1 4.19Å; L108-Y196 HydrophobicContact CD1-CD1 3.89Å; L108-Y196 HydrophobicContact CD1-CE1 3.98Å; L108-Y196 HydrophobicContact CD2-CD1 4.21Å; L108-Y196 HydrophobicContact CD2-CE1 3.93Å; L108-Y196 HydrophobicContact CG-CD1 4.19Å; L108-Y196 HydrophobicContact CG-CE1 3.81Å; R188-Y196 WeakPolarHBondContact O-CA 3.37Å; V189-Y196 HydrophobicContact CG2-CD1 3.65Å; V189-Y196 HydrophobicContact CG2-CE1 3.55Å
197	L	85.3	Confident	83	Confident	25 Å²	25	74.4 Å²	74.4	13%	0.131	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	143.7	176.2	-78.3	58.2	0	0	0	108.5	L187 R188 C190 A195 L206 F210	L187-L197 CarbonylContact C-O 3.58Å; L187-L197 WeakPolarHBondContact CA-O 3.43Å; R188-L197 PolarHBondContact N-O 2.99Å; R188-L197 PolarHBondContact O-N 2.94Å; C190-L197 HydrophobicContact CB-CD1 3.65Å; C190-L197 HydrophobicContact CB-CD2 4.21Å; A195-L197 HydrophobicContact CB-CD1 4.24Å; A195-L197 WeakPolarHBondContact O-CD1 3.38Å; L197-L206 HydrophobicContact CD2-CD2 3.97Å; L197-L206 HydrophobicContact CG-CD2 4.41Å; L197-F210 HydrophobicContact CD2-CZ 4.48Å
198	G	83.3	Confident	83.3	Confident	16 Å²	16	77 Å²	77	17%	0.165	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	134.9	170.5	0	0	0	0	0	111.8	H200 D201	G198-H200 PolarHBondContact O-N 2.84Å; G198-H200 VanDerWaalsContact O-N 3.08Å; G198-D201 WeakPolarHBondContact CA-OD2 3.26Å; G198-D201 PolarHBondContact N-OD2 2.91Å; G198-D201 WeakPolarHBondContact O-CB 3.3Å; G198-D201 PolarHBondContact O-N 3.01Å; G198-D201 VanDerWaalsContact O-N 3.11Å
199	L	78.4	Confident	83.5	Confident	107 Å²	107	72.5 Å²	72.5	56%	0.56	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-8.2	171.6	-77.1	166.8	0	0	0	113.7	K186 R188	K186-L199 WeakPolarHBondContact O-CB 3.45Å; K186-L199 WeakPolarHBondContact O-CG 3.48Å; K186-L199 PolarHBondContact O-N 3Å; R188-L199 HydrophobicContact CB-CD2 4.31Å; R188-L199 HydrophobicContact CB-CG 4.36Å
200	H	73.2	Confident	83.5	Confident	135 Å²	135	76.6 Å²	76.6	63%	0.625	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.1	16.5	178	-59.6	18.1	0	0	0	111.1	K186 G198	K186-H200 PolarHBondContact NZ-NE2 2.83Å; G198-H200 PolarHBondContact O-N 2.84Å; G198-H200 VanDerWaalsContact O-N 3.08Å
201	D	81	Confident	83.5	Confident	42 Å²	42	78.4 Å²	78.4	23%	0.225	40%	0.401	C	S	.	.			trans	-69.2	132.7	170.9	-88	-47.3	0	0	0	110.1	G198 R205 L206	G198-D201 WeakPolarHBondContact CA-OD2 3.26Å; G198-D201 PolarHBondContact N-OD2 2.91Å; G198-D201 WeakPolarHBondContact O-CB 3.3Å; G198-D201 PolarHBondContact O-N 3.01Å; G198-D201 VanDerWaalsContact O-N 3.11Å; D201-R205 WeakPolarHBondContact OD1-CD 3.36Å; D201-R205 IonicContact OD1-CZ 2.69Å; D201-R205 IonicContact OD1-NE 2.64Å; D201-R205 IonicContact OD1-NH1 3.99Å; D201-R205 PolarHBondContact OD1-NH1 3.31Å; D201-R205 IonicContact OD2-NH1 2.71Å; D201-L206 HydrophobicContact CB-CD2 4.15Å; D201-L206 HydrophobicContact CB-CG 4.46Å
202	N	82.3	Confident	83.7	Confident	132 Å²	132	75.4 Å²	75.4	71%	0.706	39%	0.393	S	S	*	.			trans	-56.3	143.6	179.4	-65	-73.8	0	0	0	111.6	R204 R205 L206	N202-R204 PolarHBondContact O-N 2.87Å; N202-R205 WeakPolarHBondContact O-CA 3.16Å; N202-R205 WeakPolarHBondContact O-CB 3.38Å; N202-R205 PolarHBondContact O-N 3.49Å; N202-L206 PolarHBondContact O-N 2.85Å
203	D	84.4	Confident	83.8	Confident	137 Å²	137	81.4 Å²	81.4	73%	0.733	42%	0.417	S	S	*	.	H	α-helix	trans	-51.9	-31.3	-178	-65	-41.1	0	0	0	113.9	L206 A207	D203-L206 PolarHBondContact O-N 3.04Å; D203-A207 WeakPolarHBondContact O-CB 3.46Å; D203-A207 PolarHBondContact O-N 3.38Å
204	R	85.6	Confident	84.1	Confident	206 Å²	206	83.2 Å²	83.2	78%	0.777	43%	0.426	S	S	*	.	H	α-helix	trans	-61.1	-42.6	173.6	-173.2	172.9	-177.6	143	2.6	112.7	N202 L206 A207 D208	N202-R204 PolarHBondContact O-N 2.87Å; R204-L206 VanDerWaalsContact C-N 3.35Å; R204-A207 WeakPolarHBondContact O-CB 3.46Å; R204-A207 PolarHBondContact O-N 3.5Å; R204-D208 VanDerWaalsContact O-CG 3.27Å; R204-D208 PolarHBondContact O-N 3.44Å
205	R	83.3	Confident	84.4	Confident	160 Å²	160	83.2 Å²	83.2	60%	0.604	42%	0.424	S	S	*	.	H	α-helix	trans	-71.3	-32.6	177	-163.1	-169.4	-169	178.6	3.1	111.4	D201 N202 D208 H209	D201-R205 WeakPolarHBondContact OD1-CD 3.36Å; D201-R205 IonicContact OD1-CZ 2.69Å; D201-R205 IonicContact OD1-NE 2.64Å; D201-R205 IonicContact OD1-NH1 3.99Å; D201-R205 PolarHBondContact OD1-NH1 3.31Å; D201-R205 IonicContact OD2-NH1 2.71Å; N202-R205 WeakPolarHBondContact O-CA 3.16Å; N202-R205 WeakPolarHBondContact O-CB 3.38Å; N202-R205 PolarHBondContact O-N 3.49Å; R205-D208 PolarHBondContact O-N 2.82Å; R205-H209 PolarHBondContact O-N 3.38Å; R205-H209 VanDerWaalsContact O-N 3.08Å
206	L	84.1	Confident	84.6	Confident	39 Å²	39	85.3 Å²	85.3	20%	0.204	43%	0.43	C	S	.	.	H	α-helix	trans	-66.5	-42.3	171.3	-60.8	178.6	0	0	0	110.7	L197 D201 N202 D203 R204 D208 H209 F210	L197-L206 HydrophobicContact CD2-CD2 3.97Å; L197-L206 HydrophobicContact CG-CD2 4.41Å; D201-L206 HydrophobicContact CB-CD2 4.15Å; D201-L206 HydrophobicContact CB-CG 4.46Å; N202-L206 PolarHBondContact O-N 2.85Å; D203-L206 PolarHBondContact O-N 3.04Å; R204-L206 VanDerWaalsContact C-N 3.35Å; L206-D208 PolarHBondContact O-N 3.46Å; L206-H209 WeakPolarHBondContact O-CB 3.43Å; L206-H209 PolarHBondContact O-N 3.01Å; L206-H209 VanDerWaalsContact O-N 3.11Å; L206-F210 HydrophobicContact CB-CD2 4.3Å; L206-F210 HydrophobicContact CB-CE2 3.93Å; L206-F210 WeakPolarHBondContact O-CD2 3.34Å; L206-F210 WeakPolarHBondContact O-CG 3.24Å; L206-F210 PolarHBondContact O-N 3.04Å
207	A	86.3	Confident	84.8	Confident	56 Å²	56	79.7 Å²	79.7	46%	0.463	41%	0.409	S	S	.	.	H	α-helix	trans	-61.7	-41.1	173	0	0	0	0	0	112.3	D203 R204 H209 F210 G211	D203-A207 WeakPolarHBondContact O-CB 3.46Å; D203-A207 PolarHBondContact O-N 3.38Å; R204-A207 WeakPolarHBondContact O-CB 3.46Å; R204-A207 PolarHBondContact O-N 3.5Å; A207-H209 VanDerWaalsContact C-N 3.26Å; A207-H209 PolarHBondContact O-N 2.64Å; A207-F210 PolarHBondContact O-N 2.87Å; A207-G211 PolarHBondContact O-N 3.32Å
208	D	88.2	Confident	84.9	Confident	113 Å²	113	78.8 Å²	78.8	60%	0.604	40%	0.404	S	S	*	.	H	α-helix	trans	-62.3	-32.3	173.1	-65	-34.1	0	0	0	112.2	R204 R205 L206 G212	R204-D208 VanDerWaalsContact O-CG 3.27Å; R204-D208 PolarHBondContact O-N 3.44Å; R205-D208 PolarHBondContact O-N 2.82Å; L206-D208 PolarHBondContact O-N 3.46Å; D208-G212 PolarHBondContact O-N 2.92Å
209	H	86.8	Confident	85.2	Confident	43 Å²	43	80.8 Å²	80.8	20%	0.199	41%	0.41	C	S	.	.	H	α-helix	trans	-71.1	-48.5	172	-179.8	76.2	0	0	0	112.4	C190 C193 R205 L206 A207 G212 H215	C190-H209 PolarHBondContact SG-NE2 2.99Å; C193-H209 PolarHBondContact SG-NE2 3.34Å; C193-H209 VanDerWaalsContact SG-NE2 3.39Å; R205-H209 PolarHBondContact O-N 3.38Å; R205-H209 VanDerWaalsContact O-N 3.08Å; L206-H209 WeakPolarHBondContact O-CB 3.43Å; L206-H209 PolarHBondContact O-N 3.01Å; L206-H209 VanDerWaalsContact O-N 3.11Å; A207-H209 VanDerWaalsContact C-N 3.26Å; A207-H209 PolarHBondContact O-N 2.64Å; H209-G212 PolarHBondContact O-N 3.48Å; H209-G212 VanDerWaalsContact O-N 3.16Å; H209-H215 AromaticContact NE2-ND1 3.8Å; H209-H215 WeakPolarHBondContact O-CB 3.26Å
210	F	86.9	Confident	85.7	Confident	91 Å²	91	80.5 Å²	80.5	40%	0.399	41%	0.406	S	S	.	.	H	α-helix	trans	-72	-31.8	-176.1	-62.6	-47.4	0	0	0	113.2	L197 L206 A207 G212 H215	L197-F210 HydrophobicContact CD2-CZ 4.48Å; L206-F210 HydrophobicContact CB-CD2 4.3Å; L206-F210 HydrophobicContact CB-CE2 3.93Å; L206-F210 WeakPolarHBondContact O-CD2 3.34Å; L206-F210 WeakPolarHBondContact O-CG 3.24Å; L206-F210 PolarHBondContact O-N 3.04Å; A207-F210 PolarHBondContact O-N 2.87Å; F210-G212 VanDerWaalsContact C-N 3.28Å; F210-H215 AromaticContact CD1-CD2 3.87Å; F210-H215 AromaticContact CD1-CE1 3.46Å; F210-H215 VanDerWaalsContact CD1-CE1 3.46Å; F210-H215 WeakPolarHBondContact CD1-CE1 3.4Å; F210-H215 AromaticContact CD1-ND1 3.82Å; F210-H215 AromaticContact CD1-NE2 3.48Å; F210-H215 WeakPolarHBondContact CD1-NE2 3.29Å; F210-H215 AromaticContact CE1-CE1 3.81Å
211	G	87.4	Confident	86.4	Confident	50 Å²	50	74 Å²	74	52%	0.515	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-6.1	169.9	0	0	0	0	0	114	A207 L216	A207-G211 PolarHBondContact O-N 3.32Å; G211-L216 WeakPolarHBondContact O-CD1 3.38Å
212	G	87.8	Confident	86.8	Confident	25 Å²	25	75.4 Å²	75.4	26%	0.258	38%	0.378	S	S	.	.	S	Bend	trans	-67	141.6	177.1	0	0	0	0	0	112.3	D208 H209 F210 L214 H215 L216	D208-G212 PolarHBondContact O-N 2.92Å; H209-G212 PolarHBondContact O-N 3.48Å; H209-G212 VanDerWaalsContact O-N 3.16Å; F210-G212 VanDerWaalsContact C-N 3.28Å; G212-L214 PolarHBondContact O-N 2.86Å; G212-H215 PolarHBondContact O-N 2.83Å; G212-L216 PolarHBondContact O-N 3.02Å
213	K	85.8	Confident	87.2	Confident	153 Å²	153	74.1 Å²	74.1	67%	0.665	37%	0.368	S	S	*	.	H	α-helix	trans	-48.5	-37.6	-179.8	-70.3	-172.8	176.7	-174.6	0	113.9	T52 G217	T52-K213 HydrophobicContact CG2-CB 4.33Å; K213-G217 WeakPolarHBondContact O-CA 3.16Å; K213-G217 PolarHBondContact O-N 3.32Å
214	L	86.2	Confident	87.3	Confident	45 Å²	45	71.2 Å²	71.2	24%	0.236	35%	0.349	C	S	.	.	H	α-helix	trans	-56.4	-52.1	174.5	-79.9	167.3	0	0	0	112.1	L49 T52 R53 M54 G212 G217 F218	L49-L214 HydrophobicContact CD2-CD2 4.42Å; T52-L214 HydrophobicContact CG2-CD2 4.04Å; T52-L214 HydrophobicContact CG2-CG 4.07Å; T52-L214 WeakPolarHBondContact OG1-CD2 3.25Å; R53-L214 HydrophobicContact CB-CD1 4.34Å; M54-L214 HydrophobicContact CB-CD2 3.86Å; M54-L214 HydrophobicContact CG-CD2 3.88Å; G212-L214 PolarHBondContact O-N 2.86Å; L214-G217 PolarHBondContact O-N 2.89Å; L214-F218 HydrophobicContact CD2-CE2 4.25Å; L214-F218 WeakPolarHBondContact O-CD2 3.37Å; L214-F218 PolarHBondContact O-N 2.9Å
215	H	87.6	Confident	87.4	Confident	18 Å²	18	62.1 Å²	62.1	8%	0.083	32%	0.315	C	S	.	.	H	α-helix	trans	-68.9	-46.9	-174	-162.8	85.3	0	0	0	111.1	V192 C193 H209 F210 G212 G217 F218 I219	V192-H215 VanDerWaalsContact CB-CE1 3.42Å; V192-H215 WeakPolarHBondContact CB-CE1 3.33Å; C193-H215 WeakPolarHBondContact SG-CA 3.47Å; C193-H215 WeakPolarHBondContact SG-CB 3.42Å; C193-H215 PolarHBondContact SG-ND1 3.13Å; H209-H215 AromaticContact NE2-ND1 3.8Å; H209-H215 WeakPolarHBondContact O-CB 3.26Å; F210-H215 AromaticContact CD1-CD2 3.87Å; F210-H215 AromaticContact CD1-CE1 3.46Å; F210-H215 VanDerWaalsContact CD1-CE1 3.46Å; F210-H215 WeakPolarHBondContact CD1-CE1 3.4Å; F210-H215 AromaticContact CD1-ND1 3.82Å; F210-H215 AromaticContact CD1-NE2 3.48Å; F210-H215 WeakPolarHBondContact CD1-NE2 3.29Å; F210-H215 AromaticContact CE1-CE1 3.81Å; G212-H215 PolarHBondContact O-N 2.83Å; H215-G217 VanDerWaalsContact C-N 3.33Å; H215-G217 PolarHBondContact O-N 3.35Å; H215-F218 PolarHBondContact O-N 3.42Å; H215-I219 VanDerWaalsContact CD2-CD1 3.45Å; H215-I219 WeakPolarHBondContact CD2-CD1 3.31Å; H215-I219 WeakPolarHBondContact O-CG1 3.22Å; H215-I219 PolarHBondContact O-N 2.95Å
216	L	88.5	Confident	87.6	Confident	78 Å²	78	58.4 Å²	58.4	41%	0.408	31%	0.308	S	S	.	.	H	α-helix	trans	-62.9	-38.7	176	-61.1	178.5	0	0	0	111.9	G211 G212 I219 Q220	G211-L216 WeakPolarHBondContact O-CD1 3.38Å; G212-L216 PolarHBondContact O-N 3.02Å; L216-I219 PolarHBondContact O-N 3.36Å; L216-Q220 WeakPolarHBondContact O-CB 3.46Å; L216-Q220 VanDerWaalsContact O-CG 3.25Å; L216-Q220 WeakPolarHBondContact O-CG 3.25Å; L216-Q220 PolarHBondContact O-N 2.98Å
217	G	87.6	Confident	87.8	Confident	3 Å²	3	60.5 Å²	60.5	3%	0.031	32%	0.317	C	S	.	.	H	α-helix	trans	-64.5	-44.8	176	0	0	0	0	0	112.9	I48 K213 L214 H215 Q220 I221	I48-G217 VanDerWaalsContact CG2-CA 3.43Å; K213-G217 WeakPolarHBondContact O-CA 3.16Å; K213-G217 PolarHBondContact O-N 3.32Å; L214-G217 PolarHBondContact O-N 2.89Å; H215-G217 VanDerWaalsContact C-N 3.33Å; H215-G217 PolarHBondContact O-N 3.35Å; G217-Q220 PolarHBondContact O-N 3.44Å; G217-I221 WeakPolarHBondContact O-CB 3.49Å; G217-I221 VanDerWaalsContact O-CG1 3.25Å; G217-I221 WeakPolarHBondContact O-CG1 3.17Å; G217-I221 PolarHBondContact O-N 3.42Å
218	F	87.9	Confident	87.7	Confident	5 Å²	5	58.5 Å²	58.5	2%	0.022	30%	0.298	C	S	.	.	H	α-helix	trans	-67.8	-34.4	175	-80.2	-63.6	0	0	0	113.2	L49 M54 F93 C97 V192 L214 H215 R222	L49-F218 HydrophobicContact CD1-CE1 4.2Å; L49-F218 HydrophobicContact CD1-CZ 4.03Å; L49-F218 HydrophobicContact CD2-CD2 4.4Å; L49-F218 HydrophobicContact CD2-CE2 4.23Å; L49-F218 HydrophobicContact CD2-CZ 4.4Å; M54-F218 HydrophobicContact CE-CZ 4.47Å; F93-F218 HydrophobicContact CE1-CD1 4.31Å; F93-F218 AromaticContact CE1-CE1 3.62Å; F93-F218 HydrophobicContact CE1-CE1 3.62Å; F93-F218 AromaticContact CZ-CE1 3.8Å; F93-F218 HydrophobicContact CZ-CE1 3.8Å; F93-F218 HydrophobicContact CZ-CZ 4.27Å; C97-F218 HydrophobicContact CB-CE1 4.31Å; V192-F218 HydrophobicContact CG1-CB 3.46Å; V192-F218 VanDerWaalsContact CG1-CB 3.46Å; V192-F218 HydrophobicContact CG1-CG 4.46Å; V192-F218 VanDerWaalsContact O-CD2 3.3Å; V192-F218 WeakPolarHBondContact O-CD2 3.4Å; V192-F218 WeakPolarHBondContact O-CG 3.39Å; L214-F218 HydrophobicContact CD2-CE2 4.25Å; L214-F218 WeakPolarHBondContact O-CD2 3.37Å; L214-F218 PolarHBondContact O-N 2.9Å; H215-F218 PolarHBondContact O-N 3.42Å; F218-R222 WeakPolarHBondContact O-CG 3.24Å; F218-R222 PolarHBondContact O-N 2.91Å
219	I	90.1	Very high	87.5	Confident	58 Å²	58	56.5 Å²	56.5	30%	0.297	28%	0.284	S	S	.	.	H	α-helix	trans	-61	-52.5	169.8	-71.9	170.7	0	0	0	109.9	V192 H215 L216 I221 R222 E223	V192-I219 HydrophobicContact CG1-CG1 4.29Å; H215-I219 VanDerWaalsContact CD2-CD1 3.45Å; H215-I219 WeakPolarHBondContact CD2-CD1 3.31Å; H215-I219 WeakPolarHBondContact O-CG1 3.22Å; H215-I219 PolarHBondContact O-N 2.95Å; L216-I219 PolarHBondContact O-N 3.36Å; I219-I221 VanDerWaalsContact C-N 3.3Å; I219-I221 PolarHBondContact O-N 2.84Å; I219-R222 PolarHBondContact O-N 3.04Å; I219-R222 VanDerWaalsContact O-N 3.13Å; I219-E223 HydrophobicContact CG2-CG 4.13Å; I219-E223 WeakPolarHBondContact O-CB 3.14Å; I219-E223 WeakPolarHBondContact O-CG 3.32Å; I219-E223 PolarHBondContact O-N 2.9Å
220	Q	88.8	Confident	87.5	Confident	101 Å²	101	60.5 Å²	60.5	47%	0.472	30%	0.3	S	S	.	.	H	α-helix	trans	-57	-43.1	178.6	-73.4	170.8	14.9	0	0	111.9	L216 G217 K224	L216-Q220 WeakPolarHBondContact O-CB 3.46Å; L216-Q220 VanDerWaalsContact O-CG 3.25Å; L216-Q220 WeakPolarHBondContact O-CG 3.25Å; L216-Q220 PolarHBondContact O-N 2.98Å; G217-Q220 PolarHBondContact O-N 3.44Å; Q220-K224 WeakPolarHBondContact O-CB 3.46Å; Q220-K224 WeakPolarHBondContact O-CG 3.43Å; Q220-K224 PolarHBondContact O-N 2.69Å
221	I	88.3	Confident	87.3	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-61.3	-44	176.7	-76	167.6	0	0	0	111.6	P45 I48 L49 L90 F93 I94 G217 I219 L225	P45-I221 HydrophobicContact CB-CD1 4.22Å; I48-I221 HydrophobicContact CB-CD1 4.29Å; I48-I221 HydrophobicContact CD1-CD1 4.33Å; I48-I221 HydrophobicContact CD1-CG1 3.77Å; I48-I221 HydrophobicContact CG2-CD1 4.02Å; I48-I221 HydrophobicContact CG2-CG1 4.25Å; L49-I221 HydrophobicContact CD1-CD1 4.33Å; L49-I221 HydrophobicContact CD2-CD1 4.5Å; L49-I221 HydrophobicContact CG-CD1 4.24Å; L90-I221 HydrophobicContact CD2-CG2 4.01Å; F93-I221 HydrophobicContact CD1-CG2 4.29Å; F93-I221 HydrophobicContact CE1-CD1 4.08Å; I94-I221 HydrophobicContact CD1-CG2 3.94Å; I94-I221 HydrophobicContact CG1-CG2 4.09Å; G217-I221 WeakPolarHBondContact O-CB 3.49Å; G217-I221 VanDerWaalsContact O-CG1 3.25Å; G217-I221 WeakPolarHBondContact O-CG1 3.17Å; G217-I221 PolarHBondContact O-N 3.42Å; I219-I221 VanDerWaalsContact C-N 3.3Å; I219-I221 PolarHBondContact O-N 2.84Å; I221-L225 WeakPolarHBondContact O-CB 3.49Å; I221-L225 PolarHBondContact O-N 3.19Å
222	R	88.8	Confident	87	Confident	71 Å²	71	57 Å²	57	27%	0.268	28%	0.276	S	S	.	.	H	α-helix	trans	-69.8	-46.1	177.2	-74.8	178.9	172.9	165.6	0.8	112.3	I94 D98 E191 F218 I219 K224 L225 D226	I94-R222 HydrophobicContact CD1-CG 3.9Å; I94-R222 HydrophobicContact CG1-CG 4.38Å; D98-R222 IonicContact OD1-CZ 2.69Å; D98-R222 IonicContact OD1-NH2 2.73Å; D98-R222 PolarHBondContact OD1-NH2 2.62Å; E191-R222 PolarHBondContact O-NH1 2.8Å; E191-R222 PolarHBondContact O-NH2 2.97Å; F218-R222 WeakPolarHBondContact O-CG 3.24Å; F218-R222 PolarHBondContact O-N 2.91Å; I219-R222 PolarHBondContact O-N 3.04Å; I219-R222 VanDerWaalsContact O-N 3.13Å; R222-K224 VanDerWaalsContact C-N 3.3Å; R222-K224 PolarHBondContact O-N 3.16Å; R222-L225 PolarHBondContact O-N 3.32Å; R222-D226 PolarHBondContact O-N 3.1Å
223	E	90.9	Very high	86.7	Confident	105 Å²	105	59.3 Å²	59.3	49%	0.491	29%	0.286	S	S	.	.	H	α-helix	trans	-60	-38.9	175.1	-73.9	-175.6	178.2	0	0	112.4	I219 D226 Q227	I219-E223 HydrophobicContact CG2-CG 4.13Å; I219-E223 WeakPolarHBondContact O-CB 3.14Å; I219-E223 WeakPolarHBondContact O-CG 3.32Å; I219-E223 PolarHBondContact O-N 2.9Å; E223-D226 PolarHBondContact O-N 3.16Å; E223-Q227 VanDerWaalsContact O-CG 3.24Å; E223-Q227 WeakPolarHBondContact O-CG 3.11Å; E223-Q227 PolarHBondContact O-N 3.34Å; E223-Q227 PolarHBondContact O-NE2 3.45Å
224	K	86.1	Confident	86.6	Confident	76 Å²	76	56.6 Å²	56.6	33%	0.33	28%	0.275	S	S	.	.	H	α-helix	trans	-70.8	-38.7	177.5	-74.3	-71.9	165.2	-161.4	0	112.5	C43 Q220 R222 D226 Q227 L228	C43-K224 VanDerWaalsContact SG-CB 3.55Å; Q220-K224 WeakPolarHBondContact O-CB 3.46Å; Q220-K224 WeakPolarHBondContact O-CG 3.43Å; Q220-K224 PolarHBondContact O-N 2.69Å; R222-K224 VanDerWaalsContact C-N 3.3Å; R222-K224 PolarHBondContact O-N 3.16Å; K224-D226 VanDerWaalsContact C-N 3.3Å; K224-D226 PolarHBondContact O-N 3.47Å; K224-Q227 PolarHBondContact O-N 3.06Å; K224-L228 WeakPolarHBondContact O-CB 3.45Å; K224-L228 VanDerWaalsContact O-CG 3.29Å; K224-L228 WeakPolarHBondContact O-CG 3.25Å; K224-L228 PolarHBondContact O-N 3.34Å
225	L	87.6	Confident	86.3	Confident	14 Å²	14	56.8 Å²	56.8	7%	0.073	27%	0.274	C	S	.	.	H	α-helix	trans	-57.9	-44.3	169.2	168.7	144.6	0	0	0	110.9	L90 E91 I94 I221 R222 Q227 L228 K229	L90-L225 HydrophobicContact CB-CB 4.41Å; L90-L225 HydrophobicContact CB-CD1 4.07Å; L90-L225 HydrophobicContact CD1-CB 4.46Å; E91-L225 HydrophobicContact CG-CD1 3.73Å; I94-L225 HydrophobicContact CD1-CB 4.22Å; I94-L225 HydrophobicContact CD1-CD1 3.71Å; I94-L225 HydrophobicContact CD1-CG 4.43Å; I221-L225 WeakPolarHBondContact O-CB 3.49Å; I221-L225 PolarHBondContact O-N 3.19Å; R222-L225 PolarHBondContact O-N 3.32Å; L225-Q227 PolarHBondContact O-N 2.71Å; L225-L228 PolarHBondContact O-N 2.85Å; L225-K229 HydrophobicContact CD2-CD 3.71Å; L225-K229 HydrophobicContact CG-CD 4.08Å; L225-K229 HydrophobicContact CG-CG 4.47Å; L225-K229 WeakPolarHBondContact O-CB 3.38Å; L225-K229 VanDerWaalsContact O-CG 3.3Å; L225-K229 WeakPolarHBondContact O-CG 3.46Å; L225-K229 PolarHBondContact O-N 2.69Å
226	D	88.3	Confident	85.7	Confident	82 Å²	82	60.7 Å²	60.7	44%	0.439	29%	0.293	S	S	.	.	H	α-helix	trans	-67.8	-35.2	178.3	-88.1	-4.2	0	0	0	113.2	R222 E223 K224 K230	R222-D226 PolarHBondContact O-N 3.1Å; E223-D226 PolarHBondContact O-N 3.16Å; K224-D226 VanDerWaalsContact C-N 3.3Å; K224-D226 PolarHBondContact O-N 3.47Å; D226-K230 VanDerWaalsContact O-CD 3.29Å; D226-K230 WeakPolarHBondContact O-CD 3.46Å; D226-K230 VanDerWaalsContact O-CG 3.25Å; D226-K230 WeakPolarHBondContact O-CG 3.35Å; D226-K230 PolarHBondContact O-N 2.64Å
227	Q	87.8	Confident	85.3	Confident	84 Å²	84	62 Å²	62	39%	0.393	30%	0.297	S	S	.	.	H	α-helix	trans	-64.6	-49.4	172.5	-72.8	163.6	33.8	0	0	110.8	E223 K224 L225 K230 T231	E223-Q227 VanDerWaalsContact O-CG 3.24Å; E223-Q227 WeakPolarHBondContact O-CG 3.11Å; E223-Q227 PolarHBondContact O-N 3.34Å; E223-Q227 PolarHBondContact O-NE2 3.45Å; K224-Q227 PolarHBondContact O-N 3.06Å; L225-Q227 PolarHBondContact O-N 2.71Å; Q227-K230 PolarHBondContact O-N 2.63Å; Q227-T231 PolarHBondContact O-N 3.1Å
228	L	84.1	Confident	85	Confident	14 Å²	14	67.3 Å²	67.3	7%	0.073	32%	0.319	C	S	.	.	H	α-helix	trans	-66.5	-36.3	179.4	-69.6	169.7	0	0	0	112.4	L41 E83 A86 V87 L90 K224 L225 K230 T231 V232	L41-L228 HydrophobicContact CD1-CD2 4.13Å; L41-L228 HydrophobicContact CD2-CD2 4.35Å; E83-L228 HydrophobicContact CB-CD2 4.34Å; E83-L228 HydrophobicContact CG-CD2 4.01Å; A86-L228 HydrophobicContact CB-CD1 4.31Å; V87-L228 HydrophobicContact CG2-CB 3.59Å; L90-L228 HydrophobicContact CD1-CD1 3.7Å; K224-L228 WeakPolarHBondContact O-CB 3.45Å; K224-L228 VanDerWaalsContact O-CG 3.29Å; K224-L228 WeakPolarHBondContact O-CG 3.25Å; K224-L228 PolarHBondContact O-N 3.34Å; L225-L228 PolarHBondContact O-N 2.85Å; L228-K230 VanDerWaalsContact C-N 3.32Å; L228-K230 PolarHBondContact O-N 3.24Å; L228-T231 PolarHBondContact O-N 2.72Å; L228-T231 PolarHBondContact O-OG1 2.73Å; L228-T231 VanDerWaalsContact O-OG1 3.04Å; L228-V232 VanDerWaalsContact O-CB 3.25Å; L228-V232 WeakPolarHBondContact O-CB 3.42Å; L228-V232 WeakPolarHBondContact O-CG2 3.46Å; L228-V232 PolarHBondContact O-N 2.81Å
229	K	85.4	Confident	84.4	Confident	70 Å²	70	72.4 Å²	72.4	30%	0.304	34%	0.338	S	S	.	.	H	α-helix	trans	-61.7	-40.4	172.6	-79.1	-179.6	176.6	-172	0	111.8	V87 E91 L225 V233	V87-K229 HydrophobicContact CG1-CG 4.22Å; V87-K229 HydrophobicContact CG2-CG 4.48Å; E91-K229 WeakPolarHBondContact OE1-CE 3.13Å; E91-K229 IonicContact OE1-NZ 3.18Å; E91-K229 PolarHBondContact OE1-NZ 3.46Å; L225-K229 HydrophobicContact CD2-CD 3.71Å; L225-K229 HydrophobicContact CG-CD 4.08Å; L225-K229 HydrophobicContact CG-CG 4.47Å; L225-K229 WeakPolarHBondContact O-CB 3.38Å; L225-K229 VanDerWaalsContact O-CG 3.3Å; L225-K229 WeakPolarHBondContact O-CG 3.46Å; L225-K229 PolarHBondContact O-N 2.69Å; K229-V233 WeakPolarHBondContact O-CB 3.42Å; K229-V233 VanDerWaalsContact O-CG2 3.27Å; K229-V233 WeakPolarHBondContact O-CG2 3.24Å; K229-V233 PolarHBondContact O-N 3.27Å
230	K	86.2	Confident	83.9	Confident	127 Å²	127	73.4 Å²	73.4	55%	0.552	34%	0.344	S	S	*	.	H	α-helix	trans	-65.6	-46	175.8	-70.8	161.4	-169.1	163.5	0	111.5	D226 Q227 L228 V232 V233 E234	D226-K230 VanDerWaalsContact O-CD 3.29Å; D226-K230 WeakPolarHBondContact O-CD 3.46Å; D226-K230 VanDerWaalsContact O-CG 3.25Å; D226-K230 WeakPolarHBondContact O-CG 3.35Å; D226-K230 PolarHBondContact O-N 2.64Å; Q227-K230 PolarHBondContact O-N 2.63Å; L228-K230 VanDerWaalsContact C-N 3.32Å; L228-K230 PolarHBondContact O-N 3.24Å; K230-V232 PolarHBondContact O-N 3.39Å; K230-V233 PolarHBondContact O-N 3.02Å; K230-E234 WeakPolarHBondContact O-CB 3.4Å; K230-E234 WeakPolarHBondContact O-CG 3.13Å; K230-E234 PolarHBondContact O-N 2.88Å
231	T	82.2	Confident	83.5	Confident	52 Å²	52	72.9 Å²	72.9	32%	0.319	34%	0.342	S	S	.	.	H	α-helix	trans	-65.2	-40.1	176.9	61.4	0	0	0	0	112.3	E83 Q227 L228 E234 K235	E83-T231 VanDerWaalsContact OE2-CB 3.25Å; E83-T231 WeakPolarHBondContact OE2-CB 3.44Å; E83-T231 PolarHBondContact OE2-OG1 3.1Å; Q227-T231 PolarHBondContact O-N 3.1Å; L228-T231 PolarHBondContact O-N 2.72Å; L228-T231 PolarHBondContact O-OG1 2.73Å; L228-T231 VanDerWaalsContact O-OG1 3.04Å; T231-E234 PolarHBondContact O-N 3.31Å; T231-K235 WeakPolarHBondContact O-CB 3.17Å; T231-K235 VanDerWaalsContact O-CG 3.26Å; T231-K235 WeakPolarHBondContact O-CG 3.06Å; T231-K235 PolarHBondContact O-N 3.36Å
232	V	81.6	Confident	83.3	Confident	15 Å²	15	77.1 Å²	77.1	9%	0.091	36%	0.361	C	S	.	.	H	α-helix	trans	-61.9	-48	174.5	165.2	0	0	0	0	111.3	E83 L84 V87 L228 K230 K235 Q236	E83-V232 HydrophobicContact CB-CG2 3.74Å; L84-V232 HydrophobicContact CD2-CB 4.43Å; L84-V232 HydrophobicContact CD2-CG1 3.53Å; L84-V232 HydrophobicContact CD2-CG2 3.96Å; V87-V232 HydrophobicContact CG2-CG2 4.35Å; L228-V232 VanDerWaalsContact O-CB 3.25Å; L228-V232 WeakPolarHBondContact O-CB 3.42Å; L228-V232 WeakPolarHBondContact O-CG2 3.46Å; L228-V232 PolarHBondContact O-N 2.81Å; K230-V232 PolarHBondContact O-N 3.39Å; V232-K235 PolarHBondContact O-N 3.09Å; V232-Q236 HydrophobicContact CG1-CG 4.39Å; V232-Q236 VanDerWaalsContact CG1-NE2 3.3Å; V232-Q236 WeakPolarHBondContact O-CB 3.25Å; V232-Q236 VanDerWaalsContact O-CG 3.28Å; V232-Q236 WeakPolarHBondContact O-CG 3.48Å; V232-Q236 PolarHBondContact O-N 3.15Å
233	V	81.9	Confident	82.8	Confident	74 Å²	74	81.7 Å²	81.7	45%	0.448	38%	0.378	S	S	.	.	H	α-helix	trans	-61.7	-47.8	176.9	168.7	0	0	0	0	110.4	K229 K230 K235 Q236 E237	K229-V233 WeakPolarHBondContact O-CB 3.42Å; K229-V233 VanDerWaalsContact O-CG2 3.27Å; K229-V233 WeakPolarHBondContact O-CG2 3.24Å; K229-V233 PolarHBondContact O-N 3.27Å; K230-V233 PolarHBondContact O-N 3.02Å; V233-K235 VanDerWaalsContact C-N 3.33Å; V233-K235 PolarHBondContact O-N 3.19Å; V233-Q236 PolarHBondContact O-N 3.04Å; V233-E237 HydrophobicContact CG1-CG 4.33Å; V233-E237 WeakPolarHBondContact O-CB 3.38Å; V233-E237 WeakPolarHBondContact O-CG 3.43Å; V233-E237 PolarHBondContact O-N 2.88Å
234	E	82.8	Confident	82.5	Confident	97 Å²	97	81.4 Å²	81.4	45%	0.453	38%	0.38	S	S	.	.	H	α-helix	trans	-57.5	-42.6	175.5	-82.3	-170	-137	0	0	112.9	K230 T231 E237 K238	K230-E234 WeakPolarHBondContact O-CB 3.4Å; K230-E234 WeakPolarHBondContact O-CG 3.13Å; K230-E234 PolarHBondContact O-N 2.88Å; T231-E234 PolarHBondContact O-N 3.31Å; E234-E237 PolarHBondContact O-N 3.35Å; E234-K238 WeakPolarHBondContact O-CB 3.25Å; E234-K238 VanDerWaalsContact O-CD 3.31Å; E234-K238 WeakPolarHBondContact O-CD 3.44Å; E234-K238 WeakPolarHBondContact O-CG 3.47Å; E234-K238 PolarHBondContact O-N 3.42Å; E234-K238 IonicContact OE2-NZ 2.68Å; E234-K238 PolarHBondContact OE2-NZ 2.76Å
235	K	79.8	Confident	82.4	Confident	49 Å²	49	83.6 Å²	83.6	21%	0.213	39%	0.389	C	S	.	.	H	α-helix	trans	-70.6	-36.7	178.8	-72.5	179.9	-173.8	-161.4	0	111.7	D79 E83 T231 V232 V233 R239	D79-K235 WeakPolarHBondContact OD1-CE 3.43Å; D79-K235 IonicContact OD1-NZ 3.63Å; D79-K235 PolarHBondContact OD1-NZ 3.5Å; E83-K235 WeakPolarHBondContact OE1-CE 3.36Å; E83-K235 IonicContact OE1-NZ 3.08Å; E83-K235 PolarHBondContact OE1-NZ 3.1Å; E83-K235 IonicContact OE2-NZ 3.76Å; T231-K235 WeakPolarHBondContact O-CB 3.17Å; T231-K235 VanDerWaalsContact O-CG 3.26Å; T231-K235 WeakPolarHBondContact O-CG 3.06Å; T231-K235 PolarHBondContact O-N 3.36Å; V232-K235 PolarHBondContact O-N 3.09Å; V233-K235 VanDerWaalsContact C-N 3.33Å; V233-K235 PolarHBondContact O-N 3.19Å; K235-R239 VanDerWaalsContact O-CB 3.24Å; K235-R239 WeakPolarHBondContact O-CB 3.4Å; K235-R239 PolarHBondContact O-N 3.34Å
236	Q	76	Confident	82.1	Confident	100 Å²	100	89.5 Å²	89.5	47%	0.467	41%	0.411	S	S	.	.	H	α-helix	trans	-65.1	-43.4	171.3	-73.5	-173	35.7	0	0	111.6	V232 V233 R239 N240	V232-Q236 HydrophobicContact CG1-CG 4.39Å; V232-Q236 VanDerWaalsContact CG1-NE2 3.3Å; V232-Q236 WeakPolarHBondContact O-CB 3.25Å; V232-Q236 VanDerWaalsContact O-CG 3.28Å; V232-Q236 WeakPolarHBondContact O-CG 3.48Å; V232-Q236 PolarHBondContact O-N 3.15Å; V233-Q236 PolarHBondContact O-N 3.04Å; Q236-R239 PolarHBondContact O-N 3.09Å; Q236-N240 VanDerWaalsContact O-CB 3.28Å; Q236-N240 WeakPolarHBondContact O-CB 3.24Å; Q236-N240 PolarHBondContact O-N 2.88Å; Q236-N240 PolarHBondContact O-ND2 3.09Å
237	E	79.9	Confident	81.8	Confident	105 Å²	105	93 Å²	93	49%	0.491	42%	0.418	S	S	.	.	H	α-helix	trans	-64.1	-48.3	175.7	-77	-168.8	178.9	0	0	111.9	V233 E234 R239 N240 Q241	V233-E237 HydrophobicContact CG1-CG 4.33Å; V233-E237 WeakPolarHBondContact O-CB 3.38Å; V233-E237 WeakPolarHBondContact O-CG 3.43Å; V233-E237 PolarHBondContact O-N 2.88Å; E234-E237 PolarHBondContact O-N 3.35Å; E237-R239 VanDerWaalsContact C-N 3.29Å; E237-R239 PolarHBondContact O-N 3.39Å; E237-N240 CarbonylContact O-C 3.58Å; E237-N240 PolarHBondContact O-N 2.93Å; E237-N240 VanDerWaalsContact O-N 3.09Å; E237-Q241 WeakPolarHBondContact O-CB 3.4Å; E237-Q241 VanDerWaalsContact O-CG 3.29Å; E237-Q241 WeakPolarHBondContact O-CG 3.25Å; E237-Q241 PolarHBondContact O-N 3.36Å
238	K	81.2	Confident	81.6	Confident	115 Å²	115	93.6 Å²	93.6	50%	0.5	42%	0.421	S	S	.	.	H	α-helix	trans	-56	-44.6	175.2	-72	160.3	-167.1	166.8	0	110.8	E234 E242	E234-K238 WeakPolarHBondContact O-CB 3.25Å; E234-K238 VanDerWaalsContact O-CD 3.31Å; E234-K238 WeakPolarHBondContact O-CD 3.44Å; E234-K238 WeakPolarHBondContact O-CG 3.47Å; E234-K238 PolarHBondContact O-N 3.42Å; E234-K238 IonicContact OE2-NZ 2.68Å; E234-K238 PolarHBondContact OE2-NZ 2.76Å; K238-E242 WeakPolarHBondContact O-CB 3.47Å; K238-E242 PolarHBondContact O-N 3.18Å
239	R	74.1	Confident	81.6	Confident	111 Å²	111	98.6 Å²	98.6	42%	0.419	44%	0.444	S	S	.	.	H	α-helix	trans	-66.3	-36.5	174.9	178.9	176.7	-97.3	179	-3	113.2	K235 Q236 E237 R243	K235-R239 VanDerWaalsContact O-CB 3.24Å; K235-R239 WeakPolarHBondContact O-CB 3.4Å; K235-R239 PolarHBondContact O-N 3.34Å; Q236-R239 PolarHBondContact O-N 3.09Å; E237-R239 VanDerWaalsContact C-N 3.29Å; E237-R239 PolarHBondContact O-N 3.39Å; R239-R243 WeakPolarHBondContact O-CB 3.33Å; R239-R243 VanDerWaalsContact O-CG 3.26Å; R239-R243 WeakPolarHBondContact O-CG 3.41Å; R239-R243 PolarHBondContact O-N 2.76Å
240	N	80.6	Confident	81.4	Confident	80 Å²	80	104 Å²	104	43%	0.428	46%	0.462	S	S	.	.	H	α-helix	trans	-73.3	-40.4	177.1	-75.8	-24.7	0	0	0	111.7	Q236 E237 R243 L244	Q236-N240 VanDerWaalsContact O-CB 3.28Å; Q236-N240 WeakPolarHBondContact O-CB 3.24Å; Q236-N240 PolarHBondContact O-N 2.88Å; Q236-N240 PolarHBondContact O-ND2 3.09Å; E237-N240 CarbonylContact O-C 3.58Å; E237-N240 PolarHBondContact O-N 2.93Å; E237-N240 VanDerWaalsContact O-N 3.09Å; N240-R243 PolarHBondContact O-N 3.27Å; N240-L244 WeakPolarHBondContact O-CB 3.46Å; N240-L244 VanDerWaalsContact O-CG 3.31Å; N240-L244 WeakPolarHBondContact O-CG 3.34Å; N240-L244 PolarHBondContact O-N 2.72Å
241	Q	80.8	Confident	81.3	Confident	90 Å²	90	101.3 Å²	101.3	42%	0.421	45%	0.451	S	S	.	.	H	α-helix	trans	-62.2	-40.4	170.7	-70.6	-179.3	29.6	0	0	111.5	E237 L244 K245	E237-Q241 WeakPolarHBondContact O-CB 3.4Å; E237-Q241 VanDerWaalsContact O-CG 3.29Å; E237-Q241 WeakPolarHBondContact O-CG 3.25Å; E237-Q241 PolarHBondContact O-N 3.36Å; Q241-L244 PolarHBondContact O-N 3.18Å; Q241-K245 WeakPolarHBondContact O-CB 3.45Å; Q241-K245 VanDerWaalsContact O-CG 3.23Å; Q241-K245 WeakPolarHBondContact O-CG 3.39Å; Q241-K245 PolarHBondContact O-N 3.07Å
242	E	83.9	Confident	81.4	Confident	88 Å²	88	104.3 Å²	104.3	41%	0.411	46%	0.46	S	S	.	.	H	α-helix	trans	-63.8	-44	173.8	-163	-150.3	157.9	0	0	111.4	K238 L244 K245 R246	K238-E242 WeakPolarHBondContact O-CB 3.47Å; K238-E242 PolarHBondContact O-N 3.18Å; E242-L244 VanDerWaalsContact C-N 3.34Å; E242-L244 PolarHBondContact O-N 3.16Å; E242-K245 PolarHBondContact O-N 2.97Å; E242-R246 WeakPolarHBondContact O-CB 3.44Å; E242-R246 WeakPolarHBondContact O-CG 3.43Å; E242-R246 PolarHBondContact O-N 2.92Å; E242-R246 IonicContact OE1-CZ 3.75Å; E242-R246 IonicContact OE1-NE 2.64Å; E242-R246 PolarHBondContact OE1-NE 2.92Å; E242-R246 IonicContact OE1-NH2 2.62Å; E242-R246 PolarHBondContact OE1-NH2 3.02Å
243	R	77.8	Confident	81.4	Confident	167 Å²	167	108.2 Å²	108.2	63%	0.63	48%	0.477	S	S	*	.	H	α-helix	trans	-61.5	-39.8	174.5	-75.7	171.9	172.2	-150.1	-2.5	112.4	R239 N240 R247	R239-R243 WeakPolarHBondContact O-CB 3.33Å; R239-R243 VanDerWaalsContact O-CG 3.26Å; R239-R243 WeakPolarHBondContact O-CG 3.41Å; R239-R243 PolarHBondContact O-N 2.76Å; N240-R243 PolarHBondContact O-N 3.27Å; R243-R247 WeakPolarHBondContact O-CB 3.34Å; R243-R247 PolarHBondContact O-N 2.93Å
244	L	84.2	Confident	81.3	Confident	100 Å²	100	109.4 Å²	109.4	52%	0.524	48%	0.478	S	S	.	.	H	α-helix	trans	-67.3	-46.7	174.6	-74.4	167.5	0	0	0	111.5	N240 Q241 E242 R246 R247 E248	N240-L244 WeakPolarHBondContact O-CB 3.46Å; N240-L244 VanDerWaalsContact O-CG 3.31Å; N240-L244 WeakPolarHBondContact O-CG 3.34Å; N240-L244 PolarHBondContact O-N 2.72Å; Q241-L244 PolarHBondContact O-N 3.18Å; E242-L244 VanDerWaalsContact C-N 3.34Å; E242-L244 PolarHBondContact O-N 3.16Å; L244-R246 PolarHBondContact O-N 2.77Å; L244-R247 CarbonylContact O-C 3.58Å; L244-R247 WeakPolarHBondContact O-CA 3.46Å; L244-R247 WeakPolarHBondContact O-CB 3.37Å; L244-R247 PolarHBondContact O-N 2.85Å; L244-E248 PolarHBondContact O-N 3.45Å
245	K	84.9	Confident	81.1	Confident	122 Å²	122	113 Å²	113	53%	0.53	49%	0.487	S	S	.	.	H	α-helix	trans	-57.8	-48.8	175.1	-74.2	165.8	-176.9	170.3	0	111.3	Q241 E242 R247 E248 E249	Q241-K245 WeakPolarHBondContact O-CB 3.45Å; Q241-K245 VanDerWaalsContact O-CG 3.23Å; Q241-K245 WeakPolarHBondContact O-CG 3.39Å; Q241-K245 PolarHBondContact O-N 3.07Å; E242-K245 PolarHBondContact O-N 2.97Å; K245-R247 VanDerWaalsContact C-N 3.26Å; K245-R247 PolarHBondContact O-N 3.22Å; K245-E248 PolarHBondContact O-N 2.89Å; K245-E249 WeakPolarHBondContact O-CB 3.17Å; K245-E249 WeakPolarHBondContact O-CG 3.46Å; K245-E249 PolarHBondContact O-N 3.25Å
246	R	80.6	Confident	80.8	Confident	137 Å²	137	116.8 Å²	116.8	52%	0.517	51%	0.507	S	S	.	.	H	α-helix	trans	-62.4	-29.2	174.8	-71.5	-178	-174.1	-92.3	8.8	113.4	E242 L244 R250	E242-R246 WeakPolarHBondContact O-CB 3.44Å; E242-R246 WeakPolarHBondContact O-CG 3.43Å; E242-R246 PolarHBondContact O-N 2.92Å; E242-R246 IonicContact OE1-CZ 3.75Å; E242-R246 IonicContact OE1-NE 2.64Å; E242-R246 PolarHBondContact OE1-NE 2.92Å; E242-R246 IonicContact OE1-NH2 2.62Å; E242-R246 PolarHBondContact OE1-NH2 3.02Å; L244-R246 PolarHBondContact O-N 2.77Å; R246-R250 WeakPolarHBondContact O-CD 3.5Å; R246-R250 VanDerWaalsContact O-CG 3.24Å; R246-R250 WeakPolarHBondContact O-CG 3.39Å; R246-R250 PolarHBondContact O-N 3.37Å
247	R	82	Confident	80.7	Confident	157 Å²	157	119.3 Å²	119.3	59%	0.592	51%	0.513	S	S	*	.	H	α-helix	trans	-73.1	-48.4	172.6	178.1	-180	171.7	168.7	-1.1	111	R243 L244 K245 E249 R250 E251	R243-R247 WeakPolarHBondContact O-CB 3.34Å; R243-R247 PolarHBondContact O-N 2.93Å; L244-R247 CarbonylContact O-C 3.58Å; L244-R247 WeakPolarHBondContact O-CA 3.46Å; L244-R247 WeakPolarHBondContact O-CB 3.37Å; L244-R247 PolarHBondContact O-N 2.85Å; K245-R247 VanDerWaalsContact C-N 3.26Å; K245-R247 PolarHBondContact O-N 3.22Å; R247-E249 VanDerWaalsContact C-N 3.31Å; R247-E249 PolarHBondContact O-N 3.44Å; R247-R250 WeakPolarHBondContact O-CB 3.41Å; R247-R250 PolarHBondContact O-N 3.09Å; R247-E251 IonicContact CZ-OE1 2.64Å; R247-E251 IonicContact NE-OE1 3.12Å; R247-E251 PolarHBondContact NE-OE1 3.37Å; R247-E251 IonicContact NH2-OE1 2.62Å; R247-E251 PolarHBondContact NH2-OE1 2.98Å; R247-E251 PolarHBondContact O-N 2.92Å
248	E	83.3	Confident	80.4	Confident	96 Å²	96	119.7 Å²	119.7	45%	0.449	51%	0.513	S	S	.	.	H	α-helix	trans	-58.6	-41.4	175.6	-81	-171.2	-144.5	0	0	112.3	L244 K245 E251 K252	L244-E248 PolarHBondContact O-N 3.45Å; K245-E248 PolarHBondContact O-N 2.89Å; E248-E251 PolarHBondContact O-N 3.24Å; E248-K252 VanDerWaalsContact O-CB 3.27Å; E248-K252 WeakPolarHBondContact O-CB 3.18Å; E248-K252 WeakPolarHBondContact O-CD 3.1Å; E248-K252 WeakPolarHBondContact O-CG 3.34Å; E248-K252 PolarHBondContact O-N 3.14Å; E248-K252 WeakPolarHBondContact OE2-CE 3.44Å; E248-K252 IonicContact OE2-NZ 3.49Å; E248-K252 PolarHBondContact OE2-NZ 3.45Å
249	E	84.3	Confident	79.9	Confident	119 Å²	119	122.7 Å²	122.7	56%	0.556	52%	0.521	S	S	*	.	H	α-helix	trans	-59.2	-46.8	174.6	-76.5	174	159.9	0	0	111.3	K245 R247 E251 K252 E253	K245-E249 WeakPolarHBondContact O-CB 3.17Å; K245-E249 WeakPolarHBondContact O-CG 3.46Å; K245-E249 PolarHBondContact O-N 3.25Å; R247-E249 VanDerWaalsContact C-N 3.31Å; R247-E249 PolarHBondContact O-N 3.44Å; E249-E251 PolarHBondContact O-N 3.29Å; E249-K252 PolarHBondContact O-N 2.78Å; E249-E253 WeakPolarHBondContact O-CB 3.13Å; E249-E253 PolarHBondContact O-N 2.84Å
250	R	81.4	Confident	79.4	Confident	184 Å²	184	121.3 Å²	121.3	69%	0.694	53%	0.525	S	S	*	.	H	α-helix	trans	-61.3	-42.2	174.9	-71.2	167.6	-179.1	-170.6	0.1	111.9	R246 R247 E253 E254	R246-R250 WeakPolarHBondContact O-CD 3.5Å; R246-R250 VanDerWaalsContact O-CG 3.24Å; R246-R250 WeakPolarHBondContact O-CG 3.39Å; R246-R250 PolarHBondContact O-N 3.37Å; R247-R250 WeakPolarHBondContact O-CB 3.41Å; R247-R250 PolarHBondContact O-N 3.09Å; R250-E253 PolarHBondContact O-N 3.09Å; R250-E254 WeakPolarHBondContact O-CB 3.31Å; R250-E254 PolarHBondContact O-N 3.11Å
251	E	84	Confident	78.4	Confident	69 Å²	69	126 Å²	126	32%	0.322	54%	0.536	S	S	.	.	H	α-helix	trans	-69.4	-37.1	177.2	-70.1	-172.7	-153.2	0	0	112.3	R247 E248 E249 E254 R255	R247-E251 IonicContact CZ-OE1 2.64Å; R247-E251 IonicContact NE-OE1 3.12Å; R247-E251 PolarHBondContact NE-OE1 3.37Å; R247-E251 IonicContact NH2-OE1 2.62Å; R247-E251 PolarHBondContact NH2-OE1 2.98Å; R247-E251 PolarHBondContact O-N 2.92Å; E248-E251 PolarHBondContact O-N 3.24Å; E249-E251 PolarHBondContact O-N 3.29Å; E251-E254 PolarHBondContact O-N 2.89Å; E251-R255 WeakPolarHBondContact O-CB 3.43Å; E251-R255 WeakPolarHBondContact O-CG 3.4Å; E251-R255 PolarHBondContact O-N 3.22Å
252	K	84.3	Confident	77.3	Confident	116 Å²	116	125.1 Å²	125.1	50%	0.504	54%	0.541	S	S	.	.	H	α-helix	trans	-66.5	-42.8	173.4	-72.4	162.3	-168.7	168.4	0	110.9	E248 E249 R255 M256	E248-K252 VanDerWaalsContact O-CB 3.27Å; E248-K252 WeakPolarHBondContact O-CB 3.18Å; E248-K252 WeakPolarHBondContact O-CD 3.1Å; E248-K252 WeakPolarHBondContact O-CG 3.34Å; E248-K252 PolarHBondContact O-N 3.14Å; E248-K252 WeakPolarHBondContact OE2-CE 3.44Å; E248-K252 IonicContact OE2-NZ 3.49Å; E248-K252 PolarHBondContact OE2-NZ 3.45Å; E249-K252 PolarHBondContact O-N 2.78Å; K252-R255 PolarHBondContact O-N 2.72Å; K252-M256 WeakPolarHBondContact O-CB 3.44Å; K252-M256 WeakPolarHBondContact O-CG 3.41Å; K252-M256 PolarHBondContact O-N 2.81Å
253	E	81.1	Confident	76	Confident	97 Å²	97	129.1 Å²	129.1	45%	0.453	55%	0.552	S	S	.	*	H	α-helix	trans	-65.5	-41.6	175.1	-155.1	-150.5	164.8	0	0	111.2	E249 R250 M256 R257	E249-E253 WeakPolarHBondContact O-CB 3.13Å; E249-E253 PolarHBondContact O-N 2.84Å; R250-E253 PolarHBondContact O-N 3.09Å; E253-M256 WeakPolarHBondContact O-CB 3.37Å; E253-M256 PolarHBondContact O-N 3.18Å; E253-R257 VanDerWaalsContact CD-NE 3.3Å; E253-R257 WeakPolarHBondContact O-CB 3.47Å; E253-R257 VanDerWaalsContact O-CG 3.3Å; E253-R257 WeakPolarHBondContact O-CG 3.43Å; E253-R257 PolarHBondContact O-N 3.44Å; E253-R257 IonicContact OE1-CZ 2.83Å; E253-R257 IonicContact OE1-NE 3.58Å; E253-R257 PolarHBondContact OE1-NE 3.19Å; E253-R257 IonicContact OE1-NH2 3.82Å; E253-R257 PolarHBondContact OE1-NH2 3.21Å; E253-R257 IonicContact OE2-CZ 3.24Å; E253-R257 IonicContact OE2-NE 3.59Å; E253-R257 IonicContact OE2-NH2 2.69Å; E253-R257 PolarHBondContact OE2-NH2 3.35Å
254	E	79.9	Confident	74.8	Confident	98 Å²	98	124.6 Å²	124.6	46%	0.458	55%	0.546	S	S	.	.	H	α-helix	trans	-66.7	-39.1	176.7	-151.8	-145.1	165.6	0	0	111.7	R250 E251 R257 K258	R250-E254 WeakPolarHBondContact O-CB 3.31Å; R250-E254 PolarHBondContact O-N 3.11Å; E251-E254 PolarHBondContact O-N 2.89Å; E254-R257 PolarHBondContact O-N 3.1Å; E254-K258 VanDerWaalsContact CD-CE 3.5Å; E254-K258 WeakPolarHBondContact O-CB 3.31Å; E254-K258 VanDerWaalsContact O-CG 3.28Å; E254-K258 WeakPolarHBondContact O-CG 3.41Å; E254-K258 PolarHBondContact O-N 3.25Å; E254-K258 WeakPolarHBondContact OE1-CE 3.46Å; E254-K258 IonicContact OE1-NZ 2.79Å; E254-K258 PolarHBondContact OE1-NZ 2.94Å; E254-K258 IonicContact OE2-NZ 2.98Å; E254-K258 PolarHBondContact OE2-NZ 2.6Å
255	R	78.5	Confident	73.3	Confident	172 Å²	172	128.3 Å²	128.3	65%	0.649	55%	0.553	S	S	*	*	H	α-helix	trans	-61	-41.9	171	-73.2	171.9	-166	-148.4	8.1	111.5	E251 K252 K258 R259	E251-R255 WeakPolarHBondContact O-CB 3.43Å; E251-R255 WeakPolarHBondContact O-CG 3.4Å; E251-R255 PolarHBondContact O-N 3.22Å; K252-R255 PolarHBondContact O-N 2.72Å; R255-K258 PolarHBondContact O-N 2.72Å; R255-R259 WeakPolarHBondContact O-CB 3.21Å; R255-R259 PolarHBondContact O-N 3.3Å
256	M	74.2	Confident	71.6	Confident	129 Å²	129	128.9 Å²	128.9	64%	0.635	56%	0.557	S	S	*	*	H	α-helix	trans	-62.7	-49.9	173.3	-79.9	-104.1	-83.5	0	0	112.1	K252 E253 K258 R259 T260	K252-M256 WeakPolarHBondContact O-CB 3.44Å; K252-M256 WeakPolarHBondContact O-CG 3.41Å; K252-M256 PolarHBondContact O-N 2.81Å; E253-M256 WeakPolarHBondContact O-CB 3.37Å; E253-M256 PolarHBondContact O-N 3.18Å; M256-K258 VanDerWaalsContact C-N 3.28Å; M256-K258 PolarHBondContact O-N 3.43Å; M256-R259 PolarHBondContact O-N 3.43Å; M256-R259 VanDerWaalsContact O-N 3.08Å; M256-T260 PolarHBondContact O-N 2.91Å; M256-T260 PolarHBondContact O-OG1 3.24Å
257	R	74	Confident	70	Confident	154 Å²	154	129 Å²	129	58%	0.581	56%	0.563	S	S	*	*	H	α-helix	trans	-59	-36.7	175.8	-72.1	174.2	177.8	-154.4	5.5	112	E253 E254 T260 R261	E253-R257 VanDerWaalsContact CD-NE 3.3Å; E253-R257 WeakPolarHBondContact O-CB 3.47Å; E253-R257 VanDerWaalsContact O-CG 3.3Å; E253-R257 WeakPolarHBondContact O-CG 3.43Å; E253-R257 PolarHBondContact O-N 3.44Å; E253-R257 IonicContact OE1-CZ 2.83Å; E253-R257 IonicContact OE1-NE 3.58Å; E253-R257 PolarHBondContact OE1-NE 3.19Å; E253-R257 IonicContact OE1-NH2 3.82Å; E253-R257 PolarHBondContact OE1-NH2 3.21Å; E253-R257 IonicContact OE2-CZ 3.24Å; E253-R257 IonicContact OE2-NE 3.59Å; E253-R257 IonicContact OE2-NH2 2.69Å; E253-R257 PolarHBondContact OE2-NH2 3.35Å; E254-R257 PolarHBondContact O-N 3.1Å; R257-T260 PolarHBondContact O-OG1 2.96Å; R257-R261 WeakPolarHBondContact O-CB 3.32Å; R257-R261 PolarHBondContact O-N 3.1Å; R257-R261 VanDerWaalsContact O-N 3.11Å
258	K	74.4	Confident	68.4	Low	113 Å²	113	131.2 Å²	131.2	49%	0.491	57%	0.572	S	S	.	*	H	α-helix	trans	-64.8	-49	171	-77.4	162.8	172.8	162.2	0	111	E254 R255 M256 T260 R261 S262	E254-K258 VanDerWaalsContact CD-CE 3.5Å; E254-K258 WeakPolarHBondContact O-CB 3.31Å; E254-K258 VanDerWaalsContact O-CG 3.28Å; E254-K258 WeakPolarHBondContact O-CG 3.41Å; E254-K258 PolarHBondContact O-N 3.25Å; E254-K258 WeakPolarHBondContact OE1-CE 3.46Å; E254-K258 IonicContact OE1-NZ 2.79Å; E254-K258 PolarHBondContact OE1-NZ 2.94Å; E254-K258 IonicContact OE2-NZ 2.98Å; E254-K258 PolarHBondContact OE2-NZ 2.6Å; R255-K258 PolarHBondContact O-N 2.72Å; M256-K258 VanDerWaalsContact C-N 3.28Å; M256-K258 PolarHBondContact O-N 3.43Å; K258-T260 PolarHBondContact O-N 3Å; K258-R261 PolarHBondContact O-N 3.19Å; K258-S262 PolarHBondContact O-N 3.44Å; K258-S262 PolarHBondContact O-OG 3.1Å
259	R	68.9	Low	66.6	Low	177 Å²	177	136.5 Å²	136.5	67%	0.668	59%	0.588	S	S	*	*	H	α-helix	trans	-61.9	-41.7	-179.6	-164.8	178.4	-170.8	-173.2	4.3	113.1	R255 M256 S262 R263	R255-R259 WeakPolarHBondContact O-CB 3.21Å; R255-R259 PolarHBondContact O-N 3.3Å; M256-R259 PolarHBondContact O-N 3.43Å; M256-R259 VanDerWaalsContact O-N 3.08Å; R259-S262 PolarHBondContact O-N 3.49Å; R259-R263 PolarHBondContact O-N 3.02Å
260	T	64.1	Low	64.7	Low	83 Å²	83	134 Å²	134	51%	0.509	58%	0.583	S	S	.	*	H	α-helix	trans	-69	-43.5	175.6	55.8	0	0	0	0	111.6	M256 R257 K258 S262 R263 S264	M256-T260 PolarHBondContact O-N 2.91Å; M256-T260 PolarHBondContact O-OG1 3.24Å; R257-T260 PolarHBondContact O-OG1 2.96Å; K258-T260 PolarHBondContact O-N 3Å; T260-S262 PolarHBondContact O-N 3.01Å; T260-R263 PolarHBondContact O-N 3.37Å; T260-S264 PolarHBondContact O-N 2.97Å; T260-S264 PolarHBondContact O-OG 3.42Å
261	R	59.1	Low	62.9	Low	177 Å²	177	134.6 Å²	134.6	67%	0.668	59%	0.586	S	S	*	*	H	α-helix	trans	-61.4	-29.2	176.3	-165.2	174.8	-167.5	179.5	4.1	113	R257 K258 R265	R257-R261 WeakPolarHBondContact O-CB 3.32Å; R257-R261 PolarHBondContact O-N 3.1Å; R257-R261 VanDerWaalsContact O-N 3.11Å; K258-R261 PolarHBondContact O-N 3.19Å; R261-R265 PolarHBondContact O-N 3.32Å
262	S	57.7	Low	61.1	Low	73 Å²	73	135.2 Å²	135.2	51%	0.51	60%	0.598	S	S	.	*	H	α-helix	trans	-68.3	-54.8	169.7	-64.6	0	0	0	0	112.2	K258 R259 T260 S264 R265 E266	K258-S262 PolarHBondContact O-N 3.44Å; K258-S262 PolarHBondContact O-OG 3.1Å; R259-S262 PolarHBondContact O-N 3.49Å; T260-S262 PolarHBondContact O-N 3.01Å; S262-S264 VanDerWaalsContact C-N 3.28Å; S262-S264 PolarHBondContact O-N 2.79Å; S262-R265 WeakPolarHBondContact O-CA 3.2Å; S262-R265 WeakPolarHBondContact O-CB 3.45Å; S262-R265 PolarHBondContact O-N 3.49Å; S262-E266 PolarHBondContact O-N 3.09Å; S262-E266 VanDerWaalsContact O-N 3.1Å
263	R	56.7	Low	59.3	Low	171 Å²	171	140 Å²	140	65%	0.645	61%	0.612	S	S	*	*	H	α-helix	trans	-55.5	-41.2	176.9	-82.5	-178.5	164.2	175.1	-6.3	112.5	R259 T260 R265 E266 H267	R259-R263 PolarHBondContact O-N 3.02Å; T260-R263 PolarHBondContact O-N 3.37Å; R263-R265 VanDerWaalsContact C-N 3.28Å; R263-R265 PolarHBondContact O-N 3.35Å; R263-E266 PolarHBondContact O-N 2.59Å; R263-H267 PolarHBondContact O-N 3.08Å
264	S	54.3	Low	57.6	Low	72 Å²	72	142.4 Å²	142.4	50%	0.503	63%	0.628	S	S	.	*	H	α-helix	trans	-68.5	-21.5	176.3	-57	0	0	0	0	114.2	T260 S262 R268	T260-S264 PolarHBondContact O-N 2.97Å; T260-S264 PolarHBondContact O-OG 3.42Å; S262-S264 VanDerWaalsContact C-N 3.28Å; S262-S264 PolarHBondContact O-N 2.79Å; S264-R268 WeakPolarHBondContact O-CG 3.47Å
265	R	51.9	Low	55.9	Low	178 Å²	178	149.3 Å²	149.3	67%	0.672	65%	0.65	S	S	*	*	H	α-helix	trans	-79	-38.8	171.5	-87	176.7	162	168.5	-6.4	111.8	R261 S262 R263 R268 R269	R261-R265 PolarHBondContact O-N 3.32Å; S262-R265 WeakPolarHBondContact O-CA 3.2Å; S262-R265 WeakPolarHBondContact O-CB 3.45Å; S262-R265 PolarHBondContact O-N 3.49Å; R263-R265 VanDerWaalsContact C-N 3.28Å; R263-R265 PolarHBondContact O-N 3.35Å; R265-R268 PolarHBondContact O-N 3.45Å; R265-R269 PolarHBondContact O-N 2.9Å
266	E	49.8	Very low	54.1	Low	134 Å²	134	152.6 Å²	152.6	63%	0.626	66%	0.663	S	S	*	*	H	α-helix	trans	-62.9	-47.1	174	-71.1	-179.4	117.4	0	0	111.9	S262 R263 R268 R269 S270	S262-E266 PolarHBondContact O-N 3.09Å; S262-E266 VanDerWaalsContact O-N 3.1Å; R263-E266 PolarHBondContact O-N 2.59Å; E266-R268 PolarHBondContact O-N 2.96Å; E266-R268 VanDerWaalsContact O-N 3.1Å; E266-R269 WeakPolarHBondContact O-CA 3.41Å; E266-R269 WeakPolarHBondContact O-CB 3.42Å; E266-R269 PolarHBondContact O-N 3.38Å; E266-S270 PolarHBondContact O-N 2.68Å; E266-S270 PolarHBondContact O-OG 3.2Å
267	H	46.9	Very low	52.8	Low	139 Å²	139	157.1 Å²	157.1	64%	0.644	67%	0.673	S	S	*	*	H	α-helix	trans	-63	-20.6	179.7	-161.6	72.1	0	0	0	114	R263 S270 R271	R263-H267 PolarHBondContact O-N 3.08Å; H267-S270 PolarHBondContact O-OG 3.27Å; H267-R271 PolarHBondContact NE2-NH1 3.02Å; H267-R271 WeakPolarHBondContact O-CB 3.41Å
268	R	47.5	Very low	51.3	Low	205 Å²	205	160.7 Å²	160.7	77%	0.774	69%	0.686	S	S	*	*	H	α-helix	trans	-84.8	-24.1	170.9	-71.4	-175	-179.8	-155.6	0.6	113.1	S264 R265 E266 S272	S264-R268 WeakPolarHBondContact O-CG 3.47Å; R265-R268 PolarHBondContact O-N 3.45Å; E266-R268 PolarHBondContact O-N 2.96Å; E266-R268 VanDerWaalsContact O-N 3.1Å; R268-S272 PolarHBondContact O-OG 3.09Å
269	R	44.9	Very low	49.4	Very low	206 Å²	206	167 Å²	167	78%	0.777	71%	0.707	S	S	*	*	H	α-helix	trans	-78.2	-35	174	-93.5	-178.1	167.8	170	-4.4	113.1	R265 E266 S272	R265-R269 PolarHBondContact O-N 2.9Å; E266-R269 WeakPolarHBondContact O-CA 3.41Å; E266-R269 WeakPolarHBondContact O-CB 3.42Å; E266-R269 PolarHBondContact O-N 3.38Å; R269-S272 PolarHBondContact O-OG 2.9Å
270	S	44.7	Very low	48.1	Very low	66 Å²	66	163.8 Å²	163.8	46%	0.462	71%	0.712	S	S	.	*	H	α-helix	trans	-69.3	-51.3	173.4	52	0	0	0	0	111.3	E266 H267 S272 R273	E266-S270 PolarHBondContact O-N 2.68Å; E266-S270 PolarHBondContact O-OG 3.2Å; H267-S270 PolarHBondContact O-OG 3.27Å; S270-S272 PolarHBondContact O-N 3.26Å; S270-R273 PolarHBondContact O-N 2.88Å
271	R	43.9	Very low	46.7	Very low	197 Å²	197	171.6 Å²	171.6	74%	0.743	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.8	5.9	-176.1	-149.7	170.9	-168.9	154.5	3.3	115.6	H267	H267-R271 PolarHBondContact NE2-NH1 3.02Å; H267-R271 WeakPolarHBondContact O-CB 3.41Å
272	S	46.1	Very low	45.8	Very low	82 Å²	82	168.7 Å²	168.7	57%	0.573	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.2	1.7	178.4	46.8	0	0	0	0	114.8	R268 R269 S270	R268-S272 PolarHBondContact O-OG 3.09Å; R269-S272 PolarHBondContact O-OG 2.9Å; S270-S272 PolarHBondContact O-N 3.26Å
273	R	47	Very low	44.7	Very low	216 Å²	216	171 Å²	171	82%	0.815	76%	0.755	S	S	*	*	S	Bend	trans	-85.6	-32	175.5	-86	-176.8	163.5	170.1	-5.6	114.8	S270 R275	S270-R273 PolarHBondContact O-N 2.88Å; R273-R275 PolarHBondContact O-N 2.76Å
274	D	44.8	Very low	44	Very low	148 Å²	148	168.1 Å²	168.1	79%	0.791	76%	0.761	S	S	*	*	S	Bend	trans	-86.9	5.5	-169.8	-69.7	-71.8	0	0	0	117.5
275	R	43.8	Very low	43.1	Very low	244 Å²	244	176.4 Å²	176.4	92%	0.921	78%	0.781	S	S	*	*	S	Bend	trans	-108.5	43.3	176.2	-73.8	-169.8	173.9	-175.6	-1.5	113.9	R273	R273-R275 PolarHBondContact O-N 2.76Å
276	R	41.3	Very low	42.6	Very low	240 Å²	240	174.2 Å²	174.2	91%	0.906	78%	0.782	S	S	*	*			trans	-131.4	42.8	171.5	-74.9	-163.8	173.9	-154.1	-0.2	114.3
277	R	46.1	Very low	41.8	Very low	225 Å²	225	179.8 Å²	179.8	85%	0.849	80%	0.798	S	S	*	*	S	Bend	trans	-126.1	125.9	165.8	-123.8	177.6	-178.8	-179.6	0.7	111.6
278	R	42.5	Very low	41.5	Very low	228 Å²	228	184.1 Å²	184.1	86%	0.86	81%	0.809	S	S	*	*			trans	60.5	97.4	165.9	-53.6	-176.2	-178.3	-162.3	0.6	118
279	R	34.9	Very low	40.8	Very low	247 Å²	247	185.3 Å²	185.3	93%	0.932	81%	0.813	S	S	*	*				-158.1	109.3	112.5	-132.6	172	-173.9	157.8	2.1	111.9
280	S	42	Very low	40.7	Very low	109 Å²	109	180.9 Å²	180.9	76%	0.762	81%	0.814	S	S	*	*			trans	-84.6	131.6	162.3	40.2	0	0	0	0	109.2
281	R	35.2	Very low	40.2	Very low	246 Å²	246	188.9 Å²	188.9	93%	0.928	83%	0.834	S	S	*	*			trans	-170.3	136.6	146.1	-108.3	163.7	-172	174.4	2.5	110.5
282	S	40.2	Very low	39.8	Very low	116 Å²	116	184.1 Å²	184.1	81%	0.811	83%	0.831	S	S	*	*			trans	-74.4	147.9	178.5	40.3	0	0	0	0	112
283	S	33.4	Very low	39.3	Very low	123 Å²	123	191.4 Å²	191.4	86%	0.86	85%	0.846	S	S	*	*			trans	-159.3	120.9	148.4	-167.8	0	0	0	0	109.4
284	S	42.5	Very low	38.6	Very low	109 Å²	109	186.6 Å²	186.6	76%	0.762	85%	0.845	S	S	*	*			trans	-90.2	139.9	179.3	-51.1	0	0	0	0	110.5
285	R	36.2	Very low	38.2	Very low	246 Å²	246	190.2 Å²	190.2	93%	0.928	85%	0.847	S	S	*	*			trans	-169.6	128.5	147.2	-109.5	154.4	-173	179.7	2.4	113
286	D	40.4	Very low	37.9	Very low	132 Å²	132	183.7 Å²	183.7	71%	0.706	83%	0.831	S	S	*	*			trans	-58.3	155.7	166.3	-64.5	-107.9	0	0	0	113.2
287	R	34.3	Very low	37.8	Very low	252 Å²	252	181.2 Å²	181.2	95%	0.951	82%	0.822	S	S	*	*				-159.8	108.4	126.6	-107.2	155	-169.1	-167.1	2	112
288	R	40	Very low	37.5	Very low	230 Å²	230	178 Å²	178	87%	0.868	81%	0.814	S	S	*	*			trans	-70	131.7	165.4	-54.6	177.5	-175.3	-169.4	0.3	109.5
289	R	33.1	Very low	37.4	Very low	229 Å²	229	176.5 Å²	176.5	86%	0.864	81%	0.808	S	S	*	*			trans	-164.4	119.9	138.6	-122.7	174.3	-176.1	166.4	3.8	113.1
290	S	42.1	Very low	37.5	Very low	114 Å²	114	174.6 Å²	174.6	80%	0.797	80%	0.801	S	S	*	*			trans	-83.2	141.8	158.9	45.6	0	0	0	0	109.9
291	R	33.4	Very low	37.3	Very low	234 Å²	234	176.6 Å²	176.6	88%	0.883	80%	0.798	S	S	*	*			trans	-158.3	161.5	153.2	-123.1	171.4	-176.6	157.5	2.9	111.7
292	S	36.2	Very low	37.4	Very low	97 Å²	97	175 Å²	175	68%	0.678	79%	0.792	S	S	*	*			trans	-131.7	165	-159.1	58.8	0	0	0	0	112.7
293	R	34.7	Very low	37.2	Very low	235 Å²	235	174.1 Å²	174.1	89%	0.887	79%	0.786	S	S	*	*			trans	62.3	118.2	164.3	-64.2	173.8	169.9	162.2	-3.9	117.6
294	S	33.9	Very low	37.4	Very low	114 Å²	114	179.5 Å²	179.5	80%	0.797	79%	0.787	S	S	*	*				162.4	119.7	117	-70.8	0	0	0	0	108.9
295	R	36.8	Very low	37.1	Very low	224 Å²	224	178.3 Å²	178.3	85%	0.845	78%	0.779	S	S	*	*				84.5	132.6	67.6	-118.1	-170.5	-173.1	169.1	1.6	113.2
296	D	37.2	Very low	36.9	Very low	107 Å²	107	177.2 Å²	177.2	57%	0.572	78%	0.775	S	S	*	*			trans	68.8	152	163.4	-69	-94.7	0	0	0	116.2
297	R	38.5	Very low	36.6	Very low	188 Å²	188	176 Å²	176	71%	0.709	78%	0.776	S	S	*	*			cis	-159.8	155.8	7.7	-127.7	153.1	-146	-174	3.5	113.7
298	K	40.5	Very low	36.5	Very low	158 Å²	158	174.7 Å²	174.7	69%	0.687	77%	0.772	S	S	*	*			trans	69	149.6	156.5	-65.9	160.6	-175.3	176.8	0	115.7
299	R	39.8	Very low	36.2	Very low	197 Å²	197	168.7 Å²	168.7	74%	0.743	77%	0.765	S	S	*	*			cis	-158.5	128.7	-1.8	-118.9	163.3	-172.9	170.3	-3.8	105.1
300	R	36.1	Very low	36.4	Very low	207 Å²	207	169.7 Å²	169.7	78%	0.781	77%	0.769	S	S	*	*				35.3	133.9	70.3	-71.9	-172.9	175.3	175.9	0.5	112.6
301	H	39.3	Very low	35.8	Very low	151 Å²	151	167.5 Å²	167.5	70%	0.699	76%	0.764	S	S	*	*			cis	-137.8	156.4	35.7	-65.9	-101.9	0	0	0	111
302	R	36.8	Very low	35.7	Very low	213 Å²	213	165.6 Å²	165.6	80%	0.804	77%	0.765	S	S	*	*				69.5	140.4	55.7	-122.1	-167	-169.4	174.9	2.7	112.4
303	S	36.8	Very low	35.6	Very low	97 Å²	97	170.7 Å²	170.7	68%	0.678	77%	0.769	S	S	*	*			cis	-125.9	-138.3	8.9	-54.1	0	0	0	0	110.7
304	R	35.7	Very low	35.4	Very low	236 Å²	236	166.8 Å²	166.8	89%	0.891	76%	0.761	S	S	*	*			cis	-161.7	163.7	-3	-143.2	170.8	-174.4	168.9	0.5	107.5
305	S	36.7	Very low	35.3	Very low	84 Å²	84	165.9 Å²	165.9	59%	0.587	75%	0.754	S	S	*	*				-160.4	147.4	-84.8	54.5	0	0	0	0	113.2
306	R	33.3	Very low	35	Very low	223 Å²	223	163.1 Å²	163.1	84%	0.842	75%	0.751	S	S	*	*			trans	97.4	152	170.2	-56.5	154.3	174.1	172.2	-5.6	114.6
307	S	32.7	Very low	34.6	Very low	106 Å²	106	165.6 Å²	165.6	74%	0.741	76%	0.759	S	S	*	*			cis	-129	140.8	15.7	-72.5	0	0	0	0	111.9
308	R	33.3	Very low	34.3	Very low	225 Å²	225	165 Å²	165	85%	0.849	76%	0.764	S	S	*	*				50.2	125.6	88	-68.7	-178.5	171.4	178.1	-5.3	113.1
309	S	34.2	Very low	33.8	Very low	104 Å²	104	162.8 Å²	162.8	73%	0.727	77%	0.769	S	S	*	*			cis	-153.1	164	31	-61.6	0	0	0	0	115.1
310	R	36	Very low	33.4	Very low	249 Å²	249	157.8 Å²	157.8	94%	0.94	76%	0.764	S	S	*	*			trans	29.6	133.3	152.3	-62.4	171.2	175.2	155.2	-4.4	119.4
311	G	30.2	Very low	33.1	Very low	68 Å²	68	158.1 Å²	158.1	70%	0.701	77%	0.765	S	S	*	*			cis	104.3	113.7	15	0	0	0	0	0	111.4
312	H	31.5	Very low	32.7	Very low	195 Å²	195	158.8 Å²	158.8	90%	0.903	77%	0.768	S	S	*	*				-160.1	163.3	94	-121.7	-93.5	0	0	0	116.3
313	R	32.9	Very low	32.4	Very low	204 Å²	204	158.5 Å²	158.5	77%	0.77	77%	0.773	S	S	*	*			trans	-105.2	163	156.9	-62.2	177	176.7	176.8	-3	107.8
314	H	31.6	Very low	31.9	Very low	153 Å²	153	158.9 Å²	158.9	71%	0.708	78%	0.775	S	S	*	*				-168	142.1	54.3	-104.2	-64.8	0	0	0	108.5
315	S	31.3	Very low	31.6	Very low	95 Å²	95	152.5 Å²	152.5	66%	0.664	77%	0.767	S	S	*	*				79.9	136.1	82.9	-64.7	0	0	0	0	117.7
316	H	30.2	Very low	31.4	Very low	166 Å²	166	159.9 Å²	159.9	77%	0.769	78%	0.782	S	S	*	*			trans	67.3	152.2	167.4	-89.4	-63.3	0	0	0	117.3
317	E	30.2	Very low	31.4	Very low	158 Å²	158	156 Å²	156	74%	0.738	78%	0.778	S	S	*	*			cis	-145.2	-170.1	-8.2	-167.9	137.3	-138.2	0	0	111.2
318	Q	31.6	Very low	31.4	Very low	176 Å²	176	162.9 Å²	162.9	82%	0.822	79%	0.787	S	S	*	*			trans	-86.8	-179.9	-177.2	-60.7	176.9	-22.2	0	0	113.6
319	S	29.7	Very low	31.3	Very low	112 Å²	112	160.6 Å²	160.6	78%	0.783	79%	0.786	S	S	*	*			trans	90.7	141.3	167	-160.4	0	0	0	0	115.7
320	S	31.3	Very low	31.2	Very low	91 Å²	91	167 Å²	167	64%	0.636	80%	0.795	S	S	*	*			cis	168.5	161.3	-41.2	60.7	0	0	0	0	107.1
321	R	30.6	Very low	30.8	Very low	214 Å²	214	160.3 Å²	160.3	81%	0.808	79%	0.786	S	S	*	*			trans	72.8	100.2	164.9	-61.7	-177.8	165.3	173.8	-3.3	119.8
322	H	30	Very low	30.8	Very low	165 Å²	165	162 Å²	162	76%	0.764	79%	0.787	S	S	*	*				65.3	139.8	116.3	-59.7	-51.4	0	0	0	123.3
323	K	29.7	Very low	30.8	Very low	208 Å²	208	163.5 Å²	163.5	90%	0.904	79%	0.785	S	S	*	*			trans	69.5	153.3	155.5	-69.8	174	179.6	-173.8	0	115
324	S	27.1	Very low	30.7	Very low	104 Å²	104	159.7 Å²	159.7	73%	0.727	78%	0.78	S	S	*	*			cis	-142.9	160.2	0.4	-170	0	0	0	0	111.1
325	S	30.4	Very low	30.7	Very low	102 Å²	102	164.4 Å²	164.4	71%	0.713	79%	0.791	S	S	*	*			trans	-50.9	142.9	164.5	3.5	0	0	0	0	113.6
326	R	31.4	Very low	30.7	Very low	239 Å²	239	164.6 Å²	164.6	90%	0.902	79%	0.793	S	S	*	*				-172.9	156	114.4	-106.2	172.1	176.4	152.5	-0.8	114.1
327	D	33.9	Very low	30.9	Very low	143 Å²	143	168.4 Å²	168.4	77%	0.765	80%	0.8	S	S	*	*			trans	-73.8	156.7	-179.3	-38.1	-98.4	0	0	0	112.6
328	R	32.7	Very low	31	Very low	249 Å²	249	167 Å²	167	94%	0.94	80%	0.798	S	S	*	*			trans	-169.7	127	138.2	-108.1	158.5	-171.5	174.6	2	112.4
329	E	31.5	Very low	31.2	Very low	178 Å²	178	170.5 Å²	170.5	83%	0.832	80%	0.804	S	S	*	*			trans	-71.9	146.4	161.2	-51.2	179.3	134.9	0	0	110.4
330	R	31.3	Very low	31.5	Very low	238 Å²	238	172.1 Å²	172.1	90%	0.898	80%	0.804	S	S	*	*				-177.9	136.7	110.2	-101.5	179.9	173.2	-165.2	-3.2	113.6
331	S	28.2	Very low	31.6	Very low	109 Å²	109	177.8 Å²	177.8	76%	0.762	82%	0.817	S	S	*	*			trans	-9.1	132.9	148.6	-172.1	0	0	0	0	117.8
332	S	30.2	Very low	31.7	Very low	104 Å²	104	178.4 Å²	178.4	73%	0.727	82%	0.819	S	S	*	*				179.4	138.5	89.9	51.6	0	0	0	0	116.4
333	R	30.8	Very low	31.9	Very low	225 Å²	225	177.8 Å²	177.8	85%	0.849	82%	0.821	S	S	*	*			trans	52.6	129.6	141.6	-77	-169.5	169	132.3	-0	123.8
334	D	30.8	Very low	32.1	Very low	124 Å²	124	173.8 Å²	173.8	66%	0.663	82%	0.82	S	S	*	*			trans	62.1	113.4	135.9	-66.2	-67.2	0	0	0	121.7
335	R	31.7	Very low	32.5	Very low	252 Å²	252	178 Å²	178	95%	0.951	83%	0.83	S	S	*	*				-163.2	142.7	100.9	-105.5	166.5	-179.4	168.3	1.4	114
336	S	31.1	Very low	32.8	Very low	99 Å²	99	181 Å²	181	69%	0.692	84%	0.838	S	S	*	*			trans	-69.1	154.5	-177.3	-31.6	0	0	0	0	113.9
337	R	34.7	Very low	32.8	Very low	246 Å²	246	172.7 Å²	172.7	93%	0.928	83%	0.827	S	S	*	*			trans	-156.7	135.8	133.9	-120.7	171.8	-174.6	166.5	3	113
338	D	33.2	Very low	32.8	Very low	130 Å²	130	177.6 Å²	177.6	70%	0.695	84%	0.835	S	S	*	*			trans	-83.7	157	-166.3	-40.7	-92.6	0	0	0	112.4
339	R	35.6	Very low	32.9	Very low	249 Å²	249	171.8 Å²	171.8	94%	0.94	83%	0.833	S	S	*	*			trans	-159.8	93.1	151.1	-119.6	173	-169.1	-176.1	3.3	112.4
340	D	34.5	Very low	33.1	Very low	146 Å²	146	170 Å²	170	78%	0.781	83%	0.829	S	S	*	*			trans	-58.3	144	164.1	-68	-76.3	0	0	0	112.1
341	K	34.1	Very low	33.3	Very low	210 Å²	210	163.8 Å²	163.8	91%	0.913	82%	0.821	S	S	*	*			trans	-161.3	82.4	148	-116.1	-179.8	-178	-168.2	0	110.8
342	R	34	Very low	33.8	Very low	226 Å²	226	169.3 Å²	169.3	85%	0.853	83%	0.826	S	S	*	*			trans	-93.8	136	150.5	-67.6	-173.4	175.2	-152.5	-0.6	108
343	D	33.3	Very low	34.1	Very low	152 Å²	152	176.7 Å²	176.7	81%	0.813	84%	0.837	S	S	*	*				163.7	127	117.8	-86.1	-15.5	0	0	0	111.4
344	S	33.4	Very low	34.4	Very low	124 Å²	124	169 Å²	169	87%	0.867	83%	0.828	S	S	*	*			trans	176.2	69.4	147	-78.3	0	0	0	0	109.1
345	M	36.2	Very low	34.8	Very low	193 Å²	193	171.9 Å²	171.9	95%	0.951	84%	0.838	S	S	*	*			trans	-74.1	133.7	146.9	-85	-174.7	163.7	0	0	107.1
346	N	36.5	Very low	35.2	Very low	164 Å²	164	169.1 Å²	169.1	88%	0.877	84%	0.836	S	S	*	*			trans	-148	121.7	159.1	-151.6	-5.7	0	0	0	109.4
347	G	32.1	Very low	35.8	Very low	65 Å²	65	175.6 Å²	175.6	67%	0.67	85%	0.845	S	S	*	*			trans	-87.2	152.2	-176.1	0	0	0	0	0	112.2
348	R	33.6	Very low	36.1	Very low	247 Å²	247	171.8 Å²	171.8	93%	0.932	84%	0.843	S	S	*	*			trans	-135.3	96.2	159.5	-85.8	-167.5	168.7	-162.5	-4	110.4
349	S	33.7	Very low	36.8	Very low	127 Å²	127	170.4 Å²	170.4	89%	0.888	85%	0.85	S	S	*	*			trans	-70.8	129.2	150.7	50.1	0	0	0	0	108.9
350	D	36	Very low	37.1	Very low	140 Å²	140	162.2 Å²	162.2	75%	0.749	84%	0.843	S	S	*	*			trans	-137.3	151.2	163.4	-157.7	-26.2	0	0	0	107.9
351	S	35.5	Very low	37.4	Very low	107 Å²	107	158.4 Å²	158.4	75%	0.748	84%	0.838	S	S	*	*			trans	-145.9	106.9	-157.5	57.7	0	0	0	0	112.8
352	R	39	Very low	38	Very low	225 Å²	225	155.5 Å²	155.5	85%	0.849	83%	0.832	S	S	*	*			trans	-143	125.1	168.9	-56.8	-175.5	-175.2	-158.5	-2.2	105.7
353	R	35.7	Very low	38.4	Very low	259 Å²	259	158.1 Å²	158.1	98%	0.977	85%	0.851	S	S	*	*			cis	68.3	118	38.9	-138.5	-178.3	-158.9	-127.6	3.6	111.7
354	G	36.9	Very low	38.6	Very low	64 Å²	64	158.5 Å²	158.5	66%	0.66	85%	0.853	S	S	*	*			trans	144.6	69.3	-160.1	0	0	0	0	0	107.2
355	E	41	Very low	38.9	Very low	185 Å²	185	160.3 Å²	160.3	86%	0.864	85%	0.852	S	S	*	*				89.1	111	88.8	-83.1	-170.3	143.8	0	0	111.3
356	E	39.6	Very low	39.1	Very low	193 Å²	193	158.4 Å²	158.4	90%	0.902	85%	0.846	S	S	*	*			trans	-68.7	146.5	168.2	-64.8	153.1	123.2	0	0	109.7
357	R	44	Very low	39.2	Very low	235 Å²	235	158.1 Å²	158.1	89%	0.887	85%	0.845	S	S	*	*			trans	-137.4	120.6	159.4	-79.6	-163.7	172.4	-147.1	-4	110.4
358	D	40.9	Very low	39.7	Very low	166 Å²	166	163.9 Å²	163.9	89%	0.888	86%	0.855	S	S	*	*			trans	-52.5	145.4	161.4	-87.8	-70.6	0	0	0	111.9
359	A	47.6	Very low	40.1	Very low	101 Å²	101	158.4 Å²	158.4	84%	0.835	85%	0.85	S	S	*	*			trans	-145.9	59.3	167.8	0	0	0	0	0	109.7
360	G	40.8	Very low	40.5	Very low	77 Å²	77	160.6 Å²	160.6	79%	0.794	85%	0.848	S	S	*	*			trans	-77.7	144.9	158.4	0	0	0	0	0	110.2
361	G	41.8	Very low	40.9	Very low	66 Å²	66	162.2 Å²	162.2	68%	0.68	86%	0.855	S	S	*	*			trans	152.9	91.9	176.6	0	0	0	0	0	114
362	D	46.6	Very low	41.3	Very low	149 Å²	149	166.8 Å²	166.8	80%	0.797	86%	0.864	S	S	*	*			trans	30.2	106.2	140.8	-43.2	-38.1	0	0	0	119
363	F	41.9	Very low	41.5	Very low	282 Å²	282	161.5 Å²	161.5	100%	1.237	87%	0.866	S	S	*	*				-173.1	0	91.2	-111.4	-82	0	0	0	113.1

Retrieved 363 of 363 residues in 583.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).