A0A096MXE1_PAPAN Loading...

Syntaxin-1A

Plays an essential role in hormone and neurotransmitter calcium-dependent exocytosis and endocytosis. Part of the SNARE (Soluble NSF Attachment Receptor) complex composed of SNAP25, STX1A and VAMP2 which mediates the fusion of synaptic vesicles with the presynaptic plasma membrane. STX1A and SNAP25 are localized on the plasma membrane while VAMP2 resides in synaptic vesicles. The pairing of the three SNAREs from the N-terminal SNARE motifs to the C-terminal anchors leads to the formation of the SNARE complex, which brings membranes into close proximity and results in final fusion. Participates in the calcium-dependent regulation of acrosomal exocytosis in sperm. Also plays an important role in the exocytosis of hormones such as insulin or glucagon-like peptide 1 (GLP-1).

AlphaFold DB (A0A0D9S008), UniProt , Accession A0A096MXE1, Species PAPAN (Papio anubis, Olive baboon), Gene STX1A, Length 288 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	46.6	Very low	67.6	Low	247 Å²	247	140.8 Å²	140.8	100%	1.217	68%	0.684	S	S	*	*				0	132.1	0	-96.5	172.1	174.2	0	0	108.2
2	K	64.4	Low	66.6	Low	198 Å²	198	143 Å²	143	86%	0.861	69%	0.688	S	S	*	*			trans	-76.3	135.6	171.2	-75.2	173.9	177.3	171.4	0	108.2	R4	K2-R4 PolarHBondContact O-N 3.21Å
3	D	71.3	Confident	65.6	Low	128 Å²	128	143.9 Å²	143.9	68%	0.684	70%	0.698	S	S	*	*			trans	-65.9	115.4	-179.8	-172	0.2	0	0	0	110	T5	D3-T5 VanDerWaalsContact CG-OG1 3.25Å; D3-T5 WeakPolarHBondContact OD1-CB 3.38Å; D3-T5 WeakPolarHBondContact OD1-CG2 3.48Å; D3-T5 PolarHBondContact OD1-N 3.44Å; D3-T5 PolarHBondContact OD1-OG1 3.08Å; D3-T5 PolarHBondContact OD2-OG1 3.49Å
4	R	79	Confident	64.9	Low	164 Å²	164	140.1 Å²	140.1	62%	0.619	69%	0.694	S	S	*	*			trans	-111.3	13	177.8	-66.5	-179.7	70.1	-169.2	0.2	111.9	K2 Q6 E7 L8	K2-R4 PolarHBondContact O-N 3.21Å; R4-Q6 PolarHBondContact O-N 3.33Å; R4-Q6 VanDerWaalsContact O-N 3.15Å; R4-E7 IonicContact CZ-OE2 2.59Å; R4-E7 IonicContact NE-OE1 3.88Å; R4-E7 IonicContact NE-OE2 3.03Å; R4-E7 PolarHBondContact NE-OE2 3.19Å; R4-E7 IonicContact NH2-OE2 2.58Å; R4-E7 PolarHBondContact NH2-OE2 3.09Å; R4-E7 PolarHBondContact O-N 3.36Å; R4-E7 VanDerWaalsContact O-N 3.12Å; R4-L8 PolarHBondContact O-N 2.72Å
5	T	77.3	Confident	63.8	Low	78 Å²	78	140 Å²	140	48%	0.479	70%	0.697	S	S	.	*	H	α-helix	trans	-59	-26.8	178.1	46.5	0	0	0	0	112.8	D3 L8 R9	D3-T5 VanDerWaalsContact CG-OG1 3.25Å; D3-T5 WeakPolarHBondContact OD1-CB 3.38Å; D3-T5 WeakPolarHBondContact OD1-CG2 3.48Å; D3-T5 PolarHBondContact OD1-N 3.44Å; D3-T5 PolarHBondContact OD1-OG1 3.08Å; D3-T5 PolarHBondContact OD2-OG1 3.49Å; T5-L8 PolarHBondContact O-N 3.25Å; T5-R9 PolarHBondContact O-N 3.03Å
6	Q	71.4	Confident	62.8	Low	161 Å²	161	142 Å²	142	75%	0.752	71%	0.711	S	S	*	*	H	α-helix	trans	-69.2	-37.2	177.6	-139.9	172.3	8.1	0	0	112.8	R4 L8 R9 T10	R4-Q6 PolarHBondContact O-N 3.33Å; R4-Q6 VanDerWaalsContact O-N 3.15Å; Q6-L8 VanDerWaalsContact C-N 3.3Å; Q6-L8 PolarHBondContact O-N 3.19Å; Q6-R9 PolarHBondContact O-N 3.37Å; Q6-T10 PolarHBondContact O-N 2.98Å; Q6-T10 PolarHBondContact O-OG1 3.27Å
7	E	74.7	Confident	62.1	Low	101 Å²	101	142.5 Å²	142.5	47%	0.472	72%	0.716	S	S	.	*	H	α-helix	trans	-67.1	-32.5	177.2	-66.1	176.9	-170.4	0	0	111.9	R4 T10 A11	R4-E7 IonicContact CZ-OE2 2.59Å; R4-E7 IonicContact NE-OE1 3.88Å; R4-E7 IonicContact NE-OE2 3.03Å; R4-E7 PolarHBondContact NE-OE2 3.19Å; R4-E7 IonicContact NH2-OE2 2.58Å; R4-E7 PolarHBondContact NH2-OE2 3.09Å; R4-E7 PolarHBondContact O-N 3.36Å; R4-E7 VanDerWaalsContact O-N 3.12Å; E7-T10 WeakPolarHBondContact CA-OG1 3.41Å; E7-T10 PolarHBondContact O-OG1 3.06Å; E7-A11 PolarHBondContact O-N 3.48Å
8	L	66.3	Low	61.2	Low	124 Å²	124	143.3 Å²	143.3	65%	0.649	72%	0.723	S	S	*	*	H	α-helix	trans	-71.1	-31.5	176.6	-71.5	166	0	0	0	112.7	R4 T5 Q6 K12	R4-L8 PolarHBondContact O-N 2.72Å; T5-L8 PolarHBondContact O-N 3.25Å; Q6-L8 VanDerWaalsContact C-N 3.3Å; Q6-L8 PolarHBondContact O-N 3.19Å; L8-K12 PolarHBondContact O-N 3.4Å
9	R	66.9	Low	60.2	Low	193 Å²	193	142.1 Å²	142.1	73%	0.728	72%	0.719	S	S	*	*	H	α-helix	trans	-69.2	-42.7	175.4	-70.7	-177.5	-179.4	-171.9	0.8	111.4	T5 Q6 A11 K12	T5-R9 PolarHBondContact O-N 3.03Å; Q6-R9 PolarHBondContact O-N 3.37Å; R9-A11 VanDerWaalsContact C-N 3.26Å; R9-A11 PolarHBondContact O-N 2.89Å; R9-K12 PolarHBondContact O-N 2.87Å
10	T	65.1	Low	59.7	Low	102 Å²	102	141 Å²	141	63%	0.626	72%	0.72	S	S	*	*	H	α-helix	trans	-66.2	-26.2	176.7	38.2	0	0	0	0	113.9	Q6 E7	Q6-T10 PolarHBondContact O-N 2.98Å; Q6-T10 PolarHBondContact O-OG1 3.27Å; E7-T10 WeakPolarHBondContact CA-OG1 3.41Å; E7-T10 PolarHBondContact O-OG1 3.06Å
11	A	60.5	Low	58.7	Low	53 Å²	53	138.8 Å²	138.8	44%	0.438	71%	0.713	S	S	.	*	H	α-helix	trans	-81.9	-19.3	175	0	0	0	0	0	113.4	E7 R9 S14	E7-A11 PolarHBondContact O-N 3.48Å; R9-A11 VanDerWaalsContact C-N 3.26Å; R9-A11 PolarHBondContact O-N 2.89Å; A11-S14 PolarHBondContact O-OG 3.24Å
12	K	55.3	Low	58.7	Low	167 Å²	167	132.3 Å²	132.3	73%	0.726	69%	0.687	S	S	*	*	H	α-helix	trans	-77.7	-24.4	-179.2	-158.9	179.7	-179.5	-172.3	0	112.7	L8 R9 S14	L8-K12 PolarHBondContact O-N 3.4Å; R9-K12 PolarHBondContact O-N 2.87Å; K12-S14 PolarHBondContact O-N 2.9Å
13	D	53.8	Low	57.4	Low	155 Å²	155	128.2 Å²	128.2	83%	0.829	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.9	0.3	178.1	-71.8	-16.7	0	0	0	113.4
14	S	56.2	Low	56.4	Low	91 Å²	91	127.7 Å²	127.7	64%	0.636	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.8	-5.1	-175.9	55.3	0	0	0	0	116.5	A11 K12	A11-S14 PolarHBondContact O-OG 3.24Å; K12-S14 PolarHBondContact O-N 2.9Å
15	D	48	Very low	54.8	Low	138 Å²	138	126.3 Å²	126.3	74%	0.738	69%	0.685	S	S	*	*	S	Bend	trans	-116.1	119.8	177.3	-81.3	-23.4	0	0	0	110
16	D	48.2	Very low	53.3	Low	172 Å²	172	133.6 Å²	133.6	92%	0.92	70%	0.703	S	S	*	*			trans	-51.9	135	176.1	-86.5	-41.4	0	0	0	112	D18	D16-D18 PolarHBondContact O-N 3.08Å
17	D	50	Low	52.4	Low	150 Å²	150	132.8 Å²	132.8	80%	0.802	70%	0.704	S	S	*	*			trans	-47.2	112	179.6	-88.8	-40.6	0	0	0	114.3
18	D	46.2	Very low	52.1	Low	158 Å²	158	136.6 Å²	136.6	85%	0.845	72%	0.715	S	S	*	*			trans	-118.8	80.8	138.3	-99.6	-28.6	0	0	0	106.2	D16 V20	D16-D18 PolarHBondContact O-N 3.08Å; D18-V20 PolarHBondContact O-N 3.44Å
19	D	42.7	Very low	52.7	Low	120 Å²	120	136.7 Å²	136.7	64%	0.642	71%	0.71	S	S	*	*			trans	-66.3	83.9	172.4	-171.8	33.4	0	0	0	108.8	T21	D19-T21 PolarHBondContact O-N 3.41Å; D19-T21 WeakPolarHBondContact OD2-CG2 3.49Å
20	V	49.7	Very low	53.4	Low	120 Å²	120	128.5 Å²	128.5	73%	0.727	68%	0.68	S	S	*	*			trans	-70.7	85.9	161.2	-175.2	0	0	0	0	105.6	D18 V22	D18-V20 PolarHBondContact O-N 3.44Å; V20-V22 VanDerWaalsContact C-N 3.25Å; V20-V22 PolarHBondContact O-N 3.21Å
21	T	39	Very low	54.5	Low	95 Å²	95	126.8 Å²	126.8	58%	0.583	67%	0.667	S	S	*	*			trans	-58.5	95.2	167.3	51.6	0	0	0	0	107.6	D19 T23	D19-T21 PolarHBondContact O-N 3.41Å; D19-T21 WeakPolarHBondContact OD2-CG2 3.49Å; T21-T23 VanDerWaalsContact C-N 3.27Å; T21-T23 PolarHBondContact O-N 3Å
22	V	46.8	Very low	55.9	Low	111 Å²	111	131.2 Å²	131.2	67%	0.673	68%	0.679	S	S	*	*			trans	-63.5	101.4	159.9	179.3	0	0	0	0	104.1	V20 V24	V20-V22 VanDerWaalsContact C-N 3.25Å; V20-V22 PolarHBondContact O-N 3.21Å; V22-V24 HydrophobicContact CG1-CG2 4.05Å; V22-V24 PolarHBondContact O-N 3.26Å
23	T	37.2	Very low	57.6	Low	112 Å²	112	123.4 Å²	123.4	69%	0.687	65%	0.645	S	S	*	*			trans	-61.7	87.9	164.2	48.9	0	0	0	0	105.9	T21 D25	T21-T23 VanDerWaalsContact C-N 3.27Å; T21-T23 PolarHBondContact O-N 3Å; T23-D25 PolarHBondContact O-N 3.15Å
24	V	49.8	Very low	59.4	Low	117 Å²	117	119.1 Å²	119.1	71%	0.709	62%	0.619	S	S	*	*			trans	-66.3	91.6	161.9	-178.2	0	0	0	0	103.1	V22 R26	V22-V24 HydrophobicContact CG1-CG2 4.05Å; V22-V24 PolarHBondContact O-N 3.26Å; V24-R26 VanDerWaalsContact C-N 3.26Å; V24-R26 PolarHBondContact O-N 3.41Å
25	D	45	Very low	61.2	Low	134 Å²	134	121 Å²	121	72%	0.717	62%	0.618	S	S	*	*			trans	-52.3	104.7	165.5	-89.2	-40.3	0	0	0	105.5	T23 D27	T23-D25 PolarHBondContact O-N 3.15Å; D25-D27 PolarHBondContact O-N 3.42Å
26	R	45.6	Very low	63.4	Low	231 Å²	231	117.4 Å²	117.4	87%	0.872	60%	0.596	S	S	*	*			trans	-78.9	30.9	178.9	-165.5	-179.7	154.5	-165.4	-5.9	109.3	V24 R28	V24-R26 VanDerWaalsContact C-N 3.26Å; V24-R26 PolarHBondContact O-N 3.41Å; R26-R28 PolarHBondContact O-N 3.04Å
27	D	53.8	Low	65.6	Low	145 Å²	145	109.8 Å²	109.8	78%	0.775	56%	0.556	S	S	*	*	S	Bend	trans	-73.3	108.4	154.9	-88	-12.5	0	0	0	105.2	D25 F29	D25-D27 PolarHBondContact O-N 3.42Å; D27-F29 PolarHBondContact O-N 3.16Å
28	R	67.7	Low	67.8	Low	181 Å²	181	109.3 Å²	109.3	68%	0.683	55%	0.549	S	S	*	.			trans	-48.8	110.2	-167.2	-61.7	167.5	-155.2	-179.7	7.9	110.4	R26 M30 D31	R26-R28 PolarHBondContact O-N 3.04Å; R28-M30 PolarHBondContact O-N 3.36Å; R28-M30 VanDerWaalsContact O-N 3.07Å; R28-D31 HydrophobicContact CB-CB 3.58Å; R28-D31 VanDerWaalsContact CD-OD1 3.29Å; R28-D31 WeakPolarHBondContact CD-OD1 3.34Å; R28-D31 WeakPolarHBondContact CD-OD2 3.32Å; R28-D31 IonicContact CZ-OD2 2.86Å; R28-D31 IonicContact NE-OD2 2.57Å; R28-D31 IonicContact NH1-OD2 2.74Å; R28-D31 PolarHBondContact NH1-OD2 2.98Å; R28-D31 PolarHBondContact O-N 3.48Å
29	F	79.3	Confident	70.2	Confident	126 Å²	126	105.5 Å²	105.5	55%	0.553	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	115.8	179.4	172.5	-101.8	0	0	0	110.4	D27 D31 F34 I115	D27-F29 PolarHBondContact O-N 3.16Å; F29-D31 VanDerWaalsContact C-N 3.28Å; F29-D31 PolarHBondContact O-N 2.93Å; F29-F34 HydrophobicContact CD1-CE2 4.33Å; F29-I115 HydrophobicContact CE1-CD1 3.67Å; F29-I115 HydrophobicContact CZ-CD1 3.85Å
30	M	81.8	Confident	72.8	Confident	21 Å²	21	99.8 Å²	99.8	10%	0.103	50%	0.496	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.5	29.7	179.3	-52.4	-162.2	-44.4	0	0	116	R28 E32 F33 F34 D112 I115	R28-M30 PolarHBondContact O-N 3.36Å; R28-M30 VanDerWaalsContact O-N 3.07Å; M30-E32 VanDerWaalsContact C-N 3.33Å; M30-E32 PolarHBondContact O-N 3.23Å; M30-F33 HydrophobicContact CB-CB 4.22Å; M30-F33 HydrophobicContact CE-CD1 3.81Å; M30-F33 HydrophobicContact CE-CE1 4.28Å; M30-F33 WeakPolarHBondContact O-CB 3.39Å; M30-F33 PolarHBondContact O-N 3.24Å; M30-F33 HydrophobicContact SD-CD1 4.42Å; M30-F34 HydrophobicContact CB-CD2 3.93Å; M30-F34 HydrophobicContact CB-CE2 3.79Å; M30-F34 HydrophobicContact CE-CD2 4.39Å; M30-F34 HydrophobicContact CE-CE1 4.13Å; M30-F34 HydrophobicContact CE-CE2 3.53Å; M30-F34 HydrophobicContact CE-CZ 3.37Å; M30-F34 VanDerWaalsContact O-CD2 3.27Å; M30-F34 WeakPolarHBondContact O-CD2 3.06Å; M30-F34 PolarHBondContact O-N 3.23Å; M30-D112 VanDerWaalsContact CG-OD1 3.27Å; M30-D112 WeakPolarHBondContact CG-OD1 3.48Å; M30-D112 HydrophobicContact SD-CB 3.92Å; M30-I115 HydrophobicContact CE-CB 3.68Å; M30-I115 HydrophobicContact CE-CD1 3.68Å; M30-I115 HydrophobicContact CE-CG1 4.29Å; M30-I115 HydrophobicContact CE-CG2 3.39Å; M30-I115 HydrophobicContact SD-CB 4.49Å; M30-I115 HydrophobicContact SD-CD1 4.4Å
31	D	88.9	Confident	75	Confident	66 Å²	66	100.6 Å²	100.6	35%	0.353	49%	0.486	S	S	.	.	H	α-helix	trans	-52.2	-48.1	-175.8	-147.8	48	0	0	0	113	R28 F29 F33 F34 E35	R28-D31 HydrophobicContact CB-CB 3.58Å; R28-D31 VanDerWaalsContact CD-OD1 3.29Å; R28-D31 WeakPolarHBondContact CD-OD1 3.34Å; R28-D31 WeakPolarHBondContact CD-OD2 3.32Å; R28-D31 IonicContact CZ-OD2 2.86Å; R28-D31 IonicContact NE-OD2 2.57Å; R28-D31 IonicContact NH1-OD2 2.74Å; R28-D31 PolarHBondContact NH1-OD2 2.98Å; R28-D31 PolarHBondContact O-N 3.48Å; F29-D31 VanDerWaalsContact C-N 3.28Å; F29-D31 PolarHBondContact O-N 2.93Å; D31-F33 VanDerWaalsContact C-N 3.29Å; D31-F33 PolarHBondContact O-N 2.94Å; D31-F34 PolarHBondContact O-N 3.28Å; D31-F34 VanDerWaalsContact O-N 3.16Å; D31-E35 WeakPolarHBondContact O-CB 3.47Å; D31-E35 PolarHBondContact O-N 3.32Å
32	E	89.3	Confident	77.8	Confident	145 Å²	145	97.9 Å²	97.9	68%	0.678	48%	0.477	S	S	*	.	H	α-helix	trans	-60.8	-38.4	179.8	-175.1	-178.6	-178.3	0	0	112	M30 Q36	M30-E32 VanDerWaalsContact C-N 3.33Å; M30-E32 PolarHBondContact O-N 3.23Å; E32-Q36 WeakPolarHBondContact O-CG 3.49Å; E32-Q36 PolarHBondContact O-N 3.48Å; E32-Q36 VanDerWaalsContact O-N 3.13Å
33	F	90	Very high	80.3	Confident	4 Å²	4	94.8 Å²	94.8	2%	0.018	45%	0.454	C	S	.	.	H	α-helix	trans	-70.4	-41	177	173.5	-104.1	0	0	0	111.4	M30 D31 E35 Q36 V37 I96 I115 R116 Q119	M30-F33 HydrophobicContact CB-CB 4.22Å; M30-F33 HydrophobicContact CE-CD1 3.81Å; M30-F33 HydrophobicContact CE-CE1 4.28Å; M30-F33 WeakPolarHBondContact O-CB 3.39Å; M30-F33 PolarHBondContact O-N 3.24Å; M30-F33 HydrophobicContact SD-CD1 4.42Å; D31-F33 VanDerWaalsContact C-N 3.29Å; D31-F33 PolarHBondContact O-N 2.94Å; F33-E35 VanDerWaalsContact C-N 3.34Å; F33-Q36 WeakPolarHBondContact O-CB 3.5Å; F33-Q36 PolarHBondContact O-N 2.71Å; F33-V37 HydrophobicContact CD1-CG2 4.25Å; F33-V37 HydrophobicContact CE1-CG2 3.7Å; F33-V37 HydrophobicContact CE2-CG2 4.01Å; F33-V37 HydrophobicContact CZ-CG2 3.54Å; F33-V37 WeakPolarHBondContact O-CG2 3.44Å; F33-V37 PolarHBondContact O-N 2.93Å; F33-I96 HydrophobicContact CE2-CD1 4.09Å; F33-I96 HydrophobicContact CE2-CG1 4.26Å; F33-I96 HydrophobicContact CE2-CG2 3.99Å; F33-I115 HydrophobicContact CE1-CG2 4.3Å; F33-R116 HydrophobicContact CD1-CG 4.37Å; F33-R116 HydrophobicContact CD2-CG 4.08Å; F33-R116 HydrophobicContact CE1-CG 4.13Å; F33-R116 HydrophobicContact CE2-CB 4.26Å; F33-R116 HydrophobicContact CE2-CG 3.83Å; F33-R116 HydrophobicContact CG-CG 4.34Å; F33-R116 HydrophobicContact CZ-CB 4.11Å; F33-R116 HydrophobicContact CZ-CG 3.87Å; F33-Q119 HydrophobicContact CE1-CB 4.06Å; F33-Q119 HydrophobicContact CE1-CG 3.98Å; F33-Q119 HydrophobicContact CZ-CB 3.79Å; F33-Q119 HydrophobicContact CZ-CG 4.24Å
34	F	92.9	Very high	83.1	Confident	65 Å²	65	89.7 Å²	89.7	29%	0.285	42%	0.422	S	S	.	.	H	α-helix	trans	-67.3	-35.4	176.6	-73.2	-59.3	0	0	0	112.3	F29 M30 D31 Q36 V37 E38 I115	F29-F34 HydrophobicContact CD1-CE2 4.33Å; M30-F34 HydrophobicContact CB-CD2 3.93Å; M30-F34 HydrophobicContact CB-CE2 3.79Å; M30-F34 HydrophobicContact CE-CD2 4.39Å; M30-F34 HydrophobicContact CE-CE1 4.13Å; M30-F34 HydrophobicContact CE-CE2 3.53Å; M30-F34 HydrophobicContact CE-CZ 3.37Å; M30-F34 VanDerWaalsContact O-CD2 3.27Å; M30-F34 WeakPolarHBondContact O-CD2 3.06Å; M30-F34 PolarHBondContact O-N 3.23Å; D31-F34 PolarHBondContact O-N 3.28Å; D31-F34 VanDerWaalsContact O-N 3.16Å; F34-Q36 VanDerWaalsContact C-N 3.33Å; F34-Q36 PolarHBondContact O-N 3.21Å; F34-V37 PolarHBondContact O-N 3.26Å; F34-E38 WeakPolarHBondContact O-CG 3.37Å; F34-E38 PolarHBondContact O-N 3.04Å; F34-I115 HydrophobicContact CE1-CG2 4.26Å; F34-I115 HydrophobicContact CZ-CG2 4.19Å
35	E	94.1	Very high	85.4	Confident	131 Å²	131	88 Å²	88	61%	0.612	41%	0.41	S	S	*	.	H	α-helix	trans	-60	-43.7	171.6	-171.7	175.1	-173.4	0	0	111	D31 F33 V37 E38 E39	D31-E35 WeakPolarHBondContact O-CB 3.47Å; D31-E35 PolarHBondContact O-N 3.32Å; F33-E35 VanDerWaalsContact C-N 3.34Å; E35-V37 PolarHBondContact O-N 3Å; E35-E38 PolarHBondContact O-N 2.86Å; E35-E39 WeakPolarHBondContact O-CB 3.42Å; E35-E39 PolarHBondContact O-N 2.86Å
36	Q	94.1	Very high	87.9	Confident	61 Å²	61	85.6 Å²	85.6	29%	0.285	39%	0.393	S	S	.	.	H	α-helix	trans	-62.1	-41.5	173.4	-71.5	-178.6	-13.7	0	0	112.8	E32 F33 F34 E39 I40	E32-Q36 WeakPolarHBondContact O-CG 3.49Å; E32-Q36 PolarHBondContact O-N 3.48Å; E32-Q36 VanDerWaalsContact O-N 3.13Å; F33-Q36 WeakPolarHBondContact O-CB 3.5Å; F33-Q36 PolarHBondContact O-N 2.71Å; F34-Q36 VanDerWaalsContact C-N 3.33Å; F34-Q36 PolarHBondContact O-N 3.21Å; Q36-E39 PolarHBondContact O-N 2.95Å; Q36-I40 WeakPolarHBondContact O-CD1 3.4Å; Q36-I40 VanDerWaalsContact O-CG1 3.23Å; Q36-I40 WeakPolarHBondContact O-CG1 2.99Å; Q36-I40 PolarHBondContact O-N 3.31Å
37	V	94.3	Very high	90.4	Very high	12 Å²	12	74.6 Å²	74.6	7%	0.073	35%	0.351	C	S	.	.	H	α-helix	trans	-63.3	-44.6	177.5	164.3	0	0	0	0	111.2	F33 F34 E35 I40 R41 Q119 L123	F33-V37 HydrophobicContact CD1-CG2 4.25Å; F33-V37 HydrophobicContact CE1-CG2 3.7Å; F33-V37 HydrophobicContact CE2-CG2 4.01Å; F33-V37 HydrophobicContact CZ-CG2 3.54Å; F33-V37 WeakPolarHBondContact O-CG2 3.44Å; F33-V37 PolarHBondContact O-N 2.93Å; F34-V37 PolarHBondContact O-N 3.26Å; E35-V37 PolarHBondContact O-N 3Å; V37-I40 PolarHBondContact O-N 3.46Å; V37-R41 WeakPolarHBondContact O-CB 3.49Å; V37-R41 PolarHBondContact O-N 3.13Å; V37-Q119 HydrophobicContact CG2-CB 4.05Å; V37-Q119 HydrophobicContact CG2-CG 4.35Å; V37-L123 HydrophobicContact CB-CD1 4.31Å; V37-L123 HydrophobicContact CG1-CD1 4.1Å; V37-L123 HydrophobicContact CG2-CD1 4.09Å
38	E	95.1	Very high	92.5	Very high	141 Å²	141	69.4 Å²	69.4	66%	0.659	33%	0.328	S	S	*	.	H	α-helix	trans	-65.2	-40.1	177.2	-74	-175.3	168.5	0	0	111.8	F34 E35 R41 G42	F34-E38 WeakPolarHBondContact O-CG 3.37Å; F34-E38 PolarHBondContact O-N 3.04Å; E35-E38 PolarHBondContact O-N 2.86Å; E38-R41 PolarHBondContact O-N 2.73Å; E38-G42 PolarHBondContact O-N 2.91Å
39	E	96.4	Very high	93.9	Very high	78 Å²	78	66 Å²	66	36%	0.364	32%	0.32	S	S	.	.	H	α-helix	trans	-63.4	-46.1	176.2	-167.7	-171.5	170.5	0	0	111.7	E35 Q36 R41 G42 F43 K92	E35-E39 WeakPolarHBondContact O-CB 3.42Å; E35-E39 PolarHBondContact O-N 2.86Å; Q36-E39 PolarHBondContact O-N 2.95Å; E39-R41 VanDerWaalsContact C-N 3.32Å; E39-R41 PolarHBondContact O-N 2.94Å; E39-G42 PolarHBondContact O-N 3.23Å; E39-F43 HydrophobicContact CG-CD2 4.43Å; E39-F43 HydrophobicContact CG-CE1 4.43Å; E39-F43 HydrophobicContact CG-CE2 3.75Å; E39-F43 HydrophobicContact CG-CZ 3.73Å; E39-F43 WeakPolarHBondContact O-CG 3.44Å; E39-F43 PolarHBondContact O-N 2.9Å; E39-F43 WeakPolarHBondContact OE1-CZ 3.37Å; E39-K92 WeakPolarHBondContact OE1-CE 3.19Å; E39-K92 IonicContact OE1-NZ 3.7Å; E39-K92 PolarHBondContact OE1-NZ 3.3Å; E39-K92 VanDerWaalsContact OE2-CE 3.29Å; E39-K92 WeakPolarHBondContact OE2-CE 3.5Å; E39-K92 IonicContact OE2-NZ 3.94Å; E39-K92 PolarHBondContact OE2-NZ 2.85Å
40	I	97	Very high	94.8	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-60.5	-45.3	175.6	-66.7	164	0	0	0	110.2	Q36 V37 G42 F43 I44 V89 K92 L93 I96 L123	Q36-I40 WeakPolarHBondContact O-CD1 3.4Å; Q36-I40 VanDerWaalsContact O-CG1 3.23Å; Q36-I40 WeakPolarHBondContact O-CG1 2.99Å; Q36-I40 PolarHBondContact O-N 3.31Å; V37-I40 PolarHBondContact O-N 3.46Å; I40-G42 VanDerWaalsContact C-N 3.34Å; I40-G42 PolarHBondContact O-N 3.45Å; I40-F43 PolarHBondContact O-N 3.28Å; I40-I44 HydrophobicContact CG2-CD1 3.84Å; I40-I44 HydrophobicContact CG2-CG1 4.38Å; I40-I44 WeakPolarHBondContact O-CG1 3.44Å; I40-I44 PolarHBondContact O-N 3.01Å; I40-V89 HydrophobicContact CG2-CG1 4.07Å; I40-K92 HydrophobicContact CD1-CB 3.78Å; I40-K92 HydrophobicContact CG1-CB 3.67Å; I40-K92 HydrophobicContact CG1-CD 3.87Å; I40-K92 HydrophobicContact CG1-CG 4.42Å; I40-L93 HydrophobicContact CD1-CD2 4.34Å; I40-L93 HydrophobicContact CG2-CD2 4.37Å; I40-I96 HydrophobicContact CD1-CD1 3.44Å; I40-I96 VanDerWaalsContact CD1-CD1 3.44Å; I40-L123 HydrophobicContact CB-CD1 4.11Å; I40-L123 HydrophobicContact CD1-CD1 4.01Å; I40-L123 HydrophobicContact CG2-CB 4.26Å; I40-L123 HydrophobicContact CG2-CD1 3.99Å; I40-L123 HydrophobicContact CG2-CD2 4.13Å; I40-L123 HydrophobicContact CG2-CG 4.37Å
41	R	96.9	Very high	95.5	Very high	137 Å²	137	59.4 Å²	59.4	52%	0.517	29%	0.291	S	S	.	.	H	α-helix	trans	-59.4	-45.8	177.6	-178.6	178.9	174.6	-179.9	-1	111.5	V37 E38 E39 F43 I44 D45 L123	V37-R41 WeakPolarHBondContact O-CB 3.49Å; V37-R41 PolarHBondContact O-N 3.13Å; E38-R41 PolarHBondContact O-N 2.73Å; E39-R41 VanDerWaalsContact C-N 3.32Å; E39-R41 PolarHBondContact O-N 2.94Å; R41-F43 VanDerWaalsContact C-N 3.28Å; R41-F43 PolarHBondContact O-N 3.39Å; R41-I44 PolarHBondContact O-N 2.81Å; R41-I44 VanDerWaalsContact O-N 3.15Å; R41-D45 IonicContact NE-OD2 2.87Å; R41-D45 PolarHBondContact O-N 2.77Å; R41-L123 HydrophobicContact CB-CD2 4.2Å
42	G	98.1	Very high	95.9	Very high	38 Å²	38	60.6 Å²	60.6	39%	0.392	30%	0.295	S	S	.	.	H	α-helix	trans	-59.8	-38.4	176.5	0	0	0	0	0	112.6	E38 E39 I40 K46	E38-G42 PolarHBondContact O-N 2.91Å; E39-G42 PolarHBondContact O-N 3.23Å; I40-G42 VanDerWaalsContact C-N 3.34Å; I40-G42 PolarHBondContact O-N 3.45Å; G42-K46 WeakPolarHBondContact O-CB 3.42Å; G42-K46 PolarHBondContact O-N 3.05Å
43	F	98.1	Very high	96.3	Very high	46 Å²	46	56.6 Å²	56.6	20%	0.202	28%	0.276	C	S	.	.	H	α-helix	trans	-67.4	-40.4	173.4	-66.3	-24.8	0	0	0	113.1	E39 I40 R41 K46 I47 T85 K88 V89 K92	E39-F43 HydrophobicContact CG-CD2 4.43Å; E39-F43 HydrophobicContact CG-CE1 4.43Å; E39-F43 HydrophobicContact CG-CE2 3.75Å; E39-F43 HydrophobicContact CG-CZ 3.73Å; E39-F43 WeakPolarHBondContact O-CG 3.44Å; E39-F43 PolarHBondContact O-N 2.9Å; E39-F43 WeakPolarHBondContact OE1-CZ 3.37Å; I40-F43 PolarHBondContact O-N 3.28Å; R41-F43 VanDerWaalsContact C-N 3.28Å; R41-F43 PolarHBondContact O-N 3.39Å; F43-K46 PolarHBondContact O-N 2.98Å; F43-I47 VanDerWaalsContact O-CG1 3.32Å; F43-I47 WeakPolarHBondContact O-CG1 3.44Å; F43-I47 PolarHBondContact O-N 3.29Å; F43-T85 HydrophobicContact CB-CG2 3.71Å; F43-T85 HydrophobicContact CD1-CG2 4.29Å; F43-T85 HydrophobicContact CG-CG2 4.14Å; F43-T85 WeakPolarHBondContact O-CG2 3.36Å; F43-K88 HydrophobicContact CD2-CB 4.24Å; F43-K88 HydrophobicContact CE2-CB 4.2Å; F43-K88 HydrophobicContact CE2-CD 4.37Å; F43-K88 HydrophobicContact CZ-CD 4.38Å; F43-V89 HydrophobicContact CB-CG2 3.44Å; F43-V89 VanDerWaalsContact CB-CG2 3.44Å; F43-V89 HydrophobicContact CD2-CG2 4.31Å; F43-V89 HydrophobicContact CG-CG2 4.37Å; F43-K92 HydrophobicContact CD2-CD 4.45Å; F43-K92 HydrophobicContact CE2-CD 4.07Å
44	I	97.4	Very high	96.5	Very high	4 Å²	4	56.4 Å²	56.4	2%	0.021	28%	0.275	C	S	.	.	H	α-helix	trans	-63	-46.5	175.5	-66.1	166.6	0	0	0	110.3	I40 R41 K46 I47 A48 V89 L123 K126 F127 V130	I40-I44 HydrophobicContact CG2-CD1 3.84Å; I40-I44 HydrophobicContact CG2-CG1 4.38Å; I40-I44 WeakPolarHBondContact O-CG1 3.44Å; I40-I44 PolarHBondContact O-N 3.01Å; R41-I44 PolarHBondContact O-N 2.81Å; R41-I44 VanDerWaalsContact O-N 3.15Å; I44-K46 PolarHBondContact O-N 3.48Å; I44-I47 PolarHBondContact O-N 3.45Å; I44-I47 VanDerWaalsContact O-N 3.12Å; I44-A48 PolarHBondContact O-N 2.89Å; I44-V89 HydrophobicContact CD1-CG1 4.42Å; I44-V89 HydrophobicContact CG1-CG1 4.1Å; I44-V89 HydrophobicContact CG1-CG2 4.16Å; I44-L123 HydrophobicContact CD1-CD2 4.28Å; I44-K126 HydrophobicContact CD1-CB 4.43Å; I44-K126 HydrophobicContact CG2-CB 4.4Å; I44-F127 HydrophobicContact CD1-CB 3.93Å; I44-F127 HydrophobicContact CG1-CB 4.14Å; I44-F127 HydrophobicContact CG1-CD2 4.26Å; I44-V130 HydrophobicContact CG2-CB 4.5Å; I44-V130 HydrophobicContact CG2-CG2 3.89Å
45	D	98	Very high	96.7	Very high	83 Å²	83	55.8 Å²	55.8	44%	0.444	27%	0.272	S	S	.	.	H	α-helix	trans	-60.7	-37.6	177.5	-68.3	-20	0	0	0	110.7	R41 A48 E49	R41-D45 IonicContact NE-OD2 2.87Å; R41-D45 PolarHBondContact O-N 2.77Å; D45-A48 PolarHBondContact O-N 3.43Å; D45-E49 PolarHBondContact O-N 3.27Å
46	K	97.8	Very high	96.7	Very high	83 Å²	83	57.5 Å²	57.5	36%	0.361	27%	0.273	S	S	.	.	H	α-helix	trans	-66.8	-38.3	174.8	-174	51.5	174.1	156.8	0	113.1	G42 F43 I44 E49 N50	G42-K46 WeakPolarHBondContact O-CB 3.42Å; G42-K46 PolarHBondContact O-N 3.05Å; F43-K46 PolarHBondContact O-N 2.98Å; I44-K46 PolarHBondContact O-N 3.48Å; K46-E49 VanDerWaalsContact CD-OE2 3.24Å; K46-E49 WeakPolarHBondContact CD-OE2 3.15Å; K46-E49 IonicContact NZ-OE1 2.87Å; K46-E49 IonicContact NZ-OE2 3.62Å; K46-E49 PolarHBondContact NZ-OE2 3.19Å; K46-E49 PolarHBondContact O-N 3.3Å; K46-N50 WeakPolarHBondContact CE-OD1 3.47Å; K46-N50 PolarHBondContact NZ-OD1 3.3Å; K46-N50 WeakPolarHBondContact O-CB 3.48Å; K46-N50 VanDerWaalsContact O-CG 3.26Å; K46-N50 PolarHBondContact O-N 3.01Å; K46-N50 PolarHBondContact O-OD1 3.43Å
47	I	97.1	Very high	96.7	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-63	-47	173.7	-64.3	164.4	0	0	0	109.1	F43 I44 E49 N50 V51 I82 T85 A86 V89 F127 V130 M131	F43-I47 VanDerWaalsContact O-CG1 3.32Å; F43-I47 WeakPolarHBondContact O-CG1 3.44Å; F43-I47 PolarHBondContact O-N 3.29Å; I44-I47 PolarHBondContact O-N 3.45Å; I44-I47 VanDerWaalsContact O-N 3.12Å; I47-E49 VanDerWaalsContact C-N 3.32Å; I47-E49 PolarHBondContact O-N 3.49Å; I47-N50 PolarHBondContact O-N 3.49Å; I47-N50 VanDerWaalsContact O-N 3.1Å; I47-V51 HydrophobicContact CG2-CG2 4.12Å; I47-V51 VanDerWaalsContact O-CG2 3.23Å; I47-V51 WeakPolarHBondContact O-CG2 3.24Å; I47-V51 PolarHBondContact O-N 3.14Å; I47-I82 HydrophobicContact CG2-CG2 4.17Å; I47-T85 HydrophobicContact CD1-CG2 3.98Å; I47-T85 HydrophobicContact CG1-CG2 3.66Å; I47-A86 HydrophobicContact CD1-CB 3.95Å; I47-V89 HydrophobicContact CD1-CG2 4.23Å; I47-F127 HydrophobicContact CD1-CD2 4.27Å; I47-F127 HydrophobicContact CD1-CE2 3.82Å; I47-V130 HydrophobicContact CB-CG1 3.99Å; I47-V130 HydrophobicContact CG2-CG1 3.51Å; I47-M131 HydrophobicContact CG2-SD 4.17Å
48	A	97.7	Very high	96.7	Very high	35 Å²	35	56.3 Å²	56.3	29%	0.289	27%	0.266	S	S	.	.	H	α-helix	trans	-58.2	-43.2	179.1	0	0	0	0	0	112.4	I44 D45 V51 E52 V130	I44-A48 PolarHBondContact O-N 2.89Å; D45-A48 PolarHBondContact O-N 3.43Å; A48-V51 PolarHBondContact O-N 2.87Å; A48-E52 PolarHBondContact O-N 2.98Å; A48-V130 HydrophobicContact CB-CG1 4.06Å; A48-V130 HydrophobicContact CB-CG2 4.09Å
49	E	98.1	Very high	96.6	Very high	109 Å²	109	52.5 Å²	52.5	51%	0.509	26%	0.255	S	S	.	.	H	α-helix	trans	-58.7	-48.6	173	-173.4	-166.1	-179.6	0	0	111.6	D45 K46 I47 V51 E52 E53	D45-E49 PolarHBondContact O-N 3.27Å; K46-E49 VanDerWaalsContact CD-OE2 3.24Å; K46-E49 WeakPolarHBondContact CD-OE2 3.15Å; K46-E49 IonicContact NZ-OE1 2.87Å; K46-E49 IonicContact NZ-OE2 3.62Å; K46-E49 PolarHBondContact NZ-OE2 3.19Å; K46-E49 PolarHBondContact O-N 3.3Å; I47-E49 VanDerWaalsContact C-N 3.32Å; I47-E49 PolarHBondContact O-N 3.49Å; E49-V51 VanDerWaalsContact C-N 3.3Å; E49-V51 PolarHBondContact O-N 3.34Å; E49-E52 PolarHBondContact O-N 3.49Å; E49-E53 PolarHBondContact O-N 3.34Å; E49-E53 VanDerWaalsContact O-N 3.08Å
50	N	97.4	Very high	96.5	Very high	6 Å²	6	51.3 Å²	51.3	3%	0.032	26%	0.259	C	S	.	.	H	α-helix	trans	-64.4	-34.5	-179.9	-70.6	-0.9	0	0	0	112	K46 I47 E53 V54 L78 I82	K46-N50 WeakPolarHBondContact CE-OD1 3.47Å; K46-N50 PolarHBondContact NZ-OD1 3.3Å; K46-N50 WeakPolarHBondContact O-CB 3.48Å; K46-N50 VanDerWaalsContact O-CG 3.26Å; K46-N50 PolarHBondContact O-N 3.01Å; K46-N50 PolarHBondContact O-OD1 3.43Å; I47-N50 PolarHBondContact O-N 3.49Å; I47-N50 VanDerWaalsContact O-N 3.1Å; N50-E53 PolarHBondContact O-N 2.89Å; N50-V54 VanDerWaalsContact O-CG2 3.29Å; N50-V54 WeakPolarHBondContact O-CG2 3.43Å; N50-V54 PolarHBondContact O-N 3.3Å; N50-L78 HydrophobicContact CB-CD2 4.19Å; N50-I82 HydrophobicContact CB-CD1 3.93Å; N50-I82 HydrophobicContact CB-CG1 3.63Å
51	V	96.7	Very high	96.2	Very high	3 Å²	3	51.4 Å²	51.4	2%	0.018	26%	0.259	C	S	.	.	H	α-helix	trans	-62.1	-42.8	175.1	172.6	0	0	0	0	111	I47 A48 E49 V54 K55 I82 V130 E133 Y134	I47-V51 HydrophobicContact CG2-CG2 4.12Å; I47-V51 VanDerWaalsContact O-CG2 3.23Å; I47-V51 WeakPolarHBondContact O-CG2 3.24Å; I47-V51 PolarHBondContact O-N 3.14Å; A48-V51 PolarHBondContact O-N 2.87Å; E49-V51 VanDerWaalsContact C-N 3.3Å; E49-V51 PolarHBondContact O-N 3.34Å; V51-V54 WeakPolarHBondContact O-CB 3.4Å; V51-V54 PolarHBondContact O-N 2.93Å; V51-K55 PolarHBondContact O-N 2.99Å; V51-I82 HydrophobicContact CG2-CD1 4.15Å; V51-V130 HydrophobicContact CG2-CG1 4.48Å; V51-E133 HydrophobicContact CG1-CG 4.24Å; V51-Y134 HydrophobicContact CG2-CD2 3.89Å; V51-Y134 HydrophobicContact CG2-CG 4.27Å
52	E	97.2	Very high	95.9	Very high	92 Å²	92	45.3 Å²	45.3	43%	0.43	24%	0.237	S	C	.	.	H	α-helix	trans	-65.6	-38.2	175.8	-69.9	-57.6	128.5	0	0	112.2	A48 E49 K55 R56	A48-E52 PolarHBondContact O-N 2.98Å; E49-E52 PolarHBondContact O-N 3.49Å; E52-K55 WeakPolarHBondContact O-CB 3.38Å; E52-K55 PolarHBondContact O-N 2.68Å; E52-K55 IonicContact OE1-NZ 3.15Å; E52-K55 PolarHBondContact OE1-NZ 3.23Å; E52-R56 PolarHBondContact O-N 2.96Å; E52-R56 VanDerWaalsContact O-N 3.15Å
53	E	96.9	Very high	95.6	Very high	60 Å²	60	47.4 Å²	47.4	28%	0.28	25%	0.25	S	S	.	.	H	α-helix	trans	-66.8	-37.9	173.6	-70.5	-57.7	120	0	0	112.1	E49 N50 K55 R56 K57 L78	E49-E53 PolarHBondContact O-N 3.34Å; E49-E53 VanDerWaalsContact O-N 3.08Å; N50-E53 PolarHBondContact O-N 2.89Å; E53-K55 VanDerWaalsContact C-N 3.33Å; E53-K55 PolarHBondContact O-N 3.18Å; E53-R56 WeakPolarHBondContact O-CB 3.46Å; E53-R56 PolarHBondContact O-N 3.36Å; E53-R56 VanDerWaalsContact O-N 3.11Å; E53-R56 WeakPolarHBondContact OE1-CD 3.39Å; E53-R56 IonicContact OE1-CZ 3.75Å; E53-R56 IonicContact OE1-NH1 3.27Å; E53-R56 PolarHBondContact OE1-NH1 3.22Å; E53-K57 WeakPolarHBondContact O-CG 3.43Å; E53-K57 PolarHBondContact O-N 2.92Å; E53-L78 HydrophobicContact CB-CD1 3.89Å; E53-L78 HydrophobicContact CB-CD2 4.25Å
54	V	95.9	Very high	95.1	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-57.4	-45	171.7	165.2	0	0	0	0	110.9	N50 V51 R56 K57 H58 L75 L78 I82 T137	N50-V54 VanDerWaalsContact O-CG2 3.29Å; N50-V54 WeakPolarHBondContact O-CG2 3.43Å; N50-V54 PolarHBondContact O-N 3.3Å; V51-V54 WeakPolarHBondContact O-CB 3.4Å; V51-V54 PolarHBondContact O-N 2.93Å; V54-R56 VanDerWaalsContact C-N 3.29Å; V54-R56 PolarHBondContact O-N 3.09Å; V54-K57 PolarHBondContact O-N 3.13Å; V54-H58 VanDerWaalsContact CG1-CD2 3.45Å; V54-H58 WeakPolarHBondContact CG1-CD2 3.49Å; V54-H58 WeakPolarHBondContact CG1-NE2 3.35Å; V54-H58 WeakPolarHBondContact O-CB 3.35Å; V54-H58 PolarHBondContact O-CD2 3.13Å; V54-H58 VanDerWaalsContact O-CG 3.3Å; V54-H58 PolarHBondContact O-N 2.91Å; V54-L75 HydrophobicContact CB-CD1 4.36Å; V54-L75 HydrophobicContact CG1-CD1 3.96Å; V54-L75 HydrophobicContact CG2-CD1 4.1Å; V54-L78 HydrophobicContact CG2-CB 3.8Å; V54-L78 HydrophobicContact CG2-CD1 4.25Å; V54-I82 HydrophobicContact CG2-CD1 3.86Å; V54-T137 HydrophobicContact CG1-CG2 4.18Å
55	K	95.5	Very high	94.3	Very high	52 Å²	52	49.8 Å²	49.8	23%	0.226	27%	0.272	C	S	.	.	H	α-helix	trans	-57.5	-41.3	174.8	-70.2	174.9	-177.5	170.7	0	112.4	V51 E52 E53 S59 E133 T137	V51-K55 PolarHBondContact O-N 2.99Å; E52-K55 WeakPolarHBondContact O-CB 3.38Å; E52-K55 PolarHBondContact O-N 2.68Å; E52-K55 IonicContact OE1-NZ 3.15Å; E52-K55 PolarHBondContact OE1-NZ 3.23Å; E53-K55 VanDerWaalsContact C-N 3.33Å; E53-K55 PolarHBondContact O-N 3.18Å; K55-S59 WeakPolarHBondContact O-CB 3.49Å; K55-S59 PolarHBondContact O-N 2.99Å; K55-S59 PolarHBondContact O-OG 3.15Å; K55-E133 WeakPolarHBondContact CE-OE1 3.33Å; K55-E133 IonicContact NZ-OE1 2.69Å; K55-E133 PolarHBondContact NZ-OE1 3.29Å; K55-T137 HydrophobicContact CD-CG2 4.5Å; K55-T137 WeakPolarHBondContact CE-OG1 3.23Å; K55-T137 HydrophobicContact CG-CG2 3.46Å; K55-T137 VanDerWaalsContact CG-CG2 3.46Å
56	R	95.4	Very high	93.5	Very high	167 Å²	167	50.5 Å²	50.5	63%	0.63	28%	0.275	S	S	*	.	H	α-helix	trans	-64.6	-47.5	176.8	-74	-175.3	157	124.9	5.1	111.9	E52 E53 V54 S59 A60	E52-R56 PolarHBondContact O-N 2.96Å; E52-R56 VanDerWaalsContact O-N 3.15Å; E53-R56 WeakPolarHBondContact O-CB 3.46Å; E53-R56 PolarHBondContact O-N 3.36Å; E53-R56 VanDerWaalsContact O-N 3.11Å; E53-R56 WeakPolarHBondContact OE1-CD 3.39Å; E53-R56 IonicContact OE1-CZ 3.75Å; E53-R56 IonicContact OE1-NH1 3.27Å; E53-R56 PolarHBondContact OE1-NH1 3.22Å; V54-R56 VanDerWaalsContact C-N 3.29Å; V54-R56 PolarHBondContact O-N 3.09Å; R56-S59 PolarHBondContact O-N 3.2Å; R56-A60 PolarHBondContact O-N 3.11Å
57	K	94.2	Very high	92.9	Very high	46 Å²	46	47.1 Å²	47.1	20%	0.2	26%	0.262	C	S	.	.	H	α-helix	trans	-63.2	-45.2	178.7	-63.4	-62.1	178.4	-176.6	0	111.7	E53 V54 S59 A60 I61 T71 E74 L75 L78	E53-K57 WeakPolarHBondContact O-CG 3.43Å; E53-K57 PolarHBondContact O-N 2.92Å; V54-K57 PolarHBondContact O-N 3.13Å; K57-S59 VanDerWaalsContact C-N 3.29Å; K57-S59 PolarHBondContact O-N 2.84Å; K57-A60 PolarHBondContact O-N 3.06Å; K57-A60 VanDerWaalsContact O-N 3.16Å; K57-I61 WeakPolarHBondContact O-CB 3.39Å; K57-I61 VanDerWaalsContact O-CG1 3.29Å; K57-I61 WeakPolarHBondContact O-CG1 3.46Å; K57-I61 PolarHBondContact O-N 2.97Å; K57-T71 HydrophobicContact CD-CG2 3.87Å; K57-E74 WeakPolarHBondContact CE-OE2 3.46Å; K57-E74 IonicContact NZ-OE2 3.18Å; K57-E74 PolarHBondContact NZ-OE2 3.24Å; K57-L75 HydrophobicContact CB-CB 4.25Å; K57-L75 HydrophobicContact CB-CD1 4.22Å; K57-L78 HydrophobicContact CG-CD1 3.96Å
58	H	93.6	Very high	92.5	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.009	28%	0.283	C	S	.	.	H	α-helix	trans	-54.1	-45.1	172.6	-78.2	-27.1	0	0	0	112.5	V54 I61 L62 Y141	V54-H58 VanDerWaalsContact CG1-CD2 3.45Å; V54-H58 WeakPolarHBondContact CG1-CD2 3.49Å; V54-H58 WeakPolarHBondContact CG1-NE2 3.35Å; V54-H58 WeakPolarHBondContact O-CB 3.35Å; V54-H58 PolarHBondContact O-CD2 3.13Å; V54-H58 VanDerWaalsContact O-CG 3.3Å; V54-H58 PolarHBondContact O-N 2.91Å; H58-I61 PolarHBondContact O-N 3.4Å; H58-L62 WeakPolarHBondContact O-CB 3.13Å; H58-L62 PolarHBondContact O-N 3.17Å; H58-Y141 HydrophobicContact CB-CD2 3.37Å; H58-Y141 HydrophobicContact CB-CE2 3.56Å; H58-Y141 HydrophobicContact CB-CG 4.05Å; H58-Y141 AromaticContact CD2-CG 3.8Å; H58-Y141 AromaticContact CE1-CD1 3.43Å; H58-Y141 VanDerWaalsContact CE1-CD1 3.43Å; H58-Y141 WeakPolarHBondContact CE1-CD1 3.39Å; H58-Y141 AromaticContact CE1-CE1 3.63Å; H58-Y141 AromaticContact CE1-CG 3.71Å; H58-Y141 AromaticContact CG-CD2 3.38Å; H58-Y141 AromaticContact CG-CE2 3.66Å; H58-Y141 AromaticContact CG-CG 3.54Å; H58-Y141 AromaticContact ND1-CD1 3.46Å; H58-Y141 WeakPolarHBondContact ND1-CD1 3.37Å; H58-Y141 AromaticContact ND1-CD2 3.5Å; H58-Y141 AromaticContact ND1-CE1 3.41Å; H58-Y141 WeakPolarHBondContact ND1-CE1 3.44Å; H58-Y141 AromaticContact ND1-CE2 3.43Å; H58-Y141 WeakPolarHBondContact ND1-CE2 3.12Å; H58-Y141 AromaticContact ND1-CG 3.48Å; H58-Y141 AromaticContact ND1-CZ 3.39Å; H58-Y141 AromaticContact NE2-CD1 3.97Å; H58-Y141 AromaticContact NE2-CG 3.92Å; H58-Y141 WeakPolarHBondContact O-CE2 3.29Å
59	S	93.4	Very high	92.1	Very high	62 Å²	62	55.2 Å²	55.2	43%	0.434	30%	0.297	S	S	.	.	H	α-helix	trans	-65.6	-41	178.3	-58.5	0	0	0	0	112.3	K55 R56 K57 L62 A63	K55-S59 WeakPolarHBondContact O-CB 3.49Å; K55-S59 PolarHBondContact O-N 2.99Å; K55-S59 PolarHBondContact O-OG 3.15Å; R56-S59 PolarHBondContact O-N 3.2Å; K57-S59 VanDerWaalsContact C-N 3.29Å; K57-S59 PolarHBondContact O-N 2.84Å; S59-L62 PolarHBondContact O-N 3.34Å; S59-A63 WeakPolarHBondContact O-CB 3.39Å; S59-A63 PolarHBondContact O-N 3.11Å; S59-A63 VanDerWaalsContact O-N 3.13Å
60	A	93.3	Very high	91.9	Very high	53 Å²	53	56.5 Å²	56.5	44%	0.438	30%	0.3	S	S	.	.	H	α-helix	trans	-63.6	-44.2	175.4	0	0	0	0	0	112.1	R56 K57 L62 A63 T71	R56-A60 PolarHBondContact O-N 3.11Å; K57-A60 PolarHBondContact O-N 3.06Å; K57-A60 VanDerWaalsContact O-N 3.16Å; A60-L62 VanDerWaalsContact C-N 3.31Å; A60-L62 PolarHBondContact O-N 3.16Å; A60-A63 WeakPolarHBondContact O-CB 2.98Å; A60-A63 PolarHBondContact O-N 3.33Å; A60-A63 VanDerWaalsContact O-N 3.17Å; A60-T71 HydrophobicContact CB-CG2 4.33Å
61	I	91.9	Very high	91.6	Very high	1 Å²	1	57 Å²	57	1%	0.005	30%	0.304	C	S	.	.	H	α-helix	trans	-64.1	-36.4	179.9	-70.5	165.1	0	0	0	111.5	K57 H58 S64 P67 T71 K72 L75 Y141 R198	K57-I61 WeakPolarHBondContact O-CB 3.39Å; K57-I61 VanDerWaalsContact O-CG1 3.29Å; K57-I61 WeakPolarHBondContact O-CG1 3.46Å; K57-I61 PolarHBondContact O-N 2.97Å; H58-I61 PolarHBondContact O-N 3.4Å; I61-S64 VanDerWaalsContact O-O 3.12Å; I61-P67 HydrophobicContact CB-CB 4.28Å; I61-P67 HydrophobicContact CG1-CB 4.23Å; I61-P67 HydrophobicContact CG2-CB 3.97Å; I61-P67 HydrophobicContact CG2-CG 4.02Å; I61-T71 HydrophobicContact CD1-CG2 4.13Å; I61-T71 HydrophobicContact CG1-CG2 3.71Å; I61-K72 HydrophobicContact CD1-CG 4.49Å; I61-L75 HydrophobicContact CD1-CB 4.28Å; I61-L75 HydrophobicContact CD1-CD2 3.58Å; I61-Y141 WeakPolarHBondContact CG2-OH 3.47Å; I61-R198 PolarHBondContact O-NH1 3.06Å; I61-R198 PolarHBondContact O-NH2 3.17Å
62	L	90.9	Very high	91.3	Very high	10 Å²	10	58.2 Å²	58.2	5%	0.052	31%	0.309	C	S	.	.	H	α-helix	trans	-79.7	-15.3	177	-78.7	166.1	0	0	0	114.4	H58 S59 A60 Y141 R144 R148	H58-L62 WeakPolarHBondContact O-CB 3.13Å; H58-L62 PolarHBondContact O-N 3.17Å; S59-L62 PolarHBondContact O-N 3.34Å; A60-L62 VanDerWaalsContact C-N 3.31Å; A60-L62 PolarHBondContact O-N 3.16Å; L62-Y141 HydrophobicContact CD1-CD2 3.45Å; L62-Y141 VanDerWaalsContact CD1-CD2 3.45Å; L62-Y141 HydrophobicContact CD1-CE2 3.41Å; L62-Y141 VanDerWaalsContact CD1-CE2 3.41Å; L62-Y141 HydrophobicContact CD2-CE2 4.41Å; L62-Y141 HydrophobicContact CG-CD2 4.18Å; L62-Y141 HydrophobicContact CG-CE2 3.6Å; L62-R144 HydrophobicContact CD1-CB 3.67Å; L62-R144 HydrophobicContact CD1-CG 4.47Å; L62-R148 HydrophobicContact CD2-CG 3.79Å; L62-R148 PolarHBondContact O-NH2 3.01Å
63	A	90.9	Very high	91.1	Very high	81 Å²	81	60.3 Å²	60.3	67%	0.669	32%	0.318	S	S	*	.	H	α-helix	trans	-79.5	-23.7	178.6	0	0	0	0	0	112.7	S59 A60	S59-A63 WeakPolarHBondContact O-CB 3.39Å; S59-A63 PolarHBondContact O-N 3.11Å; S59-A63 VanDerWaalsContact O-N 3.13Å; A60-A63 WeakPolarHBondContact O-CB 2.98Å; A60-A63 PolarHBondContact O-N 3.33Å; A60-A63 VanDerWaalsContact O-N 3.17Å
64	S	87.6	Confident	91	Very high	46 Å²	46	60 Å²	60	32%	0.322	32%	0.317	S	S	.	.			trans	-111.1	134.4	178.1	-175.5	0	0	0	0	111.6	I61 N66 R198	I61-S64 VanDerWaalsContact O-O 3.12Å; S64-N66 PolarHBondContact O-N 2.88Å; S64-N66 VanDerWaalsContact OG-C 3.25Å; S64-N66 PolarHBondContact OG-N 3.43Å; S64-N66 PolarHBondContact OG-O 2.87Å; S64-R198 PolarHBondContact O-NH2 3.27Å
65	P	80.3	Confident	90.9	Very high	55 Å²	55	60.2 Å²	60.2	36%	0.357	32%	0.318	S	S	.	.	S	Bend	trans	-57.6	-37.4	169.4	-24	34.2	0	0	0	112.6	P67	P65-P67 WeakPolarHBondContact O-CD 3.43Å
66	N	81.7	Confident	90.7	Very high	97 Å²	97	61.6 Å²	61.6	52%	0.519	33%	0.325	S	S	.	.	S	Bend	trans	-119.4	86.7	176.7	-68	-34.4	0	0	0	108	S64	S64-N66 PolarHBondContact O-N 2.88Å; S64-N66 VanDerWaalsContact OG-C 3.25Å; S64-N66 PolarHBondContact OG-N 3.43Å; S64-N66 PolarHBondContact OG-O 2.87Å
67	P	85.3	Confident	90.7	Very high	12 Å²	12	59.3 Å²	59.3	8%	0.078	32%	0.322	C	S	.	.			trans	-63.2	144.4	175.2	27.5	-35.3	0	0	0	110.5	I61 P65 T197	I61-P67 HydrophobicContact CB-CB 4.28Å; I61-P67 HydrophobicContact CG1-CB 4.23Å; I61-P67 HydrophobicContact CG2-CB 3.97Å; I61-P67 HydrophobicContact CG2-CG 4.02Å; P65-P67 WeakPolarHBondContact O-CD 3.43Å; P67-T197 HydrophobicContact CG-CG2 4.12Å
68	D	88.6	Confident	90.8	Very high	84 Å²	84	58.3 Å²	58.3	45%	0.449	32%	0.319	S	S	.	.			trans	-67.3	141.6	176.1	60.8	-69.8	0	0	0	110.9	K70 T71 K72	D68-K70 PolarHBondContact O-N 3.23Å; D68-T71 PolarHBondContact O-N 3.46Å; D68-T71 WeakPolarHBondContact OD1-CB 3.41Å; D68-T71 PolarHBondContact OD1-OG1 2.67Å; D68-T71 VanDerWaalsContact OD2-CB 3.26Å; D68-T71 WeakPolarHBondContact OD2-CB 3.46Å; D68-T71 PolarHBondContact OD2-N 2.86Å; D68-T71 PolarHBondContact OD2-OG1 3.41Å; D68-K72 PolarHBondContact O-N 2.87Å
69	E	90	Very high	90.8	Very high	122 Å²	122	59.3 Å²	59.3	57%	0.57	32%	0.324	S	S	*	.	H	α-helix	trans	-64.2	-29.8	-176.2	-160	60	-163.2	0	0	112.1	K72 E73	E69-K72 WeakPolarHBondContact O-CB 3.43Å; E69-K72 PolarHBondContact O-N 3.06Å; E69-K72 IonicContact OE2-NZ 2.81Å; E69-K72 PolarHBondContact OE2-NZ 3.16Å; E69-E73 PolarHBondContact O-N 3.49Å
70	K	92.4	Very high	90.8	Very high	135 Å²	135	58.7 Å²	58.7	59%	0.587	32%	0.319	S	S	*	.	H	α-helix	trans	-62.1	-45.6	176.4	-178.4	175.1	175.4	177.6	0	112	D68 K72 E73 E74	D68-K70 PolarHBondContact O-N 3.23Å; K70-K72 VanDerWaalsContact C-N 3.26Å; K70-K72 PolarHBondContact O-N 3.12Å; K70-E73 PolarHBondContact O-N 3.31Å; K70-E74 WeakPolarHBondContact CE-OE1 3.34Å; K70-E74 VanDerWaalsContact O-CG 3.31Å; K70-E74 WeakPolarHBondContact O-CG 3.5Å; K70-E74 PolarHBondContact O-N 3.35Å
71	T	91.7	Very high	90.9	Very high	17 Å²	17	58.8 Å²	58.8	10%	0.104	31%	0.313	C	S	.	.	H	α-helix	trans	-64.5	-32.5	177.6	-64.1	0	0	0	0	111.8	K57 A60 I61 D68 L75	K57-T71 HydrophobicContact CD-CG2 3.87Å; A60-T71 HydrophobicContact CB-CG2 4.33Å; I61-T71 HydrophobicContact CD1-CG2 4.13Å; I61-T71 HydrophobicContact CG1-CG2 3.71Å; D68-T71 PolarHBondContact O-N 3.46Å; D68-T71 WeakPolarHBondContact OD1-CB 3.41Å; D68-T71 PolarHBondContact OD1-OG1 2.67Å; D68-T71 VanDerWaalsContact OD2-CB 3.26Å; D68-T71 WeakPolarHBondContact OD2-CB 3.46Å; D68-T71 PolarHBondContact OD2-N 2.86Å; D68-T71 PolarHBondContact OD2-OG1 3.41Å; T71-L75 PolarHBondContact O-N 3.11Å; T71-L75 VanDerWaalsContact O-N 3.09Å
72	K	90.3	Very high	91.1	Very high	28 Å²	28	58.8 Å²	58.8	12%	0.122	31%	0.312	C	S	.	.	H	α-helix	trans	-68.9	-44.5	173.2	-61.2	-175.1	-161.5	153	0	112	I61 D68 E69 K70 E74 L75 E76	I61-K72 HydrophobicContact CD1-CG 4.49Å; D68-K72 PolarHBondContact O-N 2.87Å; E69-K72 WeakPolarHBondContact O-CB 3.43Å; E69-K72 PolarHBondContact O-N 3.06Å; E69-K72 IonicContact OE2-NZ 2.81Å; E69-K72 PolarHBondContact OE2-NZ 3.16Å; K70-K72 VanDerWaalsContact C-N 3.26Å; K70-K72 PolarHBondContact O-N 3.12Å; K72-E74 VanDerWaalsContact C-N 3.33Å; K72-E74 PolarHBondContact O-N 3.13Å; K72-L75 WeakPolarHBondContact O-CB 3.46Å; K72-L75 PolarHBondContact O-N 3.32Å; K72-L75 VanDerWaalsContact O-N 3.16Å; K72-E76 PolarHBondContact O-N 2.89Å
73	E	93.3	Very high	91.2	Very high	136 Å²	136	61.3 Å²	61.3	64%	0.636	32%	0.323	S	S	*	.	H	α-helix	trans	-59.9	-44.5	176.7	-173	176.8	-164.3	0	0	111.1	E69 K70 L75 E76 E77	E69-E73 PolarHBondContact O-N 3.49Å; K70-E73 PolarHBondContact O-N 3.31Å; E73-L75 VanDerWaalsContact C-N 3.32Å; E73-L75 PolarHBondContact O-N 2.87Å; E73-E76 PolarHBondContact O-N 2.85Å; E73-E77 PolarHBondContact O-N 2.93Å
74	E	94.3	Very high	91.4	Very high	54 Å²	54	62.8 Å²	62.8	25%	0.252	31%	0.314	S	S	.	.	H	α-helix	trans	-62.4	-36.1	175.3	-71.1	171.6	173.8	0	0	112.3	K57 K70 K72 L78	K57-E74 WeakPolarHBondContact CE-OE2 3.46Å; K57-E74 IonicContact NZ-OE2 3.18Å; K57-E74 PolarHBondContact NZ-OE2 3.24Å; K70-E74 WeakPolarHBondContact CE-OE1 3.34Å; K70-E74 VanDerWaalsContact O-CG 3.31Å; K70-E74 WeakPolarHBondContact O-CG 3.5Å; K70-E74 PolarHBondContact O-N 3.35Å; K72-E74 VanDerWaalsContact C-N 3.33Å; K72-E74 PolarHBondContact O-N 3.13Å; E74-L78 VanDerWaalsContact O-CG 3.3Å; E74-L78 WeakPolarHBondContact O-CG 3.19Å; E74-L78 PolarHBondContact O-N 3.43Å
75	L	93.8	Very high	91.8	Very high	4 Å²	4	61.4 Å²	61.4	2%	0.021	30%	0.304	C	S	.	.	H	α-helix	trans	-66.1	-44.1	173.9	173.5	63.9	0	0	0	111.4	V54 K57 I61 T71 K72 E73 E77 L78 M79	V54-L75 HydrophobicContact CB-CD1 4.36Å; V54-L75 HydrophobicContact CG1-CD1 3.96Å; V54-L75 HydrophobicContact CG2-CD1 4.1Å; K57-L75 HydrophobicContact CB-CB 4.25Å; K57-L75 HydrophobicContact CB-CD1 4.22Å; I61-L75 HydrophobicContact CD1-CB 4.28Å; I61-L75 HydrophobicContact CD1-CD2 3.58Å; T71-L75 PolarHBondContact O-N 3.11Å; T71-L75 VanDerWaalsContact O-N 3.09Å; K72-L75 WeakPolarHBondContact O-CB 3.46Å; K72-L75 PolarHBondContact O-N 3.32Å; K72-L75 VanDerWaalsContact O-N 3.16Å; E73-L75 VanDerWaalsContact C-N 3.32Å; E73-L75 PolarHBondContact O-N 2.87Å; L75-E77 VanDerWaalsContact C-N 3.33Å; L75-E77 PolarHBondContact O-N 3.47Å; L75-L78 PolarHBondContact O-N 3.47Å; L75-M79 HydrophobicContact CD1-CG 4.38Å; L75-M79 HydrophobicContact CG-CE 4.2Å; L75-M79 WeakPolarHBondContact O-CG 3.46Å; L75-M79 PolarHBondContact O-N 2.81Å
76	E	92.3	Very high	92.4	Very high	81 Å²	81	58.8 Å²	58.8	38%	0.379	29%	0.287	S	S	.	.	H	α-helix	trans	-63.2	-39	177.3	-72.2	-179.4	-163.4	0	0	112.3	K72 E73 M79 S80 K204	K72-E76 PolarHBondContact O-N 2.89Å; E73-E76 PolarHBondContact O-N 2.85Å; E76-M79 HydrophobicContact CB-CE 4.35Å; E76-M79 HydrophobicContact CG-CE 3.91Å; E76-M79 PolarHBondContact O-N 2.87Å; E76-S80 WeakPolarHBondContact O-CB 3.49Å; E76-S80 PolarHBondContact O-N 3.41Å; E76-K204 WeakPolarHBondContact OE1-CD 3.45Å; E76-K204 WeakPolarHBondContact OE1-CE 3.27Å; E76-K204 IonicContact OE1-NZ 3.53Å; E76-K204 PolarHBondContact OE1-NZ 3.42Å
77	E	95.4	Very high	93	Very high	120 Å²	120	56.6 Å²	56.6	56%	0.561	28%	0.275	S	S	*	.	H	α-helix	trans	-62	-47.2	173.3	-172.4	174	-161	0	0	111.3	E73 L75 M79 S80 D81	E73-E77 PolarHBondContact O-N 2.93Å; L75-E77 VanDerWaalsContact C-N 3.33Å; L75-E77 PolarHBondContact O-N 3.47Å; E77-M79 PolarHBondContact O-N 2.78Å; E77-S80 WeakPolarHBondContact O-CB 3.5Å; E77-S80 PolarHBondContact O-N 3.28Å; E77-D81 WeakPolarHBondContact O-CB 3.44Å; E77-D81 PolarHBondContact O-N 2.67Å
78	L	95.8	Very high	93.4	Very high	25 Å²	25	61.4 Å²	61.4	13%	0.131	30%	0.295	C	S	.	.	H	α-helix	trans	-59.4	-43.8	176.4	-74.8	168.3	0	0	0	112.3	N50 E53 V54 K57 E74 L75 S80 D81 I82	N50-L78 HydrophobicContact CB-CD2 4.19Å; E53-L78 HydrophobicContact CB-CD1 3.89Å; E53-L78 HydrophobicContact CB-CD2 4.25Å; V54-L78 HydrophobicContact CG2-CB 3.8Å; V54-L78 HydrophobicContact CG2-CD1 4.25Å; K57-L78 HydrophobicContact CG-CD1 3.96Å; E74-L78 VanDerWaalsContact O-CG 3.3Å; E74-L78 WeakPolarHBondContact O-CG 3.19Å; E74-L78 PolarHBondContact O-N 3.43Å; L75-L78 PolarHBondContact O-N 3.47Å; L78-S80 VanDerWaalsContact C-N 3.35Å; L78-D81 PolarHBondContact O-N 3Å; L78-I82 VanDerWaalsContact O-CG1 3.31Å; L78-I82 WeakPolarHBondContact O-CG1 3.5Å; L78-I82 PolarHBondContact O-N 2.96Å
79	M	93.1	Very high	93.7	Very high	22 Å²	22	57.4 Å²	57.4	11%	0.108	27%	0.273	C	S	.	.	H	α-helix	trans	-62.2	-42.6	176	-69.9	-171.8	-64.8	0	0	111.6	L75 E76 E77 D81 I82 K83	L75-M79 HydrophobicContact CD1-CG 4.38Å; L75-M79 HydrophobicContact CG-CE 4.2Å; L75-M79 WeakPolarHBondContact O-CG 3.46Å; L75-M79 PolarHBondContact O-N 2.81Å; E76-M79 HydrophobicContact CB-CE 4.35Å; E76-M79 HydrophobicContact CG-CE 3.91Å; E76-M79 PolarHBondContact O-N 2.87Å; E77-M79 PolarHBondContact O-N 2.78Å; M79-D81 VanDerWaalsContact C-N 3.33Å; M79-D81 PolarHBondContact O-N 3.24Å; M79-I82 PolarHBondContact O-N 2.86Å; M79-K83 WeakPolarHBondContact O-CB 3.33Å; M79-K83 PolarHBondContact O-N 3.46Å
80	S	94.1	Very high	93.8	Very high	49 Å²	49	54.9 Å²	54.9	34%	0.343	26%	0.259	S	S	.	.	H	α-helix	trans	-61.1	-42.2	175.9	-167.5	0	0	0	0	111.7	E76 E77 L78 K83 K84	E76-S80 WeakPolarHBondContact O-CB 3.49Å; E76-S80 PolarHBondContact O-N 3.41Å; E77-S80 WeakPolarHBondContact O-CB 3.5Å; E77-S80 PolarHBondContact O-N 3.28Å; L78-S80 VanDerWaalsContact C-N 3.35Å; S80-K83 PolarHBondContact O-N 2.72Å; S80-K84 VanDerWaalsContact O-CG 3.29Å; S80-K84 WeakPolarHBondContact O-CG 3.49Å; S80-K84 PolarHBondContact O-N 2.57Å; S80-K84 VanDerWaalsContact OG-CE 3.28Å; S80-K84 WeakPolarHBondContact OG-CE 3.49Å; S80-K84 PolarHBondContact OG-NZ 2.84Å
81	D	95.9	Very high	93.9	Very high	56 Å²	56	52.3 Å²	52.3	30%	0.299	26%	0.258	S	S	.	.	H	α-helix	trans	-72.9	-37.1	-178.9	-79	-2.3	0	0	0	113.1	E77 L78 M79 K84 T85	E77-D81 WeakPolarHBondContact O-CB 3.44Å; E77-D81 PolarHBondContact O-N 2.67Å; L78-D81 PolarHBondContact O-N 3Å; M79-D81 VanDerWaalsContact C-N 3.33Å; M79-D81 PolarHBondContact O-N 3.24Å; D81-K84 PolarHBondContact O-N 2.95Å; D81-K84 IonicContact OD1-NZ 2.78Å; D81-K84 PolarHBondContact OD1-NZ 3.23Å; D81-K84 VanDerWaalsContact OD1-NZ 3.15Å; D81-T85 VanDerWaalsContact O-CB 3.25Å; D81-T85 WeakPolarHBondContact O-CB 3.32Å; D81-T85 PolarHBondContact O-N 3.11Å; D81-T85 PolarHBondContact O-OG1 3.09Å
82	I	95.1	Very high	94	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-57.3	-51.1	168.7	-72.9	168.6	0	0	0	109.3	I47 N50 V51 V54 L78 M79 K84 T85 A86 Y134	I47-I82 HydrophobicContact CG2-CG2 4.17Å; N50-I82 HydrophobicContact CB-CD1 3.93Å; N50-I82 HydrophobicContact CB-CG1 3.63Å; V51-I82 HydrophobicContact CG2-CD1 4.15Å; V54-I82 HydrophobicContact CG2-CD1 3.86Å; L78-I82 VanDerWaalsContact O-CG1 3.31Å; L78-I82 WeakPolarHBondContact O-CG1 3.5Å; L78-I82 PolarHBondContact O-N 2.96Å; M79-I82 PolarHBondContact O-N 2.86Å; I82-K84 PolarHBondContact O-N 2.97Å; I82-T85 PolarHBondContact O-N 3.41Å; I82-A86 WeakPolarHBondContact O-CB 3.42Å; I82-A86 PolarHBondContact O-N 2.99Å; I82-Y134 HydrophobicContact CD1-CD2 3.79Å; I82-Y134 HydrophobicContact CD1-CE2 3.52Å; I82-Y134 HydrophobicContact CG2-CD2 4.38Å; I82-Y134 HydrophobicContact CG2-CE1 4.46Å; I82-Y134 HydrophobicContact CG2-CE2 4.25Å; I82-Y134 HydrophobicContact CG2-CG 4.47Å
83	K	92.9	Very high	94.1	Very high	64 Å²	64	52.9 Å²	52.9	28%	0.278	26%	0.259	S	S	.	.	H	α-helix	trans	-58.3	-47.1	179.1	179.5	-176.1	-179.9	-179.1	0	112.7	M79 S80 N87 E211 L212	M79-K83 WeakPolarHBondContact O-CB 3.33Å; M79-K83 PolarHBondContact O-N 3.46Å; S80-K83 PolarHBondContact O-N 2.72Å; K83-N87 WeakPolarHBondContact O-CB 3.45Å; K83-N87 PolarHBondContact O-N 3.47Å; K83-N87 PolarHBondContact O-ND2 2.86Å; K83-E211 WeakPolarHBondContact CD-OE2 3.39Å; K83-E211 WeakPolarHBondContact CE-OE2 3.5Å; K83-E211 IonicContact NZ-OE1 2.82Å; K83-E211 PolarHBondContact NZ-OE1 2.89Å; K83-E211 VanDerWaalsContact NZ-OE1 3.15Å; K83-E211 IonicContact NZ-OE2 3.74Å; K83-E211 PolarHBondContact NZ-OE2 3.31Å; K83-L212 HydrophobicContact CB-CD2 4.49Å; K83-L212 HydrophobicContact CG-CD2 4.37Å
84	K	94.8	Very high	94	Very high	111 Å²	111	51.5 Å²	51.5	48%	0.483	25%	0.251	S	S	.	.	H	α-helix	trans	-62.9	-46.6	179.1	-71	168	-161.2	154.2	0	111.1	S80 D81 I82 N87 K88	S80-K84 VanDerWaalsContact O-CG 3.29Å; S80-K84 WeakPolarHBondContact O-CG 3.49Å; S80-K84 PolarHBondContact O-N 2.57Å; S80-K84 VanDerWaalsContact OG-CE 3.28Å; S80-K84 WeakPolarHBondContact OG-CE 3.49Å; S80-K84 PolarHBondContact OG-NZ 2.84Å; D81-K84 PolarHBondContact O-N 2.95Å; D81-K84 IonicContact OD1-NZ 2.78Å; D81-K84 PolarHBondContact OD1-NZ 3.23Å; D81-K84 VanDerWaalsContact OD1-NZ 3.15Å; I82-K84 PolarHBondContact O-N 2.97Å; K84-N87 PolarHBondContact O-N 2.66Å; K84-K88 WeakPolarHBondContact O-CG 3.41Å; K84-K88 PolarHBondContact O-N 2.74Å; K84-K88 VanDerWaalsContact O-N 3.12Å
85	T	96.3	Very high	93.9	Very high	17 Å²	17	52 Å²	52	10%	0.104	26%	0.26	C	S	.	.	H	α-helix	trans	-68.5	-41.6	-176.9	-53.2	0	0	0	0	111.1	F43 I47 D81 I82 N87 K88 V89	F43-T85 HydrophobicContact CB-CG2 3.71Å; F43-T85 HydrophobicContact CD1-CG2 4.29Å; F43-T85 HydrophobicContact CG-CG2 4.14Å; F43-T85 WeakPolarHBondContact O-CG2 3.36Å; I47-T85 HydrophobicContact CD1-CG2 3.98Å; I47-T85 HydrophobicContact CG1-CG2 3.66Å; D81-T85 VanDerWaalsContact O-CB 3.25Å; D81-T85 WeakPolarHBondContact O-CB 3.32Å; D81-T85 PolarHBondContact O-N 3.11Å; D81-T85 PolarHBondContact O-OG1 3.09Å; I82-T85 PolarHBondContact O-N 3.41Å; T85-N87 VanDerWaalsContact C-N 3.33Å; T85-N87 PolarHBondContact O-N 3.25Å; T85-K88 WeakPolarHBondContact O-CB 3.37Å; T85-K88 PolarHBondContact O-N 3.18Å; T85-K88 VanDerWaalsContact O-N 3.1Å; T85-V89 WeakPolarHBondContact O-CG2 3.03Å; T85-V89 PolarHBondContact O-N 3.4Å
86	A	94.1	Very high	93.8	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-62.8	-38.4	176	0	0	0	0	0	112.2	I47 I82 K88 V89 R90 F127 M131 M215	I47-A86 HydrophobicContact CD1-CB 3.95Å; I82-A86 WeakPolarHBondContact O-CB 3.42Å; I82-A86 PolarHBondContact O-N 2.99Å; A86-K88 PolarHBondContact O-N 3.41Å; A86-V89 PolarHBondContact O-N 3.24Å; A86-R90 WeakPolarHBondContact O-CB 3.23Å; A86-R90 PolarHBondContact O-N 3.3Å; A86-F127 HydrophobicContact CB-CE2 3.91Å; A86-F127 HydrophobicContact CB-CZ 3.92Å; A86-M131 HydrophobicContact CB-CE 4.25Å; A86-M131 HydrophobicContact CB-SD 3.89Å; A86-M215 HydrophobicContact CB-CE 3.57Å; A86-M215 HydrophobicContact CB-SD 3.59Å; A86-M215 VanDerWaalsContact CB-SD 3.59Å
87	N	93	Very high	93.6	Very high	52 Å²	52	50.5 Å²	50.5	28%	0.278	25%	0.253	S	S	.	.	H	α-helix	trans	-64.9	-36.6	172.1	-82.4	-59.2	0	0	0	113.3	K83 K84 T85 R90 S91	K83-N87 WeakPolarHBondContact O-CB 3.45Å; K83-N87 PolarHBondContact O-N 3.47Å; K83-N87 PolarHBondContact O-ND2 2.86Å; K84-N87 PolarHBondContact O-N 2.66Å; T85-N87 VanDerWaalsContact C-N 3.33Å; T85-N87 PolarHBondContact O-N 3.25Å; N87-R90 PolarHBondContact OD1-NH2 3.41Å; N87-S91 WeakPolarHBondContact O-CB 3.37Å; N87-S91 PolarHBondContact O-N 3.09Å
88	K	95.1	Very high	93.4	Very high	112 Å²	112	50.1 Å²	50.1	49%	0.487	25%	0.252	S	S	.	.	H	α-helix	trans	-63.7	-46.2	173.6	-68.7	174.4	-178	177.8	0	111.3	F43 K84 T85 A86 S91 K92	F43-K88 HydrophobicContact CD2-CB 4.24Å; F43-K88 HydrophobicContact CE2-CB 4.2Å; F43-K88 HydrophobicContact CE2-CD 4.37Å; F43-K88 HydrophobicContact CZ-CD 4.38Å; K84-K88 WeakPolarHBondContact O-CG 3.41Å; K84-K88 PolarHBondContact O-N 2.74Å; K84-K88 VanDerWaalsContact O-N 3.12Å; T85-K88 WeakPolarHBondContact O-CB 3.37Å; T85-K88 PolarHBondContact O-N 3.18Å; T85-K88 VanDerWaalsContact O-N 3.1Å; A86-K88 PolarHBondContact O-N 3.41Å; K88-S91 PolarHBondContact O-N 3.3Å; K88-K92 WeakPolarHBondContact O-CG 3.42Å; K88-K92 PolarHBondContact O-N 3.04Å
89	V	94.8	Very high	93	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-58	-51.2	176.1	172.3	0	0	0	0	110.3	I40 F43 I44 I47 T85 A86 S91 K92 L93 F127	I40-V89 HydrophobicContact CG2-CG1 4.07Å; F43-V89 HydrophobicContact CB-CG2 3.44Å; F43-V89 VanDerWaalsContact CB-CG2 3.44Å; F43-V89 HydrophobicContact CD2-CG2 4.31Å; F43-V89 HydrophobicContact CG-CG2 4.37Å; I44-V89 HydrophobicContact CD1-CG1 4.42Å; I44-V89 HydrophobicContact CG1-CG1 4.1Å; I44-V89 HydrophobicContact CG1-CG2 4.16Å; I47-V89 HydrophobicContact CD1-CG2 4.23Å; T85-V89 WeakPolarHBondContact O-CG2 3.03Å; T85-V89 PolarHBondContact O-N 3.4Å; A86-V89 PolarHBondContact O-N 3.24Å; V89-S91 VanDerWaalsContact C-N 3.34Å; V89-S91 PolarHBondContact O-N 3.28Å; V89-K92 PolarHBondContact O-N 2.87Å; V89-L93 HydrophobicContact CG1-CD1 3.75Å; V89-L93 HydrophobicContact CG1-CG 4.24Å; V89-L93 WeakPolarHBondContact O-CG 3.43Å; V89-L93 PolarHBondContact O-N 2.92Å; V89-F127 HydrophobicContact CB-CD2 4.11Å; V89-F127 HydrophobicContact CB-CE2 3.92Å; V89-F127 HydrophobicContact CB-CZ 4.19Å; V89-F127 HydrophobicContact CG1-CB 4.09Å; V89-F127 HydrophobicContact CG1-CD1 3.86Å; V89-F127 HydrophobicContact CG1-CD2 3.51Å; V89-F127 HydrophobicContact CG1-CE1 4.12Å; V89-F127 HydrophobicContact CG1-CE2 3.8Å; V89-F127 HydrophobicContact CG1-CG 3.54Å; V89-F127 HydrophobicContact CG1-CZ 4.08Å; V89-F127 HydrophobicContact CG2-CE2 4.47Å
90	R	92	Very high	92.7	Very high	69 Å²	69	50 Å²	50	26%	0.26	25%	0.254	S	S	.	.	H	α-helix	trans	-54.4	-48.3	176.7	-178.9	176.9	65.7	157.2	-8	112.2	A86 N87 K92 L93 K94 D218 M219	A86-R90 WeakPolarHBondContact O-CB 3.23Å; A86-R90 PolarHBondContact O-N 3.3Å; N87-R90 PolarHBondContact OD1-NH2 3.41Å; R90-K92 VanDerWaalsContact C-N 3.33Å; R90-K92 PolarHBondContact O-N 2.85Å; R90-L93 PolarHBondContact O-N 3.37Å; R90-K94 WeakPolarHBondContact O-CB 3.41Å; R90-K94 PolarHBondContact O-N 3.34Å; R90-D218 IonicContact CZ-OD2 3.74Å; R90-D218 IonicContact NH1-OD2 3.77Å; R90-D218 PolarHBondContact NH1-OD2 3.17Å; R90-M219 HydrophobicContact CG-CE 4.28Å
91	S	93.1	Very high	92.4	Very high	82 Å²	82	53.1 Å²	53.1	57%	0.573	26%	0.263	S	S	*	.	H	α-helix	trans	-62.1	-40.1	-179.9	-172.6	0	0	0	0	112.5	N87 K88 V89 S95	N87-S91 WeakPolarHBondContact O-CB 3.37Å; N87-S91 PolarHBondContact O-N 3.09Å; K88-S91 PolarHBondContact O-N 3.3Å; V89-S91 VanDerWaalsContact C-N 3.34Å; V89-S91 PolarHBondContact O-N 3.28Å; S91-S95 PolarHBondContact O-N 2.98Å; S91-S95 VanDerWaalsContact O-N 3.1Å
92	K	94.3	Very high	91.9	Very high	55 Å²	55	57.2 Å²	57.2	24%	0.239	28%	0.28	C	S	.	.	H	α-helix	trans	-72.6	-41.7	179.5	-74.5	-176.4	176.6	-84.4	0	112.2	E39 I40 F43 K88 V89 R90 K94 S95 I96	E39-K92 WeakPolarHBondContact OE1-CE 3.19Å; E39-K92 IonicContact OE1-NZ 3.7Å; E39-K92 PolarHBondContact OE1-NZ 3.3Å; E39-K92 VanDerWaalsContact OE2-CE 3.29Å; E39-K92 WeakPolarHBondContact OE2-CE 3.5Å; E39-K92 IonicContact OE2-NZ 3.94Å; E39-K92 PolarHBondContact OE2-NZ 2.85Å; I40-K92 HydrophobicContact CD1-CB 3.78Å; I40-K92 HydrophobicContact CG1-CB 3.67Å; I40-K92 HydrophobicContact CG1-CD 3.87Å; I40-K92 HydrophobicContact CG1-CG 4.42Å; F43-K92 HydrophobicContact CD2-CD 4.45Å; F43-K92 HydrophobicContact CE2-CD 4.07Å; K88-K92 WeakPolarHBondContact O-CG 3.42Å; K88-K92 PolarHBondContact O-N 3.04Å; V89-K92 PolarHBondContact O-N 2.87Å; R90-K92 VanDerWaalsContact C-N 3.33Å; R90-K92 PolarHBondContact O-N 2.85Å; K92-K94 VanDerWaalsContact C-N 3.34Å; K92-K94 PolarHBondContact O-N 2.85Å; K92-S95 WeakPolarHBondContact O-CB 3.26Å; K92-S95 PolarHBondContact O-N 2.97Å; K92-S95 VanDerWaalsContact O-N 3.17Å; K92-I96 PolarHBondContact O-N 3.19Å
93	L	92.4	Very high	91.2	Very high	1 Å²	1	59 Å²	59	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-58.2	-46.9	173.3	-73.4	173.8	0	0	0	111.1	I40 V89 R90 S95 I96 E97 H120 L123 F127	I40-L93 HydrophobicContact CD1-CD2 4.34Å; I40-L93 HydrophobicContact CG2-CD2 4.37Å; V89-L93 HydrophobicContact CG1-CD1 3.75Å; V89-L93 HydrophobicContact CG1-CG 4.24Å; V89-L93 WeakPolarHBondContact O-CG 3.43Å; V89-L93 PolarHBondContact O-N 2.92Å; R90-L93 PolarHBondContact O-N 3.37Å; L93-S95 VanDerWaalsContact C-N 3.27Å; L93-S95 PolarHBondContact O-N 2.92Å; L93-I96 WeakPolarHBondContact O-CB 3.4Å; L93-I96 PolarHBondContact O-N 2.88Å; L93-E97 PolarHBondContact O-N 3.42Å; L93-H120 PolarHBondContact O-CD2 3.1Å; L93-H120 PolarHBondContact O-NE2 3.26Å; L93-L123 HydrophobicContact CD2-CB 3.78Å; L93-L123 HydrophobicContact CD2-CD1 4.48Å; L93-F127 HydrophobicContact CD1-CB 4.39Å; L93-F127 HydrophobicContact CD1-CD1 4.06Å; L93-F127 HydrophobicContact CD1-CG 4.47Å
94	K	90.7	Very high	90.6	Very high	107 Å²	107	60.1 Å²	60.1	47%	0.465	30%	0.295	S	S	.	.	H	α-helix	trans	-61.2	-34.1	176.3	-168.2	165.2	-171.4	163.1	0	113.3	R90 K92 E97 Q98	R90-K94 WeakPolarHBondContact O-CB 3.41Å; R90-K94 PolarHBondContact O-N 3.34Å; K92-K94 VanDerWaalsContact C-N 3.34Å; K92-K94 PolarHBondContact O-N 2.85Å; K94-E97 PolarHBondContact O-N 3.3Å; K94-Q98 WeakPolarHBondContact O-CG 3.45Å; K94-Q98 PolarHBondContact O-N 3.36Å
95	S	92.9	Very high	89.7	Confident	64 Å²	64	58.1 Å²	58.1	45%	0.448	31%	0.306	S	S	.	.	H	α-helix	trans	-66.5	-38.3	173.6	-170.3	0	0	0	0	112.2	S91 K92 L93 S99	S91-S95 PolarHBondContact O-N 2.98Å; S91-S95 VanDerWaalsContact O-N 3.1Å; K92-S95 WeakPolarHBondContact O-CB 3.26Å; K92-S95 PolarHBondContact O-N 2.97Å; K92-S95 VanDerWaalsContact O-N 3.17Å; L93-S95 VanDerWaalsContact C-N 3.27Å; L93-S95 PolarHBondContact O-N 2.92Å; S95-S99 PolarHBondContact O-N 3.47Å; S95-S99 VanDerWaalsContact O-N 3.14Å
96	I	91	Very high	88.7	Confident	3 Å²	3	62.5 Å²	62.5	2%	0.015	33%	0.328	C	S	.	.	H	α-helix	trans	-68.6	-42.5	175.6	-65.7	171.8	0	0	0	110.1	F33 I40 K92 L93 Q98 S99 I100 H120	F33-I96 HydrophobicContact CE2-CD1 4.09Å; F33-I96 HydrophobicContact CE2-CG1 4.26Å; F33-I96 HydrophobicContact CE2-CG2 3.99Å; I40-I96 HydrophobicContact CD1-CD1 3.44Å; I40-I96 VanDerWaalsContact CD1-CD1 3.44Å; K92-I96 PolarHBondContact O-N 3.19Å; L93-I96 WeakPolarHBondContact O-CB 3.4Å; L93-I96 PolarHBondContact O-N 2.88Å; I96-Q98 PolarHBondContact O-N 3.43Å; I96-S99 WeakPolarHBondContact O-CB 3.4Å; I96-S99 PolarHBondContact O-N 3.25Å; I96-I100 HydrophobicContact CG2-CD1 3.87Å; I96-I100 HydrophobicContact CG2-CG1 4.42Å; I96-I100 WeakPolarHBondContact O-CG1 3.35Å; I96-I100 PolarHBondContact O-N 2.97Å; I96-H120 HydrophobicContact CG2-CB 3.85Å
97	E	89.2	Confident	87.2	Confident	52 Å²	52	69.8 Å²	69.8	24%	0.243	37%	0.367	C	S	.	.	H	α-helix	trans	-55.5	-50.8	175.1	-176.2	176.4	-146.9	0	0	111.7	L93 K94 S99 I100 E101	L93-E97 PolarHBondContact O-N 3.42Å; K94-E97 PolarHBondContact O-N 3.3Å; E97-S99 VanDerWaalsContact C-N 3.29Å; E97-S99 PolarHBondContact O-N 2.97Å; E97-I100 WeakPolarHBondContact O-CB 3.45Å; E97-I100 PolarHBondContact O-N 3.27Å; E97-E101 PolarHBondContact O-N 3.41Å
98	Q	90.3	Very high	85.7	Confident	112 Å²	112	74.6 Å²	74.6	52%	0.523	38%	0.381	S	S	.	.	H	α-helix	trans	-60.7	-37.5	176.4	-72.4	177.2	-6.2	0	0	112.7	K94 I96 I100 E101 Q102	K94-Q98 WeakPolarHBondContact O-CG 3.45Å; K94-Q98 PolarHBondContact O-N 3.36Å; I96-Q98 PolarHBondContact O-N 3.43Å; Q98-I100 VanDerWaalsContact C-N 3.34Å; Q98-E101 PolarHBondContact O-N 3.28Å; Q98-Q102 WeakPolarHBondContact O-CB 3.24Å; Q98-Q102 PolarHBondContact O-N 3.46Å
99	S	88	Confident	84.3	Confident	30 Å²	30	71.9 Å²	71.9	21%	0.21	38%	0.376	C	S	.	.	H	α-helix	trans	-64.4	-38.9	174.7	172.7	0	0	0	0	111.8	S95 I96 E97 E103 R116	S95-S99 PolarHBondContact O-N 3.47Å; S95-S99 VanDerWaalsContact O-N 3.14Å; I96-S99 WeakPolarHBondContact O-CB 3.4Å; I96-S99 PolarHBondContact O-N 3.25Å; E97-S99 VanDerWaalsContact C-N 3.29Å; E97-S99 PolarHBondContact O-N 2.97Å; S99-E103 WeakPolarHBondContact O-CG 3.37Å; S99-E103 PolarHBondContact O-N 2.9Å; S99-E103 VanDerWaalsContact O-N 3.16Å; S99-R116 PolarHBondContact OG-NH1 3.48Å
100	I	87.1	Confident	83.2	Confident	14 Å²	14	73.6 Å²	73.6	7%	0.072	39%	0.388	C	S	.	.	H	α-helix	trans	-64.3	-50.2	175.9	-70.2	162.6	0	0	0	110.1	I96 E97 Q98 Q102 E103 E104 L113 R116 K117 H120	I96-I100 HydrophobicContact CG2-CD1 3.87Å; I96-I100 HydrophobicContact CG2-CG1 4.42Å; I96-I100 WeakPolarHBondContact O-CG1 3.35Å; I96-I100 PolarHBondContact O-N 2.97Å; E97-I100 WeakPolarHBondContact O-CB 3.45Å; E97-I100 PolarHBondContact O-N 3.27Å; Q98-I100 VanDerWaalsContact C-N 3.34Å; I100-Q102 VanDerWaalsContact C-N 3.29Å; I100-Q102 PolarHBondContact O-N 3.22Å; I100-E103 PolarHBondContact O-N 3.03Å; I100-E103 VanDerWaalsContact O-N 3.15Å; I100-E104 HydrophobicContact CG2-CG 4.46Å; I100-E104 WeakPolarHBondContact O-CG 3.41Å; I100-E104 PolarHBondContact O-N 3.05Å; I100-L113 HydrophobicContact CB-CD1 4.41Å; I100-L113 HydrophobicContact CG2-CD1 3.96Å; I100-R116 HydrophobicContact CD1-CB 4.27Å; I100-R116 HydrophobicContact CG1-CB 3.89Å; I100-K117 HydrophobicContact CD1-CG 4.12Å; I100-K117 HydrophobicContact CG1-CG 4.3Å; I100-K117 HydrophobicContact CG2-CD 4.32Å; I100-K117 HydrophobicContact CG2-CG 3.66Å; I100-H120 HydrophobicContact CD1-CB 3.84Å
101	E	87.1	Confident	82.4	Confident	114 Å²	114	72.7 Å²	72.7	53%	0.533	40%	0.396	S	S	.	.	H	α-helix	trans	-58.9	-40.5	179.8	-69.7	178.4	168.4	0	0	112	E97 Q98 E104 G105	E97-E101 PolarHBondContact O-N 3.41Å; Q98-E101 PolarHBondContact O-N 3.28Å; E101-E104 PolarHBondContact O-N 3.06Å; E101-G105 PolarHBondContact O-N 3.04Å
102	Q	86	Confident	81.9	Confident	143 Å²	143	70.5 Å²	70.5	67%	0.668	38%	0.377	S	S	*	.	H	α-helix	trans	-63.7	-42	177	-173.1	-179.9	12	0	0	112.1	Q98 I100 G105	Q98-Q102 WeakPolarHBondContact O-CB 3.24Å; Q98-Q102 PolarHBondContact O-N 3.46Å; I100-Q102 VanDerWaalsContact C-N 3.29Å; I100-Q102 PolarHBondContact O-N 3.22Å; Q102-G105 PolarHBondContact O-N 3.39Å
103	E	80.4	Confident	81.3	Confident	36 Å²	36	68.2 Å²	68.2	17%	0.168	37%	0.368	C	S	.	.	H	α-helix	trans	-70.9	-34.9	178.2	-75	-139.5	-175.4	0	0	112.9	S99 I100 L106 L113	S99-E103 WeakPolarHBondContact O-CG 3.37Å; S99-E103 PolarHBondContact O-N 2.9Å; S99-E103 VanDerWaalsContact O-N 3.16Å; I100-E103 PolarHBondContact O-N 3.03Å; I100-E103 VanDerWaalsContact O-N 3.15Å; E103-L106 PolarHBondContact O-N 3.39Å; E103-L113 HydrophobicContact CB-CD1 3.93Å
104	E	79.9	Confident	80.8	Confident	89 Å²	89	71.7 Å²	71.7	42%	0.416	38%	0.381	S	S	.	.	H	α-helix	trans	-62.7	-41.6	172.7	-74.7	-173.2	133.5	0	0	112.4	I100 E101 L106 N107 L113 K117	I100-E104 HydrophobicContact CG2-CG 4.46Å; I100-E104 WeakPolarHBondContact O-CG 3.41Å; I100-E104 PolarHBondContact O-N 3.05Å; E101-E104 PolarHBondContact O-N 3.06Å; E104-L106 PolarHBondContact O-N 3.08Å; E104-L106 VanDerWaalsContact O-N 3.15Å; E104-N107 WeakPolarHBondContact O-CA 3.36Å; E104-N107 PolarHBondContact O-N 3.38Å; E104-L113 HydrophobicContact CG-CD1 4.31Å; E104-L113 HydrophobicContact CG-CD2 3.95Å; E104-K117 WeakPolarHBondContact OE1-CE 3.49Å; E104-K117 IonicContact OE1-NZ 2.67Å; E104-K117 PolarHBondContact OE1-NZ 3.43Å
105	G	75.4	Confident	80.5	Confident	69 Å²	69	68.9 Å²	68.9	71%	0.711	37%	0.37	S	S	*	.	H	α-helix	trans	-60.5	-22.5	176.1	0	0	0	0	0	113.8	E101 Q102 N107	E101-G105 PolarHBondContact O-N 3.04Å; Q102-G105 PolarHBondContact O-N 3.39Å; G105-N107 VanDerWaalsContact C-N 3.33Å
106	L	75.8	Confident	80.3	Confident	109 Å²	109	67.8 Å²	67.8	57%	0.571	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	3.8	175.5	-62.4	173.9	0	0	0	113.2	E103 E104 R108	E103-L106 PolarHBondContact O-N 3.39Å; E104-L106 PolarHBondContact O-N 3.08Å; E104-L106 VanDerWaalsContact O-N 3.15Å; L106-R108 HydrophobicContact CB-CG 4.2Å; L106-R108 PolarHBondContact O-N 3.22Å
107	N	62.4	Low	80	Confident	153 Å²	153	70.8 Å²	70.8	82%	0.818	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	29.9	-179.7	-137.4	-9.2	0	0	0	113.3	E104 G105 S109	E104-N107 WeakPolarHBondContact O-CA 3.36Å; E104-N107 PolarHBondContact O-N 3.38Å; G105-N107 VanDerWaalsContact C-N 3.33Å; N107-S109 PolarHBondContact O-N 3.08Å
108	R	62.3	Low	79.9	Confident	153 Å²	153	70.6 Å²	70.6	58%	0.577	37%	0.372	S	S	*	.			trans	-89.5	83.7	177.6	-71.6	-175.9	173.7	-175.7	-0.8	109.6	L106 S110 L113	L106-R108 HydrophobicContact CB-CG 4.2Å; L106-R108 PolarHBondContact O-N 3.22Å; R108-S110 PolarHBondContact O-N 2.93Å; R108-L113 WeakPolarHBondContact O-CD2 3.39Å
109	S	64.2	Low	79.8	Confident	55 Å²	55	68 Å²	68	39%	0.385	36%	0.36	S	S	.	.			trans	-75.4	61.8	170.9	-170.5	0	0	0	0	111.5	N107 Y243	N107-S109 PolarHBondContact O-N 3.08Å; S109-Y243 VanDerWaalsContact C-OH 3.32Å; S109-Y243 WeakPolarHBondContact CB-OH 3.33Å; S109-Y243 WeakPolarHBondContact O-CE2 3.44Å; S109-Y243 PolarHBondContact O-OH 3.15Å
110	S	73.7	Confident	80	Confident	35 Å²	35	67 Å²	67	25%	0.245	35%	0.352	C	S	.	.			trans	-84.4	166.3	-174	68.9	0	0	0	0	112.5	R108 D112 L113 R114	R108-S110 PolarHBondContact O-N 2.93Å; S110-D112 PolarHBondContact O-N 3.47Å; S110-D112 WeakPolarHBondContact OG-CB 3.43Å; S110-D112 PolarHBondContact OG-N 3.26Å; S110-L113 PolarHBondContact O-N 3.38Å; S110-L113 PolarHBondContact OG-N 2.94Å; S110-R114 PolarHBondContact O-N 3.24Å
111	A	75.1	Confident	80	Confident	51 Å²	51	66.6 Å²	66.6	42%	0.421	35%	0.35	S	S	.	.	H	α-helix	trans	-60.3	-35.2	166.9	0	0	0	0	0	111.5	R114 I115	A111-R114 PolarHBondContact O-N 2.99Å; A111-I115 VanDerWaalsContact O-CG1 3.28Å; A111-I115 WeakPolarHBondContact O-CG1 3.04Å; A111-I115 PolarHBondContact O-N 3.33Å; A111-I115 VanDerWaalsContact O-N 3.08Å
112	D	81.3	Confident	80	Confident	35 Å²	35	64.2 Å²	64.2	19%	0.187	34%	0.344	C	S	.	.	H	α-helix	trans	-58.6	-53.1	175.2	178.8	113.9	0	0	0	111.4	M30 S110 R114 I115 R116	M30-D112 VanDerWaalsContact CG-OD1 3.27Å; M30-D112 WeakPolarHBondContact CG-OD1 3.48Å; M30-D112 HydrophobicContact SD-CB 3.92Å; S110-D112 PolarHBondContact O-N 3.47Å; S110-D112 WeakPolarHBondContact OG-CB 3.43Å; S110-D112 PolarHBondContact OG-N 3.26Å; D112-R114 VanDerWaalsContact C-N 3.29Å; D112-R114 PolarHBondContact O-N 3.34Å; D112-I115 PolarHBondContact O-N 2.85Å; D112-R116 WeakPolarHBondContact O-CG 3.45Å; D112-R116 PolarHBondContact O-N 3.1Å; D112-R116 IonicContact OD1-NE 2.74Å; D112-R116 IonicContact OD1-NH2 2.85Å; D112-R116 WeakPolarHBondContact OD2-CD 3.31Å; D112-R116 IonicContact OD2-CZ 3.82Å; D112-R116 IonicContact OD2-NE 3.75Å; D112-R116 PolarHBondContact OD2-NE 3.37Å; D112-R116 IonicContact OD2-NH2 3.34Å
113	L	82.9	Confident	80.4	Confident	7 Å²	7	57.7 Å²	57.7	4%	0.037	31%	0.313	C	S	.	.	H	α-helix	trans	-57.2	-41.2	178.8	179.9	61.5	0	0	0	112.5	I100 E103 E104 R108 S110 R116 K117	I100-L113 HydrophobicContact CB-CD1 4.41Å; I100-L113 HydrophobicContact CG2-CD1 3.96Å; E103-L113 HydrophobicContact CB-CD1 3.93Å; E104-L113 HydrophobicContact CG-CD1 4.31Å; E104-L113 HydrophobicContact CG-CD2 3.95Å; R108-L113 WeakPolarHBondContact O-CD2 3.39Å; S110-L113 PolarHBondContact O-N 3.38Å; S110-L113 PolarHBondContact OG-N 2.94Å; L113-R116 PolarHBondContact O-N 3.02Å; L113-K117 HydrophobicContact CD1-CG 4.48Å; L113-K117 HydrophobicContact CG-CD 4.44Å; L113-K117 WeakPolarHBondContact O-CG 3.38Å; L113-K117 PolarHBondContact O-N 2.97Å
114	R	80.4	Confident	80.9	Confident	74 Å²	74	56 Å²	56	28%	0.279	31%	0.306	S	S	.	.	H	α-helix	trans	-65.6	-40.2	177.8	-72.9	-175.1	-69	162.9	-2.4	112.2	S110 A111 D112 T118	S110-R114 PolarHBondContact O-N 3.24Å; A111-R114 PolarHBondContact O-N 2.99Å; D112-R114 VanDerWaalsContact C-N 3.29Å; D112-R114 PolarHBondContact O-N 3.34Å; R114-T118 WeakPolarHBondContact O-CB 3.23Å; R114-T118 PolarHBondContact O-N 3.3Å; R114-T118 PolarHBondContact O-OG1 2.96Å
115	I	84.8	Confident	81.2	Confident	49 Å²	49	57 Å²	57	25%	0.251	31%	0.305	S	S	.	.	H	α-helix	trans	-66.1	-44.5	176.4	-61.7	162.4	0	0	0	109.7	F29 M30 F33 F34 A111 D112 K117 T118 Q119	F29-I115 HydrophobicContact CE1-CD1 3.67Å; F29-I115 HydrophobicContact CZ-CD1 3.85Å; M30-I115 HydrophobicContact CE-CB 3.68Å; M30-I115 HydrophobicContact CE-CD1 3.68Å; M30-I115 HydrophobicContact CE-CG1 4.29Å; M30-I115 HydrophobicContact CE-CG2 3.39Å; M30-I115 HydrophobicContact SD-CB 4.49Å; M30-I115 HydrophobicContact SD-CD1 4.4Å; F33-I115 HydrophobicContact CE1-CG2 4.3Å; F34-I115 HydrophobicContact CE1-CG2 4.26Å; F34-I115 HydrophobicContact CZ-CG2 4.19Å; A111-I115 VanDerWaalsContact O-CG1 3.28Å; A111-I115 WeakPolarHBondContact O-CG1 3.04Å; A111-I115 PolarHBondContact O-N 3.33Å; A111-I115 VanDerWaalsContact O-N 3.08Å; D112-I115 PolarHBondContact O-N 2.85Å; I115-K117 PolarHBondContact O-N 2.96Å; I115-T118 PolarHBondContact O-N 3.49Å; I115-Q119 HydrophobicContact CG2-CG 3.97Å; I115-Q119 WeakPolarHBondContact O-CB 3.29Å; I115-Q119 VanDerWaalsContact O-CG 3.29Å; I115-Q119 WeakPolarHBondContact O-CG 3.49Å; I115-Q119 PolarHBondContact O-N 3.39Å
116	R	88.9	Confident	82	Confident	40 Å²	40	57.7 Å²	57.7	15%	0.151	29%	0.289	C	S	.	.	H	α-helix	trans	-55.8	-49.9	176.4	-68.8	-179.1	-174.7	-94.3	-10.4	112.4	F33 S99 I100 D112 L113 T118 Q119 H120	F33-R116 HydrophobicContact CD1-CG 4.37Å; F33-R116 HydrophobicContact CD2-CG 4.08Å; F33-R116 HydrophobicContact CE1-CG 4.13Å; F33-R116 HydrophobicContact CE2-CB 4.26Å; F33-R116 HydrophobicContact CE2-CG 3.83Å; F33-R116 HydrophobicContact CG-CG 4.34Å; F33-R116 HydrophobicContact CZ-CB 4.11Å; F33-R116 HydrophobicContact CZ-CG 3.87Å; S99-R116 PolarHBondContact OG-NH1 3.48Å; I100-R116 HydrophobicContact CD1-CB 4.27Å; I100-R116 HydrophobicContact CG1-CB 3.89Å; D112-R116 WeakPolarHBondContact O-CG 3.45Å; D112-R116 PolarHBondContact O-N 3.1Å; D112-R116 IonicContact OD1-NE 2.74Å; D112-R116 IonicContact OD1-NH2 2.85Å; D112-R116 WeakPolarHBondContact OD2-CD 3.31Å; D112-R116 IonicContact OD2-CZ 3.82Å; D112-R116 IonicContact OD2-NE 3.75Å; D112-R116 PolarHBondContact OD2-NE 3.37Å; D112-R116 IonicContact OD2-NH2 3.34Å; L113-R116 PolarHBondContact O-N 3.02Å; R116-T118 PolarHBondContact O-N 3.05Å; R116-Q119 PolarHBondContact O-N 3.16Å; R116-H120 VanDerWaalsContact O-CB 3.26Å; R116-H120 WeakPolarHBondContact O-CB 3.3Å; R116-H120 PolarHBondContact O-N 2.93Å
117	K	85.8	Confident	82.8	Confident	67 Å²	67	52.5 Å²	52.5	29%	0.291	26%	0.261	S	S	.	.	H	α-helix	trans	-58.8	-47.1	176.7	-75.6	179.7	172	-169.5	0	113	I100 E104 L113 I115 S121	I100-K117 HydrophobicContact CD1-CG 4.12Å; I100-K117 HydrophobicContact CG1-CG 4.3Å; I100-K117 HydrophobicContact CG2-CD 4.32Å; I100-K117 HydrophobicContact CG2-CG 3.66Å; E104-K117 WeakPolarHBondContact OE1-CE 3.49Å; E104-K117 IonicContact OE1-NZ 2.67Å; E104-K117 PolarHBondContact OE1-NZ 3.43Å; L113-K117 HydrophobicContact CD1-CG 4.48Å; L113-K117 HydrophobicContact CG-CD 4.44Å; L113-K117 WeakPolarHBondContact O-CG 3.38Å; L113-K117 PolarHBondContact O-N 2.97Å; I115-K117 PolarHBondContact O-N 2.96Å; K117-S121 WeakPolarHBondContact O-CB 3.36Å; K117-S121 PolarHBondContact O-N 3.42Å
118	T	85.1	Confident	84.2	Confident	48 Å²	48	46.9 Å²	46.9	29%	0.294	23%	0.233	S	C	.	.	H	α-helix	trans	-65.5	-43.8	-177.8	-53.3	0	0	0	0	111.2	R114 I115 R116 S121 T122	R114-T118 WeakPolarHBondContact O-CB 3.23Å; R114-T118 PolarHBondContact O-N 3.3Å; R114-T118 PolarHBondContact O-OG1 2.96Å; I115-T118 PolarHBondContact O-N 3.49Å; R116-T118 PolarHBondContact O-N 3.05Å; T118-S121 PolarHBondContact O-N 3.21Å; T118-T122 WeakPolarHBondContact O-CB 3.41Å; T118-T122 PolarHBondContact O-N 3.14Å; T118-T122 PolarHBondContact O-OG1 2.8Å
119	Q	90	Very high	85.6	Confident	57 Å²	57	45.9 Å²	45.9	27%	0.266	24%	0.235	S	C	.	.	H	α-helix	trans	-67.1	-45.6	177.9	-70.5	-64.7	-11.1	0	0	111.6	F33 V37 I115 R116 S121 T122 L123	F33-Q119 HydrophobicContact CE1-CB 4.06Å; F33-Q119 HydrophobicContact CE1-CG 3.98Å; F33-Q119 HydrophobicContact CZ-CB 3.79Å; F33-Q119 HydrophobicContact CZ-CG 4.24Å; V37-Q119 HydrophobicContact CG2-CB 4.05Å; V37-Q119 HydrophobicContact CG2-CG 4.35Å; I115-Q119 HydrophobicContact CG2-CG 3.97Å; I115-Q119 WeakPolarHBondContact O-CB 3.29Å; I115-Q119 VanDerWaalsContact O-CG 3.29Å; I115-Q119 WeakPolarHBondContact O-CG 3.49Å; I115-Q119 PolarHBondContact O-N 3.39Å; R116-Q119 PolarHBondContact O-N 3.16Å; Q119-S121 VanDerWaalsContact C-N 3.33Å; Q119-S121 PolarHBondContact O-N 3.41Å; Q119-T122 PolarHBondContact O-N 3.4Å; Q119-L123 WeakPolarHBondContact O-CB 3.48Å; Q119-L123 VanDerWaalsContact O-CG 3.29Å; Q119-L123 WeakPolarHBondContact O-CG 3.14Å; Q119-L123 PolarHBondContact O-N 3.47Å
120	H	90.5	Very high	87	Confident	9 Å²	9	44.3 Å²	44.3	4%	0.042	22%	0.223	C	C	.	.	H	α-helix	trans	-53.2	-51.8	174	179.1	-106.6	0	0	0	110.8	L93 I96 I100 R116 T122 L123 S124 Q226	L93-H120 PolarHBondContact O-CD2 3.1Å; L93-H120 PolarHBondContact O-NE2 3.26Å; I96-H120 HydrophobicContact CG2-CB 3.85Å; I100-H120 HydrophobicContact CD1-CB 3.84Å; R116-H120 VanDerWaalsContact O-CB 3.26Å; R116-H120 WeakPolarHBondContact O-CB 3.3Å; R116-H120 PolarHBondContact O-N 2.93Å; H120-T122 PolarHBondContact O-N 3.25Å; H120-L123 PolarHBondContact O-N 3.21Å; H120-S124 WeakPolarHBondContact O-CB 3.47Å; H120-S124 PolarHBondContact O-N 2.97Å; H120-S124 PolarHBondContact O-OG 3.43Å; H120-Q226 PolarHBondContact CE1-NE2 2.96Å; H120-Q226 PolarHBondContact ND1-NE2 3.36Å
121	S	87.5	Confident	87.9	Confident	5 Å²	5	42.9 Å²	42.9	4%	0.035	21%	0.212	C	C	.	.	H	α-helix	trans	-61.1	-43.3	-179.8	-167.2	0	0	0	0	113.4	K117 T118 Q119 S124 R125 Q226	K117-S121 WeakPolarHBondContact O-CB 3.36Å; K117-S121 PolarHBondContact O-N 3.42Å; T118-S121 PolarHBondContact O-N 3.21Å; Q119-S121 VanDerWaalsContact C-N 3.33Å; Q119-S121 PolarHBondContact O-N 3.41Å; S121-S124 PolarHBondContact O-N 3.37Å; S121-R125 WeakPolarHBondContact O-CB 3.5Å; S121-R125 PolarHBondContact O-N 2.87Å; S121-Q226 PolarHBondContact OG-OE1 2.66Å
122	T	88.3	Confident	88.7	Confident	65 Å²	65	43.4 Å²	43.4	40%	0.399	21%	0.213	S	C	.	.	H	α-helix	trans	-63.3	-46.1	178.6	-57.5	0	0	0	0	111.5	T118 Q119 H120 R125 K126	T118-T122 WeakPolarHBondContact O-CB 3.41Å; T118-T122 PolarHBondContact O-N 3.14Å; T118-T122 PolarHBondContact O-OG1 2.8Å; Q119-T122 PolarHBondContact O-N 3.4Å; H120-T122 PolarHBondContact O-N 3.25Å; T122-R125 PolarHBondContact O-N 2.91Å; T122-K126 PolarHBondContact O-N 3.34Å; T122-K126 VanDerWaalsContact O-N 3.1Å
123	L	92.7	Very high	89.3	Confident	6 Å²	6	45.9 Å²	45.9	3%	0.031	22%	0.223	C	C	.	.	H	α-helix	trans	-66.9	-43.5	179.3	-69.1	171.6	0	0	0	111.7	V37 I40 R41 I44 L93 Q119 H120 R125 K126 F127	V37-L123 HydrophobicContact CB-CD1 4.31Å; V37-L123 HydrophobicContact CG1-CD1 4.1Å; V37-L123 HydrophobicContact CG2-CD1 4.09Å; I40-L123 HydrophobicContact CB-CD1 4.11Å; I40-L123 HydrophobicContact CD1-CD1 4.01Å; I40-L123 HydrophobicContact CG2-CB 4.26Å; I40-L123 HydrophobicContact CG2-CD1 3.99Å; I40-L123 HydrophobicContact CG2-CD2 4.13Å; I40-L123 HydrophobicContact CG2-CG 4.37Å; R41-L123 HydrophobicContact CB-CD2 4.2Å; I44-L123 HydrophobicContact CD1-CD2 4.28Å; L93-L123 HydrophobicContact CD2-CB 3.78Å; L93-L123 HydrophobicContact CD2-CD1 4.48Å; Q119-L123 WeakPolarHBondContact O-CB 3.48Å; Q119-L123 VanDerWaalsContact O-CG 3.29Å; Q119-L123 WeakPolarHBondContact O-CG 3.14Å; Q119-L123 PolarHBondContact O-N 3.47Å; H120-L123 PolarHBondContact O-N 3.21Å; L123-R125 VanDerWaalsContact C-N 3.33Å; L123-R125 PolarHBondContact O-N 3.12Å; L123-K126 PolarHBondContact O-N 3.3Å; L123-F127 WeakPolarHBondContact O-CB 3.4Å; L123-F127 PolarHBondContact O-N 3.36Å
124	S	91.1	Very high	89.8	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.007	22%	0.221	C	C	.	.	H	α-helix	trans	-59.3	-43.7	176.5	-64.1	0	0	0	0	111.8	H120 S121 F127 V128 L222	H120-S124 WeakPolarHBondContact O-CB 3.47Å; H120-S124 PolarHBondContact O-N 2.97Å; H120-S124 PolarHBondContact O-OG 3.43Å; S121-S124 PolarHBondContact O-N 3.37Å; S124-F127 PolarHBondContact O-N 3.45Å; S124-V128 WeakPolarHBondContact O-CG2 3.4Å; S124-V128 PolarHBondContact O-N 3.46Å; S124-L222 VanDerWaalsContact CB-CD2 3.46Å; S124-L222 WeakPolarHBondContact OG-CD2 3.48Å
125	R	87.6	Confident	90.4	Very high	109 Å²	109	45 Å²	45	41%	0.411	22%	0.224	S	C	.	.	H	α-helix	trans	-63.2	-47.7	177.2	-171.5	-177.1	-54.5	-79	-4.8	112.1	S121 T122 L123 F127 V128 E129	S121-R125 WeakPolarHBondContact O-CB 3.5Å; S121-R125 PolarHBondContact O-N 2.87Å; T122-R125 PolarHBondContact O-N 2.91Å; L123-R125 VanDerWaalsContact C-N 3.33Å; L123-R125 PolarHBondContact O-N 3.12Å; R125-F127 VanDerWaalsContact C-N 3.28Å; R125-F127 PolarHBondContact O-N 2.93Å; R125-V128 PolarHBondContact O-N 3.47Å; R125-E129 WeakPolarHBondContact O-CB 3.49Å; R125-E129 PolarHBondContact O-N 3.44Å
126	K	91.8	Very high	90.8	Very high	83 Å²	83	45 Å²	45	36%	0.361	23%	0.231	S	C	.	.	H	α-helix	trans	-60.1	-39.9	176.2	-78.6	-168.7	169.7	-164.6	0	112.2	I44 T122 L123 E129 V130	I44-K126 HydrophobicContact CD1-CB 4.43Å; I44-K126 HydrophobicContact CG2-CB 4.4Å; T122-K126 PolarHBondContact O-N 3.34Å; T122-K126 VanDerWaalsContact O-N 3.1Å; L123-K126 PolarHBondContact O-N 3.3Å; K126-E129 PolarHBondContact O-N 3.08Å; K126-V130 WeakPolarHBondContact O-CG2 3.46Å; K126-V130 PolarHBondContact O-N 2.96Å; K126-V130 VanDerWaalsContact O-N 3.1Å
127	F	93	Very high	91.1	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-64.1	-45.7	176.7	178.2	-124.7	0	0	0	111.6	I44 I47 A86 V89 L93 L123 S124 R125 E129 V130 M131 M215 M219	I44-F127 HydrophobicContact CD1-CB 3.93Å; I44-F127 HydrophobicContact CG1-CB 4.14Å; I44-F127 HydrophobicContact CG1-CD2 4.26Å; I47-F127 HydrophobicContact CD1-CD2 4.27Å; I47-F127 HydrophobicContact CD1-CE2 3.82Å; A86-F127 HydrophobicContact CB-CE2 3.91Å; A86-F127 HydrophobicContact CB-CZ 3.92Å; V89-F127 HydrophobicContact CB-CD2 4.11Å; V89-F127 HydrophobicContact CB-CE2 3.92Å; V89-F127 HydrophobicContact CB-CZ 4.19Å; V89-F127 HydrophobicContact CG1-CB 4.09Å; V89-F127 HydrophobicContact CG1-CD1 3.86Å; V89-F127 HydrophobicContact CG1-CD2 3.51Å; V89-F127 HydrophobicContact CG1-CE1 4.12Å; V89-F127 HydrophobicContact CG1-CE2 3.8Å; V89-F127 HydrophobicContact CG1-CG 3.54Å; V89-F127 HydrophobicContact CG1-CZ 4.08Å; V89-F127 HydrophobicContact CG2-CE2 4.47Å; L93-F127 HydrophobicContact CD1-CB 4.39Å; L93-F127 HydrophobicContact CD1-CD1 4.06Å; L93-F127 HydrophobicContact CD1-CG 4.47Å; L123-F127 WeakPolarHBondContact O-CB 3.4Å; L123-F127 PolarHBondContact O-N 3.36Å; S124-F127 PolarHBondContact O-N 3.45Å; R125-F127 VanDerWaalsContact C-N 3.28Å; R125-F127 PolarHBondContact O-N 2.93Å; F127-E129 VanDerWaalsContact C-N 3.34Å; F127-E129 PolarHBondContact O-N 2.96Å; F127-V130 PolarHBondContact O-N 3.44Å; F127-M131 HydrophobicContact CD2-CG 3.92Å; F127-M131 HydrophobicContact CE1-CG 4.38Å; F127-M131 HydrophobicContact CE2-CG 3.54Å; F127-M131 HydrophobicContact CE2-SD 3.85Å; F127-M131 HydrophobicContact CZ-CG 3.81Å; F127-M131 HydrophobicContact CZ-SD 4.28Å; F127-M131 WeakPolarHBondContact O-CB 3.43Å; F127-M131 VanDerWaalsContact O-CG 3.3Å; F127-M131 WeakPolarHBondContact O-CG 3.39Å; F127-M131 PolarHBondContact O-N 3.42Å; F127-M215 HydrophobicContact CE1-CG 4.41Å; F127-M215 HydrophobicContact CE1-SD 4.23Å; F127-M215 HydrophobicContact CZ-CG 4.38Å; F127-M215 HydrophobicContact CZ-SD 3.63Å; F127-M219 HydrophobicContact CD1-CG 4.17Å; F127-M219 HydrophobicContact CD1-SD 3.66Å; F127-M219 HydrophobicContact CE1-CG 3.97Å; F127-M219 HydrophobicContact CE1-SD 3.78Å
128	V	90.9	Very high	91.4	Very high	35 Å²	35	40.3 Å²	40.3	21%	0.212	21%	0.213	C	C	.	.	H	α-helix	trans	-58.1	-46.9	174.8	174.1	0	0	0	0	111	S124 R125 V130 M131 S132 M219 V223	S124-V128 WeakPolarHBondContact O-CG2 3.4Å; S124-V128 PolarHBondContact O-N 3.46Å; R125-V128 PolarHBondContact O-N 3.47Å; V128-V130 PolarHBondContact O-N 3.47Å; V128-M131 PolarHBondContact O-N 3Å; V128-S132 WeakPolarHBondContact O-CB 3.33Å; V128-S132 PolarHBondContact O-N 3.39Å; V128-S132 PolarHBondContact O-OG 3.26Å; V128-S132 VanDerWaalsContact O-OG 3.12Å; V128-M219 HydrophobicContact CG2-CB 3.87Å; V128-M219 HydrophobicContact CG2-CG 4.31Å; V128-V223 HydrophobicContact CB-CG2 4.49Å; V128-V223 HydrophobicContact CG2-CG2 3.61Å
129	E	91.1	Very high	91.8	Very high	133 Å²	133	41.3 Å²	41.3	62%	0.621	22%	0.222	S	C	*	.	H	α-helix	trans	-54.5	-50.6	178.3	-177.2	-177.4	172.5	0	0	111.7	R125 K126 F127 M131 S132 E133	R125-E129 WeakPolarHBondContact O-CB 3.49Å; R125-E129 PolarHBondContact O-N 3.44Å; K126-E129 PolarHBondContact O-N 3.08Å; F127-E129 VanDerWaalsContact C-N 3.34Å; F127-E129 PolarHBondContact O-N 2.96Å; E129-M131 PolarHBondContact O-N 3.07Å; E129-S132 PolarHBondContact O-N 2.89Å; E129-E133 PolarHBondContact O-N 3.26Å
130	V	95	Very high	92.1	Very high	22 Å²	22	42.6 Å²	42.6	13%	0.133	23%	0.23	C	C	.	.	H	α-helix	trans	-65.7	-38.8	179.4	173.8	0	0	0	0	111.9	I44 I47 A48 V51 K126 F127 V128 E133 Y134	I44-V130 HydrophobicContact CG2-CB 4.5Å; I44-V130 HydrophobicContact CG2-CG2 3.89Å; I47-V130 HydrophobicContact CB-CG1 3.99Å; I47-V130 HydrophobicContact CG2-CG1 3.51Å; A48-V130 HydrophobicContact CB-CG1 4.06Å; A48-V130 HydrophobicContact CB-CG2 4.09Å; V51-V130 HydrophobicContact CG2-CG1 4.48Å; K126-V130 WeakPolarHBondContact O-CG2 3.46Å; K126-V130 PolarHBondContact O-N 2.96Å; K126-V130 VanDerWaalsContact O-N 3.1Å; F127-V130 PolarHBondContact O-N 3.44Å; V128-V130 PolarHBondContact O-N 3.47Å; V130-E133 PolarHBondContact O-N 3.42Å; V130-Y134 PolarHBondContact O-N 3.44Å
131	M	92.7	Very high	92.3	Very high	4 Å²	4	42.2 Å²	42.2	2%	0.02	23%	0.229	C	C	.	.	H	α-helix	trans	-71.3	-33.9	177.9	-67.8	-56.3	-57	0	0	112.3	I47 A86 F127 V128 E129 Y134 N135 L212 M215 F216	I47-M131 HydrophobicContact CG2-SD 4.17Å; A86-M131 HydrophobicContact CB-CE 4.25Å; A86-M131 HydrophobicContact CB-SD 3.89Å; F127-M131 HydrophobicContact CD2-CG 3.92Å; F127-M131 HydrophobicContact CE1-CG 4.38Å; F127-M131 HydrophobicContact CE2-CG 3.54Å; F127-M131 HydrophobicContact CE2-SD 3.85Å; F127-M131 HydrophobicContact CZ-CG 3.81Å; F127-M131 HydrophobicContact CZ-SD 4.28Å; F127-M131 WeakPolarHBondContact O-CB 3.43Å; F127-M131 VanDerWaalsContact O-CG 3.3Å; F127-M131 WeakPolarHBondContact O-CG 3.39Å; F127-M131 PolarHBondContact O-N 3.42Å; V128-M131 PolarHBondContact O-N 3Å; E129-M131 PolarHBondContact O-N 3.07Å; M131-Y134 HydrophobicContact CE-CD1 4.38Å; M131-Y134 WeakPolarHBondContact O-CB 3.24Å; M131-Y134 PolarHBondContact O-N 3.22Å; M131-N135 PolarHBondContact O-N 2.69Å; M131-L212 HydrophobicContact CE-CD1 3.91Å; M131-L212 HydrophobicContact CE-CD2 4.17Å; M131-M215 HydrophobicContact CE-SD 3.92Å; M131-M215 HydrophobicContact SD-SD 4.48Å; M131-F216 HydrophobicContact CB-CE1 3.73Å; M131-F216 HydrophobicContact CB-CZ 4.26Å; M131-F216 HydrophobicContact CE-CZ 4.29Å; M131-F216 WeakPolarHBondContact O-CE1 3.27Å; M131-F216 WeakPolarHBondContact O-CZ 3.22Å
132	S	91.3	Very high	92.6	Very high	62 Å²	62	44.1 Å²	44.1	43%	0.434	24%	0.235	S	C	.	.	H	α-helix	trans	-64.8	-40.8	171.5	-68.8	0	0	0	0	111.4	V128 E129 Y134 N135 A136	V128-S132 WeakPolarHBondContact O-CB 3.33Å; V128-S132 PolarHBondContact O-N 3.39Å; V128-S132 PolarHBondContact O-OG 3.26Å; V128-S132 VanDerWaalsContact O-OG 3.12Å; E129-S132 PolarHBondContact O-N 2.89Å; S132-Y134 VanDerWaalsContact C-N 3.34Å; S132-N135 PolarHBondContact O-N 3.12Å; S132-A136 WeakPolarHBondContact O-CB 3.48Å; S132-A136 PolarHBondContact O-N 3.15Å
133	E	93.6	Very high	92.9	Very high	87 Å²	87	46 Å²	46	41%	0.407	24%	0.24	S	C	.	.	H	α-helix	trans	-63.2	-39.9	173.9	-175.4	60.5	-153.8	0	0	111.9	V51 K55 E129 V130 A136 T137	V51-E133 HydrophobicContact CG1-CG 4.24Å; K55-E133 WeakPolarHBondContact CE-OE1 3.33Å; K55-E133 IonicContact NZ-OE1 2.69Å; K55-E133 PolarHBondContact NZ-OE1 3.29Å; E129-E133 PolarHBondContact O-N 3.26Å; V130-E133 PolarHBondContact O-N 3.42Å; E133-A136 PolarHBondContact O-N 2.76Å; E133-T137 WeakPolarHBondContact O-CB 3.45Å; E133-T137 PolarHBondContact O-N 3.34Å; E133-T137 PolarHBondContact O-OG1 2.76Å
134	Y	94.4	Very high	93	Very high	1 Å²	1	49.5 Å²	49.5	0%	0.004	25%	0.252	C	S	.	.	H	α-helix	trans	-60.1	-48.3	171.9	179.3	-108.9	0	0	0	111.4	V51 I82 V130 M131 S132 A136 T137 Q138 S208 L212	V51-Y134 HydrophobicContact CG2-CD2 3.89Å; V51-Y134 HydrophobicContact CG2-CG 4.27Å; I82-Y134 HydrophobicContact CD1-CD2 3.79Å; I82-Y134 HydrophobicContact CD1-CE2 3.52Å; I82-Y134 HydrophobicContact CG2-CD2 4.38Å; I82-Y134 HydrophobicContact CG2-CE1 4.46Å; I82-Y134 HydrophobicContact CG2-CE2 4.25Å; I82-Y134 HydrophobicContact CG2-CG 4.47Å; V130-Y134 PolarHBondContact O-N 3.44Å; M131-Y134 HydrophobicContact CE-CD1 4.38Å; M131-Y134 WeakPolarHBondContact O-CB 3.24Å; M131-Y134 PolarHBondContact O-N 3.22Å; S132-Y134 VanDerWaalsContact C-N 3.34Å; Y134-A136 VanDerWaalsContact C-N 3.34Å; Y134-A136 PolarHBondContact O-N 3.49Å; Y134-T137 WeakPolarHBondContact O-CB 3.32Å; Y134-T137 PolarHBondContact O-N 3.32Å; Y134-Q138 HydrophobicContact CD1-CG 4.34Å; Y134-Q138 HydrophobicContact CD2-CG 4.46Å; Y134-Q138 HydrophobicContact CE1-CG 3.94Å; Y134-Q138 HydrophobicContact CE2-CG 4.14Å; Y134-Q138 VanDerWaalsContact CZ-NE2 3.29Å; Y134-Q138 WeakPolarHBondContact O-CG 3.25Å; Y134-Q138 PolarHBondContact O-N 3.05Å; Y134-Q138 PolarHBondContact OH-NE2 3.37Å; Y134-S208 PolarHBondContact OH-OG 2.78Å; Y134-L212 HydrophobicContact CD1-CD1 3.82Å; Y134-L212 HydrophobicContact CE1-CD1 3.37Å
135	N	92.1	Very high	93.1	Very high	61 Å²	61	49.4 Å²	49.4	33%	0.326	25%	0.252	S	S	.	.	H	α-helix	trans	-61.6	-42	178.4	-174.8	65.7	0	0	0	112.3	M131 S132 T137 Q138 S139 F216	M131-N135 PolarHBondContact O-N 2.69Å; S132-N135 PolarHBondContact O-N 3.12Å; N135-T137 VanDerWaalsContact C-N 3.32Å; N135-T137 PolarHBondContact O-N 2.98Å; N135-Q138 PolarHBondContact O-N 3.42Å; N135-S139 WeakPolarHBondContact O-CB 3.4Å; N135-S139 PolarHBondContact O-N 2.88Å; N135-F216 HydrophobicContact CB-CE1 4.4Å; N135-F216 HydrophobicContact CB-CE2 4.34Å; N135-F216 HydrophobicContact CB-CZ 3.78Å
136	A	93.6	Very high	93.4	Very high	50 Å²	50	44.7 Å²	44.7	41%	0.413	23%	0.234	S	C	.	.	H	α-helix	trans	-61.3	-42.3	175.3	0	0	0	0	0	111.5	S132 E133 Y134 Q138 S139 D140	S132-A136 WeakPolarHBondContact O-CB 3.48Å; S132-A136 PolarHBondContact O-N 3.15Å; E133-A136 PolarHBondContact O-N 2.76Å; Y134-A136 VanDerWaalsContact C-N 3.34Å; Y134-A136 PolarHBondContact O-N 3.49Å; A136-Q138 PolarHBondContact O-N 2.56Å; A136-S139 PolarHBondContact O-N 3.15Å; A136-D140 WeakPolarHBondContact O-CB 3.46Å; A136-D140 PolarHBondContact O-N 2.96Å
137	T	94.2	Very high	93.5	Very high	8 Å²	8	42.3 Å²	42.3	5%	0.049	23%	0.233	C	C	.	.	H	α-helix	trans	-59.5	-44.8	175.3	-63.1	0	0	0	0	112	V54 K55 E133 Y134 N135 Y141	V54-T137 HydrophobicContact CG1-CG2 4.18Å; K55-T137 HydrophobicContact CD-CG2 4.5Å; K55-T137 WeakPolarHBondContact CE-OG1 3.23Å; K55-T137 HydrophobicContact CG-CG2 3.46Å; K55-T137 VanDerWaalsContact CG-CG2 3.46Å; E133-T137 WeakPolarHBondContact O-CB 3.45Å; E133-T137 PolarHBondContact O-N 3.34Å; E133-T137 PolarHBondContact O-OG1 2.76Å; Y134-T137 WeakPolarHBondContact O-CB 3.32Å; Y134-T137 PolarHBondContact O-N 3.32Å; N135-T137 VanDerWaalsContact C-N 3.32Å; N135-T137 PolarHBondContact O-N 2.98Å; T137-Y141 PolarHBondContact O-N 3.25Å
138	Q	93.1	Very high	93.5	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-66.3	-45.6	176.9	-63.4	-60.5	-28.7	0	0	111	Y134 N135 A136 D140 Y141 R142 L205 I209	Y134-Q138 HydrophobicContact CD1-CG 4.34Å; Y134-Q138 HydrophobicContact CD2-CG 4.46Å; Y134-Q138 HydrophobicContact CE1-CG 3.94Å; Y134-Q138 HydrophobicContact CE2-CG 4.14Å; Y134-Q138 VanDerWaalsContact CZ-NE2 3.29Å; Y134-Q138 WeakPolarHBondContact O-CG 3.25Å; Y134-Q138 PolarHBondContact O-N 3.05Å; Y134-Q138 PolarHBondContact OH-NE2 3.37Å; N135-Q138 PolarHBondContact O-N 3.42Å; A136-Q138 PolarHBondContact O-N 2.56Å; Q138-D140 VanDerWaalsContact C-N 3.33Å; Q138-D140 PolarHBondContact O-N 3.12Å; Q138-Y141 PolarHBondContact O-N 2.75Å; Q138-Y141 VanDerWaalsContact O-N 3.16Å; Q138-R142 PolarHBondContact O-N 2.9Å; Q138-L205 HydrophobicContact CB-CD1 3.9Å; Q138-L205 HydrophobicContact CB-CD2 4.26Å; Q138-L205 HydrophobicContact CB-CG 3.98Å; Q138-L205 WeakPolarHBondContact O-CD1 3.37Å; Q138-I209 HydrophobicContact CB-CD1 3.77Å; Q138-I209 HydrophobicContact CB-CG1 4.04Å; Q138-I209 HydrophobicContact CG-CG1 4.34Å
139	S	93.8	Very high	93.5	Very high	69 Å²	69	45.8 Å²	45.8	48%	0.483	24%	0.242	S	C	.	.	H	α-helix	trans	-59.6	-41.9	178.6	-171.9	0	0	0	0	112.4	N135 A136 R142 E143	N135-S139 WeakPolarHBondContact O-CB 3.4Å; N135-S139 PolarHBondContact O-N 2.88Å; A136-S139 PolarHBondContact O-N 3.15Å; S139-R142 PolarHBondContact O-N 3.35Å; S139-E143 PolarHBondContact O-N 3.31Å; S139-E143 VanDerWaalsContact O-N 3.13Å
140	D	95.1	Very high	93.6	Very high	84 Å²	84	42.2 Å²	42.2	45%	0.449	23%	0.226	S	C	.	.	H	α-helix	trans	-63.6	-43	174.4	173	79	0	0	0	112.3	A136 Q138 R142 E143 R144	A136-D140 WeakPolarHBondContact O-CB 3.46Å; A136-D140 PolarHBondContact O-N 2.96Å; Q138-D140 VanDerWaalsContact C-N 3.33Å; Q138-D140 PolarHBondContact O-N 3.12Å; D140-R142 PolarHBondContact O-N 2.94Å; D140-E143 PolarHBondContact O-N 2.97Å; D140-R144 WeakPolarHBondContact O-CG 3.44Å; D140-R144 PolarHBondContact O-N 3.42Å; D140-R144 IonicContact OD2-CZ 2.69Å; D140-R144 IonicContact OD2-NE 2.76Å; D140-R144 PolarHBondContact OD2-NE 2.92Å; D140-R144 IonicContact OD2-NH2 2.78Å; D140-R144 PolarHBondContact OD2-NH2 3.45Å
141	Y	94.8	Very high	93.4	Very high	2 Å²	2	47.9 Å²	47.9	1%	0.008	25%	0.245	C	C	.	.	H	α-helix	trans	-64.3	-40.2	177	-176.1	-111.4	0	0	0	112.4	H58 I61 L62 T137 Q138 E143 R144 C145 E201 L205	H58-Y141 HydrophobicContact CB-CD2 3.37Å; H58-Y141 HydrophobicContact CB-CE2 3.56Å; H58-Y141 HydrophobicContact CB-CG 4.05Å; H58-Y141 AromaticContact CD2-CG 3.8Å; H58-Y141 AromaticContact CE1-CD1 3.43Å; H58-Y141 VanDerWaalsContact CE1-CD1 3.43Å; H58-Y141 WeakPolarHBondContact CE1-CD1 3.39Å; H58-Y141 AromaticContact CE1-CE1 3.63Å; H58-Y141 AromaticContact CE1-CG 3.71Å; H58-Y141 AromaticContact CG-CD2 3.38Å; H58-Y141 AromaticContact CG-CE2 3.66Å; H58-Y141 AromaticContact CG-CG 3.54Å; H58-Y141 AromaticContact ND1-CD1 3.46Å; H58-Y141 WeakPolarHBondContact ND1-CD1 3.37Å; H58-Y141 AromaticContact ND1-CD2 3.5Å; H58-Y141 AromaticContact ND1-CE1 3.41Å; H58-Y141 WeakPolarHBondContact ND1-CE1 3.44Å; H58-Y141 AromaticContact ND1-CE2 3.43Å; H58-Y141 WeakPolarHBondContact ND1-CE2 3.12Å; H58-Y141 AromaticContact ND1-CG 3.48Å; H58-Y141 AromaticContact ND1-CZ 3.39Å; H58-Y141 AromaticContact NE2-CD1 3.97Å; H58-Y141 AromaticContact NE2-CG 3.92Å; H58-Y141 WeakPolarHBondContact O-CE2 3.29Å; I61-Y141 WeakPolarHBondContact CG2-OH 3.47Å; L62-Y141 HydrophobicContact CD1-CD2 3.45Å; L62-Y141 VanDerWaalsContact CD1-CD2 3.45Å; L62-Y141 HydrophobicContact CD1-CE2 3.41Å; L62-Y141 VanDerWaalsContact CD1-CE2 3.41Å; L62-Y141 HydrophobicContact CD2-CE2 4.41Å; L62-Y141 HydrophobicContact CG-CD2 4.18Å; L62-Y141 HydrophobicContact CG-CE2 3.6Å; T137-Y141 PolarHBondContact O-N 3.25Å; Q138-Y141 PolarHBondContact O-N 2.75Å; Q138-Y141 VanDerWaalsContact O-N 3.16Å; Y141-E143 VanDerWaalsContact C-N 3.35Å; Y141-E143 PolarHBondContact O-N 2.96Å; Y141-R144 PolarHBondContact O-N 2.82Å; Y141-C145 WeakPolarHBondContact O-CB 3.31Å; Y141-C145 PolarHBondContact O-N 2.91Å; Y141-C145 PolarHBondContact O-SG 2.94Å; Y141-E201 HydrophobicContact CE1-CB 4.25Å; Y141-L205 HydrophobicContact CD1-CD1 3.6Å; Y141-L205 HydrophobicContact CG-CD1 4.35Å
142	R	94.9	Very high	93.3	Very high	45 Å²	45	49 Å²	49	17%	0.17	25%	0.249	C	C	.	.	H	α-helix	trans	-57.3	-48.1	174.3	-171.9	-174.9	-175.2	-88.9	2.8	111	Q138 S139 D140 R144 C145 K146 E166 I202 L205 E206	Q138-R142 PolarHBondContact O-N 2.9Å; S139-R142 PolarHBondContact O-N 3.35Å; D140-R142 PolarHBondContact O-N 2.94Å; R142-R144 PolarHBondContact O-N 3.49Å; R142-C145 WeakPolarHBondContact O-CB 3.49Å; R142-C145 PolarHBondContact O-N 3.39Å; R142-K146 WeakPolarHBondContact O-CB 3.14Å; R142-K146 PolarHBondContact O-N 3.32Å; R142-E166 IonicContact CZ-OE1 2.81Å; R142-E166 IonicContact NH1-OE1 3.16Å; R142-E166 PolarHBondContact NH1-OE1 2.87Å; R142-E166 IonicContact NH1-OE2 2.77Å; R142-E166 IonicContact NH2-OE1 2.67Å; R142-E166 PolarHBondContact NH2-OE1 3.48Å; R142-I202 HydrophobicContact CG-CG1 4.41Å; R142-I202 HydrophobicContact CG-CG2 4.27Å; R142-L205 HydrophobicContact CB-CD1 4.31Å; R142-L205 HydrophobicContact CB-CD2 3.9Å; R142-L205 HydrophobicContact CG-CD2 4.3Å; R142-E206 IonicContact CZ-OE1 2.72Å; R142-E206 VanDerWaalsContact CZ-OE1 3.27Å; R142-E206 IonicContact NE-OE1 2.68Å; R142-E206 PolarHBondContact NE-OE1 3.3Å; R142-E206 IonicContact NH2-OE1 3.86Å; R142-E206 PolarHBondContact NH2-OE1 3.18Å
143	E	94.6	Very high	93.2	Very high	105 Å²	105	46 Å²	46	49%	0.491	23%	0.229	S	C	.	.	H	α-helix	trans	-64.1	-40.4	179.7	-170.6	56.6	-147.8	0	0	111.7	S139 D140 Y141 C145 K146 G147	S139-E143 PolarHBondContact O-N 3.31Å; S139-E143 VanDerWaalsContact O-N 3.13Å; D140-E143 PolarHBondContact O-N 2.97Å; Y141-E143 VanDerWaalsContact C-N 3.35Å; Y141-E143 PolarHBondContact O-N 2.96Å; E143-C145 PolarHBondContact O-N 3.36Å; E143-K146 WeakPolarHBondContact O-CB 3.3Å; E143-K146 PolarHBondContact O-N 3.03Å; E143-G147 PolarHBondContact O-N 3.31Å
144	R	94.7	Very high	93	Very high	78 Å²	78	45.6 Å²	45.6	29%	0.294	23%	0.227	S	C	.	.	H	α-helix	trans	-63.4	-41.2	173.8	-73.4	-173.1	-74.6	147.9	-4.8	112.4	L62 D140 Y141 R142 G147 R148	L62-R144 HydrophobicContact CD1-CB 3.67Å; L62-R144 HydrophobicContact CD1-CG 4.47Å; D140-R144 WeakPolarHBondContact O-CG 3.44Å; D140-R144 PolarHBondContact O-N 3.42Å; D140-R144 IonicContact OD2-CZ 2.69Å; D140-R144 IonicContact OD2-NE 2.76Å; D140-R144 PolarHBondContact OD2-NE 2.92Å; D140-R144 IonicContact OD2-NH2 2.78Å; D140-R144 PolarHBondContact OD2-NH2 3.45Å; Y141-R144 PolarHBondContact O-N 2.82Å; R142-R144 PolarHBondContact O-N 3.49Å; R144-G147 PolarHBondContact O-N 2.82Å; R144-R148 WeakPolarHBondContact O-CG 3.4Å; R144-R148 PolarHBondContact O-N 3.4Å
145	C	93.6	Very high	92.7	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-63	-44	174.2	-78.1	0	0	0	0	111.6	Y141 R142 E143 G147 R148 I149 R198 I202	Y141-C145 WeakPolarHBondContact O-CB 3.31Å; Y141-C145 PolarHBondContact O-N 2.91Å; Y141-C145 PolarHBondContact O-SG 2.94Å; R142-C145 WeakPolarHBondContact O-CB 3.49Å; R142-C145 PolarHBondContact O-N 3.39Å; E143-C145 PolarHBondContact O-N 3.36Å; C145-G147 PolarHBondContact O-N 3.1Å; C145-R148 WeakPolarHBondContact O-CB 3.3Å; C145-R148 PolarHBondContact O-N 3.27Å; C145-I149 WeakPolarHBondContact O-CG1 3.43Å; C145-I149 PolarHBondContact O-N 3.49Å; C145-R198 HydrophobicContact CB-CB 4.49Å; C145-I202 HydrophobicContact CB-CD1 3.84Å; C145-I202 HydrophobicContact CB-CG1 3.68Å
146	K	93.6	Very high	92.4	Very high	10 Å²	10	47.7 Å²	47.7	4%	0.043	24%	0.238	C	C	.	.	H	α-helix	trans	-57.4	-48.8	174.3	-178.3	-179.7	177.6	175.3	0	111.4	R142 E143 R148 I149 Q150 S162 L165 E166 L169	R142-K146 WeakPolarHBondContact O-CB 3.14Å; R142-K146 PolarHBondContact O-N 3.32Å; E143-K146 WeakPolarHBondContact O-CB 3.3Å; E143-K146 PolarHBondContact O-N 3.03Å; K146-R148 VanDerWaalsContact C-N 3.3Å; K146-R148 PolarHBondContact O-N 3Å; K146-I149 PolarHBondContact O-N 2.91Å; K146-I149 VanDerWaalsContact O-N 3.14Å; K146-Q150 PolarHBondContact O-N 3.34Å; K146-S162 WeakPolarHBondContact CE-O 3.16Å; K146-S162 PolarHBondContact NZ-O 3.17Å; K146-S162 PolarHBondContact NZ-OG 3.45Å; K146-L165 HydrophobicContact CD-CD2 4.47Å; K146-L165 HydrophobicContact CG-CD2 3.56Å; K146-L165 HydrophobicContact CG-CG 4.15Å; K146-E166 WeakPolarHBondContact CE-OE2 3.36Å; K146-E166 IonicContact NZ-OE2 3.99Å; K146-E166 PolarHBondContact NZ-OE2 3.12Å; K146-L169 HydrophobicContact CD-CD1 4.48Å; K146-L169 HydrophobicContact CG-CD1 4.26Å
147	G	93.5	Very high	91.9	Very high	32 Å²	32	48.5 Å²	48.5	33%	0.33	25%	0.252	S	S	.	.	H	α-helix	trans	-61	-35.2	176.3	0	0	0	0	0	113.6	E143 R144 C145 R151	E143-G147 PolarHBondContact O-N 3.31Å; R144-G147 PolarHBondContact O-N 2.82Å; C145-G147 PolarHBondContact O-N 3.1Å; G147-R151 WeakPolarHBondContact O-CB 3.36Å; G147-R151 PolarHBondContact O-N 3.49Å
148	R	92.2	Very high	91.3	Very high	108 Å²	108	52 Å²	52	41%	0.408	26%	0.264	S	S	.	.	H	α-helix	trans	-64.9	-45.7	172.3	-71.7	-66.1	-166.3	-173.7	5.1	111.9	L62 R144 C145 K146 Q150 R151 Q152 R198	L62-R148 HydrophobicContact CD2-CG 3.79Å; L62-R148 PolarHBondContact O-NH2 3.01Å; R144-R148 WeakPolarHBondContact O-CG 3.4Å; R144-R148 PolarHBondContact O-N 3.4Å; C145-R148 WeakPolarHBondContact O-CB 3.3Å; C145-R148 PolarHBondContact O-N 3.27Å; K146-R148 VanDerWaalsContact C-N 3.3Å; K146-R148 PolarHBondContact O-N 3Å; R148-Q150 VanDerWaalsContact C-N 3.33Å; R148-Q150 PolarHBondContact O-N 2.88Å; R148-R151 PolarHBondContact O-N 2.93Å; R148-Q152 WeakPolarHBondContact O-CG 3.35Å; R148-Q152 PolarHBondContact O-N 3.15Å; R148-R198 HydrophobicContact CB-CG 4.28Å
149	I	91.9	Very high	90.9	Very high	0 Å²	0	58 Å²	58	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-60.4	-45.8	177.3	-66.2	167.8	0	0	0	110.3	C145 K146 R151 Q152 L153 L165 L169 F177 I195 R198 H199 I202	C145-I149 WeakPolarHBondContact O-CG1 3.43Å; C145-I149 PolarHBondContact O-N 3.49Å; K146-I149 PolarHBondContact O-N 2.91Å; K146-I149 VanDerWaalsContact O-N 3.14Å; I149-R151 VanDerWaalsContact C-N 3.29Å; I149-R151 PolarHBondContact O-N 2.87Å; I149-Q152 PolarHBondContact O-N 3.34Å; I149-Q152 VanDerWaalsContact O-N 3.16Å; I149-L153 HydrophobicContact CG2-CD1 4.06Å; I149-L153 HydrophobicContact CG2-CG 4.46Å; I149-L153 WeakPolarHBondContact O-CG 3.44Å; I149-L153 PolarHBondContact O-N 3.5Å; I149-L165 HydrophobicContact CG2-CD1 3.72Å; I149-L169 HydrophobicContact CD1-CD2 4.09Å; I149-F177 HydrophobicContact CG2-CD1 4.12Å; I149-F177 HydrophobicContact CG2-CE1 3.78Å; I149-I195 HydrophobicContact CG1-CG2 4.4Å; I149-I195 HydrophobicContact CG2-CG1 4.24Å; I149-I195 HydrophobicContact CG2-CG2 3.91Å; I149-R198 HydrophobicContact CD1-CB 3.89Å; I149-R198 HydrophobicContact CG1-CB 3.67Å; I149-R198 HydrophobicContact CG1-CG 4.44Å; I149-H199 HydrophobicContact CD1-CB 4.47Å; I149-I202 HydrophobicContact CD1-CD1 3.78Å
150	Q	92.7	Very high	90.6	Very high	59 Å²	59	54.9 Å²	54.9	28%	0.276	28%	0.279	S	S	.	.	H	α-helix	trans	-55.8	-46.8	176.4	-167.6	175.4	4.3	0	0	111.3	K146 R148 Q152 L153 E154 T160 L165	K146-Q150 PolarHBondContact O-N 3.34Å; R148-Q150 VanDerWaalsContact C-N 3.33Å; R148-Q150 PolarHBondContact O-N 2.88Å; Q150-Q152 VanDerWaalsContact C-N 3.34Å; Q150-Q152 PolarHBondContact O-N 3.36Å; Q150-L153 PolarHBondContact O-N 3.35Å; Q150-E154 WeakPolarHBondContact O-CG 3.49Å; Q150-E154 PolarHBondContact O-N 2.82Å; Q150-E154 VanDerWaalsContact O-N 3.08Å; Q150-T160 PolarHBondContact NE2-O 3.44Å; Q150-L165 HydrophobicContact CB-CD2 3.72Å; Q150-L165 HydrophobicContact CG-CD2 4.32Å
151	R	91.6	Very high	90.4	Very high	141 Å²	141	54.3 Å²	54.3	53%	0.532	28%	0.278	S	S	.	.	H	α-helix	trans	-63.9	-37.9	179	-173.7	58.1	-179.4	154.5	3.9	112.8	G147 R148 I149 E154 I155	G147-R151 WeakPolarHBondContact O-CB 3.36Å; G147-R151 PolarHBondContact O-N 3.49Å; R148-R151 PolarHBondContact O-N 2.93Å; I149-R151 VanDerWaalsContact C-N 3.29Å; I149-R151 PolarHBondContact O-N 2.87Å; R151-E154 WeakPolarHBondContact CD-OE2 3.41Å; R151-E154 IonicContact CZ-OE2 2.66Å; R151-E154 IonicContact NH1-OE2 3.16Å; R151-E154 PolarHBondContact NH1-OE2 2.93Å; R151-E154 PolarHBondContact O-N 3.1Å; R151-I155 WeakPolarHBondContact O-CG1 3.24Å; R151-I155 PolarHBondContact O-N 2.69Å
152	Q	89.8	Confident	90.1	Very high	26 Å²	26	57.2 Å²	57.2	12%	0.121	30%	0.299	C	S	.	.	H	α-helix	trans	-68.9	-36.3	176.2	-67.4	-58.9	-24.6	0	0	112.1	R148 I149 Q150 E154 I155 T156 A191 E194 I195	R148-Q152 WeakPolarHBondContact O-CG 3.35Å; R148-Q152 PolarHBondContact O-N 3.15Å; I149-Q152 PolarHBondContact O-N 3.34Å; I149-Q152 VanDerWaalsContact O-N 3.16Å; Q150-Q152 VanDerWaalsContact C-N 3.34Å; Q150-Q152 PolarHBondContact O-N 3.36Å; Q152-E154 VanDerWaalsContact C-N 3.35Å; Q152-E154 PolarHBondContact O-N 3.34Å; Q152-I155 WeakPolarHBondContact O-CB 3.34Å; Q152-I155 PolarHBondContact O-N 3.32Å; Q152-T156 PolarHBondContact O-N 3.42Å; Q152-A191 HydrophobicContact CB-CB 4.34Å; Q152-E194 HydrophobicContact CG-CB 4.35Å; Q152-E194 HydrophobicContact CG-CG 4.28Å; Q152-E194 PolarHBondContact NE2-OE1 3.08Å; Q152-E194 PolarHBondContact NE2-OE2 2.89Å; Q152-I195 HydrophobicContact CB-CD1 3.73Å; Q152-I195 HydrophobicContact CB-CG1 3.52Å; Q152-I195 HydrophobicContact CG-CG1 4.27Å
153	L	89.4	Confident	89.9	Confident	1 Å²	1	62.2 Å²	62.2	1%	0.005	33%	0.325	C	S	.	.	H	α-helix	trans	-62.2	-42.2	173.3	-71.7	169.2	0	0	0	111.6	I149 Q150 I155 T156 G157 R158 L165 F177 I181 I195	I149-L153 HydrophobicContact CG2-CD1 4.06Å; I149-L153 HydrophobicContact CG2-CG 4.46Å; I149-L153 WeakPolarHBondContact O-CG 3.44Å; I149-L153 PolarHBondContact O-N 3.5Å; Q150-L153 PolarHBondContact O-N 3.35Å; L153-I155 VanDerWaalsContact C-N 3.32Å; L153-I155 PolarHBondContact O-N 3.38Å; L153-T156 CarbonylContact O-C 3.16Å; L153-T156 PolarHBondContact O-N 2.96Å; L153-T156 VanDerWaalsContact O-N 3.09Å; L153-T156 PolarHBondContact O-OG1 2.93Å; L153-G157 PolarHBondContact O-N 3.46Å; L153-R158 CarbonylContact C-O 3.5Å; L153-R158 PolarHBondContact O-N 3.34Å; L153-R158 VanDerWaalsContact O-O 3.11Å; L153-L165 HydrophobicContact CD1-CD1 3.9Å; L153-F177 HydrophobicContact CD1-CD1 4.49Å; L153-I181 HydrophobicContact CD2-CD1 4.21Å; L153-I195 HydrophobicContact CD2-CD1 3.96Å; L153-I195 HydrophobicContact CG-CD1 4.07Å
154	E	89.8	Confident	89.6	Confident	77 Å²	77	61.7 Å²	61.7	36%	0.36	32%	0.322	S	S	.	.	H	α-helix	trans	-60.5	-39.7	174.8	-69.7	174.4	177.6	0	0	112.5	Q150 R151 Q152 T156 G157 R158	Q150-E154 WeakPolarHBondContact O-CG 3.49Å; Q150-E154 PolarHBondContact O-N 2.82Å; Q150-E154 VanDerWaalsContact O-N 3.08Å; R151-E154 WeakPolarHBondContact CD-OE2 3.41Å; R151-E154 IonicContact CZ-OE2 2.66Å; R151-E154 IonicContact NH1-OE2 3.16Å; R151-E154 PolarHBondContact NH1-OE2 2.93Å; R151-E154 PolarHBondContact O-N 3.1Å; Q152-E154 VanDerWaalsContact C-N 3.35Å; Q152-E154 PolarHBondContact O-N 3.34Å; E154-T156 PolarHBondContact O-N 3.1Å; E154-G157 PolarHBondContact O-N 3.27Å; E154-R158 PolarHBondContact N-O 2.89Å
155	I	87.3	Confident	89.4	Confident	80 Å²	80	58 Å²	58	41%	0.41	31%	0.308	S	S	.	.	H	α-helix	trans	-61.5	-35.4	176.2	-69.6	166.7	0	0	0	110.9	R151 Q152 L153 G157 I187	R151-I155 WeakPolarHBondContact O-CG1 3.24Å; R151-I155 PolarHBondContact O-N 2.69Å; Q152-I155 WeakPolarHBondContact O-CB 3.34Å; Q152-I155 PolarHBondContact O-N 3.32Å; L153-I155 VanDerWaalsContact C-N 3.32Å; L153-I155 PolarHBondContact O-N 3.38Å; I155-G157 PolarHBondContact O-N 3Å; I155-I187 HydrophobicContact CG2-CG2 3.78Å
156	T	85.6	Confident	89.3	Confident	26 Å²	26	59.8 Å²	59.8	16%	0.16	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	0.7	175.3	65.6	0	0	0	0	114.4	Q152 L153 E154 I181 A191	Q152-T156 PolarHBondContact O-N 3.42Å; L153-T156 CarbonylContact O-C 3.16Å; L153-T156 PolarHBondContact O-N 2.96Å; L153-T156 VanDerWaalsContact O-N 3.09Å; L153-T156 PolarHBondContact O-OG1 2.93Å; E154-T156 PolarHBondContact O-N 3.1Å; T156-I181 HydrophobicContact CG2-CD1 4.02Å; T156-I181 HydrophobicContact CG2-CG1 4.32Å; T156-I181 HydrophobicContact CG2-CG2 3.85Å; T156-A191 HydrophobicContact CG2-CB 3.63Å
157	G	82.9	Confident	89.1	Confident	68 Å²	68	63.8 Å²	63.8	70%	0.701	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.5	10.6	177.8	0	0	0	0	0	114.5	L153 E154 I155	L153-G157 PolarHBondContact O-N 3.46Å; E154-G157 PolarHBondContact O-N 3.27Å; I155-G157 PolarHBondContact O-N 3Å
158	R	82.8	Confident	88.8	Confident	81 Å²	81	62.6 Å²	62.6	31%	0.306	32%	0.324	S	S	.	.			trans	-102.3	114.7	176	-176.8	172.9	173.6	175.3	-2.6	109.6	L153 E154 S179	L153-R158 CarbonylContact C-O 3.5Å; L153-R158 PolarHBondContact O-N 3.34Å; L153-R158 VanDerWaalsContact O-O 3.11Å; E154-R158 PolarHBondContact N-O 2.89Å; R158-S179 PolarHBondContact NH1-O 3.19Å
159	T	85	Confident	88.7	Confident	125 Å²	125	58 Å²	58	77%	0.767	31%	0.308	S	S	*	.			trans	-83.9	125.7	169.9	-52.6	0	0	0	0	108.2
160	T	86.8	Confident	88.4	Confident	4 Å²	4	64.8 Å²	64.8	3%	0.025	34%	0.34	C	S	.	.			trans	-128.2	131.4	-179.5	-49.7	0	0	0	0	108.5	Q150 E164 L165 M168	Q150-T160 PolarHBondContact NE2-O 3.44Å; T160-E164 HydrophobicContact CG2-CB 3.67Å; T160-L165 HydrophobicContact CG2-CB 3.96Å; T160-M168 HydrophobicContact CG2-SD 4.19Å
161	T	90.8	Very high	88	Confident	72 Å²	72	64.9 Å²	64.9	44%	0.442	35%	0.346	S	S	.	.			trans	-73.7	163.1	173.5	62.3	0	0	0	0	111.1	E163 E164 L165	T161-E163 PolarHBondContact O-N 3.47Å; T161-E164 PolarHBondContact N-OE2 2.92Å; T161-E164 PolarHBondContact O-N 3.35Å; T161-E164 WeakPolarHBondContact OG1-CB 3.45Å; T161-E164 VanDerWaalsContact OG1-CD 3.24Å; T161-E164 WeakPolarHBondContact OG1-CG 3.29Å; T161-E164 PolarHBondContact OG1-N 3.36Å; T161-E164 PolarHBondContact OG1-OE2 3.42Å; T161-L165 WeakPolarHBondContact O-CB 3.4Å; T161-L165 PolarHBondContact O-N 2.91Å
162	S	89.3	Confident	87.1	Confident	63 Å²	63	60.8 Å²	60.8	44%	0.441	35%	0.348	S	S	.	.	H	α-helix	trans	-61.6	-32.6	178.3	178.2	0	0	0	0	112.9	K146 E166	K146-S162 WeakPolarHBondContact CE-O 3.16Å; K146-S162 PolarHBondContact NZ-O 3.17Å; K146-S162 PolarHBondContact NZ-OG 3.45Å; S162-E166 PolarHBondContact O-N 3.17Å
163	E	90.1	Very high	86.5	Confident	151 Å²	151	63.5 Å²	63.5	71%	0.706	36%	0.363	S	S	*	.	H	α-helix	trans	-74.2	-50	179.3	-171.3	170.7	-163.8	0	0	110.8	T161 L165 E166 D167	T161-E163 PolarHBondContact O-N 3.47Å; E163-L165 PolarHBondContact O-N 3.01Å; E163-E166 WeakPolarHBondContact O-CA 3.26Å; E163-E166 WeakPolarHBondContact O-CB 3.15Å; E163-E166 PolarHBondContact O-N 3.49Å; E163-D167 PolarHBondContact O-N 3.37Å
164	E	88.8	Confident	85.6	Confident	94 Å²	94	67 Å²	67	44%	0.439	39%	0.386	S	S	.	.	H	α-helix	trans	-58.7	-35.7	174.8	-70.7	166.5	147.2	0	0	112.4	T160 T161 E166 M168	T160-E164 HydrophobicContact CG2-CB 3.67Å; T161-E164 PolarHBondContact N-OE2 2.92Å; T161-E164 PolarHBondContact O-N 3.35Å; T161-E164 WeakPolarHBondContact OG1-CB 3.45Å; T161-E164 VanDerWaalsContact OG1-CD 3.24Å; T161-E164 WeakPolarHBondContact OG1-CG 3.29Å; T161-E164 PolarHBondContact OG1-N 3.36Å; T161-E164 PolarHBondContact OG1-OE2 3.42Å; E164-E166 VanDerWaalsContact C-N 3.35Å; E164-M168 VanDerWaalsContact O-CG 3.23Å; E164-M168 WeakPolarHBondContact O-CG 3.36Å; E164-M168 PolarHBondContact O-N 2.88Å; E164-M168 VanDerWaalsContact O-N 3.09Å
165	L	90.4	Very high	84.9	Confident	0 Å²	0	66 Å²	66	0%	0	39%	0.391	C	S	.	.	H	α-helix	trans	-69.3	-35.3	176.6	-177.5	59.1	0	0	0	111.8	K146 I149 Q150 L153 T160 T161 E163 M168 L169 F177	K146-L165 HydrophobicContact CD-CD2 4.47Å; K146-L165 HydrophobicContact CG-CD2 3.56Å; K146-L165 HydrophobicContact CG-CG 4.15Å; I149-L165 HydrophobicContact CG2-CD1 3.72Å; Q150-L165 HydrophobicContact CB-CD2 3.72Å; Q150-L165 HydrophobicContact CG-CD2 4.32Å; L153-L165 HydrophobicContact CD1-CD1 3.9Å; T160-L165 HydrophobicContact CG2-CB 3.96Å; T161-L165 WeakPolarHBondContact O-CB 3.4Å; T161-L165 PolarHBondContact O-N 2.91Å; E163-L165 PolarHBondContact O-N 3.01Å; L165-M168 PolarHBondContact O-N 2.99Å; L165-L169 WeakPolarHBondContact O-CG 3.46Å; L165-L169 PolarHBondContact O-N 3.46Å; L165-L169 VanDerWaalsContact O-N 3.11Å; L165-F177 HydrophobicContact CD1-CE1 3.94Å
166	E	90.8	Very high	84.7	Confident	37 Å²	37	64.2 Å²	64.2	17%	0.173	38%	0.382	C	S	.	.	H	α-helix	trans	-65.7	-46.6	175	-158.7	67	-150	0	0	110.5	R142 K146 S162 E163 E164 M168 L169 E170	R142-E166 IonicContact CZ-OE1 2.81Å; R142-E166 IonicContact NH1-OE1 3.16Å; R142-E166 PolarHBondContact NH1-OE1 2.87Å; R142-E166 IonicContact NH1-OE2 2.77Å; R142-E166 IonicContact NH2-OE1 2.67Å; R142-E166 PolarHBondContact NH2-OE1 3.48Å; K146-E166 WeakPolarHBondContact CE-OE2 3.36Å; K146-E166 IonicContact NZ-OE2 3.99Å; K146-E166 PolarHBondContact NZ-OE2 3.12Å; S162-E166 PolarHBondContact O-N 3.17Å; E163-E166 WeakPolarHBondContact O-CA 3.26Å; E163-E166 WeakPolarHBondContact O-CB 3.15Å; E163-E166 PolarHBondContact O-N 3.49Å; E164-E166 VanDerWaalsContact C-N 3.35Å; E166-M168 PolarHBondContact O-N 2.92Å; E166-L169 WeakPolarHBondContact O-CA 3.25Å; E166-L169 WeakPolarHBondContact O-CB 3.34Å; E166-L169 PolarHBondContact O-N 3.03Å; E166-E170 WeakPolarHBondContact O-CG 3.44Å; E166-E170 PolarHBondContact O-N 3.26Å
167	D	89.4	Confident	84.4	Confident	95 Å²	95	63.3 Å²	63.3	51%	0.508	38%	0.376	S	S	.	.	H	α-helix	trans	-55.6	-38.6	174.8	-68.3	-19	0	0	0	111.6	E163 S171	E163-D167 PolarHBondContact O-N 3.37Å; D167-S171 WeakPolarHBondContact O-CB 3.37Å; D167-S171 PolarHBondContact O-N 3.36Å
168	M	88.1	Confident	84.2	Confident	7 Å²	7	61.9 Å²	61.9	3%	0.034	36%	0.358	C	S	.	.	H	α-helix	trans	-65.4	-40.8	176.5	-72.1	174.4	72.8	0	0	112.3	T160 E164 L165 E166 S171 I176 F177	T160-M168 HydrophobicContact CG2-SD 4.19Å; E164-M168 VanDerWaalsContact O-CG 3.23Å; E164-M168 WeakPolarHBondContact O-CG 3.36Å; E164-M168 PolarHBondContact O-N 2.88Å; E164-M168 VanDerWaalsContact O-N 3.09Å; L165-M168 PolarHBondContact O-N 2.99Å; E166-M168 PolarHBondContact O-N 2.92Å; M168-S171 PolarHBondContact O-OG 2.81Å; M168-I176 HydrophobicContact CB-CD1 4.27Å; M168-I176 HydrophobicContact CB-CG2 4.1Å; M168-I176 HydrophobicContact CE-CG1 4.21Å; M168-I176 HydrophobicContact CE-CG2 4.08Å; M168-I176 HydrophobicContact CG-CD1 3.92Å; M168-I176 HydrophobicContact CG-CG1 4.16Å; M168-I176 HydrophobicContact CG-CG2 4.44Å; M168-F177 HydrophobicContact CB-CE1 4.02Å; M168-F177 HydrophobicContact CB-CZ 4.03Å; M168-F177 HydrophobicContact CE-CD1 3.44Å; M168-F177 VanDerWaalsContact CE-CD1 3.44Å; M168-F177 HydrophobicContact CE-CE1 3.64Å; M168-F177 HydrophobicContact CE-CG 4.2Å; M168-F177 HydrophobicContact SD-CE1 4.49Å
169	L	88.8	Confident	83.7	Confident	12 Å²	12	62 Å²	62	6%	0.063	37%	0.37	C	S	.	.	H	α-helix	trans	-68.1	-43.6	176.5	-66.8	169.1	0	0	0	111.4	K146 I149 L165 E166 S171 G172 F177 I202	K146-L169 HydrophobicContact CD-CD1 4.48Å; K146-L169 HydrophobicContact CG-CD1 4.26Å; I149-L169 HydrophobicContact CD1-CD2 4.09Å; L165-L169 WeakPolarHBondContact O-CG 3.46Å; L165-L169 PolarHBondContact O-N 3.46Å; L165-L169 VanDerWaalsContact O-N 3.11Å; E166-L169 WeakPolarHBondContact O-CA 3.25Å; E166-L169 WeakPolarHBondContact O-CB 3.34Å; E166-L169 PolarHBondContact O-N 3.03Å; L169-S171 VanDerWaalsContact C-N 3.3Å; L169-S171 PolarHBondContact O-N 3.23Å; L169-G172 PolarHBondContact O-N 3.18Å; L169-F177 HydrophobicContact CD2-CZ 3.88Å; L169-F177 HydrophobicContact CG-CZ 4.42Å; L169-I202 HydrophobicContact CD1-CD1 4.19Å; L169-I202 HydrophobicContact CD2-CD1 3.84Å
170	E	86.6	Confident	82.9	Confident	142 Å²	142	59.1 Å²	59.1	66%	0.664	37%	0.366	S	S	*	.	H	α-helix	trans	-68.7	-27.6	-179.9	-70.2	-173.6	-179.9	0	0	113.1	E166 G172	E166-E170 WeakPolarHBondContact O-CG 3.44Å; E166-E170 PolarHBondContact O-N 3.26Å; E170-G172 PolarHBondContact O-N 3.28Å
171	S	83.1	Confident	82.4	Confident	60 Å²	60	59.6 Å²	59.6	42%	0.42	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-20.6	179.8	76.5	0	0	0	0	114	D167 M168 L169 N173 I176	D167-S171 WeakPolarHBondContact O-CB 3.37Å; D167-S171 PolarHBondContact O-N 3.36Å; M168-S171 PolarHBondContact O-OG 2.81Å; L169-S171 VanDerWaalsContact C-N 3.3Å; L169-S171 PolarHBondContact O-N 3.23Å; S171-N173 PolarHBondContact O-N 3.45Å; S171-N173 VanDerWaalsContact O-N 3.08Å; S171-N173 PolarHBondContact OG-N 3.34Å; S171-I176 WeakPolarHBondContact OG-CD1 3.36Å
172	G	72.9	Confident	81.7	Confident	55 Å²	55	61.8 Å²	61.8	57%	0.567	38%	0.376	S	S	*	.			trans	63.9	12.1	179.5	0	0	0	0	0	114.4	L169 E170 P174	L169-G172 PolarHBondContact O-N 3.18Å; E170-G172 PolarHBondContact O-N 3.28Å; G172-P174 WeakPolarHBondContact O-CD 3.37Å
173	N	78.2	Confident	80.9	Confident	83 Å²	83	63.8 Å²	63.8	44%	0.444	38%	0.38	S	S	.	.			trans	-103.6	102.9	-179.4	-179.4	3.7	0	0	0	110.8	S171 A175 I176	S171-N173 PolarHBondContact O-N 3.45Å; S171-N173 VanDerWaalsContact O-N 3.08Å; S171-N173 PolarHBondContact OG-N 3.34Å; N173-A175 PolarHBondContact O-N 3.46Å; N173-A175 VanDerWaalsContact O-N 3.09Å; N173-A175 WeakPolarHBondContact OD1-CB 3.42Å; N173-A175 PolarHBondContact OD1-N 3.29Å; N173-A175 VanDerWaalsContact OD1-N 3.11Å; N173-I176 HydrophobicContact CB-CB 4.46Å; N173-I176 VanDerWaalsContact O-CB 3.23Å; N173-I176 WeakPolarHBondContact O-CB 3.36Å; N173-I176 WeakPolarHBondContact O-CG2 3.39Å; N173-I176 PolarHBondContact O-N 3.34Å
174	P	69.3	Low	80.2	Confident	75 Å²	75	63.8 Å²	63.8	49%	0.487	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-29.1	-178.9	-23.3	33.6	0	0	0	113.7	G172 I176	G172-P174 WeakPolarHBondContact O-CD 3.37Å; P174-I176 PolarHBondContact O-N 2.86Å
175	A	76.3	Confident	79.8	Confident	55 Å²	55	61.4 Å²	61.4	46%	0.455	38%	0.379	S	S	.	.	H	α-helix	trans	-71.4	-10.6	179.1	0	0	0	0	0	113.2	N173 F177 A178 S179	N173-A175 PolarHBondContact O-N 3.46Å; N173-A175 VanDerWaalsContact O-N 3.09Å; N173-A175 WeakPolarHBondContact OD1-CB 3.42Å; N173-A175 PolarHBondContact OD1-N 3.29Å; N173-A175 VanDerWaalsContact OD1-N 3.11Å; A175-F177 PolarHBondContact O-N 2.95Å; A175-A178 PolarHBondContact O-N 3.46Å; A175-A178 VanDerWaalsContact O-N 3.13Å; A175-S179 PolarHBondContact O-N 2.97Å
176	I	82.4	Confident	79.6	Confident	44 Å²	44	66 Å²	66	23%	0.226	41%	0.41	C	S	.	.	H	α-helix	trans	-62.9	-30.5	178.8	-158.5	164.1	0	0	0	112.3	M168 S171 N173 P174	M168-I176 HydrophobicContact CB-CD1 4.27Å; M168-I176 HydrophobicContact CB-CG2 4.1Å; M168-I176 HydrophobicContact CE-CG1 4.21Å; M168-I176 HydrophobicContact CE-CG2 4.08Å; M168-I176 HydrophobicContact CG-CD1 3.92Å; M168-I176 HydrophobicContact CG-CG1 4.16Å; M168-I176 HydrophobicContact CG-CG2 4.44Å; S171-I176 WeakPolarHBondContact OG-CD1 3.36Å; N173-I176 HydrophobicContact CB-CB 4.46Å; N173-I176 VanDerWaalsContact O-CB 3.23Å; N173-I176 WeakPolarHBondContact O-CB 3.36Å; N173-I176 WeakPolarHBondContact O-CG2 3.39Å; N173-I176 PolarHBondContact O-N 3.34Å; P174-I176 PolarHBondContact O-N 2.86Å
177	F	79.9	Confident	79.3	Confident	6 Å²	6	68.9 Å²	68.9	3%	0.026	43%	0.426	C	S	.	.	H	α-helix	trans	-77.3	-32.3	176	-62	-72.6	0	0	0	112.1	I149 L153 L165 M168 L169 A175 S179 I181 I195 H199	I149-F177 HydrophobicContact CG2-CD1 4.12Å; I149-F177 HydrophobicContact CG2-CE1 3.78Å; L153-F177 HydrophobicContact CD1-CD1 4.49Å; L165-F177 HydrophobicContact CD1-CE1 3.94Å; M168-F177 HydrophobicContact CB-CE1 4.02Å; M168-F177 HydrophobicContact CB-CZ 4.03Å; M168-F177 HydrophobicContact CE-CD1 3.44Å; M168-F177 VanDerWaalsContact CE-CD1 3.44Å; M168-F177 HydrophobicContact CE-CE1 3.64Å; M168-F177 HydrophobicContact CE-CG 4.2Å; M168-F177 HydrophobicContact SD-CE1 4.49Å; L169-F177 HydrophobicContact CD2-CZ 3.88Å; L169-F177 HydrophobicContact CG-CZ 4.42Å; A175-F177 PolarHBondContact O-N 2.95Å; F177-S179 VanDerWaalsContact C-N 3.34Å; F177-I181 WeakPolarHBondContact O-CD1 3.29Å; F177-I181 WeakPolarHBondContact O-CG1 3.28Å; F177-I195 HydrophobicContact CB-CG2 3.62Å; F177-I195 HydrophobicContact CD1-CG2 3.62Å; F177-I195 HydrophobicContact CD2-CG2 4.02Å; F177-I195 HydrophobicContact CE1-CG2 4.32Å; F177-I195 HydrophobicContact CG-CG2 3.45Å; F177-I195 VanDerWaalsContact CG-CG2 3.45Å; F177-H199 HydrophobicContact CE2-CB 4.36Å; F177-H199 AromaticContact CE2-CD2 3.85Å; F177-H199 AromaticContact CE2-CG 3.91Å
178	A	78.6	Confident	79	Confident	39 Å²	39	65 Å²	65	32%	0.322	41%	0.407	S	S	.	.	H	α-helix	trans	-72.8	-30.2	173.7	0	0	0	0	0	112.3	A175 G180 I181 L192	A175-A178 PolarHBondContact O-N 3.46Å; A175-A178 VanDerWaalsContact O-N 3.13Å; A178-G180 PolarHBondContact O-N 3.46Å; A178-G180 VanDerWaalsContact O-N 3.13Å; A178-I181 PolarHBondContact O-N 3.2Å; A178-L192 HydrophobicContact CB-CD1 3.72Å
179	S	71.3	Confident	78.9	Confident	82 Å²	82	70.6 Å²	70.6	57%	0.573	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	108.2	178.9	-168.1	0	0	0	0	110.8	R158 A175 F177	R158-S179 PolarHBondContact NH1-O 3.19Å; A175-S179 PolarHBondContact O-N 2.97Å; F177-S179 VanDerWaalsContact C-N 3.34Å
180	G	68.8	Low	78.8	Confident	66 Å²	66	75.2 Å²	75.2	68%	0.68	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	102.4	-0.9	179.1	0	0	0	0	0	115.3	A178	A178-G180 PolarHBondContact O-N 3.46Å; A178-G180 VanDerWaalsContact O-N 3.13Å
181	I	76.7	Confident	78.9	Confident	13 Å²	13	68.5 Å²	68.5	7%	0.067	42%	0.421	C	S	.	.			trans	-94	127	171.8	-62.9	178.4	0	0	0	109.6	L153 T156 F177 A178 M183 L192 I195	L153-I181 HydrophobicContact CD2-CD1 4.21Å; T156-I181 HydrophobicContact CG2-CD1 4.02Å; T156-I181 HydrophobicContact CG2-CG1 4.32Å; T156-I181 HydrophobicContact CG2-CG2 3.85Å; F177-I181 WeakPolarHBondContact O-CD1 3.29Å; F177-I181 WeakPolarHBondContact O-CG1 3.28Å; A178-I181 PolarHBondContact O-N 3.2Å; I181-M183 PolarHBondContact O-N 3Å; I181-L192 HydrophobicContact CD1-CD1 4.4Å; I181-I195 HydrophobicContact CD1-CD1 4.31Å
182	I	75.3	Confident	79.1	Confident	119 Å²	119	67 Å²	67	61%	0.61	41%	0.408	S	S	*	.			trans	-73.6	113.3	174.7	-57.7	171.1	0	0	0	108.7	D184 S188	I182-D184 HydrophobicContact CG2-CB 3.85Å; I182-D184 WeakPolarHBondContact CG2-OD2 3.38Å; I182-D184 PolarHBondContact O-N 3.15Å; I182-S188 WeakPolarHBondContact O-CB 3.42Å; I182-S188 PolarHBondContact O-OG 3.12Å
183	M	72.8	Confident	79.8	Confident	104 Å²	104	66.9 Å²	66.9	51%	0.512	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	7.5	-176.7	-63.2	-170.6	102.1	0	0	114.6	I181 S185 K189 L192	I181-M183 PolarHBondContact O-N 3Å; M183-S185 VanDerWaalsContact C-N 3.3Å; M183-S185 PolarHBondContact O-N 3.31Å; M183-K189 WeakPolarHBondContact O-CE 3.38Å; M183-L192 HydrophobicContact CE-CD1 4.3Å
184	D	75.1	Confident	80.3	Confident	151 Å²	151	63.6 Å²	63.6	81%	0.807	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-18	-173.6	-61.5	-22.3	0	0	0	113.2	I182	I182-D184 HydrophobicContact CG2-CB 3.85Å; I182-D184 WeakPolarHBondContact CG2-OD2 3.38Å; I182-D184 PolarHBondContact O-N 3.15Å
185	S	82.1	Confident	81.3	Confident	45 Å²	45	60 Å²	60	32%	0.315	36%	0.357	S	S	.	.	S	Bend	trans	-102.4	139	178.4	-178.7	0	0	0	0	112	M183 I187 S188 K189	M183-S185 VanDerWaalsContact C-N 3.3Å; M183-S185 PolarHBondContact O-N 3.31Å; S185-I187 PolarHBondContact O-N 3.36Å; S185-I187 WeakPolarHBondContact OG-CB 3.29Å; S185-I187 PolarHBondContact OG-N 2.96Å; S185-S188 PolarHBondContact O-N 3.1Å; S185-S188 VanDerWaalsContact O-N 3.15Å; S185-K189 PolarHBondContact O-N 3.41Å
186	S	84.3	Confident	81.9	Confident	95 Å²	95	62.9 Å²	62.9	66%	0.664	36%	0.361	S	S	*	.	H	α-helix	trans	-57.7	-31.1	169.4	52.3	0	0	0	0	112	K189 Q190	S186-K189 PolarHBondContact O-N 3.39Å; S186-Q190 PolarHBondContact O-N 2.88Å; S186-Q190 VanDerWaalsContact O-N 3.08Å
187	I	84.6	Confident	82.2	Confident	98 Å²	98	62 Å²	62	50%	0.503	36%	0.358	S	S	.	.	H	α-helix	trans	-66.1	-45	176.7	-58.7	171	0	0	0	110.4	I155 S185 K189 Q190 A191	I155-I187 HydrophobicContact CG2-CG2 3.78Å; S185-I187 PolarHBondContact O-N 3.36Å; S185-I187 WeakPolarHBondContact OG-CB 3.29Å; S185-I187 PolarHBondContact OG-N 2.96Å; I187-K189 VanDerWaalsContact C-N 3.32Å; I187-K189 PolarHBondContact O-N 2.93Å; I187-Q190 PolarHBondContact O-N 3.07Å; I187-A191 WeakPolarHBondContact O-CB 3.29Å; I187-A191 PolarHBondContact O-N 3.46Å
188	S	84.6	Confident	82.8	Confident	15 Å²	15	61.8 Å²	61.8	11%	0.105	36%	0.357	C	S	.	.	H	α-helix	trans	-62.5	-38.9	177.7	-56.8	0	0	0	0	112.2	I182 S185 A191 L192	I182-S188 WeakPolarHBondContact O-CB 3.42Å; I182-S188 PolarHBondContact O-OG 3.12Å; S185-S188 PolarHBondContact O-N 3.1Å; S185-S188 VanDerWaalsContact O-N 3.15Å; S188-A191 PolarHBondContact O-N 2.75Å; S188-L192 WeakPolarHBondContact O-CB 3.49Å; S188-L192 PolarHBondContact O-N 3.49Å
189	K	85.8	Confident	83.4	Confident	124 Å²	124	60.3 Å²	60.3	54%	0.539	34%	0.344	S	S	.	.	H	α-helix	trans	-65.1	-41.3	176.1	-67.7	-177.2	-178	-179.6	0	112	M183 S185 S186 I187 S193	M183-K189 WeakPolarHBondContact O-CE 3.38Å; S185-K189 PolarHBondContact O-N 3.41Å; S186-K189 PolarHBondContact O-N 3.39Å; I187-K189 VanDerWaalsContact C-N 3.32Å; I187-K189 PolarHBondContact O-N 2.93Å; K189-S193 PolarHBondContact O-N 3.02Å
190	Q	87.1	Confident	84.3	Confident	108 Å²	108	58.9 Å²	58.9	51%	0.505	33%	0.333	S	S	.	.	H	α-helix	trans	-66.5	-44.2	176.6	-175.9	175.9	-9.8	0	0	111.7	S186 I187 L192 S193 E194	S186-Q190 PolarHBondContact O-N 2.88Å; S186-Q190 VanDerWaalsContact O-N 3.08Å; I187-Q190 PolarHBondContact O-N 3.07Å; Q190-L192 VanDerWaalsContact C-N 3.32Å; Q190-L192 PolarHBondContact O-N 3.49Å; Q190-S193 PolarHBondContact O-N 2.9Å; Q190-E194 PolarHBondContact O-N 3.49Å
191	A	87.5	Confident	85.3	Confident	2 Å²	2	56.1 Å²	56.1	2%	0.017	30%	0.303	C	S	.	.	H	α-helix	trans	-59.2	-43.6	176.5	0	0	0	0	0	111.6	Q152 T156 I187 S188 E194 I195	Q152-A191 HydrophobicContact CB-CB 4.34Å; T156-A191 HydrophobicContact CG2-CB 3.63Å; I187-A191 WeakPolarHBondContact O-CB 3.29Å; I187-A191 PolarHBondContact O-N 3.46Å; S188-A191 PolarHBondContact O-N 2.75Å; A191-E194 PolarHBondContact O-N 2.99Å; A191-I195 VanDerWaalsContact O-CG1 3.24Å; A191-I195 WeakPolarHBondContact O-CG1 3.46Å; A191-I195 PolarHBondContact O-N 2.92Å
192	L	87.4	Confident	86	Confident	28 Å²	28	55.7 Å²	55.7	15%	0.147	30%	0.301	C	S	.	.	H	α-helix	trans	-64.2	-41.7	177.6	-168.3	151.3	0	0	0	112.3	A178 I181 M183 S188 Q190 E194 I195 E196	A178-L192 HydrophobicContact CB-CD1 3.72Å; I181-L192 HydrophobicContact CD1-CD1 4.4Å; M183-L192 HydrophobicContact CE-CD1 4.3Å; S188-L192 WeakPolarHBondContact O-CB 3.49Å; S188-L192 PolarHBondContact O-N 3.49Å; Q190-L192 VanDerWaalsContact C-N 3.32Å; Q190-L192 PolarHBondContact O-N 3.49Å; L192-E194 VanDerWaalsContact C-N 3.32Å; L192-E194 PolarHBondContact O-N 3.4Å; L192-I195 PolarHBondContact O-N 2.89Å; L192-E196 WeakPolarHBondContact O-CB 3.49Å; L192-E196 PolarHBondContact O-N 3.27Å
193	S	88.2	Confident	86.8	Confident	53 Å²	53	53.2 Å²	53.2	37%	0.371	29%	0.288	S	S	.	.	H	α-helix	trans	-62.3	-38.3	175.2	-176.2	0	0	0	0	112.5	K189 Q190 T197	K189-S193 PolarHBondContact O-N 3.02Å; Q190-S193 PolarHBondContact O-N 2.9Å; S193-T197 PolarHBondContact O-N 3.36Å; S193-T197 VanDerWaalsContact O-N 3.11Å; S193-T197 PolarHBondContact O-OG1 2.99Å
194	E	89.1	Confident	87.6	Confident	13 Å²	13	50.9 Å²	50.9	6%	0.061	28%	0.275	C	S	.	.	H	α-helix	trans	-69.2	-43.1	175.3	-171.7	177	149.3	0	0	111	Q152 Q190 A191 L192 E196 T197 R198	Q152-E194 HydrophobicContact CG-CB 4.35Å; Q152-E194 HydrophobicContact CG-CG 4.28Å; Q152-E194 PolarHBondContact NE2-OE1 3.08Å; Q152-E194 PolarHBondContact NE2-OE2 2.89Å; Q190-E194 PolarHBondContact O-N 3.49Å; A191-E194 PolarHBondContact O-N 2.99Å; L192-E194 VanDerWaalsContact C-N 3.32Å; L192-E194 PolarHBondContact O-N 3.4Å; E194-E196 PolarHBondContact O-N 2.97Å; E194-T197 WeakPolarHBondContact O-CB 3.13Å; E194-T197 PolarHBondContact O-N 2.88Å; E194-R198 WeakPolarHBondContact O-CG 3.45Å; E194-R198 PolarHBondContact O-N 3.45Å
195	I	90.3	Very high	88.3	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-57.5	-48.4	175.9	-70.1	165	0	0	0	110.8	I149 Q152 L153 F177 I181 A191 L192 T197 R198 H199	I149-I195 HydrophobicContact CG1-CG2 4.4Å; I149-I195 HydrophobicContact CG2-CG1 4.24Å; I149-I195 HydrophobicContact CG2-CG2 3.91Å; Q152-I195 HydrophobicContact CB-CD1 3.73Å; Q152-I195 HydrophobicContact CB-CG1 3.52Å; Q152-I195 HydrophobicContact CG-CG1 4.27Å; L153-I195 HydrophobicContact CD2-CD1 3.96Å; L153-I195 HydrophobicContact CG-CD1 4.07Å; F177-I195 HydrophobicContact CB-CG2 3.62Å; F177-I195 HydrophobicContact CD1-CG2 3.62Å; F177-I195 HydrophobicContact CD2-CG2 4.02Å; F177-I195 HydrophobicContact CE1-CG2 4.32Å; F177-I195 HydrophobicContact CG-CG2 3.45Å; F177-I195 VanDerWaalsContact CG-CG2 3.45Å; I181-I195 HydrophobicContact CD1-CD1 4.31Å; A191-I195 VanDerWaalsContact O-CG1 3.24Å; A191-I195 WeakPolarHBondContact O-CG1 3.46Å; A191-I195 PolarHBondContact O-N 2.92Å; L192-I195 PolarHBondContact O-N 2.89Å; I195-T197 VanDerWaalsContact C-N 3.31Å; I195-T197 PolarHBondContact O-N 2.89Å; I195-R198 PolarHBondContact O-N 3.45Å; I195-H199 WeakPolarHBondContact O-CB 3.44Å; I195-H199 PolarHBondContact O-N 3.14Å
196	E	88.3	Confident	88.7	Confident	115 Å²	115	44.3 Å²	44.3	54%	0.537	23%	0.234	S	C	.	.	H	α-helix	trans	-60.2	-42.6	178.6	-174.7	173.7	-166.7	0	0	111.6	L192 E194 H199 S200	L192-E196 WeakPolarHBondContact O-CB 3.49Å; L192-E196 PolarHBondContact O-N 3.27Å; E194-E196 PolarHBondContact O-N 2.97Å; E196-H199 PolarHBondContact O-N 2.87Å; E196-S200 PolarHBondContact O-N 3.17Å
197	T	89.6	Confident	88.9	Confident	27 Å²	27	43.1 Å²	43.1	17%	0.166	22%	0.221	C	C	.	.	H	α-helix	trans	-59.8	-49.9	175.2	-58.9	0	0	0	0	110.8	P67 S193 E194 I195 H199 S200 E201	P67-T197 HydrophobicContact CG-CG2 4.12Å; S193-T197 PolarHBondContact O-N 3.36Å; S193-T197 VanDerWaalsContact O-N 3.11Å; S193-T197 PolarHBondContact O-OG1 2.99Å; E194-T197 WeakPolarHBondContact O-CB 3.13Å; E194-T197 PolarHBondContact O-N 2.88Å; I195-T197 VanDerWaalsContact C-N 3.31Å; I195-T197 PolarHBondContact O-N 2.89Å; T197-H199 PolarHBondContact O-N 3.07Å; T197-S200 WeakPolarHBondContact O-CB 3.41Å; T197-S200 PolarHBondContact O-N 3.4Å; T197-E201 WeakPolarHBondContact O-CG 3.26Å; T197-E201 PolarHBondContact O-N 3.16Å; T197-E201 VanDerWaalsContact O-N 3.12Å
198	R	91.4	Very high	89.1	Confident	1 Å²	1	38.9 Å²	38.9	0%	0.004	20%	0.2	C	C	.	.	H	α-helix	trans	-65.7	-37.4	179.9	-62.2	-52.4	171.9	-155.3	-3	113.1	I61 S64 C145 R148 I149 E194 I195 E201 I202	I61-R198 PolarHBondContact O-NH1 3.06Å; I61-R198 PolarHBondContact O-NH2 3.17Å; S64-R198 PolarHBondContact O-NH2 3.27Å; C145-R198 HydrophobicContact CB-CB 4.49Å; R148-R198 HydrophobicContact CB-CG 4.28Å; I149-R198 HydrophobicContact CD1-CB 3.89Å; I149-R198 HydrophobicContact CG1-CB 3.67Å; I149-R198 HydrophobicContact CG1-CG 4.44Å; E194-R198 WeakPolarHBondContact O-CG 3.45Å; E194-R198 PolarHBondContact O-N 3.45Å; I195-R198 PolarHBondContact O-N 3.45Å; R198-E201 PolarHBondContact O-N 3.18Å; R198-I202 WeakPolarHBondContact O-CG1 3.26Å; R198-I202 PolarHBondContact O-N 3.31Å
199	H	91	Very high	89.2	Confident	8 Å²	8	40.3 Å²	40.3	4%	0.037	21%	0.206	C	C	.	.	H	α-helix	trans	-63.4	-43.1	175.7	178.7	-121.5	0	0	0	111.5	I149 F177 I195 E196 T197 E201 I202 I203	I149-H199 HydrophobicContact CD1-CB 4.47Å; F177-H199 HydrophobicContact CE2-CB 4.36Å; F177-H199 AromaticContact CE2-CD2 3.85Å; F177-H199 AromaticContact CE2-CG 3.91Å; I195-H199 WeakPolarHBondContact O-CB 3.44Å; I195-H199 PolarHBondContact O-N 3.14Å; E196-H199 PolarHBondContact O-N 2.87Å; T197-H199 PolarHBondContact O-N 3.07Å; H199-E201 VanDerWaalsContact C-N 3.3Å; H199-E201 PolarHBondContact O-N 2.93Å; H199-I202 PolarHBondContact O-N 2.87Å; H199-I203 VanDerWaalsContact CE1-CD1 3.48Å; H199-I203 WeakPolarHBondContact CE1-CD1 3.32Å; H199-I203 WeakPolarHBondContact O-CG1 3.47Å; H199-I203 PolarHBondContact O-N 3.48Å
200	S	89.6	Confident	89.3	Confident	51 Å²	51	41.4 Å²	41.4	36%	0.357	21%	0.207	S	C	.	.	H	α-helix	trans	-58.8	-41.9	173.9	-174.1	0	0	0	0	112	E196 T197 I203 K204	E196-S200 PolarHBondContact O-N 3.17Å; T197-S200 WeakPolarHBondContact O-CB 3.41Å; T197-S200 PolarHBondContact O-N 3.4Å; S200-I203 PolarHBondContact O-N 3.16Å; S200-K204 WeakPolarHBondContact O-CG 3.38Å; S200-K204 PolarHBondContact O-N 3.25Å
201	E	89.9	Confident	89.1	Confident	9 Å²	9	41.4 Å²	41.4	4%	0.042	21%	0.207	C	C	.	.	H	α-helix	trans	-64.4	-39.6	176.7	-64.5	-64	120.8	0	0	112.5	Y141 T197 R198 H199 K204 L205	Y141-E201 HydrophobicContact CE1-CB 4.25Å; T197-E201 WeakPolarHBondContact O-CG 3.26Å; T197-E201 PolarHBondContact O-N 3.16Å; T197-E201 VanDerWaalsContact O-N 3.12Å; R198-E201 PolarHBondContact O-N 3.18Å; H199-E201 VanDerWaalsContact C-N 3.3Å; H199-E201 PolarHBondContact O-N 2.93Å; E201-K204 PolarHBondContact O-N 3.28Å; E201-K204 IonicContact OE1-NZ 3.15Å; E201-K204 PolarHBondContact OE1-NZ 2.84Å; E201-L205 WeakPolarHBondContact O-CB 3.37Å; E201-L205 PolarHBondContact O-N 2.93Å
202	I	92.7	Very high	89	Confident	3 Å²	3	41.4 Å²	41.4	2%	0.015	21%	0.206	C	C	.	.	H	α-helix	trans	-60.4	-44.9	173.6	-70.5	170.7	0	0	0	110.7	R142 C145 I149 L169 R198 H199 K204 L205 E206	R142-I202 HydrophobicContact CG-CG1 4.41Å; R142-I202 HydrophobicContact CG-CG2 4.27Å; C145-I202 HydrophobicContact CB-CD1 3.84Å; C145-I202 HydrophobicContact CB-CG1 3.68Å; I149-I202 HydrophobicContact CD1-CD1 3.78Å; L169-I202 HydrophobicContact CD1-CD1 4.19Å; L169-I202 HydrophobicContact CD2-CD1 3.84Å; R198-I202 WeakPolarHBondContact O-CG1 3.26Å; R198-I202 PolarHBondContact O-N 3.31Å; H199-I202 PolarHBondContact O-N 2.87Å; I202-K204 PolarHBondContact O-N 3.2Å; I202-L205 WeakPolarHBondContact O-CB 3.46Å; I202-L205 PolarHBondContact O-N 3.39Å; I202-E206 HydrophobicContact CG2-CG 4.3Å; I202-E206 WeakPolarHBondContact O-CG 3.46Å; I202-E206 PolarHBondContact O-N 2.59Å
203	I	91	Very high	88.6	Confident	68 Å²	68	44.4 Å²	44.4	35%	0.349	22%	0.219	S	C	.	.	H	α-helix	trans	-61.6	-45.8	179.1	-67.8	163.2	0	0	0	111	H199 S200 L205 E206 N207	H199-I203 VanDerWaalsContact CE1-CD1 3.48Å; H199-I203 WeakPolarHBondContact CE1-CD1 3.32Å; H199-I203 WeakPolarHBondContact O-CG1 3.47Å; H199-I203 PolarHBondContact O-N 3.48Å; S200-I203 PolarHBondContact O-N 3.16Å; I203-L205 VanDerWaalsContact C-N 3.28Å; I203-L205 PolarHBondContact O-N 3.48Å; I203-E206 PolarHBondContact O-N 3.03Å; I203-N207 WeakPolarHBondContact O-CB 3.49Å; I203-N207 PolarHBondContact O-N 2.95Å; I203-N207 PolarHBondContact O-ND2 2.95Å
204	K	89.8	Confident	88.1	Confident	55 Å²	55	47.2 Å²	47.2	24%	0.239	23%	0.23	C	C	.	.	H	α-helix	trans	-59.7	-42.2	178.2	-70.3	175.7	-172.5	178.5	0	111.3	E76 S200 E201 I202 N207 S208	E76-K204 WeakPolarHBondContact OE1-CD 3.45Å; E76-K204 WeakPolarHBondContact OE1-CE 3.27Å; E76-K204 IonicContact OE1-NZ 3.53Å; E76-K204 PolarHBondContact OE1-NZ 3.42Å; S200-K204 WeakPolarHBondContact O-CG 3.38Å; S200-K204 PolarHBondContact O-N 3.25Å; E201-K204 PolarHBondContact O-N 3.28Å; E201-K204 IonicContact OE1-NZ 3.15Å; E201-K204 PolarHBondContact OE1-NZ 2.84Å; I202-K204 PolarHBondContact O-N 3.2Å; K204-N207 PolarHBondContact O-N 3.27Å; K204-S208 PolarHBondContact O-N 3Å
205	L	90.8	Very high	87.8	Confident	3 Å²	3	46.8 Å²	46.8	2%	0.016	23%	0.228	C	C	.	.	H	α-helix	trans	-62.7	-49.7	176.8	179.9	145	0	0	0	112.6	Q138 Y141 R142 E201 I202 I203 N207 S208 I209	Q138-L205 HydrophobicContact CB-CD1 3.9Å; Q138-L205 HydrophobicContact CB-CD2 4.26Å; Q138-L205 HydrophobicContact CB-CG 3.98Å; Q138-L205 WeakPolarHBondContact O-CD1 3.37Å; Y141-L205 HydrophobicContact CD1-CD1 3.6Å; Y141-L205 HydrophobicContact CG-CD1 4.35Å; R142-L205 HydrophobicContact CB-CD1 4.31Å; R142-L205 HydrophobicContact CB-CD2 3.9Å; R142-L205 HydrophobicContact CG-CD2 4.3Å; E201-L205 WeakPolarHBondContact O-CB 3.37Å; E201-L205 PolarHBondContact O-N 2.93Å; I202-L205 WeakPolarHBondContact O-CB 3.46Å; I202-L205 PolarHBondContact O-N 3.39Å; I203-L205 VanDerWaalsContact C-N 3.28Å; I203-L205 PolarHBondContact O-N 3.48Å; L205-N207 VanDerWaalsContact C-N 3.26Å; L205-N207 PolarHBondContact O-N 3.13Å; L205-S208 WeakPolarHBondContact O-CB 3.23Å; L205-S208 PolarHBondContact O-N 3.32Å; L205-S208 VanDerWaalsContact O-N 3.08Å; L205-I209 HydrophobicContact CD2-CD1 3.6Å; L205-I209 HydrophobicContact CD2-CG1 4.38Å; L205-I209 HydrophobicContact CG-CD1 4.38Å; L205-I209 WeakPolarHBondContact O-CG1 3.36Å; L205-I209 PolarHBondContact O-N 3.41Å
206	E	89.9	Confident	87.3	Confident	54 Å²	54	49 Å²	49	25%	0.252	24%	0.238	S	C	.	.	H	α-helix	trans	-62.4	-36.9	178.9	-73.3	179.2	176.6	0	0	111.8	R142 I202 I203 R210	R142-E206 IonicContact CZ-OE1 2.72Å; R142-E206 VanDerWaalsContact CZ-OE1 3.27Å; R142-E206 IonicContact NE-OE1 2.68Å; R142-E206 PolarHBondContact NE-OE1 3.3Å; R142-E206 IonicContact NH2-OE1 3.86Å; R142-E206 PolarHBondContact NH2-OE1 3.18Å; I202-E206 HydrophobicContact CG2-CG 4.3Å; I202-E206 WeakPolarHBondContact O-CG 3.46Å; I202-E206 PolarHBondContact O-N 2.59Å; I203-E206 PolarHBondContact O-N 3.03Å; E206-R210 WeakPolarHBondContact O-CB 3.29Å; E206-R210 PolarHBondContact O-N 3.39Å
207	N	89.5	Confident	86.9	Confident	70 Å²	70	48 Å²	48	37%	0.374	24%	0.235	S	C	.	.	H	α-helix	trans	-63	-45.3	171.9	-68.8	-21.9	0	0	0	111.3	I203 K204 L205 I209 R210 E211	I203-N207 WeakPolarHBondContact O-CB 3.49Å; I203-N207 PolarHBondContact O-N 2.95Å; I203-N207 PolarHBondContact O-ND2 2.95Å; K204-N207 PolarHBondContact O-N 3.27Å; L205-N207 VanDerWaalsContact C-N 3.26Å; L205-N207 PolarHBondContact O-N 3.13Å; N207-I209 PolarHBondContact O-N 3.31Å; N207-R210 PolarHBondContact O-N 2.93Å; N207-R210 PolarHBondContact OD1-NH1 3.04Å; N207-E211 WeakPolarHBondContact O-CB 3.28Å; N207-E211 VanDerWaalsContact O-CG 3.26Å; N207-E211 WeakPolarHBondContact O-CG 3.5Å; N207-E211 PolarHBondContact O-N 3.06Å
208	S	87.5	Confident	86.3	Confident	9 Å²	9	49.3 Å²	49.3	6%	0.063	24%	0.241	C	C	.	.	H	α-helix	trans	-59.5	-45.5	177	-174.2	0	0	0	0	112.3	Y134 K204 L205 E211 L212	Y134-S208 PolarHBondContact OH-OG 2.78Å; K204-S208 PolarHBondContact O-N 3Å; L205-S208 WeakPolarHBondContact O-CB 3.23Å; L205-S208 PolarHBondContact O-N 3.32Å; L205-S208 VanDerWaalsContact O-N 3.08Å; S208-E211 PolarHBondContact O-N 3.08Å; S208-L212 WeakPolarHBondContact O-CG 3.43Å; S208-L212 PolarHBondContact O-N 3.05Å
209	I	87.2	Confident	85.4	Confident	46 Å²	46	49.9 Å²	49.9	24%	0.236	24%	0.244	C	C	.	.	H	α-helix	trans	-63.8	-44.9	176.4	-64.5	176.2	0	0	0	110.4	Q138 L205 N207 E211 L212 H213	Q138-I209 HydrophobicContact CB-CD1 3.77Å; Q138-I209 HydrophobicContact CB-CG1 4.04Å; Q138-I209 HydrophobicContact CG-CG1 4.34Å; L205-I209 HydrophobicContact CD2-CD1 3.6Å; L205-I209 HydrophobicContact CD2-CG1 4.38Å; L205-I209 HydrophobicContact CG-CD1 4.38Å; L205-I209 WeakPolarHBondContact O-CG1 3.36Å; L205-I209 PolarHBondContact O-N 3.41Å; N207-I209 PolarHBondContact O-N 3.31Å; I209-E211 VanDerWaalsContact C-N 3.31Å; I209-E211 PolarHBondContact O-N 3.24Å; I209-L212 CarbonylContact O-C 3.58Å; I209-L212 PolarHBondContact O-N 3.43Å; I209-H213 PolarHBondContact O-N 2.99Å
210	R	88.1	Confident	84.6	Confident	146 Å²	146	52.3 Å²	52.3	55%	0.551	27%	0.265	S	S	*	.	H	α-helix	trans	-62	-38.6	180	-169.5	-178.7	-59.6	105.2	1.5	112.1	E206 N207 L212 H213	E206-R210 WeakPolarHBondContact O-CB 3.29Å; E206-R210 PolarHBondContact O-N 3.39Å; N207-R210 PolarHBondContact O-N 2.93Å; N207-R210 PolarHBondContact OD1-NH1 3.04Å; R210-L212 PolarHBondContact O-N 3.3Å; R210-H213 WeakPolarHBondContact O-CB 3.06Å; R210-H213 PolarHBondContact O-N 3.17Å
211	E	82.9	Confident	83.9	Confident	109 Å²	109	55.1 Å²	55.1	51%	0.509	27%	0.274	S	S	.	.	H	α-helix	trans	-67	-24	176	-72.6	-178.2	153.1	0	0	113.5	K83 N207 S208 I209	K83-E211 WeakPolarHBondContact CD-OE2 3.39Å; K83-E211 WeakPolarHBondContact CE-OE2 3.5Å; K83-E211 IonicContact NZ-OE1 2.82Å; K83-E211 PolarHBondContact NZ-OE1 2.89Å; K83-E211 VanDerWaalsContact NZ-OE1 3.15Å; K83-E211 IonicContact NZ-OE2 3.74Å; K83-E211 PolarHBondContact NZ-OE2 3.31Å; N207-E211 WeakPolarHBondContact O-CB 3.28Å; N207-E211 VanDerWaalsContact O-CG 3.26Å; N207-E211 WeakPolarHBondContact O-CG 3.5Å; N207-E211 PolarHBondContact O-N 3.06Å; S208-E211 PolarHBondContact O-N 3.08Å; I209-E211 VanDerWaalsContact C-N 3.31Å; I209-E211 PolarHBondContact O-N 3.24Å
212	L	83.9	Confident	83	Confident	2 Å²	2	55.3 Å²	55.3	1%	0.01	28%	0.275	C	S	.	.	H	α-helix	trans	-95	-4.8	175.5	-65.3	170.7	0	0	0	112.8	K83 M131 Y134 S208 I209 R210 D214 M215 F216	K83-L212 HydrophobicContact CB-CD2 4.49Å; K83-L212 HydrophobicContact CG-CD2 4.37Å; M131-L212 HydrophobicContact CE-CD1 3.91Å; M131-L212 HydrophobicContact CE-CD2 4.17Å; Y134-L212 HydrophobicContact CD1-CD1 3.82Å; Y134-L212 HydrophobicContact CE1-CD1 3.37Å; S208-L212 WeakPolarHBondContact O-CG 3.43Å; S208-L212 PolarHBondContact O-N 3.05Å; I209-L212 CarbonylContact O-C 3.58Å; I209-L212 PolarHBondContact O-N 3.43Å; R210-L212 PolarHBondContact O-N 3.3Å; L212-D214 VanDerWaalsContact C-N 3.32Å; L212-D214 PolarHBondContact O-N 3.47Å; L212-M215 HydrophobicContact CD2-CE 3.57Å; L212-M215 HydrophobicContact CD2-SD 4.07Å; L212-M215 WeakPolarHBondContact O-CA 3.48Å; L212-M215 VanDerWaalsContact O-CB 3.29Å; L212-M215 WeakPolarHBondContact O-CB 3.39Å; L212-M215 PolarHBondContact O-N 3.1Å; L212-F216 HydrophobicContact CB-CD2 4.17Å; L212-F216 HydrophobicContact CB-CE2 3.87Å; L212-F216 VanDerWaalsContact O-CD2 3.27Å; L212-F216 WeakPolarHBondContact O-CD2 3.39Å; L212-F216 PolarHBondContact O-N 3.43Å
213	H	81	Confident	81.9	Confident	90 Å²	90	57.9 Å²	57.9	42%	0.417	29%	0.29	S	S	.	.	H	α-helix	trans	-54.9	-47.1	-179.6	177.1	-87.5	0	0	0	112.1	I209 R210 M215 F216 M217	I209-H213 PolarHBondContact O-N 2.99Å; R210-H213 WeakPolarHBondContact O-CB 3.06Å; R210-H213 PolarHBondContact O-N 3.17Å; H213-M215 PolarHBondContact O-N 3Å; H213-F216 PolarHBondContact O-N 2.97Å; H213-F216 VanDerWaalsContact O-N 3.1Å; H213-M217 VanDerWaalsContact NE2-CE 3.33Å; H213-M217 WeakPolarHBondContact NE2-CE 3.04Å; H213-M217 WeakPolarHBondContact O-CG 3.5Å; H213-M217 PolarHBondContact O-N 3.09Å
214	D	77.8	Confident	80.9	Confident	112 Å²	112	62.2 Å²	62.2	60%	0.599	31%	0.309	S	S	*	.	H	α-helix	trans	-60.8	-34.8	178.4	-67.1	-8.6	0	0	0	111.8	L212 D218	L212-D214 VanDerWaalsContact C-N 3.32Å; L212-D214 PolarHBondContact O-N 3.47Å; D214-D218 WeakPolarHBondContact O-CB 3.4Å; D214-D218 PolarHBondContact O-N 3.08Å
215	M	82.4	Confident	79.7	Confident	5 Å²	5	63.8 Å²	63.8	3%	0.025	33%	0.327	C	S	.	.	H	α-helix	trans	-70.4	-40.9	175.8	-174.2	-172.1	-56.9	0	0	111.6	A86 F127 M131 L212 H213 M217 D218 M219	A86-M215 HydrophobicContact CB-CE 3.57Å; A86-M215 HydrophobicContact CB-SD 3.59Å; A86-M215 VanDerWaalsContact CB-SD 3.59Å; F127-M215 HydrophobicContact CE1-CG 4.41Å; F127-M215 HydrophobicContact CE1-SD 4.23Å; F127-M215 HydrophobicContact CZ-CG 4.38Å; F127-M215 HydrophobicContact CZ-SD 3.63Å; M131-M215 HydrophobicContact CE-SD 3.92Å; M131-M215 HydrophobicContact SD-SD 4.48Å; L212-M215 HydrophobicContact CD2-CE 3.57Å; L212-M215 HydrophobicContact CD2-SD 4.07Å; L212-M215 WeakPolarHBondContact O-CA 3.48Å; L212-M215 VanDerWaalsContact O-CB 3.29Å; L212-M215 WeakPolarHBondContact O-CB 3.39Å; L212-M215 PolarHBondContact O-N 3.1Å; H213-M215 PolarHBondContact O-N 3Å; M215-M217 VanDerWaalsContact C-N 3.33Å; M215-D218 PolarHBondContact O-N 3.47Å; M215-M219 WeakPolarHBondContact O-CB 3.29Å; M215-M219 VanDerWaalsContact O-CG 3.24Å; M215-M219 WeakPolarHBondContact O-CG 2.99Å; M215-M219 PolarHBondContact O-N 3.29Å
216	F	78.9	Confident	78.2	Confident	45 Å²	45	65.4 Å²	65.4	20%	0.197	34%	0.335	C	S	.	.	H	α-helix	trans	-63.3	-39.6	174.8	-74.8	-59.3	0	0	0	112.1	M131 N135 L212 H213 M219 A220	M131-F216 HydrophobicContact CB-CE1 3.73Å; M131-F216 HydrophobicContact CB-CZ 4.26Å; M131-F216 HydrophobicContact CE-CZ 4.29Å; M131-F216 WeakPolarHBondContact O-CE1 3.27Å; M131-F216 WeakPolarHBondContact O-CZ 3.22Å; N135-F216 HydrophobicContact CB-CE1 4.4Å; N135-F216 HydrophobicContact CB-CE2 4.34Å; N135-F216 HydrophobicContact CB-CZ 3.78Å; L212-F216 HydrophobicContact CB-CD2 4.17Å; L212-F216 HydrophobicContact CB-CE2 3.87Å; L212-F216 VanDerWaalsContact O-CD2 3.27Å; L212-F216 WeakPolarHBondContact O-CD2 3.39Å; L212-F216 PolarHBondContact O-N 3.43Å; H213-F216 PolarHBondContact O-N 2.97Å; H213-F216 VanDerWaalsContact O-N 3.1Å; F216-M219 PolarHBondContact O-N 3.18Å; F216-A220 WeakPolarHBondContact O-CB 3.49Å; F216-A220 PolarHBondContact O-N 2.82Å
217	M	80.6	Confident	76.6	Confident	96 Å²	96	64.5 Å²	64.5	47%	0.473	34%	0.339	S	S	.	.	H	α-helix	trans	-66.4	-46.3	176.2	-68.6	-61.1	153.1	0	0	112	H213 M215 M219 A220 M221	H213-M217 VanDerWaalsContact NE2-CE 3.33Å; H213-M217 WeakPolarHBondContact NE2-CE 3.04Å; H213-M217 WeakPolarHBondContact O-CG 3.5Å; H213-M217 PolarHBondContact O-N 3.09Å; M215-M217 VanDerWaalsContact C-N 3.33Å; M217-M219 VanDerWaalsContact C-N 3.29Å; M217-M219 PolarHBondContact O-N 3.44Å; M217-A220 PolarHBondContact O-N 3.26Å; M217-M221 WeakPolarHBondContact O-CG 3.44Å; M217-M221 PolarHBondContact O-N 3.18Å; M217-M221 VanDerWaalsContact O-N 3.12Å
218	D	75.6	Confident	75	Confident	54 Å²	54	69.6 Å²	69.6	29%	0.289	36%	0.361	S	S	.	.	H	α-helix	trans	-56.3	-44.4	174.1	-86	-14.5	0	0	0	111.4	R90 D214 M215 L222	R90-D218 IonicContact CZ-OD2 3.74Å; R90-D218 IonicContact NH1-OD2 3.77Å; R90-D218 PolarHBondContact NH1-OD2 3.17Å; D214-D218 WeakPolarHBondContact O-CB 3.4Å; D214-D218 PolarHBondContact O-N 3.08Å; M215-D218 PolarHBondContact O-N 3.47Å; D218-L222 WeakPolarHBondContact O-CB 3.48Å; D218-L222 PolarHBondContact O-N 3.26Å
219	M	73.8	Confident	73.1	Confident	13 Å²	13	74.5 Å²	74.5	6%	0.064	38%	0.384	C	S	.	.	H	α-helix	trans	-73.5	-35.6	-177.9	-69.6	-55.9	95.5	0	0	113.1	R90 F127 V128 M215 F216 M217 M221 L222 V223	R90-M219 HydrophobicContact CG-CE 4.28Å; F127-M219 HydrophobicContact CD1-CG 4.17Å; F127-M219 HydrophobicContact CD1-SD 3.66Å; F127-M219 HydrophobicContact CE1-CG 3.97Å; F127-M219 HydrophobicContact CE1-SD 3.78Å; V128-M219 HydrophobicContact CG2-CB 3.87Å; V128-M219 HydrophobicContact CG2-CG 4.31Å; M215-M219 WeakPolarHBondContact O-CB 3.29Å; M215-M219 VanDerWaalsContact O-CG 3.24Å; M215-M219 WeakPolarHBondContact O-CG 2.99Å; M215-M219 PolarHBondContact O-N 3.29Å; F216-M219 PolarHBondContact O-N 3.18Å; M217-M219 VanDerWaalsContact C-N 3.29Å; M217-M219 PolarHBondContact O-N 3.44Å; M219-M221 VanDerWaalsContact C-N 3.34Å; M219-L222 HydrophobicContact CE-CB 4.45Å; M219-L222 HydrophobicContact CE-CD1 3.96Å; M219-L222 PolarHBondContact O-N 2.58Å; M219-V223 WeakPolarHBondContact O-CG2 3.27Å; M219-V223 PolarHBondContact O-N 3.47Å
220	A	74	Confident	71.5	Confident	58 Å²	58	74.2 Å²	74.2	48%	0.479	38%	0.383	S	S	.	.	H	α-helix	trans	-60.4	-46	173.6	0	0	0	0	0	111	F216 M217 L222 V223 E224	F216-A220 WeakPolarHBondContact O-CB 3.49Å; F216-A220 PolarHBondContact O-N 2.82Å; M217-A220 PolarHBondContact O-N 3.26Å; A220-L222 PolarHBondContact O-N 3.07Å; A220-V223 PolarHBondContact O-N 2.91Å; A220-E224 WeakPolarHBondContact O-CB 3.38Å; A220-E224 PolarHBondContact O-N 2.93Å
221	M	74.8	Confident	69.8	Low	111 Å²	111	73 Å²	73	55%	0.547	39%	0.388	S	S	.	.	H	α-helix	trans	-63.2	-41.1	175.7	-69.7	-174.1	-69.5	0	0	112.4	M217 M219 E224 S225	M217-M221 WeakPolarHBondContact O-CG 3.44Å; M217-M221 PolarHBondContact O-N 3.18Å; M217-M221 VanDerWaalsContact O-N 3.12Å; M219-M221 VanDerWaalsContact C-N 3.34Å; M221-E224 PolarHBondContact O-N 3.45Å; M221-S225 WeakPolarHBondContact O-CB 3.4Å; M221-S225 PolarHBondContact O-N 3.48Å; M221-S225 PolarHBondContact O-OG 3.04Å
222	L	71.1	Confident	68.6	Low	12 Å²	12	75.6 Å²	75.6	6%	0.063	39%	0.392	C	S	.	.	H	α-helix	trans	-68.8	-35.6	-179.2	-178.1	153.7	0	0	0	112.6	S124 D218 M219 A220 S225 Q226	S124-L222 VanDerWaalsContact CB-CD2 3.46Å; S124-L222 WeakPolarHBondContact OG-CD2 3.48Å; D218-L222 WeakPolarHBondContact O-CB 3.48Å; D218-L222 PolarHBondContact O-N 3.26Å; M219-L222 HydrophobicContact CE-CB 4.45Å; M219-L222 HydrophobicContact CE-CD1 3.96Å; M219-L222 PolarHBondContact O-N 2.58Å; A220-L222 PolarHBondContact O-N 3.07Å; L222-S225 PolarHBondContact O-OG 3.33Å; L222-Q226 VanDerWaalsContact O-CG 3.26Å; L222-Q226 WeakPolarHBondContact O-CG 3.23Å; L222-Q226 PolarHBondContact O-N 2.86Å
223	V	69.8	Low	67.3	Low	57 Å²	57	82 Å²	82	35%	0.345	43%	0.425	S	S	.	.	H	α-helix	trans	-72.6	-39.7	174.4	173.4	0	0	0	0	111.1	V128 M219 A220	V128-V223 HydrophobicContact CB-CG2 4.49Å; V128-V223 HydrophobicContact CG2-CG2 3.61Å; M219-V223 WeakPolarHBondContact O-CG2 3.27Å; M219-V223 PolarHBondContact O-N 3.47Å; A220-V223 PolarHBondContact O-N 2.91Å
224	E	70.7	Confident	65.8	Low	160 Å²	160	84.7 Å²	84.7	75%	0.748	44%	0.438	S	S	*	.	H	α-helix	trans	-64.1	-43.5	176.9	-174.2	174.5	-165.3	0	0	111.9	A220 M221 Q226 G227	A220-E224 WeakPolarHBondContact O-CB 3.38Å; A220-E224 PolarHBondContact O-N 2.93Å; M221-E224 PolarHBondContact O-N 3.45Å; E224-Q226 PolarHBondContact O-N 3.4Å; E224-G227 PolarHBondContact O-N 3.03Å
225	S	63.9	Low	65.1	Low	88 Å²	88	83.3 Å²	83.3	62%	0.615	43%	0.425	S	S	*	.	H	α-helix	trans	-69.6	-30.3	-178.6	70.3	0	0	0	0	113.8	M221 L222 G227	M221-S225 WeakPolarHBondContact O-CB 3.4Å; M221-S225 PolarHBondContact O-N 3.48Å; M221-S225 PolarHBondContact O-OG 3.04Å; L222-S225 PolarHBondContact O-OG 3.33Å; S225-G227 VanDerWaalsContact C-N 3.35Å
226	Q	59.1	Low	64	Low	37 Å²	37	85.2 Å²	85.2	17%	0.173	44%	0.436	C	S	.	.	H	α-helix	trans	-75.4	-22.3	180	-75.7	-177.7	41.2	0	0	113.7	H120 S121 L222 E224	H120-Q226 PolarHBondContact CE1-NE2 2.96Å; H120-Q226 PolarHBondContact ND1-NE2 3.36Å; S121-Q226 PolarHBondContact OG-OE1 2.66Å; L222-Q226 VanDerWaalsContact O-CG 3.26Å; L222-Q226 WeakPolarHBondContact O-CG 3.23Å; L222-Q226 PolarHBondContact O-N 2.86Å; E224-Q226 PolarHBondContact O-N 3.4Å
227	G	57	Low	63.4	Low	34 Å²	34	87 Å²	87	35%	0.351	45%	0.45	S	S	.	.			trans	63.7	159.6	179.4	0	0	0	0	0	114.5	E224 S225 M229	E224-G227 PolarHBondContact O-N 3.03Å; S225-G227 VanDerWaalsContact C-N 3.35Å; G227-M229 PolarHBondContact O-N 3.46Å
228	E	54.8	Low	62.4	Low	178 Å²	178	88.4 Å²	88.4	83%	0.832	46%	0.455	S	S	*	.	G	3₁₀ helix	trans	-68.5	-8.4	176.8	-75.4	-173	150	0	0	114	I230 D231	E228-I230 PolarHBondContact O-N 3.49Å; E228-D231 PolarHBondContact O-N 3.41Å
229	M	47.8	Very low	61.7	Low	112 Å²	112	89.9 Å²	89.9	55%	0.552	46%	0.46	S	S	*	.	G	3₁₀ helix	trans	-74.4	-20.4	-170.9	-81.3	-166.5	-69	0	0	115.3	G227 D231 R232 Y235	G227-M229 PolarHBondContact O-N 3.46Å; M229-D231 PolarHBondContact O-N 2.74Å; M229-R232 PolarHBondContact O-N 2.92Å; M229-Y235 HydrophobicContact SD-CE2 4.12Å
230	I	52.8	Low	61.1	Low	39 Å²	39	90.6 Å²	90.6	20%	0.2	47%	0.468	C	S	.	.	G	3₁₀ helix	trans	-67.3	-23.9	176.3	-75.5	178	0	0	0	112.1	E228 R232 N236	E228-I230 PolarHBondContact O-N 3.49Å; I230-R232 VanDerWaalsContact C-N 3.31Å; I230-R232 PolarHBondContact O-N 3.18Å; I230-N236 PolarHBondContact O-ND2 3.47Å
231	D	53.9	Low	60.3	Low	122 Å²	122	91.8 Å²	91.8	65%	0.652	47%	0.469	S	S	*	.	G	3₁₀ helix	trans	-81.8	-9.6	-176.3	-159.8	33.8	0	0	0	113.4	E228 M229 I233	E228-D231 PolarHBondContact O-N 3.41Å; M229-D231 PolarHBondContact O-N 2.74Å; D231-I233 PolarHBondContact O-N 3.46Å; D231-I233 VanDerWaalsContact O-N 3.14Å
232	R	56.6	Low	59.4	Low	162 Å²	162	90.7 Å²	90.7	61%	0.611	47%	0.466	S	S	*	.			trans	-80.6	100.8	171.3	-68.8	-169.1	-173.2	-159.9	4.3	108.9	M229 I230 E234 Y235 N236	M229-R232 PolarHBondContact O-N 2.92Å; I230-R232 VanDerWaalsContact C-N 3.31Å; I230-R232 PolarHBondContact O-N 3.18Å; R232-E234 PolarHBondContact O-N 2.99Å; R232-E234 VanDerWaalsContact O-N 3.1Å; R232-Y235 WeakPolarHBondContact O-CB 3.31Å; R232-Y235 PolarHBondContact O-N 3Å; R232-N236 PolarHBondContact O-N 3.47Å; R232-N236 VanDerWaalsContact O-N 3.08Å
233	I	55.9	Low	58.9	Low	137 Å²	137	94.6 Å²	94.6	70%	0.703	48%	0.48	S	S	*	.	H	α-helix	trans	-46.4	-39.5	164.7	-63.3	174.4	0	0	0	109.8	D231 Y235 N236 V237	D231-I233 PolarHBondContact O-N 3.46Å; D231-I233 VanDerWaalsContact O-N 3.14Å; I233-Y235 PolarHBondContact O-N 3.5Å; I233-N236 PolarHBondContact O-N 3.14Å; I233-V237 HydrophobicContact CG2-CG2 4.08Å; I233-V237 VanDerWaalsContact O-CB 3.3Å; I233-V237 WeakPolarHBondContact O-CB 3.43Å; I233-V237 WeakPolarHBondContact O-CG2 3.39Å; I233-V237 PolarHBondContact O-N 3.11Å
234	E	50.9	Low	58.5	Low	146 Å²	146	96.4 Å²	96.4	68%	0.682	49%	0.491	S	S	*	.	H	α-helix	trans	-56.9	-46.9	174.8	-173.1	173.8	-154.6	0	0	113.1	R232 V237 E238	R232-E234 PolarHBondContact O-N 2.99Å; R232-E234 VanDerWaalsContact O-N 3.1Å; E234-V237 PolarHBondContact O-N 2.77Å; E234-E238 WeakPolarHBondContact O-CB 3.41Å; E234-E238 PolarHBondContact O-N 3.28Å
235	Y	62	Low	57.9	Low	83 Å²	83	95.2 Å²	95.2	33%	0.325	49%	0.486	S	S	.	.	H	α-helix	trans	-65	-45.8	178.6	-176	-99.7	0	0	0	111.4	M229 R232 I233 V237 E238 H239	M229-Y235 HydrophobicContact SD-CE2 4.12Å; R232-Y235 WeakPolarHBondContact O-CB 3.31Å; R232-Y235 PolarHBondContact O-N 3Å; I233-Y235 PolarHBondContact O-N 3.5Å; Y235-V237 VanDerWaalsContact C-N 3.28Å; Y235-V237 PolarHBondContact O-N 2.84Å; Y235-E238 PolarHBondContact O-N 2.94Å; Y235-H239 AromaticContact CD1-CD2 3.86Å; Y235-H239 AromaticContact CD2-NE2 3.87Å; Y235-H239 AromaticContact CE1-CD2 3.59Å; Y235-H239 AromaticContact CE1-NE2 3.59Å; Y235-H239 AromaticContact CE2-CD2 3.88Å; Y235-H239 AromaticContact CE2-NE2 3.25Å; Y235-H239 VanDerWaalsContact CE2-NE2 3.25Å; Y235-H239 WeakPolarHBondContact CE2-NE2 3.5Å; Y235-H239 AromaticContact CZ-CD2 3.62Å; Y235-H239 AromaticContact CZ-NE2 3.09Å; Y235-H239 PolarHBondContact O-CD2 2.92Å; Y235-H239 PolarHBondContact O-N 3.02Å; Y235-H239 PolarHBondContact OH-NE2 3.49Å
236	N	60.7	Low	57.8	Low	46 Å²	46	98.9 Å²	98.9	25%	0.246	49%	0.486	C	S	.	.	H	α-helix	trans	-66.3	-30.5	178.4	-70.5	-25.1	0	0	0	112.9	I230 R232 I233	I230-N236 PolarHBondContact O-ND2 3.47Å; R232-N236 PolarHBondContact O-N 3.47Å; R232-N236 VanDerWaalsContact O-N 3.08Å; I233-N236 PolarHBondContact O-N 3.14Å
237	V	65.1	Low	58	Low	83 Å²	83	99.8 Å²	99.8	50%	0.503	50%	0.5	S	S	.	.	H	α-helix	trans	-76.7	-39.9	174.9	170.9	0	0	0	0	111.2	I233 E234 Y235 H239 A240 V241	I233-V237 HydrophobicContact CG2-CG2 4.08Å; I233-V237 VanDerWaalsContact O-CB 3.3Å; I233-V237 WeakPolarHBondContact O-CB 3.43Å; I233-V237 WeakPolarHBondContact O-CG2 3.39Å; I233-V237 PolarHBondContact O-N 3.11Å; E234-V237 PolarHBondContact O-N 2.77Å; Y235-V237 VanDerWaalsContact C-N 3.28Å; Y235-V237 PolarHBondContact O-N 2.84Å; V237-H239 PolarHBondContact O-N 3.34Å; V237-A240 WeakPolarHBondContact O-CA 3.48Å; V237-A240 WeakPolarHBondContact O-CB 3.34Å; V237-A240 PolarHBondContact O-N 3.43Å; V237-V241 PolarHBondContact O-N 2.97Å
238	E	61	Low	58.7	Low	125 Å²	125	102.3 Å²	102.3	58%	0.584	51%	0.508	S	S	*	.	H	α-helix	trans	-57.6	-47.7	176.7	-172.8	176.1	-168.5	0	0	111.2	E234 Y235 A240 V241	E234-E238 WeakPolarHBondContact O-CB 3.41Å; E234-E238 PolarHBondContact O-N 3.28Å; Y235-E238 PolarHBondContact O-N 2.94Å; E238-A240 PolarHBondContact O-N 3.35Å; E238-A240 VanDerWaalsContact O-N 3.16Å; E238-V241 WeakPolarHBondContact O-CB 3.35Å; E238-V241 PolarHBondContact O-N 3.15Å
239	H	59.3	Low	59.5	Low	85 Å²	85	96.4 Å²	96.4	39%	0.394	49%	0.487	S	S	.	.	H	α-helix	trans	-66.7	-15.3	175.3	-72.9	-69.4	0	0	0	114.1	Y235 V237	Y235-H239 AromaticContact CD1-CD2 3.86Å; Y235-H239 AromaticContact CD2-NE2 3.87Å; Y235-H239 AromaticContact CE1-CD2 3.59Å; Y235-H239 AromaticContact CE1-NE2 3.59Å; Y235-H239 AromaticContact CE2-CD2 3.88Å; Y235-H239 AromaticContact CE2-NE2 3.25Å; Y235-H239 VanDerWaalsContact CE2-NE2 3.25Å; Y235-H239 WeakPolarHBondContact CE2-NE2 3.5Å; Y235-H239 AromaticContact CZ-CD2 3.62Å; Y235-H239 AromaticContact CZ-NE2 3.09Å; Y235-H239 PolarHBondContact O-CD2 2.92Å; Y235-H239 PolarHBondContact O-N 3.02Å; Y235-H239 PolarHBondContact OH-NE2 3.49Å; V237-H239 PolarHBondContact O-N 3.34Å
240	A	61.4	Low	60.8	Low	28 Å²	28	95.4 Å²	95.4	23%	0.231	48%	0.484	C	S	.	.	H	α-helix	trans	-76	-29.4	172.7	0	0	0	0	0	112.8	V237 E238 D242 Y243	V237-A240 WeakPolarHBondContact O-CA 3.48Å; V237-A240 WeakPolarHBondContact O-CB 3.34Å; V237-A240 PolarHBondContact O-N 3.43Å; E238-A240 PolarHBondContact O-N 3.35Å; E238-A240 VanDerWaalsContact O-N 3.16Å; A240-D242 VanDerWaalsContact C-N 3.32Å; A240-D242 PolarHBondContact O-N 3.07Å; A240-Y243 PolarHBondContact O-N 3.33Å
241	V	58.2	Low	61.9	Low	82 Å²	82	97.7 Å²	97.7	50%	0.497	50%	0.499	S	S	.	.	H	α-helix	trans	-64.5	-37.9	-173.7	177.4	0	0	0	0	111.2	V237 E238 Y243 V244 E245	V237-V241 PolarHBondContact O-N 2.97Å; E238-V241 WeakPolarHBondContact O-CB 3.35Å; E238-V241 PolarHBondContact O-N 3.15Å; V241-Y243 PolarHBondContact O-N 3.03Å; V241-V244 PolarHBondContact O-N 2.9Å; V241-V244 VanDerWaalsContact O-N 3.08Å; V241-E245 PolarHBondContact O-N 3.06Å; V241-E245 VanDerWaalsContact O-N 3.09Å
242	D	55.8	Low	62.9	Low	88 Å²	88	98.6 Å²	98.6	47%	0.471	50%	0.497	S	S	.	.	H	α-helix	trans	-57.2	-32.6	178.3	-81.6	10.2	0	0	0	113.5	A240 R246	A240-D242 VanDerWaalsContact C-N 3.32Å; A240-D242 PolarHBondContact O-N 3.07Å; D242-R246 WeakPolarHBondContact O-CG 3.33Å; D242-R246 PolarHBondContact O-N 3.16Å
243	Y	59.2	Low	64	Low	95 Å²	95	95.5 Å²	95.5	37%	0.373	49%	0.489	S	S	.	.	H	α-helix	trans	-72.6	-38.6	178	-95.5	-87.5	0	0	0	112.7	S109 A240 V241 E245 R246 A247	S109-Y243 VanDerWaalsContact C-OH 3.32Å; S109-Y243 WeakPolarHBondContact CB-OH 3.33Å; S109-Y243 WeakPolarHBondContact O-CE2 3.44Å; S109-Y243 PolarHBondContact O-OH 3.15Å; A240-Y243 PolarHBondContact O-N 3.33Å; V241-Y243 PolarHBondContact O-N 3.03Å; Y243-E245 VanDerWaalsContact C-N 3.31Å; Y243-R246 PolarHBondContact O-N 3.26Å; Y243-A247 WeakPolarHBondContact O-CB 2.91Å; Y243-A247 PolarHBondContact O-N 2.78Å
244	V	62.1	Low	65	Low	95 Å²	95	91.8 Å²	91.8	58%	0.576	48%	0.478	S	S	*	.	H	α-helix	trans	-65.9	-39.8	175.6	178.7	0	0	0	0	109.7	V241 R246 A247 V248	V241-V244 PolarHBondContact O-N 2.9Å; V241-V244 VanDerWaalsContact O-N 3.08Å; V244-R246 PolarHBondContact O-N 2.9Å; V244-A247 PolarHBondContact O-N 2.75Å; V244-V248 HydrophobicContact CG1-CG2 4.27Å; V244-V248 WeakPolarHBondContact O-CB 3.48Å; V244-V248 VanDerWaalsContact O-CG2 3.23Å; V244-V248 WeakPolarHBondContact O-CG2 3.35Å; V244-V248 PolarHBondContact O-N 2.8Å
245	E	57.8	Low	66.3	Low	134 Å²	134	89.1 Å²	89.1	63%	0.626	47%	0.471	S	S	*	.	H	α-helix	trans	-64.8	-40.2	179.3	-165.1	170.1	-167.7	0	0	112.5	V241 Y243 V248 S249	V241-E245 PolarHBondContact O-N 3.06Å; V241-E245 VanDerWaalsContact O-N 3.09Å; Y243-E245 VanDerWaalsContact C-N 3.31Å; E245-V248 PolarHBondContact O-N 3Å; E245-S249 PolarHBondContact O-N 3.3Å
246	R	61.1	Low	67.1	Low	166 Å²	166	91.3 Å²	91.3	63%	0.626	48%	0.483	S	S	*	.	H	α-helix	trans	-65.9	-43.3	172.6	-71.8	-177.5	-175.4	-171.7	4.1	112.5	D242 Y243 V244 V248 S249 D250	D242-R246 WeakPolarHBondContact O-CG 3.33Å; D242-R246 PolarHBondContact O-N 3.16Å; Y243-R246 PolarHBondContact O-N 3.26Å; V244-R246 PolarHBondContact O-N 2.9Å; R246-V248 VanDerWaalsContact C-N 3.33Å; R246-V248 PolarHBondContact O-N 3.01Å; R246-S249 WeakPolarHBondContact O-CB 3.49Å; R246-S249 PolarHBondContact O-N 3.44Å; R246-S249 VanDerWaalsContact O-N 3.11Å; R246-D250 PolarHBondContact O-N 2.81Å
247	A	65.2	Low	68.1	Low	56 Å²	56	96.9 Å²	96.9	46%	0.463	50%	0.501	S	S	.	.	H	α-helix	trans	-62.5	-39.4	176.7	0	0	0	0	0	112.2	Y243 V244 S249 D250 T251	Y243-A247 WeakPolarHBondContact O-CB 2.91Å; Y243-A247 PolarHBondContact O-N 2.78Å; V244-A247 PolarHBondContact O-N 2.75Å; A247-S249 VanDerWaalsContact C-N 3.33Å; A247-D250 PolarHBondContact O-N 2.88Å; A247-T251 WeakPolarHBondContact O-CB 3.17Å; A247-T251 VanDerWaalsContact O-CG2 3.31Å; A247-T251 WeakPolarHBondContact O-CG2 3.42Å; A247-T251 PolarHBondContact O-N 2.94Å; A247-T251 PolarHBondContact O-OG1 3.25Å
248	V	69.9	Low	68.6	Low	86 Å²	86	98 Å²	98	52%	0.521	50%	0.501	S	S	.	.	H	α-helix	trans	-64.1	-38.6	172.8	170.9	0	0	0	0	111.1	V244 E245 R246 T251 K252	V244-V248 HydrophobicContact CG1-CG2 4.27Å; V244-V248 WeakPolarHBondContact O-CB 3.48Å; V244-V248 VanDerWaalsContact O-CG2 3.23Å; V244-V248 WeakPolarHBondContact O-CG2 3.35Å; V244-V248 PolarHBondContact O-N 2.8Å; E245-V248 PolarHBondContact O-N 3Å; R246-V248 VanDerWaalsContact C-N 3.33Å; R246-V248 PolarHBondContact O-N 3.01Å; V248-T251 WeakPolarHBondContact CA-OG1 3.1Å; V248-T251 PolarHBondContact O-OG1 3.2Å; V248-K252 WeakPolarHBondContact O-CB 3.39Å; V248-K252 PolarHBondContact O-N 3Å; V248-K252 VanDerWaalsContact O-N 3.12Å
249	S	72.3	Confident	69.4	Low	55 Å²	55	94 Å²	94	39%	0.385	49%	0.487	S	S	.	.	H	α-helix	trans	-65	-44	175.9	-170.3	0	0	0	0	112.3	E245 R246 A247 K252 K253	E245-S249 PolarHBondContact O-N 3.3Å; R246-S249 WeakPolarHBondContact O-CB 3.49Å; R246-S249 PolarHBondContact O-N 3.44Å; R246-S249 VanDerWaalsContact O-N 3.11Å; A247-S249 VanDerWaalsContact C-N 3.33Å; S249-K252 WeakPolarHBondContact O-CB 3.41Å; S249-K252 PolarHBondContact O-N 2.85Å; S249-K253 WeakPolarHBondContact O-CG 3.46Å; S249-K253 PolarHBondContact O-N 3.23Å
250	D	75.4	Confident	70.4	Confident	91 Å²	91	96.1 Å²	96.1	49%	0.487	50%	0.495	S	S	.	.	H	α-helix	trans	-73.6	-37	-177.5	-73.3	-17.4	0	0	0	112.8	R246 A247 K252 K253 A254	R246-D250 PolarHBondContact O-N 2.81Å; A247-D250 PolarHBondContact O-N 2.88Å; D250-K252 VanDerWaalsContact C-N 3.31Å; D250-K252 PolarHBondContact O-N 2.83Å; D250-K253 PolarHBondContact O-N 3.49Å; D250-K253 IonicContact OD1-NZ 2.83Å; D250-K253 PolarHBondContact OD1-NZ 3.12Å; D250-A254 WeakPolarHBondContact O-CB 3.43Å; D250-A254 PolarHBondContact O-N 3.33Å
251	T	76.1	Confident	71.3	Confident	86 Å²	86	97.5 Å²	97.5	53%	0.528	51%	0.507	S	S	.	.	H	α-helix	trans	-61.1	-40.4	169.4	51.3	0	0	0	0	111.5	A247 V248 K253 A254 V255	A247-T251 WeakPolarHBondContact O-CB 3.17Å; A247-T251 VanDerWaalsContact O-CG2 3.31Å; A247-T251 WeakPolarHBondContact O-CG2 3.42Å; A247-T251 PolarHBondContact O-N 2.94Å; A247-T251 PolarHBondContact O-OG1 3.25Å; V248-T251 WeakPolarHBondContact CA-OG1 3.1Å; V248-T251 PolarHBondContact O-OG1 3.2Å; T251-K253 VanDerWaalsContact C-N 3.35Å; T251-K253 PolarHBondContact O-N 3.23Å; T251-A254 PolarHBondContact O-N 3.44Å; T251-V255 WeakPolarHBondContact O-CG2 3.47Å; T251-V255 PolarHBondContact O-N 2.98Å
252	K	74.2	Confident	72.3	Confident	141 Å²	141	99.9 Å²	99.9	61%	0.613	51%	0.507	S	S	*	.	H	α-helix	trans	-64.1	-36.8	175	-162.8	172.2	-171.1	172	0	112.5	V248 S249 D250 K256	V248-K252 WeakPolarHBondContact O-CB 3.39Å; V248-K252 PolarHBondContact O-N 3Å; V248-K252 VanDerWaalsContact O-N 3.12Å; S249-K252 WeakPolarHBondContact O-CB 3.41Å; S249-K252 PolarHBondContact O-N 2.85Å; D250-K252 VanDerWaalsContact C-N 3.31Å; D250-K252 PolarHBondContact O-N 2.83Å; K252-K256 WeakPolarHBondContact O-CG 3.44Å; K252-K256 PolarHBondContact O-N 3.2Å
253	K	80.2	Confident	73.5	Confident	98 Å²	98	104.6 Å²	104.6	43%	0.426	52%	0.518	S	S	.	.	H	α-helix	trans	-68.5	-42.3	172.5	-68.9	172.6	-159.8	153.1	0	111.4	S249 D250 T251 V255 K256 Y257	S249-K253 WeakPolarHBondContact O-CG 3.46Å; S249-K253 PolarHBondContact O-N 3.23Å; D250-K253 PolarHBondContact O-N 3.49Å; D250-K253 IonicContact OD1-NZ 2.83Å; D250-K253 PolarHBondContact OD1-NZ 3.12Å; T251-K253 VanDerWaalsContact C-N 3.35Å; T251-K253 PolarHBondContact O-N 3.23Å; K253-V255 PolarHBondContact O-N 3.4Å; K253-K256 WeakPolarHBondContact O-CB 3.47Å; K253-K256 PolarHBondContact O-N 2.86Å; K253-K256 VanDerWaalsContact O-N 3.15Å; K253-Y257 HydrophobicContact CB-CD2 4.45Å; K253-Y257 HydrophobicContact CB-CE2 4.25Å; K253-Y257 WeakPolarHBondContact O-CD2 3.47Å; K253-Y257 PolarHBondContact O-N 3.4Å
254	A	76.4	Confident	74.6	Confident	58 Å²	58	107.2 Å²	107.2	48%	0.479	53%	0.531	S	S	.	.	H	α-helix	trans	-60	-45.4	178.6	0	0	0	0	0	111.9	D250 T251 K256 Y257 Q258	D250-A254 WeakPolarHBondContact O-CB 3.43Å; D250-A254 PolarHBondContact O-N 3.33Å; T251-A254 PolarHBondContact O-N 3.44Å; A254-K256 VanDerWaalsContact C-N 3.32Å; A254-K256 PolarHBondContact O-N 3.4Å; A254-Y257 PolarHBondContact O-N 3.41Å; A254-Y257 VanDerWaalsContact O-N 3.17Å; A254-Q258 WeakPolarHBondContact O-CB 3.4Å; A254-Q258 PolarHBondContact O-N 2.95Å
255	V	79.2	Confident	75.7	Confident	90 Å²	90	109.6 Å²	109.6	55%	0.545	53%	0.534	S	S	.	.	H	α-helix	trans	-59.9	-42.2	174	173.4	0	0	0	0	111.3	T251 K253 Q258 S259	T251-V255 WeakPolarHBondContact O-CG2 3.47Å; T251-V255 PolarHBondContact O-N 2.98Å; K253-V255 PolarHBondContact O-N 3.4Å; V255-Q258 PolarHBondContact O-N 3.49Å; V255-S259 WeakPolarHBondContact O-CB 3.15Å; V255-S259 PolarHBondContact O-N 3.1Å; V255-S259 PolarHBondContact O-OG 3.48Å
256	K	79.6	Confident	77	Confident	129 Å²	129	107.9 Å²	107.9	56%	0.561	53%	0.528	S	S	*	.	H	α-helix	trans	-61.4	-44.6	174.8	-77.1	-179.5	179.6	-179.4	0	111.6	K252 K253 A254 S259 K260	K252-K256 WeakPolarHBondContact O-CG 3.44Å; K252-K256 PolarHBondContact O-N 3.2Å; K253-K256 WeakPolarHBondContact O-CB 3.47Å; K253-K256 PolarHBondContact O-N 2.86Å; K253-K256 VanDerWaalsContact O-N 3.15Å; A254-K256 VanDerWaalsContact C-N 3.32Å; A254-K256 PolarHBondContact O-N 3.4Å; K256-S259 PolarHBondContact O-N 3.15Å; K256-S259 PolarHBondContact O-OG 3.44Å; K256-K260 WeakPolarHBondContact O-CG 3.45Å; K256-K260 PolarHBondContact O-N 3.17Å; K256-K260 VanDerWaalsContact O-N 3.1Å
257	Y	80.8	Confident	78.1	Confident	164 Å²	164	105.9 Å²	105.9	64%	0.643	53%	0.527	S	S	*	.	H	α-helix	trans	-63.9	-44.3	176.9	-73.6	-56.3	0	0	0	112.3	K253 A254 S259 K260 A261	K253-Y257 HydrophobicContact CB-CD2 4.45Å; K253-Y257 HydrophobicContact CB-CE2 4.25Å; K253-Y257 WeakPolarHBondContact O-CD2 3.47Å; K253-Y257 PolarHBondContact O-N 3.4Å; A254-Y257 PolarHBondContact O-N 3.41Å; A254-Y257 VanDerWaalsContact O-N 3.17Å; Y257-S259 VanDerWaalsContact C-N 3.33Å; Y257-S259 PolarHBondContact O-N 3.24Å; Y257-K260 PolarHBondContact O-N 2.76Å; Y257-A261 WeakPolarHBondContact O-CB 3.42Å; Y257-A261 PolarHBondContact O-N 3.35Å
258	Q	75.7	Confident	79.2	Confident	105 Å²	105	108.3 Å²	108.3	49%	0.491	53%	0.531	S	S	.	.	H	α-helix	trans	-59.3	-43.4	176.5	-163.9	-162.7	41.4	0	0	111.6	A254 V255 K260 A261 R262	A254-Q258 WeakPolarHBondContact O-CB 3.4Å; A254-Q258 PolarHBondContact O-N 2.95Å; V255-Q258 PolarHBondContact O-N 3.49Å; Q258-K260 PolarHBondContact O-N 2.88Å; Q258-A261 PolarHBondContact O-N 2.98Å; Q258-R262 PolarHBondContact O-N 3.34Å; Q258-R262 VanDerWaalsContact OE1-NH1 3.09Å
259	S	77.6	Confident	80.1	Confident	41 Å²	41	108.6 Å²	108.6	29%	0.287	53%	0.529	S	S	.	.	H	α-helix	trans	-64.3	-39.4	177.6	74.9	0	0	0	0	112.9	V255 K256 Y257 R263	V255-S259 WeakPolarHBondContact O-CB 3.15Å; V255-S259 PolarHBondContact O-N 3.1Å; V255-S259 PolarHBondContact O-OG 3.48Å; K256-S259 PolarHBondContact O-N 3.15Å; K256-S259 PolarHBondContact O-OG 3.44Å; Y257-S259 VanDerWaalsContact C-N 3.33Å; Y257-S259 PolarHBondContact O-N 3.24Å; S259-R263 WeakPolarHBondContact O-CG 3.4Å; S259-R263 PolarHBondContact O-N 2.88Å
260	K	81.1	Confident	81	Confident	130 Å²	130	109.9 Å²	109.9	57%	0.565	53%	0.531	S	S	*	.	H	α-helix	trans	-68.6	-39.8	175.5	-72.9	-179.3	179	-177.5	0	111.6	K256 Y257 Q258 R263 K264	K256-K260 WeakPolarHBondContact O-CG 3.45Å; K256-K260 PolarHBondContact O-N 3.17Å; K256-K260 VanDerWaalsContact O-N 3.1Å; Y257-K260 PolarHBondContact O-N 2.76Å; Q258-K260 PolarHBondContact O-N 2.88Å; K260-R263 PolarHBondContact O-N 3.48Å; K260-K264 WeakPolarHBondContact O-CG 3.48Å; K260-K264 PolarHBondContact O-N 3.1Å
261	A	78.7	Confident	81.6	Confident	58 Å²	58	109.1 Å²	109.1	48%	0.479	53%	0.532	S	S	.	.	H	α-helix	trans	-62.9	-43.5	176.5	0	0	0	0	0	111.7	Y257 Q258 R263 K264 K265	Y257-A261 WeakPolarHBondContact O-CB 3.42Å; Y257-A261 PolarHBondContact O-N 3.35Å; Q258-A261 PolarHBondContact O-N 2.98Å; A261-R263 PolarHBondContact O-N 3.22Å; A261-K264 PolarHBondContact O-N 3.29Å; A261-K265 WeakPolarHBondContact O-CB 3.46Å; A261-K265 PolarHBondContact O-N 3.48Å
262	R	80.3	Confident	82.3	Confident	131 Å²	131	108.8 Å²	108.8	49%	0.494	53%	0.532	S	S	.	.	H	α-helix	trans	-57.5	-45.6	173.7	-78.7	-168.6	-75	-106.9	-4.6	112.4	Q258 K264 K265 I266	Q258-R262 PolarHBondContact O-N 3.34Å; Q258-R262 VanDerWaalsContact OE1-NH1 3.09Å; R262-K264 PolarHBondContact O-N 3.43Å; R262-K265 PolarHBondContact O-N 3.05Å; R262-I266 WeakPolarHBondContact O-CG1 3.49Å; R262-I266 PolarHBondContact O-N 3.29Å
263	R	80.2	Confident	83.1	Confident	187 Å²	187	106.1 Å²	106.1	71%	0.706	53%	0.527	S	S	*	.	H	α-helix	trans	-62.3	-42.2	177.3	-69.9	179.4	-174.1	-173.3	1.5	112.5	S259 K260 A261 I266 M267	S259-R263 WeakPolarHBondContact O-CG 3.4Å; S259-R263 PolarHBondContact O-N 2.88Å; K260-R263 PolarHBondContact O-N 3.48Å; A261-R263 PolarHBondContact O-N 3.22Å; R263-I266 PolarHBondContact O-N 2.89Å; R263-M267 WeakPolarHBondContact O-CG 3.47Å; R263-M267 PolarHBondContact O-N 3.26Å; R263-M267 VanDerWaalsContact O-N 3.1Å
264	K	83.3	Confident	83.6	Confident	150 Å²	150	106 Å²	106	65%	0.652	53%	0.53	S	S	*	.	H	α-helix	trans	-64.9	-40.5	175.6	-71.3	-176.3	178.2	-171.8	0	112.1	K260 A261 R262 I266 M267 I268	K260-K264 WeakPolarHBondContact O-CG 3.48Å; K260-K264 PolarHBondContact O-N 3.1Å; A261-K264 PolarHBondContact O-N 3.29Å; R262-K264 PolarHBondContact O-N 3.43Å; K264-I266 PolarHBondContact O-N 3.48Å; K264-M267 PolarHBondContact O-N 3.04Å; K264-I268 WeakPolarHBondContact O-CG1 3.31Å; K264-I268 PolarHBondContact O-N 3.45Å
265	K	84.1	Confident	84.2	Confident	146 Å²	146	108.3 Å²	108.3	64%	0.635	53%	0.534	S	S	*	.	H	α-helix	trans	-60.6	-43.9	176.3	-168	-179.7	-179.4	-178.5	0	111.6	A261 R262 I268 I269	A261-K265 WeakPolarHBondContact O-CB 3.46Å; A261-K265 PolarHBondContact O-N 3.48Å; R262-K265 PolarHBondContact O-N 3.05Å; K265-I268 PolarHBondContact O-N 3.23Å; K265-I269 HydrophobicContact CG-CD1 4.27Å; K265-I269 VanDerWaalsContact O-CG1 3.31Å; K265-I269 WeakPolarHBondContact O-CG1 3.37Å; K265-I269 PolarHBondContact O-N 3.43Å
266	I	86.2	Confident	84.7	Confident	98 Å²	98	105.9 Å²	105.9	50%	0.503	53%	0.527	S	S	.	.	H	α-helix	trans	-62.8	-44.5	176.4	-67.2	168.3	0	0	0	111	R262 R263 K264 I268 I269 I270	R262-I266 WeakPolarHBondContact O-CG1 3.49Å; R262-I266 PolarHBondContact O-N 3.29Å; R263-I266 PolarHBondContact O-N 2.89Å; K264-I266 PolarHBondContact O-N 3.48Å; I266-I268 VanDerWaalsContact C-N 3.34Å; I266-I268 PolarHBondContact O-N 3.02Å; I266-I269 PolarHBondContact O-N 3.36Å; I266-I270 HydrophobicContact CG2-CD1 3.9Å; I266-I270 HydrophobicContact CG2-CG1 4.5Å; I266-I270 WeakPolarHBondContact O-CG1 3.34Å; I266-I270 PolarHBondContact O-N 3.34Å
267	M	84.1	Confident	85.2	Confident	124 Å²	124	104.9 Å²	104.9	61%	0.611	53%	0.527	S	S	*	.	H	α-helix	trans	-61.7	-40.5	177.4	-74.1	-67.8	169.4	0	0	112.5	R263 K264 I270 C271	R263-M267 WeakPolarHBondContact O-CG 3.47Å; R263-M267 PolarHBondContact O-N 3.26Å; R263-M267 VanDerWaalsContact O-N 3.1Å; K264-M267 PolarHBondContact O-N 3.04Å; M267-I270 PolarHBondContact O-N 3.01Å; M267-C271 PolarHBondContact O-N 3.39Å; M267-C271 PolarHBondContact O-SG 2.99Å; M267-C271 VanDerWaalsContact O-SG 3.34Å
268	I	88.2	Confident	85.6	Confident	107 Å²	107	100.7 Å²	100.7	55%	0.549	52%	0.518	S	S	.	.	H	α-helix	trans	-63.1	-44.2	175.4	-68.8	167.5	0	0	0	110.8	K264 K265 I266 I270 C271 C272	K264-I268 WeakPolarHBondContact O-CG1 3.31Å; K264-I268 PolarHBondContact O-N 3.45Å; K265-I268 PolarHBondContact O-N 3.23Å; I266-I268 VanDerWaalsContact C-N 3.34Å; I266-I268 PolarHBondContact O-N 3.02Å; I268-I270 VanDerWaalsContact C-N 3.35Å; I268-I270 PolarHBondContact O-N 3.25Å; I268-C271 PolarHBondContact O-N 3.27Å; I268-C272 PolarHBondContact O-N 3.25Å; I268-C272 PolarHBondContact O-SG 3.04Å
269	I	89.5	Confident	86.1	Confident	92 Å²	92	100.5 Å²	100.5	47%	0.472	52%	0.519	S	S	.	.	H	α-helix	trans	-59.4	-46	177.5	-69.2	165.6	0	0	0	110.7	K265 I266 C271 C272 V273	K265-I269 HydrophobicContact CG-CD1 4.27Å; K265-I269 VanDerWaalsContact O-CG1 3.31Å; K265-I269 WeakPolarHBondContact O-CG1 3.37Å; K265-I269 PolarHBondContact O-N 3.43Å; I266-I269 PolarHBondContact O-N 3.36Å; I269-C271 PolarHBondContact O-N 2.97Å; I269-C272 PolarHBondContact O-N 3.02Å; I269-V273 HydrophobicContact CG2-CG2 4.46Å; I269-V273 WeakPolarHBondContact O-CG2 3.36Å; I269-V273 PolarHBondContact O-N 3.44Å
270	I	90.3	Very high	86.4	Confident	82 Å²	82	101.6 Å²	101.6	42%	0.421	53%	0.531	S	S	.	.	H	α-helix	trans	-60.2	-46.1	177.9	-67	167.8	0	0	0	110.8	I266 M267 I268 C272 V273 I274	I266-I270 HydrophobicContact CG2-CD1 3.9Å; I266-I270 HydrophobicContact CG2-CG1 4.5Å; I266-I270 WeakPolarHBondContact O-CG1 3.34Å; I266-I270 PolarHBondContact O-N 3.34Å; M267-I270 PolarHBondContact O-N 3.01Å; I268-I270 VanDerWaalsContact C-N 3.35Å; I268-I270 PolarHBondContact O-N 3.25Å; I270-C272 VanDerWaalsContact C-N 3.34Å; I270-C272 PolarHBondContact O-N 3.5Å; I270-V273 PolarHBondContact O-N 3.42Å; I270-I274 HydrophobicContact CG2-CD1 3.88Å; I270-I274 WeakPolarHBondContact O-CG1 3.48Å; I270-I274 PolarHBondContact O-N 3.27Å
271	C	88.6	Confident	86.4	Confident	75 Å²	75	98.9 Å²	98.9	51%	0.507	53%	0.529	S	S	.	.	H	α-helix	trans	-59.9	-42.2	176.6	-70.8	0	0	0	0	112.5	M267 I268 I269 I274 L275	M267-C271 PolarHBondContact O-N 3.39Å; M267-C271 PolarHBondContact O-SG 2.99Å; M267-C271 VanDerWaalsContact O-SG 3.34Å; I268-C271 PolarHBondContact O-N 3.27Å; I269-C271 PolarHBondContact O-N 2.97Å; C271-I274 PolarHBondContact O-N 3.47Å; C271-L275 WeakPolarHBondContact O-CB 3.34Å; C271-L275 PolarHBondContact O-N 2.97Å
272	C	89.3	Confident	86.5	Confident	79 Å²	79	99.7 Å²	99.7	53%	0.534	53%	0.528	S	S	.	.	H	α-helix	trans	-64.7	-39.9	177.1	-69.9	0	0	0	0	112.4	I268 I269 I270 L275 G276	I268-C272 PolarHBondContact O-N 3.25Å; I268-C272 PolarHBondContact O-SG 3.04Å; I269-C272 PolarHBondContact O-N 3.02Å; I270-C272 VanDerWaalsContact C-N 3.34Å; I270-C272 PolarHBondContact O-N 3.5Å; C272-L275 PolarHBondContact O-N 3.47Å; C272-G276 PolarHBondContact O-N 2.92Å
273	V	91.3	Very high	86.4	Confident	84 Å²	84	96.9 Å²	96.9	51%	0.509	53%	0.525	S	S	.	.	H	α-helix	trans	-63.6	-45.7	176.5	171.6	0	0	0	0	110.9	I269 I270 L275 G276 I277	I269-V273 HydrophobicContact CG2-CG2 4.46Å; I269-V273 WeakPolarHBondContact O-CG2 3.36Å; I269-V273 PolarHBondContact O-N 3.44Å; I270-V273 PolarHBondContact O-N 3.42Å; V273-L275 PolarHBondContact O-N 3.32Å; V273-G276 PolarHBondContact O-N 2.95Å; V273-I277 HydrophobicContact CG1-CD1 4.04Å; V273-I277 WeakPolarHBondContact O-CG1 3.38Å; V273-I277 PolarHBondContact O-N 3.01Å
274	I	91	Very high	85.9	Confident	97 Å²	97	89.8 Å²	89.8	50%	0.497	51%	0.51	S	S	.	.	H	α-helix	trans	-61.7	-46.2	178.1	-66	167.8	0	0	0	110.7	I270 C271 G276 I277 V278	I270-I274 HydrophobicContact CG2-CD1 3.88Å; I270-I274 WeakPolarHBondContact O-CG1 3.48Å; I270-I274 PolarHBondContact O-N 3.27Å; C271-I274 PolarHBondContact O-N 3.47Å; I274-G276 VanDerWaalsContact C-N 3.32Å; I274-G276 PolarHBondContact O-N 3.47Å; I274-I277 PolarHBondContact O-N 3.47Å; I274-V278 WeakPolarHBondContact O-CG2 3.44Å; I274-V278 PolarHBondContact O-N 3.28Å
275	L	89.8	Confident	85	Confident	106 Å²	106	85.3 Å²	85.3	56%	0.555	51%	0.506	S	S	*	.	H	α-helix	trans	-58.6	-43.2	175.6	-86.5	162.8	0	0	0	112	C271 C272 V273 I277 V278 I279	C271-L275 WeakPolarHBondContact O-CB 3.34Å; C271-L275 PolarHBondContact O-N 2.97Å; C272-L275 PolarHBondContact O-N 3.47Å; V273-L275 PolarHBondContact O-N 3.32Å; L275-I277 PolarHBondContact O-N 3.33Å; L275-V278 PolarHBondContact O-N 3.43Å; L275-I279 VanDerWaalsContact O-CG1 3.28Å; L275-I279 WeakPolarHBondContact O-CG1 3.33Å; L275-I279 PolarHBondContact O-N 3.23Å
276	G	89.3	Confident	84.2	Confident	39 Å²	39	84.5 Å²	84.5	40%	0.402	51%	0.508	S	S	.	.	H	α-helix	trans	-59.7	-42.9	176	0	0	0	0	0	112.8	C272 V273 I274 I279 A280	C272-G276 PolarHBondContact O-N 2.92Å; V273-G276 PolarHBondContact O-N 2.95Å; I274-G276 VanDerWaalsContact C-N 3.32Å; I274-G276 PolarHBondContact O-N 3.47Å; G276-I279 PolarHBondContact O-N 3.42Å; G276-A280 WeakPolarHBondContact O-CB 3.39Å; G276-A280 PolarHBondContact O-N 2.94Å
277	I	89.4	Confident	82.7	Confident	107 Å²	107	88.3 Å²	88.3	55%	0.549	52%	0.521	S	S	.	.	H	α-helix	trans	-64.2	-45.3	176.8	-66.3	166.3	0	0	0	110.9	V273 I274 L275 I279 A280 S281	V273-I277 HydrophobicContact CG1-CD1 4.04Å; V273-I277 WeakPolarHBondContact O-CG1 3.38Å; V273-I277 PolarHBondContact O-N 3.01Å; I274-I277 PolarHBondContact O-N 3.47Å; L275-I277 PolarHBondContact O-N 3.33Å; I277-I279 PolarHBondContact O-N 2.99Å; I277-A280 PolarHBondContact O-N 2.98Å; I277-S281 WeakPolarHBondContact O-CB 3.47Å; I277-S281 PolarHBondContact O-N 3.03Å; I277-S281 PolarHBondContact O-OG 2.9Å; I277-S281 VanDerWaalsContact O-OG 3.13Å
278	V	88.9	Confident	81.2	Confident	76 Å²	76	89 Å²	89	46%	0.461	55%	0.546	S	S	.	.	H	α-helix	trans	-59.4	-48	178.5	172	0	0	0	0	110.5	I274 L275 A280 S281 T282	I274-V278 WeakPolarHBondContact O-CG2 3.44Å; I274-V278 PolarHBondContact O-N 3.28Å; L275-V278 PolarHBondContact O-N 3.43Å; V278-A280 PolarHBondContact O-N 3.48Å; V278-S281 WeakPolarHBondContact CA-OG 3.49Å; V278-S281 PolarHBondContact O-N 3.42Å; V278-S281 PolarHBondContact O-OG 3.29Å; V278-T282 WeakPolarHBondContact O-CG2 3.28Å; V278-T282 PolarHBondContact O-N 3.36Å; V278-T282 PolarHBondContact O-OG1 2.83Å
279	I	86.9	Confident	80.9	Confident	101 Å²	101	88.1 Å²	88.1	52%	0.518	55%	0.546	S	S	.	.	H	α-helix	trans	-63.3	-42.8	178.6	-65.6	165.7	0	0	0	111.2	L275 G276 I277 S281 T282 V283	L275-I279 VanDerWaalsContact O-CG1 3.28Å; L275-I279 WeakPolarHBondContact O-CG1 3.33Å; L275-I279 PolarHBondContact O-N 3.23Å; G276-I279 PolarHBondContact O-N 3.42Å; I277-I279 PolarHBondContact O-N 2.99Å; I279-S281 VanDerWaalsContact C-N 3.32Å; I279-S281 PolarHBondContact O-N 2.75Å; I279-T282 PolarHBondContact O-N 3.13Å; I279-T282 PolarHBondContact O-OG1 3.46Å; I279-V283 HydrophobicContact CG2-CG2 4.4Å; I279-V283 WeakPolarHBondContact O-CB 3.3Å; I279-V283 VanDerWaalsContact O-CG2 3.3Å; I279-V283 WeakPolarHBondContact O-CG2 3.49Å; I279-V283 PolarHBondContact O-N 3.29Å
280	A	83.8	Confident	80.4	Confident	64 Å²	64	87.8 Å²	87.8	53%	0.529	55%	0.55	S	S	.	.	H	α-helix	trans	-63.2	-38.4	177.6	0	0	0	0	0	112.1	G276 I277 V278 G284	G276-A280 WeakPolarHBondContact O-CB 3.39Å; G276-A280 PolarHBondContact O-N 2.94Å; I277-A280 PolarHBondContact O-N 2.98Å; V278-A280 PolarHBondContact O-N 3.48Å; A280-G284 PolarHBondContact O-N 3Å
281	S	81.6	Confident	79.9	Confident	74 Å²	74	88.2 Å²	88.2	52%	0.517	56%	0.557	S	S	.	*	H	α-helix	trans	-71.2	-35.7	178.4	62.1	0	0	0	0	113.5	I277 V278 I279 G285	I277-S281 WeakPolarHBondContact O-CB 3.47Å; I277-S281 PolarHBondContact O-N 3.03Å; I277-S281 PolarHBondContact O-OG 2.9Å; I277-S281 VanDerWaalsContact O-OG 3.13Å; V278-S281 WeakPolarHBondContact CA-OG 3.49Å; V278-S281 PolarHBondContact O-N 3.42Å; V278-S281 PolarHBondContact O-OG 3.29Å; I279-S281 VanDerWaalsContact C-N 3.32Å; I279-S281 PolarHBondContact O-N 2.75Å; S281-G285 PolarHBondContact O-N 3.16Å
282	T	81	Confident	79.3	Confident	75 Å²	75	88.9 Å²	88.9	46%	0.46	56%	0.56	S	S	.	*	H	α-helix	trans	-72.6	-39.9	175.6	54.1	0	0	0	0	111.8	V278 I279 I286	V278-T282 WeakPolarHBondContact O-CG2 3.28Å; V278-T282 PolarHBondContact O-N 3.36Å; V278-T282 PolarHBondContact O-OG1 2.83Å; I279-T282 PolarHBondContact O-N 3.13Å; I279-T282 PolarHBondContact O-OG1 3.46Å; T282-I286 WeakPolarHBondContact O-CB 3.22Å; T282-I286 VanDerWaalsContact O-CD1 3.26Å; T282-I286 WeakPolarHBondContact O-CD1 3.48Å; T282-I286 WeakPolarHBondContact O-CG1 3.15Å; T282-I286 PolarHBondContact O-N 2.98Å; T282-I286 VanDerWaalsContact O-N 3.16Å
283	V	78	Confident	78.7	Confident	71 Å²	71	89.6 Å²	89.6	43%	0.43	56%	0.561	S	S	.	*	H	α-helix	trans	-67.6	-45.6	174.2	176	0	0	0	0	110.4	I279 G285 I286 F287	I279-V283 HydrophobicContact CG2-CG2 4.4Å; I279-V283 WeakPolarHBondContact O-CB 3.3Å; I279-V283 VanDerWaalsContact O-CG2 3.3Å; I279-V283 WeakPolarHBondContact O-CG2 3.49Å; I279-V283 PolarHBondContact O-N 3.29Å; V283-G285 VanDerWaalsContact C-N 3.31Å; V283-G285 PolarHBondContact O-N 3.03Å; V283-I286 PolarHBondContact O-N 3.11Å; V283-I286 VanDerWaalsContact O-N 3.09Å; V283-F287 HydrophobicContact CG1-CD2 3.74Å; V283-F287 HydrophobicContact CG1-CE2 3.95Å; V283-F287 VanDerWaalsContact O-CD2 3.29Å; V283-F287 WeakPolarHBondContact O-CD2 3.26Å; V283-F287 PolarHBondContact O-N 3.09Å; V283-F287 VanDerWaalsContact O-N 3.11Å
284	G	69	Low	77.9	Confident	39 Å²	39	89.9 Å²	89.9	40%	0.402	57%	0.565	S	S	.	*	H	α-helix	trans	-61.3	-35.7	177.3	0	0	0	0	0	113.7	A280 A288	A280-G284 PolarHBondContact O-N 3Å; G284-A288 WeakPolarHBondContact O-CB 3.29Å; G284-A288 PolarHBondContact O-N 3.13Å; G284-A288 VanDerWaalsContact O-N 3.13Å
285	G	64.6	Low	77	Confident	55 Å²	55	89.4 Å²	89.4	57%	0.567	57%	0.57	S	S	*	*	H	α-helix	trans	-78.9	-13.1	174.7	0	0	0	0	0	115.1	S281 V283	S281-G285 PolarHBondContact O-N 3.16Å; V283-G285 VanDerWaalsContact C-N 3.31Å; V283-G285 PolarHBondContact O-N 3.03Å
286	I	67.3	Low	76	Confident	130 Å²	130	88.2 Å²	88.2	67%	0.667	57%	0.571	S	S	*	*	H	α-helix	trans	-89	-26.1	173.4	-72	165.4	0	0	0	111.1	T282 V283	T282-I286 WeakPolarHBondContact O-CB 3.22Å; T282-I286 VanDerWaalsContact O-CD1 3.26Å; T282-I286 WeakPolarHBondContact O-CD1 3.48Å; T282-I286 WeakPolarHBondContact O-CG1 3.15Å; T282-I286 PolarHBondContact O-N 2.98Å; T282-I286 VanDerWaalsContact O-N 3.16Å; V283-I286 PolarHBondContact O-N 3.11Å; V283-I286 VanDerWaalsContact O-N 3.09Å
287	F	56	Low	74.9	Confident	177 Å²	177	92.3 Å²	92.3	78%	0.776	59%	0.585	S	S	*	*	H	α-helix	trans	-107.2	1.3	-177.5	-73.1	-78	0	0	0	114.8	V283	V283-F287 HydrophobicContact CG1-CD2 3.74Å; V283-F287 HydrophobicContact CG1-CE2 3.95Å; V283-F287 VanDerWaalsContact O-CD2 3.29Å; V283-F287 WeakPolarHBondContact O-CD2 3.26Å; V283-F287 PolarHBondContact O-N 3.09Å; V283-F287 VanDerWaalsContact O-N 3.11Å
288	A	51.8	Low	73.5	Confident	138 Å²	138	90.9 Å²	90.9	100%	1.141	59%	0.588	S	S	*	*			trans	-106.8	0	170.1	0	0	0	0	0	110.4	G284	G284-A288 WeakPolarHBondContact O-CB 3.29Å; G284-A288 PolarHBondContact O-N 3.13Å; G284-A288 VanDerWaalsContact O-N 3.13Å

Retrieved 288 of 288 residues in 439.1 ms (Link to these results)

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