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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 , UniProt , Accession X5D7S1, Species HUMAN (Homo sapiens, Human), Gene STX1A, Length 248 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	47.7	Very low	59.9	Low	249 Å²	249	146.5 Å²	146.5	100%	1.227	72%	0.715	S	S	*	*				0	126.4	0	-96	166.8	173.4	0	0	107.6
2	K	53.8	Low	59.4	Low	202 Å²	202	149.3 Å²	149.3	88%	0.878	72%	0.721	S	S	*	*			trans	-81.5	131.8	175	-76.5	172.8	176.5	170.5	0	108.1	R4	K2-R4 PolarHBondContact O-N 3.03Å
3	D	59.4	Low	58.9	Low	135 Å²	135	149.7 Å²	149.7	72%	0.722	73%	0.729	S	S	*	*			trans	-61.1	122.5	179.5	-176.4	0.4	0	0	0	110.5	T5	D3-T5 VanDerWaalsContact OD1-CB 3.25Å; D3-T5 WeakPolarHBondContact OD1-CB 3.25Å; D3-T5 PolarHBondContact OD1-N 2.93Å; D3-T5 PolarHBondContact OD1-OG1 2.91Å
4	R	71.4	Confident	58.4	Low	172 Å²	172	145.3 Å²	145.3	65%	0.649	72%	0.721	S	S	*	*			trans	-106.5	9	-178.5	-65.7	-176	68.5	-167.5	-1.6	112.8	K2 Q6 E7	K2-R4 PolarHBondContact O-N 3.03Å; R4-Q6 PolarHBondContact O-N 3.23Å; R4-Q6 VanDerWaalsContact O-N 3.14Å; R4-E7 IonicContact CZ-OE2 3.12Å; R4-E7 IonicContact NE-OE2 2.64Å; R4-E7 PolarHBondContact NE-OE2 3.43Å; R4-E7 IonicContact NH2-OE2 2.75Å; R4-E7 PolarHBondContact NH2-OE2 3.17Å; R4-E7 PolarHBondContact O-N 3.46Å
5	T	69.4	Low	57.8	Low	88 Å²	88	144.5 Å²	144.5	54%	0.54	72%	0.72	S	S	.	*	T	Hydrogen-bonded Turn	trans	-64	-21.1	-175.9	-42.3	0	0	0	0	112.6	D3	D3-T5 VanDerWaalsContact OD1-CB 3.25Å; D3-T5 WeakPolarHBondContact OD1-CB 3.25Å; D3-T5 PolarHBondContact OD1-N 2.93Å; D3-T5 PolarHBondContact OD1-OG1 2.91Å
6	Q	61.8	Low	57.7	Low	162 Å²	162	146.2 Å²	146.2	76%	0.757	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.5	-32.7	177.3	-115.8	175.2	-7	0	0	113.7	R4 L8 R9	R4-Q6 PolarHBondContact O-N 3.23Å; R4-Q6 VanDerWaalsContact O-N 3.14Å; Q6-L8 VanDerWaalsContact C-N 3.27Å; Q6-L8 PolarHBondContact O-N 3.37Å; Q6-R9 PolarHBondContact O-N 3.14Å
7	E	64.8	Low	57	Low	108 Å²	108	146.4 Å²	146.4	51%	0.505	74%	0.737	S	S	.	*	H	α-helix	trans	-66.3	-31.6	-179.6	-67.4	177.2	175.6	0	0	111.7	R4 R9 T10 A11	R4-E7 IonicContact CZ-OE2 3.12Å; R4-E7 IonicContact NE-OE2 2.64Å; R4-E7 PolarHBondContact NE-OE2 3.43Å; R4-E7 IonicContact NH2-OE2 2.75Å; R4-E7 PolarHBondContact NH2-OE2 3.17Å; R4-E7 PolarHBondContact O-N 3.46Å; E7-R9 VanDerWaalsContact C-N 3.32Å; E7-R9 PolarHBondContact O-N 3.48Å; E7-T10 PolarHBondContact O-OG1 3.03Å; E7-A11 PolarHBondContact O-N 3.18Å
8	L	59.6	Low	56.3	Low	134 Å²	134	147.2 Å²	147.2	70%	0.702	74%	0.743	S	S	*	*	H	α-helix	trans	-74	-19.9	178.5	-73.4	166	0	0	0	113.7	Q6	Q6-L8 VanDerWaalsContact C-N 3.27Å; Q6-L8 PolarHBondContact O-N 3.37Å
9	R	58.3	Low	55.5	Low	195 Å²	195	147.2 Å²	147.2	74%	0.736	75%	0.745	S	S	*	*	H	α-helix	trans	-80.4	-38.6	177	-74.3	-174.4	168.1	-177	-3.2	111.7	Q6 E7 A11 K12	Q6-R9 PolarHBondContact O-N 3.14Å; E7-R9 VanDerWaalsContact C-N 3.32Å; E7-R9 PolarHBondContact O-N 3.48Å; R9-A11 VanDerWaalsContact C-N 3.35Å; R9-K12 PolarHBondContact O-N 2.88Å
10	T	56.8	Low	55.1	Low	107 Å²	107	145.9 Å²	145.9	66%	0.656	75%	0.745	S	S	*	*	H	α-helix	trans	-73.7	-24.5	-179.8	40.9	0	0	0	0	113.6	E7 K12	E7-T10 PolarHBondContact O-OG1 3.03Å; T10-K12 VanDerWaalsContact C-N 3.3Å
11	A	55.5	Low	54.3	Low	60 Å²	60	142 Å²	142	50%	0.496	74%	0.735	S	S	.	*	G	3₁₀ helix	trans	-79.5	-10.3	177	0	0	0	0	0	113.8	E7 R9	E7-A11 PolarHBondContact O-N 3.18Å; R9-A11 VanDerWaalsContact C-N 3.35Å
12	K	54.6	Low	54.1	Low	180 Å²	180	135.6 Å²	135.6	78%	0.783	71%	0.71	S	S	*	*	G	3₁₀ helix	trans	-88	-12.1	-176.2	-157.9	171.3	-178.1	177.1	0	113.6	R9 T10	R9-K12 PolarHBondContact O-N 2.88Å; T10-K12 VanDerWaalsContact C-N 3.3Å
13	D	52.8	Low	53.4	Low	154 Å²	154	131.7 Å²	131.7	82%	0.824	70%	0.703	S	S	*	*	G	3₁₀ helix	trans	-90.5	3	-178.1	-75.8	-14.3	0	0	0	113.4
14	S	52.2	Low	52.8	Low	88 Å²	88	130.9 Å²	130.9	62%	0.615	70%	0.703	S	S	*	*	S	Bend	trans	-119.1	-3.1	-171.5	59.7	0	0	0	0	117.5
15	D	49.7	Very low	51.6	Low	133 Å²	133	127.8 Å²	127.8	71%	0.711	70%	0.699	S	S	*	*			trans	-112.8	100.9	178.9	-70.1	-22.9	0	0	0	110.4	D17	D15-D17 PolarHBondContact O-N 2.85Å; D15-D17 VanDerWaalsContact O-N 3.17Å
16	D	55.2	Low	50.5	Low	172 Å²	172	133.9 Å²	133.9	92%	0.92	71%	0.712	S	S	*	*			trans	-56.7	103.7	154.8	-89.1	-36.3	0	0	0	107.7
17	D	46.3	Very low	49.7	Very low	150 Å²	150	133 Å²	133	80%	0.802	71%	0.712	S	S	*	*			trans	-143.7	128.2	163.6	-114.2	-22	0	0	0	108.9	D15 D19	D15-D17 PolarHBondContact O-N 2.85Å; D15-D17 VanDerWaalsContact O-N 3.17Å; D17-D19 PolarHBondContact O-N 3.45Å
18	D	44.8	Very low	49.1	Very low	161 Å²	161	137.1 Å²	137.1	86%	0.861	72%	0.723	S	S	*	*			trans	-39.6	105.8	-176.7	-92.2	-42	0	0	0	112.7	V20	D18-V20 PolarHBondContact O-N 2.51Å
19	D	40	Very low	48.8	Very low	146 Å²	146	134.8 Å²	134.8	78%	0.781	71%	0.708	S	S	*	*			trans	-73.8	79.5	174.2	-161.7	20.7	0	0	0	108.9	D17 A21	D17-D19 PolarHBondContact O-N 3.45Å; D19-A21 PolarHBondContact O-N 3.04Å
20	V	48.3	Very low	48.9	Very low	121 Å²	121	127 Å²	127	73%	0.733	68%	0.68	S	S	*	*			trans	-71	79.8	155.7	-173.1	0	0	0	0	106.1	D18 V22	D18-V20 PolarHBondContact O-N 2.51Å; V20-V22 VanDerWaalsContact C-N 3.25Å; V20-V22 PolarHBondContact O-N 3.02Å
21	A	38.5	Very low	49.3	Very low	64 Å²	64	126.3 Å²	126.3	53%	0.529	67%	0.672	S	S	.	*			trans	-62.2	89.5	173.4	0	0	0	0	0	108.7	D19 T23	D19-A21 PolarHBondContact O-N 3.04Å; A21-T23 VanDerWaalsContact C-N 3.33Å; A21-T23 PolarHBondContact O-N 2.78Å
22	V	43.7	Very low	49.9	Very low	116 Å²	116	130.4 Å²	130.4	70%	0.703	68%	0.681	S	S	*	*			trans	-66.8	104.2	159.8	-179.9	0	0	0	0	104.6	V20 V24	V20-V22 VanDerWaalsContact C-N 3.25Å; V20-V22 PolarHBondContact O-N 3.02Å; V22-V24 PolarHBondContact O-N 3.35Å
23	T	37.8	Very low	50.3	Low	119 Å²	119	123.1 Å²	123.1	73%	0.73	65%	0.65	S	S	*	*			trans	-57.6	94.3	172.1	53.1	0	0	0	0	107.6	A21 D25	A21-T23 VanDerWaalsContact C-N 3.33Å; A21-T23 PolarHBondContact O-N 2.78Å; T23-D25 VanDerWaalsContact C-N 3.3Å; T23-D25 PolarHBondContact O-N 3.06Å
24	V	48.5	Very low	50.9	Low	119 Å²	119	121.1 Å²	121.1	72%	0.721	63%	0.634	S	S	*	*			trans	-64.4	103.7	162.4	-179.5	0	0	0	0	103.6	V22 R26	V22-V24 PolarHBondContact O-N 3.35Å; V24-R26 HydrophobicContact CG1-CB 4.48Å; V24-R26 PolarHBondContact O-N 3.22Å
25	D	44.8	Very low	51.9	Low	107 Å²	107	123.6 Å²	123.6	57%	0.572	64%	0.636	S	S	*	*			trans	-59.2	77.8	169.1	-111.9	-41.4	0	0	0	107.7	T23 D27	T23-D25 VanDerWaalsContact C-N 3.3Å; T23-D25 PolarHBondContact O-N 3.06Å; D25-D27 VanDerWaalsContact C-N 3.27Å
26	R	46.6	Very low	52.6	Low	216 Å²	216	120.2 Å²	120.2	82%	0.815	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.8	-18.7	-173.9	-164.9	176.3	-175.5	-163.6	0.3	111.3	V24	V24-R26 HydrophobicContact CG1-CB 4.48Å; V24-R26 PolarHBondContact O-N 3.22Å
27	D	45.7	Very low	53.1	Low	143 Å²	143	114.2 Å²	114.2	77%	0.765	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.4	0.3	-174.9	-73.1	-14.5	0	0	0	114	D25	D25-D27 VanDerWaalsContact C-N 3.27Å
28	R	52.5	Low	54.3	Low	194 Å²	194	112.2 Å²	112.2	73%	0.732	57%	0.571	S	S	*	*	S	Bend	trans	-137.4	10.2	179.4	-58.7	-175.5	-139.3	-128.3	-1.7	114.1	M30	R28-M30 PolarHBondContact O-N 3.15Å
29	F	51.7	Low	55.8	Low	85 Å²	85	108.2 Å²	108.2	37%	0.373	55%	0.547	S	S	.	.	S	Bend	trans	-87.1	109.3	-178.5	-171	-95.8	0	0	0	108.4	Y101 E161	F29-Y101 HydrophobicContact CZ-CE2 4.02Å; F29-E161 WeakPolarHBondContact CE1-OE1 3.28Å
30	M	60.1	Low	57.3	Low	31 Å²	31	101.7 Å²	101.7	15%	0.153	51%	0.512	C	S	.	.	S	Bend	trans	88.3	3.8	179.6	-58.3	-105.9	-78.5	0	0	117.7	R28 E32 F33 F34 Y101	R28-M30 PolarHBondContact O-N 3.15Å; M30-E32 VanDerWaalsContact C-N 3.3Å; M30-E32 PolarHBondContact O-N 3.29Å; M30-F33 HydrophobicContact CB-CB 4.34Å; M30-F33 HydrophobicContact CE-CD1 3.46Å; M30-F33 VanDerWaalsContact CE-CD1 3.46Å; M30-F33 HydrophobicContact CE-CE1 3.74Å; M30-F33 HydrophobicContact CE-CG 4.3Å; M30-F33 WeakPolarHBondContact O-CA 3.05Å; M30-F33 WeakPolarHBondContact O-CB 3.48Å; M30-F33 PolarHBondContact O-N 3.27Å; M30-F33 HydrophobicContact SD-CB 4.05Å; M30-F33 HydrophobicContact SD-CD1 3.73Å; M30-F33 HydrophobicContact SD-CE1 4.46Å; M30-F33 HydrophobicContact SD-CG 3.99Å; M30-F34 HydrophobicContact CB-CD2 3.66Å; M30-F34 HydrophobicContact CB-CE2 3.5Å; M30-F34 VanDerWaalsContact CB-CE2 3.5Å; M30-F34 HydrophobicContact CB-CZ 4.42Å; M30-F34 HydrophobicContact CE-CE2 4.16Å; M30-F34 HydrophobicContact CE-CZ 3.96Å; M30-F34 HydrophobicContact CG-CE2 4.46Å; M30-F34 WeakPolarHBondContact O-CD2 3.48Å; M30-F34 PolarHBondContact O-N 2.67Å; M30-Y101 HydrophobicContact CG-CE2 4.36Å; M30-Y101 HydrophobicContact SD-CD2 4.25Å; M30-Y101 HydrophobicContact SD-CE1 4.03Å; M30-Y101 HydrophobicContact SD-CE2 3.37Å; M30-Y101 WeakPolarHBondContact SD-CE2 3.49Å; M30-Y101 PolarHBondContact SD-OH 3.07Å
31	D	67.1	Low	58.3	Low	94 Å²	94	102.6 Å²	102.6	50%	0.503	50%	0.502	S	S	.	.	H	α-helix	trans	-56.8	-44.3	178.2	-72.6	-11.6	0	0	0	112.6	F33 F34 E35	D31-F33 VanDerWaalsContact C-N 3.29Å; D31-F33 PolarHBondContact O-N 2.98Å; D31-F34 PolarHBondContact O-N 2.75Å; D31-E35 VanDerWaalsContact O-CB 3.31Å; D31-E35 WeakPolarHBondContact O-CB 3.3Å; D31-E35 PolarHBondContact O-N 3.24Å
32	E	66.4	Low	60	Low	146 Å²	146	101.3 Å²	101.3	68%	0.682	50%	0.495	S	S	*	.	H	α-helix	trans	-64	-34.8	177.3	-171.8	177.7	-174.4	0	0	112.2	M30 Q36	M30-E32 VanDerWaalsContact C-N 3.3Å; M30-E32 PolarHBondContact O-N 3.29Å; E32-Q36 VanDerWaalsContact O-CG 3.29Å; E32-Q36 WeakPolarHBondContact O-CG 3.31Å; E32-Q36 PolarHBondContact O-N 3.42Å
33	F	63.9	Low	61.5	Low	27 Å²	27	97.9 Å²	97.9	12%	0.118	47%	0.471	C	S	.	.	H	α-helix	trans	-70.8	-45.8	175.2	170.2	-99.9	0	0	0	111.3	M30 D31 E35 Q36 V37 I96 L165	M30-F33 HydrophobicContact CB-CB 4.34Å; M30-F33 HydrophobicContact CE-CD1 3.46Å; M30-F33 VanDerWaalsContact CE-CD1 3.46Å; M30-F33 HydrophobicContact CE-CE1 3.74Å; M30-F33 HydrophobicContact CE-CG 4.3Å; M30-F33 WeakPolarHBondContact O-CA 3.05Å; M30-F33 WeakPolarHBondContact O-CB 3.48Å; M30-F33 PolarHBondContact O-N 3.27Å; M30-F33 HydrophobicContact SD-CB 4.05Å; M30-F33 HydrophobicContact SD-CD1 3.73Å; M30-F33 HydrophobicContact SD-CE1 4.46Å; M30-F33 HydrophobicContact SD-CG 3.99Å; D31-F33 VanDerWaalsContact C-N 3.29Å; D31-F33 PolarHBondContact O-N 2.98Å; F33-E35 VanDerWaalsContact C-N 3.32Å; F33-E35 PolarHBondContact O-N 3.04Å; F33-Q36 WeakPolarHBondContact O-CB 3.05Å; F33-Q36 PolarHBondContact O-N 3.05Å; F33-V37 HydrophobicContact CD1-CG2 4.29Å; F33-V37 HydrophobicContact CD2-CG2 4.42Å; F33-V37 HydrophobicContact CE1-CG2 3.81Å; F33-V37 HydrophobicContact CE2-CG2 3.94Å; F33-V37 HydrophobicContact CZ-CG2 3.62Å; F33-V37 WeakPolarHBondContact O-CG2 3.45Å; F33-V37 PolarHBondContact O-N 3.42Å; F33-I96 HydrophobicContact CE2-CG2 3.89Å; F33-L165 HydrophobicContact CE2-CD1 3.45Å; F33-L165 VanDerWaalsContact CE2-CD1 3.45Å; F33-L165 HydrophobicContact CZ-CD1 3.73Å
34	F	64.8	Low	63.2	Low	111 Å²	111	94.1 Å²	94.1	49%	0.487	45%	0.446	S	S	.	.	H	α-helix	trans	-66.7	-34.3	178.3	-73.7	-58.8	0	0	0	112.3	M30 D31 V37 E38	M30-F34 HydrophobicContact CB-CD2 3.66Å; M30-F34 HydrophobicContact CB-CE2 3.5Å; M30-F34 VanDerWaalsContact CB-CE2 3.5Å; M30-F34 HydrophobicContact CB-CZ 4.42Å; M30-F34 HydrophobicContact CE-CE2 4.16Å; M30-F34 HydrophobicContact CE-CZ 3.96Å; M30-F34 HydrophobicContact CG-CE2 4.46Å; M30-F34 WeakPolarHBondContact O-CD2 3.48Å; M30-F34 PolarHBondContact O-N 2.67Å; D31-F34 PolarHBondContact O-N 2.75Å; F34-V37 PolarHBondContact O-N 3.25Å; F34-E38 WeakPolarHBondContact O-CB 3.48Å; F34-E38 PolarHBondContact O-N 2.92Å
35	E	73.3	Confident	64.4	Low	141 Å²	141	93.1 Å²	93.1	66%	0.659	44%	0.437	S	S	*	.	H	α-helix	trans	-61.3	-44.2	171.4	-171.8	174	-165.9	0	0	111	D31 F33 V37 E38 E39	D31-E35 VanDerWaalsContact O-CB 3.31Å; D31-E35 WeakPolarHBondContact O-CB 3.3Å; D31-E35 PolarHBondContact O-N 3.24Å; F33-E35 VanDerWaalsContact C-N 3.32Å; F33-E35 PolarHBondContact O-N 3.04Å; E35-V37 PolarHBondContact O-N 3.24Å; E35-E38 PolarHBondContact O-N 2.74Å; E35-E39 WeakPolarHBondContact O-CB 3.47Å; E35-E39 PolarHBondContact O-N 3.25Å
36	Q	65.3	Low	66	Low	62 Å²	62	92.3 Å²	92.3	29%	0.29	43%	0.428	S	S	.	.	H	α-helix	trans	-64.1	-39	174.6	-71.8	177.8	4.2	0	0	112.9	E32 F33 E39 I40 I96	E32-Q36 VanDerWaalsContact O-CG 3.29Å; E32-Q36 WeakPolarHBondContact O-CG 3.31Å; E32-Q36 PolarHBondContact O-N 3.42Å; F33-Q36 WeakPolarHBondContact O-CB 3.05Å; F33-Q36 PolarHBondContact O-N 3.05Å; Q36-E39 PolarHBondContact O-N 3.29Å; Q36-I40 WeakPolarHBondContact O-CG1 3Å; Q36-I40 PolarHBondContact O-N 3.19Å; Q36-I96 HydrophobicContact CB-CD1 4.01Å
37	V	66.1	Low	67.2	Low	45 Å²	45	82.9 Å²	82.9	27%	0.273	39%	0.393	S	S	.	.	H	α-helix	trans	-66.8	-45.1	177.3	170.1	0	0	0	0	111.3	F33 F34 E35 E39 I40 R41	F33-V37 HydrophobicContact CD1-CG2 4.29Å; F33-V37 HydrophobicContact CD2-CG2 4.42Å; F33-V37 HydrophobicContact CE1-CG2 3.81Å; F33-V37 HydrophobicContact CE2-CG2 3.94Å; F33-V37 HydrophobicContact CZ-CG2 3.62Å; F33-V37 WeakPolarHBondContact O-CG2 3.45Å; F33-V37 PolarHBondContact O-N 3.42Å; F34-V37 PolarHBondContact O-N 3.25Å; E35-V37 PolarHBondContact O-N 3.24Å; V37-E39 VanDerWaalsContact C-N 3.32Å; V37-E39 PolarHBondContact O-N 2.91Å; V37-I40 PolarHBondContact O-N 3.32Å; V37-R41 WeakPolarHBondContact O-CB 3.23Å; V37-R41 PolarHBondContact O-N 2.82Å
38	E	71.4	Confident	68.4	Low	109 Å²	109	78.6 Å²	78.6	51%	0.509	38%	0.378	S	S	.	.	H	α-helix	trans	-65.4	-35.5	176.7	-79	-63.8	149.8	0	0	111.9	F34 E35 R41 G42	F34-E38 WeakPolarHBondContact O-CB 3.48Å; F34-E38 PolarHBondContact O-N 2.92Å; E35-E38 PolarHBondContact O-N 2.74Å; E38-R41 PolarHBondContact O-N 3Å; E38-R41 IonicContact OE1-NH1 2.93Å; E38-R41 PolarHBondContact OE1-NH1 3.46Å; E38-G42 PolarHBondContact O-N 2.95Å
39	E	76	Confident	69.6	Low	77 Å²	77	74.5 Å²	74.5	36%	0.36	37%	0.367	S	S	.	.	H	α-helix	trans	-65.4	-42.9	174.2	-163.9	-172.8	166.7	0	0	112	E35 Q36 V37 R41 G42 F43 K92	E35-E39 WeakPolarHBondContact O-CB 3.47Å; E35-E39 PolarHBondContact O-N 3.25Å; Q36-E39 PolarHBondContact O-N 3.29Å; V37-E39 VanDerWaalsContact C-N 3.32Å; V37-E39 PolarHBondContact O-N 2.91Å; E39-R41 VanDerWaalsContact C-N 3.34Å; E39-G42 PolarHBondContact O-N 3.43Å; E39-F43 HydrophobicContact CG-CE2 3.72Å; E39-F43 HydrophobicContact CG-CZ 3.82Å; E39-F43 VanDerWaalsContact O-CD2 3.24Å; E39-F43 WeakPolarHBondContact O-CD2 3.38Å; E39-F43 WeakPolarHBondContact O-CG 3.35Å; E39-F43 PolarHBondContact O-N 3.5Å; E39-F43 VanDerWaalsContact O-N 3.08Å; E39-K92 WeakPolarHBondContact OE1-CE 3.29Å; E39-K92 IonicContact OE1-NZ 2.68Å; E39-K92 PolarHBondContact OE1-NZ 3.47Å; E39-K92 WeakPolarHBondContact OE2-CE 3.49Å; E39-K92 IonicContact OE2-NZ 2.91Å; E39-K92 PolarHBondContact OE2-NZ 3.49Å
40	I	70.5	Confident	70.6	Confident	9 Å²	9	71 Å²	71	5%	0.046	35%	0.352	C	S	.	.	H	α-helix	trans	-60.9	-45	173.7	-74.8	172.6	0	0	0	110.8	Q36 V37 G42 F43 I44 V89 K92 I96 L172	Q36-I40 WeakPolarHBondContact O-CG1 3Å; Q36-I40 PolarHBondContact O-N 3.19Å; V37-I40 PolarHBondContact O-N 3.32Å; I40-G42 VanDerWaalsContact C-N 3.33Å; I40-G42 PolarHBondContact O-N 2.92Å; I40-F43 WeakPolarHBondContact O-CB 3.16Å; I40-F43 PolarHBondContact O-N 3.4Å; I40-F43 VanDerWaalsContact O-N 3.13Å; I40-I44 HydrophobicContact CG2-CD1 3.81Å; I40-I44 HydrophobicContact CG2-CG1 4.49Å; I40-I44 WeakPolarHBondContact O-CG1 3.44Å; I40-I44 PolarHBondContact O-N 2.74Å; I40-V89 HydrophobicContact CG2-CG1 4.38Å; I40-K92 HydrophobicContact CD1-CB 3.9Å; I40-K92 HydrophobicContact CG1-CB 3.91Å; I40-K92 HydrophobicContact CG1-CD 4.35Å; I40-I96 HydrophobicContact CD1-CD1 3.27Å; I40-L172 HydrophobicContact CG2-CD1 4.45Å; I40-L172 HydrophobicContact CG2-CD2 3.54Å
41	R	69.8	Low	71.1	Confident	139 Å²	139	70.8 Å²	70.8	53%	0.525	35%	0.353	S	S	.	.	H	α-helix	trans	-58.7	-45	177.1	-173.5	-178.8	178.5	-173.9	1.6	111.6	V37 E38 E39 F43 I44 D45	V37-R41 WeakPolarHBondContact O-CB 3.23Å; V37-R41 PolarHBondContact O-N 2.82Å; E38-R41 PolarHBondContact O-N 3Å; E38-R41 IonicContact OE1-NH1 2.93Å; E38-R41 PolarHBondContact OE1-NH1 3.46Å; E39-R41 VanDerWaalsContact C-N 3.34Å; R41-F43 VanDerWaalsContact C-N 3.29Å; R41-F43 PolarHBondContact O-N 3.12Å; R41-I44 WeakPolarHBondContact O-CB 3.42Å; R41-I44 PolarHBondContact O-N 3.41Å; R41-I44 VanDerWaalsContact O-N 3.09Å; R41-D45 PolarHBondContact O-N 3.23Å
42	G	73.6	Confident	71.4	Confident	37 Å²	37	71.5 Å²	71.5	38%	0.381	35%	0.353	S	S	.	.	H	α-helix	trans	-60.1	-36.9	175	0	0	0	0	0	113.3	E38 E39 I40 K46	E38-G42 PolarHBondContact O-N 2.95Å; E39-G42 PolarHBondContact O-N 3.43Å; I40-G42 VanDerWaalsContact C-N 3.33Å; I40-G42 PolarHBondContact O-N 2.92Å; G42-K46 WeakPolarHBondContact O-CB 3.39Å; G42-K46 PolarHBondContact O-N 3.31Å
43	F	76.4	Confident	71.8	Confident	45 Å²	45	68 Å²	68	20%	0.197	34%	0.336	C	S	.	.	H	α-helix	trans	-68.2	-36.1	173.6	-65.5	-38.6	0	0	0	113.2	E39 I40 R41 K46 I47 T85 V89 K92	E39-F43 HydrophobicContact CG-CE2 3.72Å; E39-F43 HydrophobicContact CG-CZ 3.82Å; E39-F43 VanDerWaalsContact O-CD2 3.24Å; E39-F43 WeakPolarHBondContact O-CD2 3.38Å; E39-F43 WeakPolarHBondContact O-CG 3.35Å; E39-F43 PolarHBondContact O-N 3.5Å; E39-F43 VanDerWaalsContact O-N 3.08Å; I40-F43 WeakPolarHBondContact O-CB 3.16Å; I40-F43 PolarHBondContact O-N 3.4Å; I40-F43 VanDerWaalsContact O-N 3.13Å; R41-F43 VanDerWaalsContact C-N 3.29Å; R41-F43 PolarHBondContact O-N 3.12Å; F43-K46 PolarHBondContact O-N 2.95Å; F43-I47 WeakPolarHBondContact O-CG1 3.31Å; F43-I47 PolarHBondContact O-N 3.19Å; F43-T85 HydrophobicContact CB-CG2 3.77Å; F43-T85 HydrophobicContact CD1-CG2 4.11Å; F43-T85 HydrophobicContact CG-CG2 4.19Å; F43-V89 HydrophobicContact CB-CG2 3.34Å; F43-V89 HydrophobicContact CD2-CG2 4.13Å; F43-V89 HydrophobicContact CG-CG2 4.14Å; F43-K92 HydrophobicContact CE2-CD 3.84Å
44	I	72.4	Confident	72.2	Confident	40 Å²	40	66.7 Å²	66.7	21%	0.205	33%	0.331	C	S	.	.	H	α-helix	trans	-66.5	-46	176.3	-65.1	162.1	0	0	0	110.2	I40 R41 K46 I47 A48 L172 M175	I40-I44 HydrophobicContact CG2-CD1 3.81Å; I40-I44 HydrophobicContact CG2-CG1 4.49Å; I40-I44 WeakPolarHBondContact O-CG1 3.44Å; I40-I44 PolarHBondContact O-N 2.74Å; R41-I44 WeakPolarHBondContact O-CB 3.42Å; R41-I44 PolarHBondContact O-N 3.41Å; R41-I44 VanDerWaalsContact O-N 3.09Å; I44-K46 PolarHBondContact O-N 2.68Å; I44-I47 WeakPolarHBondContact O-CB 3.5Å; I44-I47 PolarHBondContact O-N 3.11Å; I44-I47 VanDerWaalsContact O-N 3.09Å; I44-A48 PolarHBondContact O-N 3.31Å; I44-L172 HydrophobicContact CD1-CD1 3.52Å; I44-L172 HydrophobicContact CG1-CD1 4.26Å; I44-M175 HydrophobicContact CD1-CE 3.89Å; I44-M175 HydrophobicContact CD1-SD 4.48Å; I44-M175 HydrophobicContact CG2-SD 4.1Å
45	D	74.4	Confident	72.5	Confident	98 Å²	98	66.3 Å²	66.3	52%	0.524	33%	0.329	S	S	.	.	H	α-helix	trans	-58.5	-39.8	175.8	-71.1	-23.1	0	0	0	111.1	R41 A48 E49	R41-D45 PolarHBondContact O-N 3.23Å; D45-A48 PolarHBondContact O-N 3.26Å; D45-E49 PolarHBondContact O-N 3Å
46	K	77.3	Confident	72.6	Confident	89 Å²	89	66.6 Å²	66.6	39%	0.387	32%	0.324	S	S	.	.	H	α-helix	trans	-65.7	-39.2	175.7	-170.8	68.9	-159.3	162.4	0	112.9	G42 F43 I44 E49 N50	G42-K46 WeakPolarHBondContact O-CB 3.39Å; G42-K46 PolarHBondContact O-N 3.31Å; F43-K46 PolarHBondContact O-N 2.95Å; I44-K46 PolarHBondContact O-N 2.68Å; K46-E49 IonicContact NZ-OE1 3.5Å; K46-E49 IonicContact NZ-OE2 2.79Å; K46-E49 PolarHBondContact NZ-OE2 3.37Å; K46-N50 WeakPolarHBondContact CE-OD1 3.35Å; K46-N50 WeakPolarHBondContact O-CB 3.41Å; K46-N50 VanDerWaalsContact O-CG 3.23Å; K46-N50 PolarHBondContact O-N 3.13Å; K46-N50 PolarHBondContact O-OD1 2.91Å
47	I	73.1	Confident	73	Confident	18 Å²	18	65.1 Å²	65.1	9%	0.092	32%	0.317	C	S	.	.	H	α-helix	trans	-64	-45	174.4	-70.4	164.7	0	0	0	110	F43 I44 E49 N50 V51 I82 T85 A86 V89 M179	F43-I47 WeakPolarHBondContact O-CG1 3.31Å; F43-I47 PolarHBondContact O-N 3.19Å; I44-I47 WeakPolarHBondContact O-CB 3.5Å; I44-I47 PolarHBondContact O-N 3.11Å; I44-I47 VanDerWaalsContact O-N 3.09Å; I47-E49 VanDerWaalsContact C-N 3.34Å; I47-E49 PolarHBondContact O-N 3.39Å; I47-N50 PolarHBondContact O-N 3.41Å; I47-V51 HydrophobicContact CG2-CG2 4.19Å; I47-V51 WeakPolarHBondContact O-CB 3.42Å; I47-V51 VanDerWaalsContact O-CG2 3.27Å; I47-V51 WeakPolarHBondContact O-CG2 3.36Å; I47-V51 PolarHBondContact O-N 2.99Å; I47-I82 HydrophobicContact CG2-CG2 4.35Å; I47-T85 HydrophobicContact CD1-CG2 3.91Å; I47-T85 HydrophobicContact CG1-CG2 3.71Å; I47-A86 HydrophobicContact CD1-CB 4.41Å; I47-V89 HydrophobicContact CD1-CG2 4.29Å; I47-M179 HydrophobicContact CD1-SD 4.14Å; I47-M179 HydrophobicContact CG2-SD 4.03Å
48	A	70.3	Confident	73.1	Confident	53 Å²	53	63.9 Å²	63.9	44%	0.438	31%	0.308	S	S	.	.	H	α-helix	trans	-59.4	-43.9	178.5	0	0	0	0	0	111.9	I44 D45 V51 E52	I44-A48 PolarHBondContact O-N 3.31Å; D45-A48 PolarHBondContact O-N 3.26Å; A48-V51 PolarHBondContact O-N 2.82Å; A48-E52 PolarHBondContact O-N 2.82Å; A48-E52 VanDerWaalsContact O-N 3.13Å
49	E	77.7	Confident	73.3	Confident	108 Å²	108	62.2 Å²	62.2	51%	0.505	31%	0.309	S	S	.	.	H	α-helix	trans	-59.2	-49.9	173.6	-173.4	-168.5	179.1	0	0	111.6	D45 K46 I47 V51 E52 E53	D45-E49 PolarHBondContact O-N 3Å; K46-E49 IonicContact NZ-OE1 3.5Å; K46-E49 IonicContact NZ-OE2 2.79Å; K46-E49 PolarHBondContact NZ-OE2 3.37Å; I47-E49 VanDerWaalsContact C-N 3.34Å; I47-E49 PolarHBondContact O-N 3.39Å; E49-V51 VanDerWaalsContact C-N 3.29Å; E49-V51 PolarHBondContact O-N 2.71Å; E49-E52 PolarHBondContact O-N 3.04Å; E49-E53 PolarHBondContact O-N 3.39Å
50	N	72.5	Confident	73.2	Confident	11 Å²	11	60.9 Å²	60.9	6%	0.059	31%	0.311	C	S	.	.	H	α-helix	trans	-62.9	-36.4	-179.7	-71.2	-4.2	0	0	0	111.9	K46 I47 E53 V54 L78 I82	K46-N50 WeakPolarHBondContact CE-OD1 3.35Å; K46-N50 WeakPolarHBondContact O-CB 3.41Å; K46-N50 VanDerWaalsContact O-CG 3.23Å; K46-N50 PolarHBondContact O-N 3.13Å; K46-N50 PolarHBondContact O-OD1 2.91Å; I47-N50 PolarHBondContact O-N 3.41Å; N50-E53 PolarHBondContact O-N 2.88Å; N50-V54 VanDerWaalsContact O-CG2 3.31Å; N50-V54 WeakPolarHBondContact O-CG2 3.42Å; N50-V54 PolarHBondContact O-N 3.06Å; N50-L78 HydrophobicContact CB-CD2 4.27Å; N50-I82 HydrophobicContact CB-CD1 3.89Å; N50-I82 HydrophobicContact CB-CG1 3.53Å
51	V	70.4	Confident	73.3	Confident	28 Å²	28	60.7 Å²	60.7	17%	0.17	31%	0.309	C	S	.	.	H	α-helix	trans	-65.3	-40	176.9	167.5	0	0	0	0	111.5	I47 A48 E49 V54 K55 I82	I47-V51 HydrophobicContact CG2-CG2 4.19Å; I47-V51 WeakPolarHBondContact O-CB 3.42Å; I47-V51 VanDerWaalsContact O-CG2 3.27Å; I47-V51 WeakPolarHBondContact O-CG2 3.36Å; I47-V51 PolarHBondContact O-N 2.99Å; A48-V51 PolarHBondContact O-N 2.82Å; E49-V51 VanDerWaalsContact C-N 3.29Å; E49-V51 PolarHBondContact O-N 2.71Å; V51-V54 PolarHBondContact O-N 3.29Å; V51-K55 WeakPolarHBondContact O-CG 3.33Å; V51-K55 PolarHBondContact O-N 3.38Å; V51-I82 HydrophobicContact CG2-CD1 3.95Å
52	E	73.6	Confident	73.3	Confident	108 Å²	108	59.5 Å²	59.5	51%	0.505	31%	0.313	S	S	.	.	H	α-helix	trans	-66.3	-39.3	174.7	-74.2	-57.2	137.1	0	0	112	A48 E49 K55 R56	A48-E52 PolarHBondContact O-N 2.82Å; A48-E52 VanDerWaalsContact O-N 3.13Å; E49-E52 PolarHBondContact O-N 3.04Å; E52-K55 PolarHBondContact O-N 3.3Å; E52-K55 IonicContact OE1-NZ 3.11Å; E52-K55 PolarHBondContact OE1-NZ 2.95Å; E52-R56 PolarHBondContact O-N 3.13Å
53	E	74.9	Confident	73.4	Confident	72 Å²	72	61.8 Å²	61.8	34%	0.336	33%	0.328	S	S	.	.	H	α-helix	trans	-64.4	-39.9	172.5	-79.7	-60.5	135.9	0	0	112.2	E49 N50 K55 R56 K57 L78	E49-E53 PolarHBondContact O-N 3.39Å; N50-E53 PolarHBondContact O-N 2.88Å; E53-K55 PolarHBondContact O-N 3.46Å; E53-R56 WeakPolarHBondContact O-CB 3.22Å; E53-R56 PolarHBondContact O-N 3.3Å; E53-R56 VanDerWaalsContact O-N 3.14Å; E53-R56 IonicContact OE1-NE 2.88Å; E53-R56 IonicContact OE2-NE 3.97Å; E53-R56 PolarHBondContact OE2-NE 2.99Å; E53-R56 IonicContact OE2-NH2 3.91Å; E53-K57 VanDerWaalsContact O-CG 3.27Å; E53-K57 WeakPolarHBondContact O-CG 3.41Å; E53-K57 PolarHBondContact O-N 3.08Å; E53-L78 HydrophobicContact CB-CD1 3.87Å; E53-L78 HydrophobicContact CB-CD2 4.27Å
54	V	73.3	Confident	73	Confident	1 Å²	1	61.7 Å²	61.7	1%	0.006	33%	0.333	C	S	.	.	H	α-helix	trans	-57.1	-47.8	173.1	165	0	0	0	0	110.8	N50 V51 R56 K57 H58 L75 L78 I82 Q186	N50-V54 VanDerWaalsContact O-CG2 3.31Å; N50-V54 WeakPolarHBondContact O-CG2 3.42Å; N50-V54 PolarHBondContact O-N 3.06Å; V51-V54 PolarHBondContact O-N 3.29Å; V54-R56 VanDerWaalsContact C-N 3.28Å; V54-R56 PolarHBondContact O-N 3.28Å; V54-K57 PolarHBondContact O-N 2.78Å; V54-H58 VanDerWaalsContact O-CB 3.32Å; V54-H58 WeakPolarHBondContact O-CB 3.4Å; V54-H58 PolarHBondContact O-N 3.1Å; V54-L75 HydrophobicContact CB-CD1 4.31Å; V54-L75 HydrophobicContact CG1-CD1 3.82Å; V54-L75 HydrophobicContact CG2-CD1 4.18Å; V54-L78 HydrophobicContact CG2-CB 3.68Å; V54-L78 HydrophobicContact CG2-CD1 4.22Å; V54-I82 HydrophobicContact CG2-CD1 3.79Å; V54-Q186 VanDerWaalsContact CG1-OE1 3.29Å
55	K	69.5	Low	72.5	Confident	103 Å²	103	64.2 Å²	64.2	45%	0.448	35%	0.352	S	S	.	.	H	α-helix	trans	-58.8	-40.6	176.2	-72.1	176	-172.1	167	0	112.1	V51 E52 E53 S59	V51-K55 WeakPolarHBondContact O-CG 3.33Å; V51-K55 PolarHBondContact O-N 3.38Å; E52-K55 PolarHBondContact O-N 3.3Å; E52-K55 IonicContact OE1-NZ 3.11Å; E52-K55 PolarHBondContact OE1-NZ 2.95Å; E53-K55 PolarHBondContact O-N 3.46Å; K55-S59 WeakPolarHBondContact O-CB 3.44Å; K55-S59 PolarHBondContact O-N 3.05Å; K55-S59 PolarHBondContact O-OG 3.07Å
56	R	75.8	Confident	72.1	Confident	146 Å²	146	64.8 Å²	64.8	55%	0.551	36%	0.355	S	S	*	.	H	α-helix	trans	-66.3	-44.8	179.7	-155.6	-175.2	80.6	88.5	-1.2	111.6	E52 E53 V54 S59 A60	E52-R56 PolarHBondContact O-N 3.13Å; E53-R56 WeakPolarHBondContact O-CB 3.22Å; E53-R56 PolarHBondContact O-N 3.3Å; E53-R56 VanDerWaalsContact O-N 3.14Å; E53-R56 IonicContact OE1-NE 2.88Å; E53-R56 IonicContact OE2-NE 3.97Å; E53-R56 PolarHBondContact OE2-NE 2.99Å; E53-R56 IonicContact OE2-NH2 3.91Å; V54-R56 VanDerWaalsContact C-N 3.28Å; V54-R56 PolarHBondContact O-N 3.28Å; R56-S59 PolarHBondContact O-N 3.22Å; R56-A60 PolarHBondContact O-N 3.31Å
57	K	73.8	Confident	71.5	Confident	32 Å²	32	61 Å²	61	14%	0.139	34%	0.34	C	S	.	.	H	α-helix	trans	-67.9	-44.2	177.5	-64.9	-70.4	176.1	176.5	0	111.5	E53 V54 S59 A60 I61 E74 L75 L78	E53-K57 VanDerWaalsContact O-CG 3.27Å; E53-K57 WeakPolarHBondContact O-CG 3.41Å; E53-K57 PolarHBondContact O-N 3.08Å; V54-K57 PolarHBondContact O-N 2.78Å; K57-S59 VanDerWaalsContact C-N 3.31Å; K57-S59 PolarHBondContact O-N 3.48Å; K57-A60 PolarHBondContact O-N 2.96Å; K57-A60 VanDerWaalsContact O-N 3.15Å; K57-I61 VanDerWaalsContact O-CG1 3.28Å; K57-I61 WeakPolarHBondContact O-CG1 3.44Å; K57-I61 PolarHBondContact O-N 3.48Å; K57-E74 WeakPolarHBondContact CE-OE2 3.28Å; K57-E74 IonicContact NZ-OE2 3.35Å; K57-E74 PolarHBondContact NZ-OE2 3.06Å; K57-L75 HydrophobicContact CB-CD1 4.47Å; K57-L78 HydrophobicContact CG-CD1 4.21Å
58	H	69.4	Low	71.6	Confident	19 Å²	19	64.2 Å²	64.2	9%	0.088	36%	0.357	C	S	.	.	H	α-helix	trans	-57.5	-43	172.2	-88.4	-35.4	0	0	0	112.5	V54 A60 I61 L62 L75	V54-H58 VanDerWaalsContact O-CB 3.32Å; V54-H58 WeakPolarHBondContact O-CB 3.4Å; V54-H58 PolarHBondContact O-N 3.1Å; H58-A60 VanDerWaalsContact C-N 3.35Å; H58-A60 PolarHBondContact O-N 3.24Å; H58-I61 PolarHBondContact O-N 3.36Å; H58-L62 WeakPolarHBondContact O-CG 3.38Å; H58-L62 PolarHBondContact O-N 2.85Å; H58-L75 WeakPolarHBondContact CE1-CD2 3.49Å; H58-L75 WeakPolarHBondContact ND1-CD2 3.36Å
59	S	74.1	Confident	72	Confident	74 Å²	74	68.2 Å²	68.2	52%	0.517	37%	0.367	S	S	.	.	H	α-helix	trans	-63.8	-39.9	176.1	-60.6	0	0	0	0	112.2	K55 R56 K57 A63	K55-S59 WeakPolarHBondContact O-CB 3.44Å; K55-S59 PolarHBondContact O-N 3.05Å; K55-S59 PolarHBondContact O-OG 3.07Å; R56-S59 PolarHBondContact O-N 3.22Å; K57-S59 VanDerWaalsContact C-N 3.31Å; K57-S59 PolarHBondContact O-N 3.48Å; S59-A63 WeakPolarHBondContact O-CB 3.37Å; S59-A63 PolarHBondContact O-N 3.27Å
60	A	74.3	Confident	72	Confident	49 Å²	49	69.4 Å²	69.4	41%	0.405	37%	0.37	S	S	.	.	H	α-helix	trans	-66.5	-40	177	0	0	0	0	0	112.4	R56 K57 H58 A63 S64	R56-A60 PolarHBondContact O-N 3.31Å; K57-A60 PolarHBondContact O-N 2.96Å; K57-A60 VanDerWaalsContact O-N 3.15Å; H58-A60 VanDerWaalsContact C-N 3.35Å; H58-A60 PolarHBondContact O-N 3.24Å; A60-A63 PolarHBondContact O-N 3.35Å; A60-S64 PolarHBondContact O-N 3.01Å
61	I	72.1	Confident	72.2	Confident	4 Å²	4	69.6 Å²	69.6	2%	0.021	37%	0.372	C	S	.	.	H	α-helix	trans	-64.5	-43.9	177.2	-70.7	166.2	0	0	0	110.7	K57 H58 A63 S64 P67 L75 I193	K57-I61 VanDerWaalsContact O-CG1 3.28Å; K57-I61 WeakPolarHBondContact O-CG1 3.44Å; K57-I61 PolarHBondContact O-N 3.48Å; H58-I61 PolarHBondContact O-N 3.36Å; I61-A63 VanDerWaalsContact C-N 3.31Å; I61-A63 PolarHBondContact O-N 2.95Å; I61-S64 PolarHBondContact O-N 3.11Å; I61-P67 HydrophobicContact CB-CB 4.14Å; I61-P67 HydrophobicContact CG1-CB 4.04Å; I61-P67 HydrophobicContact CG2-CB 3.79Å; I61-P67 HydrophobicContact CG2-CG 3.96Å; I61-L75 HydrophobicContact CD1-CB 4.46Å; I61-L75 HydrophobicContact CD1-CD2 3.74Å; I61-I193 HydrophobicContact CG2-CD1 4.47Å; I61-I193 HydrophobicContact CG2-CG2 3.5Å; I61-I193 VanDerWaalsContact CG2-CG2 3.5Å
62	L	71.4	Confident	72.3	Confident	114 Å²	114	71.4 Å²	71.4	60%	0.597	38%	0.377	S	S	*	.	H	α-helix	trans	-68.1	-28.6	177	-73.3	170.7	0	0	0	113.4	H58 S64 I193	H58-L62 WeakPolarHBondContact O-CG 3.38Å; H58-L62 PolarHBondContact O-N 2.85Å; L62-S64 VanDerWaalsContact C-N 3.3Å; L62-I193 HydrophobicContact CD2-CD1 3.81Å; L62-I193 HydrophobicContact CD2-CG1 3.72Å; L62-I193 HydrophobicContact CG-CD1 4Å; L62-I193 HydrophobicContact CG-CG1 4.46Å
63	A	75.1	Confident	72.6	Confident	85 Å²	85	72.7 Å²	72.7	70%	0.702	38%	0.383	S	S	*	.	H	α-helix	trans	-77.5	-15.4	178.7	0	0	0	0	0	113.2	S59 A60 I61	S59-A63 WeakPolarHBondContact O-CB 3.37Å; S59-A63 PolarHBondContact O-N 3.27Å; A60-A63 PolarHBondContact O-N 3.35Å; I61-A63 VanDerWaalsContact C-N 3.31Å; I61-A63 PolarHBondContact O-N 2.95Å
64	S	67.9	Low	72.9	Confident	44 Å²	44	71.9 Å²	71.9	31%	0.308	38%	0.38	S	S	.	.			trans	-108.8	125.7	179.5	-171.6	0	0	0	0	111.3	A60 I61 L62 N66	A60-S64 PolarHBondContact O-N 3.01Å; I61-S64 PolarHBondContact O-N 3.11Å; L62-S64 VanDerWaalsContact C-N 3.3Å; S64-N66 PolarHBondContact O-N 3.41Å; S64-N66 VanDerWaalsContact O-N 3.15Å; S64-N66 VanDerWaalsContact OG-C 3.29Å; S64-N66 PolarHBondContact OG-N 3.47Å; S64-N66 PolarHBondContact OG-O 2.87Å
65	P	62.1	Low	73.1	Confident	92 Å²	92	72.1 Å²	72.1	60%	0.597	38%	0.381	S	S	*	.	S	Bend	trans	-61.9	-18.8	171.3	-19.9	31	0	0	0	113.6
66	N	64.6	Low	73.4	Confident	110 Å²	110	73.1 Å²	73.1	59%	0.588	39%	0.387	S	S	*	.	S	Bend	trans	-139.1	84.1	176	-139.3	4.9	0	0	0	107.8	S64 V201	S64-N66 PolarHBondContact O-N 3.41Å; S64-N66 VanDerWaalsContact O-N 3.15Å; S64-N66 VanDerWaalsContact OG-C 3.29Å; S64-N66 PolarHBondContact OG-N 3.47Å; S64-N66 PolarHBondContact OG-O 2.87Å; N66-V201 VanDerWaalsContact OD1-CG2 3.29Å; N66-V201 WeakPolarHBondContact OD1-CG2 3.22Å
67	P	66.3	Low	73.7	Confident	9 Å²	9	71.9 Å²	71.9	6%	0.058	39%	0.388	C	S	.	.			trans	-62.2	138.9	178.4	27.5	-34.2	0	0	0	109.9	I61 V197	I61-P67 HydrophobicContact CB-CB 4.14Å; I61-P67 HydrophobicContact CG1-CB 4.04Å; I61-P67 HydrophobicContact CG2-CB 3.79Å; I61-P67 HydrophobicContact CG2-CG 3.96Å; P67-V197 VanDerWaalsContact CD-CG1 3.5Å; P67-V197 HydrophobicContact CG-CG1 4.04Å; P67-V197 HydrophobicContact CG-CG2 4.15Å
68	D	74.8	Confident	73.8	Confident	86 Å²	86	71.7 Å²	71.7	46%	0.46	39%	0.388	S	S	.	.			trans	-69.7	138.2	179.3	59.5	-77.5	0	0	0	110.7	K70 T71 K72	D68-K70 PolarHBondContact O-N 3.22Å; D68-K70 WeakPolarHBondContact OD2-CB 3.46Å; D68-T71 PolarHBondContact O-N 3.47Å; D68-T71 PolarHBondContact O-OG1 2.87Å; D68-T71 WeakPolarHBondContact OD1-CG2 3.44Å; D68-T71 PolarHBondContact OD1-OG1 2.91Å; D68-T71 VanDerWaalsContact OD2-CG2 3.28Å; D68-T71 WeakPolarHBondContact OD2-CG2 3.42Å; D68-T71 PolarHBondContact OD2-N 3Å; D68-K72 PolarHBondContact O-N 2.96Å
69	E	77.8	Confident	73.9	Confident	137 Å²	137	73.6 Å²	73.6	64%	0.64	40%	0.398	S	S	*	.	H	α-helix	trans	-55.7	-30.6	-176.7	-163.1	64.6	-177	0	0	112.5	K72 E73	E69-K72 PolarHBondContact O-N 3.49Å; E69-K72 IonicContact OE2-NZ 2.59Å; E69-E73 PolarHBondContact O-N 3.36Å
70	K	78.6	Confident	74	Confident	134 Å²	134	72.5 Å²	72.5	58%	0.583	39%	0.39	S	S	*	.	H	α-helix	trans	-63.4	-42.6	175.7	-174.2	-179.1	178.9	-173.1	0	112.4	D68 K72 E73 E74	D68-K70 PolarHBondContact O-N 3.22Å; D68-K70 WeakPolarHBondContact OD2-CB 3.46Å; K70-K72 VanDerWaalsContact C-N 3.29Å; K70-K72 PolarHBondContact O-N 3.39Å; K70-E73 PolarHBondContact O-N 3.27Å; K70-E74 WeakPolarHBondContact CE-OE1 3.29Å; K70-E74 WeakPolarHBondContact O-CB 3.37Å; K70-E74 VanDerWaalsContact O-CG 3.27Å; K70-E74 WeakPolarHBondContact O-CG 3.33Å; K70-E74 PolarHBondContact O-N 3.47Å
71	T	75.9	Confident	74.3	Confident	15 Å²	15	72.7 Å²	72.7	9%	0.092	38%	0.384	C	S	.	.	H	α-helix	trans	-64.9	-30.3	174.6	54	0	0	0	0	113.7	D68 L75	D68-T71 PolarHBondContact O-N 3.47Å; D68-T71 PolarHBondContact O-OG1 2.87Å; D68-T71 WeakPolarHBondContact OD1-CG2 3.44Å; D68-T71 PolarHBondContact OD1-OG1 2.91Å; D68-T71 VanDerWaalsContact OD2-CG2 3.28Å; D68-T71 WeakPolarHBondContact OD2-CG2 3.42Å; D68-T71 PolarHBondContact OD2-N 3Å; T71-L75 WeakPolarHBondContact O-CB 3.28Å; T71-L75 PolarHBondContact O-N 2.93Å; T71-L75 VanDerWaalsContact O-N 3.14Å
72	K	72.9	Confident	74.4	Confident	65 Å²	65	73 Å²	73	28%	0.283	39%	0.386	S	S	.	.	H	α-helix	trans	-70.9	-45.8	174.1	-65.8	-176.5	-176.5	174.4	0	111.4	D68 E69 K70 E74 L75 E76	D68-K72 PolarHBondContact O-N 2.96Å; E69-K72 PolarHBondContact O-N 3.49Å; E69-K72 IonicContact OE2-NZ 2.59Å; K70-K72 VanDerWaalsContact C-N 3.29Å; K70-K72 PolarHBondContact O-N 3.39Å; K72-E74 PolarHBondContact O-N 3.3Å; K72-L75 WeakPolarHBondContact O-CB 2.92Å; K72-L75 PolarHBondContact O-N 3.24Å; K72-L75 VanDerWaalsContact O-N 3.14Å; K72-E76 PolarHBondContact O-N 3.2Å
73	E	81.1	Confident	74.4	Confident	135 Å²	135	74.5 Å²	74.5	63%	0.631	39%	0.387	S	S	*	.	H	α-helix	trans	-60.8	-44.3	177.1	-169.6	176.1	-164.1	0	0	111.5	E69 K70 L75 E76 E77	E69-E73 PolarHBondContact O-N 3.36Å; K70-E73 PolarHBondContact O-N 3.27Å; E73-L75 VanDerWaalsContact C-N 3.3Å; E73-L75 PolarHBondContact O-N 3.5Å; E73-E76 PolarHBondContact O-N 2.9Å; E73-E77 WeakPolarHBondContact O-CB 3.47Å; E73-E77 PolarHBondContact O-N 3.18Å
74	E	80.7	Confident	74.6	Confident	55 Å²	55	75.7 Å²	75.7	26%	0.257	38%	0.377	S	S	.	.	H	α-helix	trans	-61.9	-35.8	174.9	-73.1	173.4	178.8	0	0	112.3	K57 K70 K72 L78	K57-E74 WeakPolarHBondContact CE-OE2 3.28Å; K57-E74 IonicContact NZ-OE2 3.35Å; K57-E74 PolarHBondContact NZ-OE2 3.06Å; K70-E74 WeakPolarHBondContact CE-OE1 3.29Å; K70-E74 WeakPolarHBondContact O-CB 3.37Å; K70-E74 VanDerWaalsContact O-CG 3.27Å; K70-E74 WeakPolarHBondContact O-CG 3.33Å; K70-E74 PolarHBondContact O-N 3.47Å; K72-E74 PolarHBondContact O-N 3.3Å; E74-L78 WeakPolarHBondContact O-CB 3.44Å; E74-L78 VanDerWaalsContact O-CG 3.25Å; E74-L78 WeakPolarHBondContact O-CG 3.49Å; E74-L78 PolarHBondContact O-N 3.47Å
75	L	76.5	Confident	74.9	Confident	6 Å²	6	74.4 Å²	74.4	3%	0.031	37%	0.367	C	S	.	.	H	α-helix	trans	-68.1	-44.2	175.6	172.9	70	0	0	0	111.6	V54 K57 H58 I61 T71 K72 E73 E77 L78 M79 I190	V54-L75 HydrophobicContact CB-CD1 4.31Å; V54-L75 HydrophobicContact CG1-CD1 3.82Å; V54-L75 HydrophobicContact CG2-CD1 4.18Å; K57-L75 HydrophobicContact CB-CD1 4.47Å; H58-L75 WeakPolarHBondContact CE1-CD2 3.49Å; H58-L75 WeakPolarHBondContact ND1-CD2 3.36Å; I61-L75 HydrophobicContact CD1-CB 4.46Å; I61-L75 HydrophobicContact CD1-CD2 3.74Å; T71-L75 WeakPolarHBondContact O-CB 3.28Å; T71-L75 PolarHBondContact O-N 2.93Å; T71-L75 VanDerWaalsContact O-N 3.14Å; K72-L75 WeakPolarHBondContact O-CB 2.92Å; K72-L75 PolarHBondContact O-N 3.24Å; K72-L75 VanDerWaalsContact O-N 3.14Å; E73-L75 VanDerWaalsContact C-N 3.3Å; E73-L75 PolarHBondContact O-N 3.5Å; L75-E77 VanDerWaalsContact C-N 3.33Å; L75-L78 PolarHBondContact O-N 3.49Å; L75-M79 HydrophobicContact CG-CE 4.45Å; L75-M79 WeakPolarHBondContact O-CG 3.01Å; L75-M79 PolarHBondContact O-N 3.18Å; L75-I190 HydrophobicContact CD2-CD1 4.17Å; L75-I190 HydrophobicContact CD2-CG1 4.47Å
76	E	76.4	Confident	75.4	Confident	125 Å²	125	70.5 Å²	70.5	58%	0.584	34%	0.343	S	S	*	.	H	α-helix	trans	-62.8	-40.2	175.9	-72.7	-176.6	-175.8	0	0	112	K72 E73 M79 S80	K72-E76 PolarHBondContact O-N 3.2Å; E73-E76 PolarHBondContact O-N 2.9Å; E76-M79 HydrophobicContact CG-CE 4.31Å; E76-M79 PolarHBondContact O-N 3.26Å; E76-S80 WeakPolarHBondContact O-CB 3.09Å; E76-S80 PolarHBondContact O-N 3.21Å
77	E	82.9	Confident	75.8	Confident	119 Å²	119	68.3 Å²	68.3	56%	0.556	33%	0.331	S	S	*	.	H	α-helix	trans	-62	-47.6	174.8	-171.6	175.3	-161.8	0	0	111.2	E73 L75 M79 S80 D81	E73-E77 WeakPolarHBondContact O-CB 3.47Å; E73-E77 PolarHBondContact O-N 3.18Å; L75-E77 VanDerWaalsContact C-N 3.33Å; E77-M79 PolarHBondContact O-N 3.33Å; E77-S80 WeakPolarHBondContact O-CB 3.3Å; E77-S80 PolarHBondContact O-N 3.38Å; E77-S80 VanDerWaalsContact O-N 3.17Å; E77-D81 PolarHBondContact O-N 2.84Å
78	L	75.1	Confident	76.4	Confident	28 Å²	28	73.5 Å²	73.5	15%	0.147	35%	0.353	C	S	.	.	H	α-helix	trans	-59.3	-43.6	176.5	-76.3	167.7	0	0	0	112.2	N50 E53 V54 K57 E74 L75 D81 I82	N50-L78 HydrophobicContact CB-CD2 4.27Å; E53-L78 HydrophobicContact CB-CD1 3.87Å; E53-L78 HydrophobicContact CB-CD2 4.27Å; V54-L78 HydrophobicContact CG2-CB 3.68Å; V54-L78 HydrophobicContact CG2-CD1 4.22Å; K57-L78 HydrophobicContact CG-CD1 4.21Å; E74-L78 WeakPolarHBondContact O-CB 3.44Å; E74-L78 VanDerWaalsContact O-CG 3.25Å; E74-L78 WeakPolarHBondContact O-CG 3.49Å; E74-L78 PolarHBondContact O-N 3.47Å; L75-L78 PolarHBondContact O-N 3.49Å; L78-D81 PolarHBondContact O-N 2.92Å; L78-I82 VanDerWaalsContact O-CG1 3.25Å; L78-I82 WeakPolarHBondContact O-CG1 3.46Å; L78-I82 PolarHBondContact O-N 3.4Å
79	M	71.1	Confident	76.4	Confident	59 Å²	59	69.7 Å²	69.7	29%	0.291	33%	0.333	S	S	.	.	H	α-helix	trans	-64	-41	175.8	-72.2	-165.7	-63.8	0	0	112.2	L75 E76 E77 D81 K83 I190	L75-M79 HydrophobicContact CG-CE 4.45Å; L75-M79 WeakPolarHBondContact O-CG 3.01Å; L75-M79 PolarHBondContact O-N 3.18Å; E76-M79 HydrophobicContact CG-CE 4.31Å; E76-M79 PolarHBondContact O-N 3.26Å; E77-M79 PolarHBondContact O-N 3.33Å; M79-D81 VanDerWaalsContact C-N 3.32Å; M79-D81 PolarHBondContact O-N 3.1Å; M79-K83 WeakPolarHBondContact O-CB 3.38Å; M79-K83 PolarHBondContact O-N 3.06Å; M79-I190 HydrophobicContact CE-CD1 3.27Å; M79-I190 HydrophobicContact SD-CD1 4.03Å
80	S	77.1	Confident	75.9	Confident	51 Å²	51	69.7 Å²	69.7	36%	0.357	33%	0.326	S	S	.	.	H	α-helix	trans	-61.1	-42.5	175.4	-170.1	0	0	0	0	111.3	E76 E77 K83 K84	E76-S80 WeakPolarHBondContact O-CB 3.09Å; E76-S80 PolarHBondContact O-N 3.21Å; E77-S80 WeakPolarHBondContact O-CB 3.3Å; E77-S80 PolarHBondContact O-N 3.38Å; E77-S80 VanDerWaalsContact O-N 3.17Å; S80-K83 PolarHBondContact O-N 2.73Å; S80-K84 VanDerWaalsContact O-CG 3.31Å; S80-K84 WeakPolarHBondContact O-CG 3.42Å; S80-K84 PolarHBondContact O-N 3.41Å; S80-K84 VanDerWaalsContact OG-CE 3.31Å; S80-K84 WeakPolarHBondContact OG-CE 3.24Å; S80-K84 PolarHBondContact OG-NZ 3.36Å
81	D	79.5	Confident	75.7	Confident	53 Å²	53	67.1 Å²	67.1	28%	0.283	33%	0.326	S	S	.	.	H	α-helix	trans	-73.7	-36.4	-179.4	-78.1	-4.5	0	0	0	113.2	E77 L78 M79 K83 K84 T85	E77-D81 PolarHBondContact O-N 2.84Å; L78-D81 PolarHBondContact O-N 2.92Å; M79-D81 VanDerWaalsContact C-N 3.32Å; M79-D81 PolarHBondContact O-N 3.1Å; D81-K83 VanDerWaalsContact C-N 3.32Å; D81-K83 PolarHBondContact O-N 3.07Å; D81-K84 PolarHBondContact O-N 2.73Å; D81-K84 IonicContact OD1-NZ 2.86Å; D81-K84 PolarHBondContact OD1-NZ 2.91Å; D81-T85 VanDerWaalsContact O-CB 3.31Å; D81-T85 WeakPolarHBondContact O-CB 3.33Å; D81-T85 PolarHBondContact O-N 3Å; D81-T85 PolarHBondContact O-OG1 3.17Å
82	I	74.7	Confident	75.5	Confident	12 Å²	12	69.2 Å²	69.2	6%	0.062	33%	0.333	C	S	.	.	H	α-helix	trans	-56.6	-49.7	167.5	-71.2	164.3	0	0	0	109.3	I47 N50 V51 V54 L78 K84 T85 A86	I47-I82 HydrophobicContact CG2-CG2 4.35Å; N50-I82 HydrophobicContact CB-CD1 3.89Å; N50-I82 HydrophobicContact CB-CG1 3.53Å; V51-I82 HydrophobicContact CG2-CD1 3.95Å; V54-I82 HydrophobicContact CG2-CD1 3.79Å; L78-I82 VanDerWaalsContact O-CG1 3.25Å; L78-I82 WeakPolarHBondContact O-CG1 3.46Å; L78-I82 PolarHBondContact O-N 3.4Å; I82-K84 PolarHBondContact O-N 2.89Å; I82-T85 PolarHBondContact O-N 3.41Å; I82-A86 WeakPolarHBondContact O-CB 3.43Å; I82-A86 PolarHBondContact O-N 3.11Å
83	K	71.4	Confident	75.2	Confident	144 Å²	144	67 Å²	67	63%	0.626	33%	0.325	S	S	*	.	H	α-helix	trans	-62	-42	-179.9	-173.7	176.1	-176.6	174.7	0	112.7	M79 S80 D81 N87	M79-K83 WeakPolarHBondContact O-CB 3.38Å; M79-K83 PolarHBondContact O-N 3.06Å; S80-K83 PolarHBondContact O-N 2.73Å; D81-K83 VanDerWaalsContact C-N 3.32Å; D81-K83 PolarHBondContact O-N 3.07Å; K83-N87 PolarHBondContact O-N 3.09Å; K83-N87 VanDerWaalsContact O-N 3.16Å; K83-N87 PolarHBondContact O-ND2 3.38Å
84	K	79	Confident	74.5	Confident	111 Å²	111	66.2 Å²	66.2	48%	0.483	32%	0.319	S	S	.	.	H	α-helix	trans	-65.5	-45.5	176.9	-70.3	169.5	-155.3	151.1	0	111.2	S80 D81 I82 N87 K88	S80-K84 VanDerWaalsContact O-CG 3.31Å; S80-K84 WeakPolarHBondContact O-CG 3.42Å; S80-K84 PolarHBondContact O-N 3.41Å; S80-K84 VanDerWaalsContact OG-CE 3.31Å; S80-K84 WeakPolarHBondContact OG-CE 3.24Å; S80-K84 PolarHBondContact OG-NZ 3.36Å; D81-K84 PolarHBondContact O-N 2.73Å; D81-K84 IonicContact OD1-NZ 2.86Å; D81-K84 PolarHBondContact OD1-NZ 2.91Å; I82-K84 PolarHBondContact O-N 2.89Å; K84-N87 PolarHBondContact O-N 3.35Å; K84-K88 WeakPolarHBondContact O-CG 3.4Å; K84-K88 PolarHBondContact O-N 3.27Å; K84-K88 VanDerWaalsContact O-N 3.08Å
85	T	75.1	Confident	73.9	Confident	17 Å²	17	66.6 Å²	66.6	10%	0.104	33%	0.328	C	S	.	.	H	α-helix	trans	-67.7	-41.4	-177.6	-52.1	0	0	0	0	111	F43 I47 D81 I82 N87 K88 V89	F43-T85 HydrophobicContact CB-CG2 3.77Å; F43-T85 HydrophobicContact CD1-CG2 4.11Å; F43-T85 HydrophobicContact CG-CG2 4.19Å; I47-T85 HydrophobicContact CD1-CG2 3.91Å; I47-T85 HydrophobicContact CG1-CG2 3.71Å; D81-T85 VanDerWaalsContact O-CB 3.31Å; D81-T85 WeakPolarHBondContact O-CB 3.33Å; D81-T85 PolarHBondContact O-N 3Å; D81-T85 PolarHBondContact O-OG1 3.17Å; I82-T85 PolarHBondContact O-N 3.41Å; T85-N87 VanDerWaalsContact C-N 3.33Å; T85-N87 PolarHBondContact O-N 3.49Å; T85-K88 WeakPolarHBondContact O-CB 3.47Å; T85-K88 PolarHBondContact O-N 3.48Å; T85-K88 VanDerWaalsContact O-N 3.1Å; T85-V89 WeakPolarHBondContact O-CG2 3.29Å; T85-V89 PolarHBondContact O-N 3Å
86	A	71.1	Confident	73.3	Confident	10 Å²	10	66.7 Å²	66.7	8%	0.083	33%	0.328	C	S	.	.	H	α-helix	trans	-54.8	-44.9	170.9	0	0	0	0	0	112.8	I47 I82 K88 V89 R90 M179	I47-A86 HydrophobicContact CD1-CB 4.41Å; I82-A86 WeakPolarHBondContact O-CB 3.43Å; I82-A86 PolarHBondContact O-N 3.11Å; A86-K88 VanDerWaalsContact C-N 3.35Å; A86-K88 PolarHBondContact O-N 2.93Å; A86-V89 PolarHBondContact O-N 3.08Å; A86-R90 WeakPolarHBondContact O-CB 3.34Å; A86-R90 PolarHBondContact O-N 3.35Å; A86-M179 HydrophobicContact CB-CE 3.34Å; A86-M179 HydrophobicContact CB-SD 3.66Å
87	N	74.1	Confident	72.4	Confident	64 Å²	64	66.2 Å²	66.2	34%	0.342	33%	0.326	S	S	.	.	H	α-helix	trans	-67.2	-34.2	177.3	-79.7	-59.2	0	0	0	112.8	K83 K84 T85 R90 S91	K83-N87 PolarHBondContact O-N 3.09Å; K83-N87 VanDerWaalsContact O-N 3.16Å; K83-N87 PolarHBondContact O-ND2 3.38Å; K84-N87 PolarHBondContact O-N 3.35Å; T85-N87 VanDerWaalsContact C-N 3.33Å; T85-N87 PolarHBondContact O-N 3.49Å; N87-R90 PolarHBondContact OD1-NH2 2.92Å; N87-R90 VanDerWaalsContact OD1-NH2 3.15Å; N87-S91 WeakPolarHBondContact O-CB 3.37Å; N87-S91 PolarHBondContact O-N 2.88Å
88	K	79.4	Confident	71.2	Confident	118 Å²	118	67.3 Å²	67.3	51%	0.513	33%	0.331	S	S	.	.	H	α-helix	trans	-65.9	-46.8	173.6	-70.6	176.7	-179.9	179	0	111.4	K84 T85 A86 R90 S91 K92	K84-K88 WeakPolarHBondContact O-CG 3.4Å; K84-K88 PolarHBondContact O-N 3.27Å; K84-K88 VanDerWaalsContact O-N 3.08Å; T85-K88 WeakPolarHBondContact O-CB 3.47Å; T85-K88 PolarHBondContact O-N 3.48Å; T85-K88 VanDerWaalsContact O-N 3.1Å; A86-K88 VanDerWaalsContact C-N 3.35Å; A86-K88 PolarHBondContact O-N 2.93Å; K88-R90 VanDerWaalsContact C-N 3.35Å; K88-R90 PolarHBondContact O-N 2.91Å; K88-S91 PolarHBondContact O-N 3.2Å; K88-K92 PolarHBondContact O-N 2.88Å
89	V	73.2	Confident	70.5	Confident	6 Å²	6	67.1 Å²	67.1	4%	0.036	33%	0.332	C	S	.	.	H	α-helix	trans	-55.1	-51.5	174.1	170	0	0	0	0	109.9	I40 F43 I47 T85 A86 S91 K92 L93 L172	I40-V89 HydrophobicContact CG2-CG1 4.38Å; F43-V89 HydrophobicContact CB-CG2 3.34Å; F43-V89 HydrophobicContact CD2-CG2 4.13Å; F43-V89 HydrophobicContact CG-CG2 4.14Å; I47-V89 HydrophobicContact CD1-CG2 4.29Å; T85-V89 WeakPolarHBondContact O-CG2 3.29Å; T85-V89 PolarHBondContact O-N 3Å; A86-V89 PolarHBondContact O-N 3.08Å; V89-S91 VanDerWaalsContact C-N 3.34Å; V89-S91 PolarHBondContact O-N 3.13Å; V89-K92 PolarHBondContact O-N 3.07Å; V89-L93 HydrophobicContact CG1-CD1 3.72Å; V89-L93 VanDerWaalsContact O-CB 3.3Å; V89-L93 WeakPolarHBondContact O-CB 3.28Å; V89-L93 PolarHBondContact O-N 3.22Å; V89-L172 HydrophobicContact CG1-CD1 4.01Å
90	R	67.8	Low	70	Confident	136 Å²	136	70.3 Å²	70.3	51%	0.513	35%	0.35	S	S	.	.	H	α-helix	trans	-55.9	-44.8	176.4	-172.5	-174.7	70.3	-177.9	-0.8	112.9	A86 N87 K88 L93 K94 F176	A86-R90 WeakPolarHBondContact O-CB 3.34Å; A86-R90 PolarHBondContact O-N 3.35Å; N87-R90 PolarHBondContact OD1-NH2 2.92Å; N87-R90 VanDerWaalsContact OD1-NH2 3.15Å; K88-R90 VanDerWaalsContact C-N 3.35Å; K88-R90 PolarHBondContact O-N 2.91Å; R90-L93 WeakPolarHBondContact O-CB 3.48Å; R90-K94 VanDerWaalsContact O-CB 3.31Å; R90-K94 WeakPolarHBondContact O-CB 3.42Å; R90-K94 PolarHBondContact O-N 3.3Å; R90-F176 HydrophobicContact CB-CE2 4.04Å; R90-F176 HydrophobicContact CG-CE2 4.34Å; R90-F176 HydrophobicContact CG-CZ 4.44Å
91	S	74.1	Confident	69.7	Low	81 Å²	81	69.3 Å²	69.3	57%	0.566	34%	0.339	S	S	*	.	H	α-helix	trans	-65.8	-40.5	-179	-166.6	0	0	0	0	112	N87 K88 V89 K94 S95	N87-S91 WeakPolarHBondContact O-CB 3.37Å; N87-S91 PolarHBondContact O-N 2.88Å; K88-S91 PolarHBondContact O-N 3.2Å; V89-S91 VanDerWaalsContact C-N 3.34Å; V89-S91 PolarHBondContact O-N 3.13Å; S91-K94 PolarHBondContact O-N 2.87Å; S91-S95 PolarHBondContact O-N 3.45Å; S91-S95 VanDerWaalsContact O-N 3.09Å; S91-S95 PolarHBondContact O-OG 2.64Å
92	K	73.3	Confident	69.5	Low	58 Å²	58	69.4 Å²	69.4	25%	0.252	34%	0.335	S	S	.	.	H	α-helix	trans	-73.1	-40.8	178.8	-76.4	-174.3	177.4	-93.4	0	112.5	E39 I40 F43 K88 V89 K94 S95 I96	E39-K92 WeakPolarHBondContact OE1-CE 3.29Å; E39-K92 IonicContact OE1-NZ 2.68Å; E39-K92 PolarHBondContact OE1-NZ 3.47Å; E39-K92 WeakPolarHBondContact OE2-CE 3.49Å; E39-K92 IonicContact OE2-NZ 2.91Å; E39-K92 PolarHBondContact OE2-NZ 3.49Å; I40-K92 HydrophobicContact CD1-CB 3.9Å; I40-K92 HydrophobicContact CG1-CB 3.91Å; I40-K92 HydrophobicContact CG1-CD 4.35Å; F43-K92 HydrophobicContact CE2-CD 3.84Å; K88-K92 PolarHBondContact O-N 2.88Å; V89-K92 PolarHBondContact O-N 3.07Å; K92-K94 VanDerWaalsContact C-N 3.31Å; K92-K94 PolarHBondContact O-N 3.34Å; K92-S95 WeakPolarHBondContact CA-OG 3.33Å; K92-S95 PolarHBondContact O-N 2.9Å; K92-S95 PolarHBondContact O-OG 3.3Å; K92-I96 VanDerWaalsContact O-CG1 3.29Å; K92-I96 WeakPolarHBondContact O-CG1 2.98Å; K92-I96 PolarHBondContact O-N 3.04Å
93	L	66.3	Low	69.7	Low	19 Å²	19	74.3 Å²	74.3	10%	0.099	36%	0.358	C	S	.	.	H	α-helix	trans	-49.8	-53.2	166.6	-102.3	155.2	0	0	0	111.9	V89 R90 S95 I96 E97 L172	V89-L93 HydrophobicContact CG1-CD1 3.72Å; V89-L93 VanDerWaalsContact O-CB 3.3Å; V89-L93 WeakPolarHBondContact O-CB 3.28Å; V89-L93 PolarHBondContact O-N 3.22Å; R90-L93 WeakPolarHBondContact O-CB 3.48Å; L93-S95 VanDerWaalsContact C-N 3.28Å; L93-S95 PolarHBondContact O-N 3.39Å; L93-I96 CarbonylContact O-C 3.54Å; L93-I96 WeakPolarHBondContact O-CA 3.29Å; L93-I96 WeakPolarHBondContact O-CB 3.32Å; L93-I96 PolarHBondContact O-N 2.85Å; L93-E97 WeakPolarHBondContact O-CB 3.41Å; L93-E97 PolarHBondContact O-N 2.59Å; L93-L172 HydrophobicContact CD1-CB 4.48Å; L93-L172 HydrophobicContact CD1-CD1 3.92Å; L93-L172 HydrophobicContact CD1-CD2 3.39Å; L93-L172 HydrophobicContact CD1-CG 3.28Å; L93-L172 HydrophobicContact CD2-CB 4.1Å; L93-L172 HydrophobicContact CD2-CD2 3.28Å; L93-L172 HydrophobicContact CD2-CG 3.6Å; L93-L172 HydrophobicContact CG-CD2 3.21Å; L93-L172 HydrophobicContact CG-CG 3.65Å
94	K	65.6	Low	70	Confident	119 Å²	119	76.1 Å²	76.1	52%	0.517	36%	0.361	S	S	.	.	H	α-helix	trans	-62.2	-38.1	-178.2	-173.9	174.6	179.9	178.4	0	111.4	R90 S91 K92 I96 Q98	R90-K94 VanDerWaalsContact O-CB 3.31Å; R90-K94 WeakPolarHBondContact O-CB 3.42Å; R90-K94 PolarHBondContact O-N 3.3Å; S91-K94 PolarHBondContact O-N 2.87Å; K92-K94 VanDerWaalsContact C-N 3.31Å; K92-K94 PolarHBondContact O-N 3.34Å; K94-I96 VanDerWaalsContact C-N 3.31Å; K94-I96 PolarHBondContact O-N 2.72Å; K94-Q98 VanDerWaalsContact CE-OE1 3.27Å; K94-Q98 HydrophobicContact CG-CG 4.28Å; K94-Q98 WeakPolarHBondContact O-CB 3.43Å; K94-Q98 VanDerWaalsContact O-CG 3.28Å; K94-Q98 WeakPolarHBondContact O-CG 3.24Å; K94-Q98 PolarHBondContact O-N 2.94Å
95	S	67.4	Low	70.1	Confident	63 Å²	63	71 Å²	71	44%	0.441	34%	0.339	S	S	.	.	H	α-helix	trans	-67.9	-29.7	173.5	55.5	0	0	0	0	113.5	S91 K92 L93 S99	S91-S95 PolarHBondContact O-N 3.45Å; S91-S95 VanDerWaalsContact O-N 3.09Å; S91-S95 PolarHBondContact O-OG 2.64Å; K92-S95 WeakPolarHBondContact CA-OG 3.33Å; K92-S95 PolarHBondContact O-N 2.9Å; K92-S95 PolarHBondContact O-OG 3.3Å; L93-S95 VanDerWaalsContact C-N 3.28Å; L93-S95 PolarHBondContact O-N 3.39Å; S95-S99 WeakPolarHBondContact O-CA 3.26Å; S95-S99 WeakPolarHBondContact O-CB 3.36Å; S95-S99 PolarHBondContact O-N 3.41Å
96	I	64.4	Low	70.5	Confident	8 Å²	8	70.8 Å²	70.8	4%	0.041	34%	0.337	C	S	.	.	H	α-helix	trans	-77.9	-40.8	176.2	-69.4	171.3	0	0	0	111.4	F33 Q36 I40 K92 L93 K94 S99 L165	F33-I96 HydrophobicContact CE2-CG2 3.89Å; Q36-I96 HydrophobicContact CB-CD1 4.01Å; I40-I96 HydrophobicContact CD1-CD1 3.27Å; K92-I96 VanDerWaalsContact O-CG1 3.29Å; K92-I96 WeakPolarHBondContact O-CG1 2.98Å; K92-I96 PolarHBondContact O-N 3.04Å; L93-I96 CarbonylContact O-C 3.54Å; L93-I96 WeakPolarHBondContact O-CA 3.29Å; L93-I96 WeakPolarHBondContact O-CB 3.32Å; L93-I96 PolarHBondContact O-N 2.85Å; K94-I96 VanDerWaalsContact C-N 3.31Å; K94-I96 PolarHBondContact O-N 2.72Å; I96-S99 WeakPolarHBondContact O-CB 3.02Å; I96-S99 PolarHBondContact O-N 2.81Å; I96-S99 VanDerWaalsContact O-N 3.09Å; I96-S99 PolarHBondContact O-OG 3.36Å; I96-L165 HydrophobicContact CG2-CD1 3.58Å
97	E	58.4	Low	71.2	Confident	114 Å²	114	72 Å²	72	53%	0.533	35%	0.35	S	S	.	.	H	α-helix	trans	-69.7	-42.7	177.4	-176.9	-179.5	-160	0	0	111.3	L93 S99 I169	L93-E97 WeakPolarHBondContact O-CB 3.41Å; L93-E97 PolarHBondContact O-N 2.59Å; E97-S99 PolarHBondContact O-N 3.04Å; E97-I169 HydrophobicContact CB-CD1 3.97Å; E97-I169 HydrophobicContact CG-CD1 4.15Å; E97-I169 HydrophobicContact CG-CG2 4.48Å
98	Q	56.2	Low	71.7	Confident	143 Å²	143	74.9 Å²	74.9	67%	0.668	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	5.4	169.3	-66.5	-168.3	-82.8	0	0	112.8	K94 D100	K94-Q98 VanDerWaalsContact CE-OE1 3.27Å; K94-Q98 HydrophobicContact CG-CG 4.28Å; K94-Q98 WeakPolarHBondContact O-CB 3.43Å; K94-Q98 VanDerWaalsContact O-CG 3.28Å; K94-Q98 WeakPolarHBondContact O-CG 3.24Å; K94-Q98 PolarHBondContact O-N 2.94Å; Q98-D100 PolarHBondContact O-N 3.25Å
99	S	60.8	Low	71.9	Confident	23 Å²	23	69.3 Å²	69.3	16%	0.161	33%	0.332	C	S	.	.			trans	-63.9	140.5	-166.6	67.3	0	0	0	0	111.8	S95 I96 E97 Y101 R102	S95-S99 WeakPolarHBondContact O-CA 3.26Å; S95-S99 WeakPolarHBondContact O-CB 3.36Å; S95-S99 PolarHBondContact O-N 3.41Å; I96-S99 WeakPolarHBondContact O-CB 3.02Å; I96-S99 PolarHBondContact O-N 2.81Å; I96-S99 VanDerWaalsContact O-N 3.09Å; I96-S99 PolarHBondContact O-OG 3.36Å; E97-S99 PolarHBondContact O-N 3.04Å; S99-Y101 PolarHBondContact O-N 3.31Å; S99-Y101 WeakPolarHBondContact OG-CB 3.34Å; S99-Y101 PolarHBondContact OG-N 3.2Å; S99-R102 PolarHBondContact O-N 2.93Å
100	D	62	Low	72.6	Confident	127 Å²	127	71.6 Å²	71.6	68%	0.679	34%	0.343	S	S	*	.	H	α-helix	trans	-43.8	-19.9	157.4	-69.4	-35.7	0	0	0	112.3	Q98 R104	Q98-D100 PolarHBondContact O-N 3.25Å; D100-R104 WeakPolarHBondContact O-CA 3.43Å; D100-R104 WeakPolarHBondContact O-CB 3.42Å; D100-R104 VanDerWaalsContact O-CD 3.28Å; D100-R104 WeakPolarHBondContact O-CD 3.34Å; D100-R104 WeakPolarHBondContact O-CG 3.5Å; D100-R104 PolarHBondContact O-N 2.92Å
101	Y	69	Low	73.4	Confident	30 Å²	30	73.6 Å²	73.6	12%	0.118	35%	0.35	C	S	.	.	H	α-helix	trans	-70.6	-45	-179	-177.5	-98.1	0	0	0	113.4	F29 M30 S99 E103 R104 C105 E161 L165	F29-Y101 HydrophobicContact CZ-CE2 4.02Å; M30-Y101 HydrophobicContact CG-CE2 4.36Å; M30-Y101 HydrophobicContact SD-CD2 4.25Å; M30-Y101 HydrophobicContact SD-CE1 4.03Å; M30-Y101 HydrophobicContact SD-CE2 3.37Å; M30-Y101 WeakPolarHBondContact SD-CE2 3.49Å; M30-Y101 PolarHBondContact SD-OH 3.07Å; S99-Y101 PolarHBondContact O-N 3.31Å; S99-Y101 WeakPolarHBondContact OG-CB 3.34Å; S99-Y101 PolarHBondContact OG-N 3.2Å; Y101-E103 VanDerWaalsContact C-N 3.32Å; Y101-R104 PolarHBondContact O-N 3.44Å; Y101-C105 WeakPolarHBondContact O-CB 3.18Å; Y101-C105 PolarHBondContact O-N 3.22Å; Y101-C105 PolarHBondContact O-SG 2.98Å; Y101-E161 VanDerWaalsContact OH-CB 3.22Å; Y101-E161 WeakPolarHBondContact OH-CB 3.46Å; Y101-E161 VanDerWaalsContact OH-CD 3.29Å; Y101-E161 PolarHBondContact OH-OE2 3.45Å; Y101-L165 HydrophobicContact CD1-CD2 4.07Å
102	R	76.2	Confident	73.8	Confident	54 Å²	54	71.2 Å²	71.2	20%	0.204	33%	0.33	C	S	.	.	H	α-helix	trans	-62.7	-44.6	174.3	-171.1	-179.9	-169.1	-87	1.4	110.1	S99 C105 K106 E126 L165 E166	S99-R102 PolarHBondContact O-N 2.93Å; R102-C105 PolarHBondContact O-N 3.42Å; R102-K106 VanDerWaalsContact O-CB 3.26Å; R102-K106 WeakPolarHBondContact O-CB 3.42Å; R102-K106 PolarHBondContact O-N 3.43Å; R102-E126 IonicContact CZ-OE1 2.62Å; R102-E126 IonicContact NH1-OE1 3.8Å; R102-E126 PolarHBondContact NH1-OE1 3.23Å; R102-E126 IonicContact NH1-OE2 3.76Å; R102-E126 PolarHBondContact NH1-OE2 3.45Å; R102-E126 IonicContact NH2-OE1 2.86Å; R102-E126 PolarHBondContact NH2-OE1 2.88Å; R102-L165 HydrophobicContact CB-CD2 4.18Å; R102-E166 IonicContact CZ-OE1 3.99Å; R102-E166 IonicContact NE-OE1 3.74Å; R102-E166 PolarHBondContact NE-OE1 3.41Å; R102-E166 IonicContact NH2-OE1 3.34Å; R102-E166 PolarHBondContact NH2-OE1 3.41Å; R102-E166 VanDerWaalsContact NH2-OE1 3.13Å
103	E	78.1	Confident	74.3	Confident	115 Å²	115	68.5 Å²	68.5	54%	0.537	32%	0.318	S	S	.	.	H	α-helix	trans	-65.4	-38.9	178.4	-162.3	65.2	-158	0	0	112.2	Y101 G107	Y101-E103 VanDerWaalsContact C-N 3.32Å; E103-G107 PolarHBondContact O-N 3.21Å
104	R	79	Confident	75.1	Confident	183 Å²	183	72.4 Å²	72.4	69%	0.691	34%	0.336	S	S	*	.	H	α-helix	trans	-71.3	-38.1	176	-75.2	168.7	82.7	-170.5	6.1	112	D100 Y101 G107 R108	D100-R104 WeakPolarHBondContact O-CA 3.43Å; D100-R104 WeakPolarHBondContact O-CB 3.42Å; D100-R104 VanDerWaalsContact O-CD 3.28Å; D100-R104 WeakPolarHBondContact O-CD 3.34Å; D100-R104 WeakPolarHBondContact O-CG 3.5Å; D100-R104 PolarHBondContact O-N 2.92Å; Y101-R104 PolarHBondContact O-N 3.44Å; R104-G107 PolarHBondContact O-N 3.43Å; R104-R108 WeakPolarHBondContact O-CB 3.35Å; R104-R108 WeakPolarHBondContact O-CG 3.48Å; R104-R108 PolarHBondContact O-N 2.89Å
105	C	79.9	Confident	75.9	Confident	4 Å²	4	70.9 Å²	70.9	3%	0.027	33%	0.333	C	S	.	.	H	α-helix	trans	-65.9	-45.2	173.7	-71.6	0	0	0	0	110.4	Y101 R102 G107 R108 I109 I162	Y101-C105 WeakPolarHBondContact O-CB 3.18Å; Y101-C105 PolarHBondContact O-N 3.22Å; Y101-C105 PolarHBondContact O-SG 2.98Å; R102-C105 PolarHBondContact O-N 3.42Å; C105-G107 PolarHBondContact O-N 3.09Å; C105-R108 PolarHBondContact O-N 3.03Å; C105-I109 VanDerWaalsContact O-CG1 3.28Å; C105-I109 WeakPolarHBondContact O-CG1 3.49Å; C105-I109 PolarHBondContact O-N 3.49Å; C105-I162 HydrophobicContact CB-CD1 3.75Å; C105-I162 HydrophobicContact CB-CG1 3.79Å
106	K	84.6	Confident	76.4	Confident	11 Å²	11	69 Å²	69	5%	0.048	32%	0.318	C	S	.	.	H	α-helix	trans	-56.1	-50.4	172.1	-175.6	177.5	179.4	173.6	0	111.4	R102 R108 I109 Q110 S122 L125 E126 L129	R102-K106 VanDerWaalsContact O-CB 3.26Å; R102-K106 WeakPolarHBondContact O-CB 3.42Å; R102-K106 PolarHBondContact O-N 3.43Å; K106-R108 VanDerWaalsContact C-N 3.31Å; K106-R108 PolarHBondContact O-N 2.91Å; K106-I109 PolarHBondContact O-N 3.32Å; K106-Q110 WeakPolarHBondContact O-CB 3.43Å; K106-Q110 PolarHBondContact O-N 2.64Å; K106-S122 VanDerWaalsContact CE-O 3.27Å; K106-S122 WeakPolarHBondContact CE-O 3.4Å; K106-S122 WeakPolarHBondContact CE-OG 3.46Å; K106-S122 PolarHBondContact NZ-O 3.21Å; K106-S122 PolarHBondContact NZ-OG 2.94Å; K106-L125 HydrophobicContact CG-CD2 3.55Å; K106-L125 HydrophobicContact CG-CG 4.1Å; K106-L125 WeakPolarHBondContact O-CD2 3.39Å; K106-E126 WeakPolarHBondContact CE-OE2 3.38Å; K106-E126 IonicContact NZ-OE2 3.47Å; K106-E126 PolarHBondContact NZ-OE2 2.97Å; K106-L129 HydrophobicContact CG-CD1 4.3Å
107	G	85	Confident	77.1	Confident	36 Å²	36	71.9 Å²	71.9	37%	0.371	35%	0.351	S	S	.	.	H	α-helix	trans	-61.7	-34.2	177.3	0	0	0	0	0	113.8	E103 R104 C105 R111	E103-G107 PolarHBondContact O-N 3.21Å; R104-G107 PolarHBondContact O-N 3.43Å; C105-G107 PolarHBondContact O-N 3.09Å; G107-R111 PolarHBondContact O-N 3.32Å; G107-R111 VanDerWaalsContact O-N 3.1Å
108	R	84.3	Confident	78.1	Confident	125 Å²	125	70.7 Å²	70.7	47%	0.472	34%	0.341	S	S	.	.	H	α-helix	trans	-69.1	-44.6	172.7	-81.6	-167.8	162.8	-133.6	3.6	112.5	R104 C105 K106 Q110 R111 Q112 E154	R104-R108 WeakPolarHBondContact O-CB 3.35Å; R104-R108 WeakPolarHBondContact O-CG 3.48Å; R104-R108 PolarHBondContact O-N 2.89Å; C105-R108 PolarHBondContact O-N 3.03Å; K106-R108 VanDerWaalsContact C-N 3.31Å; K106-R108 PolarHBondContact O-N 2.91Å; R108-Q110 VanDerWaalsContact C-N 3.3Å; R108-Q110 PolarHBondContact O-N 2.75Å; R108-R111 PolarHBondContact O-N 3.09Å; R108-Q112 WeakPolarHBondContact O-CG 3.4Å; R108-Q112 PolarHBondContact O-N 3.27Å; R108-E154 IonicContact CZ-OE1 3.66Å; R108-E154 IonicContact NH1-OE1 2.73Å; R108-E154 PolarHBondContact NH1-OE1 3.48Å
109	I	85.4	Confident	79.3	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-60.8	-43.9	176.3	-66.7	166	0	0	0	109.8	C105 K106 R111 Q112 L113 L125 L129 F137 I155 R158 I162	C105-I109 VanDerWaalsContact O-CG1 3.28Å; C105-I109 WeakPolarHBondContact O-CG1 3.49Å; C105-I109 PolarHBondContact O-N 3.49Å; K106-I109 PolarHBondContact O-N 3.32Å; I109-R111 VanDerWaalsContact C-N 3.34Å; I109-R111 PolarHBondContact O-N 2.82Å; I109-Q112 PolarHBondContact O-N 3.13Å; I109-L113 HydrophobicContact CG2-CD1 3.97Å; I109-L113 HydrophobicContact CG2-CG 4.44Å; I109-L113 WeakPolarHBondContact O-CG 3.29Å; I109-L113 PolarHBondContact O-N 3.39Å; I109-L125 HydrophobicContact CB-CD1 4.49Å; I109-L125 HydrophobicContact CG2-CD1 3.66Å; I109-L129 HydrophobicContact CD1-CD2 4.03Å; I109-F137 HydrophobicContact CG2-CD1 4.13Å; I109-F137 HydrophobicContact CG2-CE1 3.88Å; I109-I155 HydrophobicContact CG1-CG2 4.38Å; I109-I155 HydrophobicContact CG2-CG1 4.2Å; I109-I155 HydrophobicContact CG2-CG2 3.85Å; I109-R158 HydrophobicContact CD1-CB 3.84Å; I109-R158 HydrophobicContact CG1-CB 3.73Å; I109-R158 HydrophobicContact CG1-CG 4.44Å; I109-I162 HydrophobicContact CD1-CD1 3.79Å
110	Q	86.7	Confident	80.4	Confident	55 Å²	55	69.1 Å²	69.1	26%	0.257	34%	0.34	S	S	.	.	H	α-helix	trans	-56.7	-47.6	175.8	-168	175.6	-24.3	0	0	111.7	K106 R108 Q112 L113 E114 L125	K106-Q110 WeakPolarHBondContact O-CB 3.43Å; K106-Q110 PolarHBondContact O-N 2.64Å; R108-Q110 VanDerWaalsContact C-N 3.3Å; R108-Q110 PolarHBondContact O-N 2.75Å; Q110-Q112 PolarHBondContact O-N 2.7Å; Q110-L113 WeakPolarHBondContact O-CB 3.47Å; Q110-L113 PolarHBondContact O-N 2.86Å; Q110-E114 WeakPolarHBondContact O-CG 3.27Å; Q110-E114 PolarHBondContact O-N 2.93Å; Q110-L125 HydrophobicContact CB-CD2 3.66Å; Q110-L125 HydrophobicContact CG-CD2 4.27Å
111	R	84.8	Confident	81.7	Confident	177 Å²	177	66.7 Å²	66.7	67%	0.668	33%	0.33	S	S	*	.	H	α-helix	trans	-64.9	-37.8	178.5	-169.1	170.2	-175.2	128.1	-0	112.8	G107 R108 I109 E114 I115	G107-R111 PolarHBondContact O-N 3.32Å; G107-R111 VanDerWaalsContact O-N 3.1Å; R108-R111 PolarHBondContact O-N 3.09Å; I109-R111 VanDerWaalsContact C-N 3.34Å; I109-R111 PolarHBondContact O-N 2.82Å; R111-E114 PolarHBondContact O-N 3.44Å; R111-I115 WeakPolarHBondContact O-CG1 3.47Å; R111-I115 PolarHBondContact O-N 3.32Å
112	Q	81.8	Confident	82.4	Confident	32 Å²	32	68.1 Å²	68.1	15%	0.15	35%	0.345	C	S	.	.	H	α-helix	trans	-68.2	-36.4	176	-70.3	-58.4	-18.3	0	0	111.9	R108 I109 Q110 I115 T116 A151 E154 I155	R108-Q112 WeakPolarHBondContact O-CG 3.4Å; R108-Q112 PolarHBondContact O-N 3.27Å; I109-Q112 PolarHBondContact O-N 3.13Å; Q110-Q112 PolarHBondContact O-N 2.7Å; Q112-I115 PolarHBondContact O-N 3.18Å; Q112-T116 WeakPolarHBondContact O-CG2 3.2Å; Q112-T116 PolarHBondContact O-N 3.02Å; Q112-A151 HydrophobicContact CB-CB 4.31Å; Q112-A151 VanDerWaalsContact OE1-CB 3.27Å; Q112-E154 HydrophobicContact CG-CB 4.44Å; Q112-E154 HydrophobicContact CG-CG 4.46Å; Q112-E154 PolarHBondContact NE2-OE2 2.86Å; Q112-I155 HydrophobicContact CB-CD1 3.72Å; Q112-I155 HydrophobicContact CB-CG1 3.57Å; Q112-I155 HydrophobicContact CG-CG1 4.36Å
113	L	83.6	Confident	82.8	Confident	1 Å²	1	72.8 Å²	72.8	1%	0.005	37%	0.369	C	S	.	.	H	α-helix	trans	-62.8	-42.9	172	-72	166.5	0	0	0	111.4	I109 Q110 I115 T116 G117 R118 T120 L125 I141 I155	I109-L113 HydrophobicContact CG2-CD1 3.97Å; I109-L113 HydrophobicContact CG2-CG 4.44Å; I109-L113 WeakPolarHBondContact O-CG 3.29Å; I109-L113 PolarHBondContact O-N 3.39Å; Q110-L113 WeakPolarHBondContact O-CB 3.47Å; Q110-L113 PolarHBondContact O-N 2.86Å; L113-I115 VanDerWaalsContact C-N 3.34Å; L113-I115 PolarHBondContact O-N 2.81Å; L113-T116 PolarHBondContact O-N 2.73Å; L113-T116 VanDerWaalsContact O-N 3.13Å; L113-T116 PolarHBondContact O-OG1 3.43Å; L113-G117 PolarHBondContact O-N 3.4Å; L113-R118 CarbonylContact C-O 3.14Å; L113-R118 PolarHBondContact O-N 3.26Å; L113-R118 VanDerWaalsContact O-O 3.1Å; L113-T120 HydrophobicContact CD1-CG2 4.47Å; L113-L125 HydrophobicContact CD1-CD1 3.81Å; L113-I141 HydrophobicContact CD2-CD1 4.28Å; L113-I155 HydrophobicContact CD2-CD1 3.98Å; L113-I155 HydrophobicContact CG-CD1 4Å
114	E	84.3	Confident	83.1	Confident	100 Å²	100	72.1 Å²	72.1	47%	0.467	37%	0.366	S	S	.	.	H	α-helix	trans	-60.2	-40.2	174.8	-72	172.9	-173.2	0	0	112.5	Q110 R111 T116 G117 R118	Q110-E114 WeakPolarHBondContact O-CG 3.27Å; Q110-E114 PolarHBondContact O-N 2.93Å; R111-E114 PolarHBondContact O-N 3.44Å; E114-T116 VanDerWaalsContact C-N 3.26Å; E114-T116 PolarHBondContact O-N 3Å; E114-G117 PolarHBondContact O-N 3.01Å; E114-R118 PolarHBondContact N-O 3.24Å
115	I	81.4	Confident	83.5	Confident	88 Å²	88	63.4 Å²	63.4	45%	0.451	33%	0.333	S	S	.	.	H	α-helix	trans	-60.9	-36.7	175.8	-70.8	164.7	0	0	0	111.4	R111 Q112 L113 G117 I147	R111-I115 WeakPolarHBondContact O-CG1 3.47Å; R111-I115 PolarHBondContact O-N 3.32Å; Q112-I115 PolarHBondContact O-N 3.18Å; L113-I115 VanDerWaalsContact C-N 3.34Å; L113-I115 PolarHBondContact O-N 2.81Å; I115-G117 PolarHBondContact O-N 2.85Å; I115-I147 HydrophobicContact CG2-CG2 3.77Å
116	T	78.9	Confident	83.8	Confident	22 Å²	22	64.9 Å²	64.9	14%	0.135	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	1.8	176.4	67.6	0	0	0	0	114.2	Q112 L113 E114 I141 A151	Q112-T116 WeakPolarHBondContact O-CG2 3.2Å; Q112-T116 PolarHBondContact O-N 3.02Å; L113-T116 PolarHBondContact O-N 2.73Å; L113-T116 VanDerWaalsContact O-N 3.13Å; L113-T116 PolarHBondContact O-OG1 3.43Å; E114-T116 VanDerWaalsContact C-N 3.26Å; E114-T116 PolarHBondContact O-N 3Å; T116-I141 HydrophobicContact CG2-CD1 3.85Å; T116-I141 HydrophobicContact CG2-CG1 4.27Å; T116-I141 HydrophobicContact CG2-CG2 3.9Å; T116-A151 HydrophobicContact CG2-CB 3.56Å
117	G	77.9	Confident	83.8	Confident	70 Å²	70	69 Å²	69	72%	0.722	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.4	11.4	-179.9	0	0	0	0	0	114	L113 E114 I115	L113-G117 PolarHBondContact O-N 3.4Å; E114-G117 PolarHBondContact O-N 3.01Å; I115-G117 PolarHBondContact O-N 2.85Å
118	R	80.5	Confident	83.8	Confident	89 Å²	89	67.8 Å²	67.8	34%	0.336	35%	0.347	S	S	.	.			trans	-107.1	104	178.5	-175.9	176.2	174.2	138.6	1.4	110.8	L113 E114 T120 S139	L113-R118 CarbonylContact C-O 3.14Å; L113-R118 PolarHBondContact O-N 3.26Å; L113-R118 VanDerWaalsContact O-O 3.1Å; E114-R118 PolarHBondContact N-O 3.24Å; R118-T120 PolarHBondContact O-N 3.44Å; R118-S139 PolarHBondContact NH1-O 3.37Å
119	T	81.6	Confident	83.8	Confident	124 Å²	124	62.1 Å²	62.1	76%	0.761	33%	0.326	S	S	*	.			trans	-73.3	124.6	168.5	48.1	0	0	0	0	109.6
120	T	83.8	Confident	83.7	Confident	8 Å²	8	69 Å²	69	5%	0.049	36%	0.358	C	S	.	.			trans	-129.3	130.9	-179.6	-48.6	0	0	0	0	108.3	L113 R118 E124 L125 M128	L113-T120 HydrophobicContact CD1-CG2 4.47Å; R118-T120 PolarHBondContact O-N 3.44Å; T120-E124 HydrophobicContact CG2-CB 3.71Å; T120-L125 HydrophobicContact CG2-CB 3.98Å; T120-M128 HydrophobicContact CG2-SD 4.1Å
121	T	88.6	Confident	83.5	Confident	76 Å²	76	68.9 Å²	68.9	47%	0.466	36%	0.363	S	S	.	.			trans	-74	163.7	176	61.7	0	0	0	0	111.2	E123 E124 L125	T121-E123 PolarHBondContact O-N 3.35Å; T121-E124 WeakPolarHBondContact CB-OE2 3.44Å; T121-E124 WeakPolarHBondContact CG2-OE2 3.3Å; T121-E124 PolarHBondContact N-OE2 2.72Å; T121-E124 PolarHBondContact O-N 3.23Å; T121-E124 WeakPolarHBondContact OG1-CB 3.33Å; T121-E124 VanDerWaalsContact OG1-CD 3.27Å; T121-E124 WeakPolarHBondContact OG1-CG 3.47Å; T121-E124 PolarHBondContact OG1-N 2.76Å; T121-E124 PolarHBondContact OG1-OE2 3.09Å; T121-L125 VanDerWaalsContact O-CB 3.28Å; T121-L125 WeakPolarHBondContact O-CB 3.42Å; T121-L125 PolarHBondContact O-N 2.99Å
122	S	83.3	Confident	82.8	Confident	60 Å²	60	63 Å²	63	42%	0.42	36%	0.358	S	S	.	.	H	α-helix	trans	-61.5	-32.5	177.8	-174.3	0	0	0	0	112.6	K106 E126	K106-S122 VanDerWaalsContact CE-O 3.27Å; K106-S122 WeakPolarHBondContact CE-O 3.4Å; K106-S122 WeakPolarHBondContact CE-OG 3.46Å; K106-S122 PolarHBondContact NZ-O 3.21Å; K106-S122 PolarHBondContact NZ-OG 2.94Å; S122-E126 PolarHBondContact O-N 3.35Å
123	E	84.8	Confident	82.7	Confident	153 Å²	153	65.4 Å²	65.4	72%	0.715	37%	0.371	S	S	*	.	H	α-helix	trans	-74.6	-49.2	178.3	-168.6	170	-159.1	0	0	111	T121 L125 E126 D127	T121-E123 PolarHBondContact O-N 3.35Å; E123-L125 VanDerWaalsContact C-N 3.25Å; E123-L125 PolarHBondContact O-N 3.5Å; E123-E126 WeakPolarHBondContact O-CA 3.48Å; E123-E126 VanDerWaalsContact O-CB 3.29Å; E123-E126 WeakPolarHBondContact O-CB 3.47Å; E123-E126 PolarHBondContact O-N 3.2Å; E123-D127 PolarHBondContact O-N 3.19Å
124	E	85.6	Confident	82	Confident	100 Å²	100	68.5 Å²	68.5	47%	0.467	39%	0.392	S	S	.	.	H	α-helix	trans	-60.4	-35.7	175	-71	166.3	142.9	0	0	112.6	T120 T121 E126 D127 M128	T120-E124 HydrophobicContact CG2-CB 3.71Å; T121-E124 WeakPolarHBondContact CB-OE2 3.44Å; T121-E124 WeakPolarHBondContact CG2-OE2 3.3Å; T121-E124 PolarHBondContact N-OE2 2.72Å; T121-E124 PolarHBondContact O-N 3.23Å; T121-E124 WeakPolarHBondContact OG1-CB 3.33Å; T121-E124 VanDerWaalsContact OG1-CD 3.27Å; T121-E124 WeakPolarHBondContact OG1-CG 3.47Å; T121-E124 PolarHBondContact OG1-N 2.76Å; T121-E124 PolarHBondContact OG1-OE2 3.09Å; E124-E126 VanDerWaalsContact C-N 3.32Å; E124-D127 PolarHBondContact O-N 2.98Å; E124-M128 VanDerWaalsContact O-CG 3.24Å; E124-M128 WeakPolarHBondContact O-CG 3.34Å; E124-M128 PolarHBondContact O-N 3.41Å; E124-M128 VanDerWaalsContact O-N 3.09Å
125	L	87	Confident	81.6	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	39%	0.391	C	S	.	.	H	α-helix	trans	-68.9	-33.8	176.6	-178.6	57.6	0	0	0	111.7	K106 I109 Q110 L113 T120 T121 E123 M128 L129 F137	K106-L125 HydrophobicContact CG-CD2 3.55Å; K106-L125 HydrophobicContact CG-CG 4.1Å; K106-L125 WeakPolarHBondContact O-CD2 3.39Å; I109-L125 HydrophobicContact CB-CD1 4.49Å; I109-L125 HydrophobicContact CG2-CD1 3.66Å; Q110-L125 HydrophobicContact CB-CD2 3.66Å; Q110-L125 HydrophobicContact CG-CD2 4.27Å; L113-L125 HydrophobicContact CD1-CD1 3.81Å; T120-L125 HydrophobicContact CG2-CB 3.98Å; T121-L125 VanDerWaalsContact O-CB 3.28Å; T121-L125 WeakPolarHBondContact O-CB 3.42Å; T121-L125 PolarHBondContact O-N 2.99Å; E123-L125 VanDerWaalsContact C-N 3.25Å; E123-L125 PolarHBondContact O-N 3.5Å; L125-M128 PolarHBondContact O-N 3.09Å; L125-L129 HydrophobicContact CG-CD1 4.49Å; L125-L129 VanDerWaalsContact O-CG 3.29Å; L125-L129 WeakPolarHBondContact O-CG 3.18Å; L125-L129 PolarHBondContact O-N 3.1Å; L125-L129 VanDerWaalsContact O-N 3.11Å; L125-F137 HydrophobicContact CD1-CE1 4.09Å
126	E	85.4	Confident	81.6	Confident	36 Å²	36	64.4 Å²	64.4	17%	0.168	38%	0.381	C	S	.	.	H	α-helix	trans	-64.9	-47.8	174.2	-161	64.3	-135.2	0	0	110.7	R102 K106 S122 E123 E124 M128 L129 E130	R102-E126 IonicContact CZ-OE1 2.62Å; R102-E126 IonicContact NH1-OE1 3.8Å; R102-E126 PolarHBondContact NH1-OE1 3.23Å; R102-E126 IonicContact NH1-OE2 3.76Å; R102-E126 PolarHBondContact NH1-OE2 3.45Å; R102-E126 IonicContact NH2-OE1 2.86Å; R102-E126 PolarHBondContact NH2-OE1 2.88Å; K106-E126 WeakPolarHBondContact CE-OE2 3.38Å; K106-E126 IonicContact NZ-OE2 3.47Å; K106-E126 PolarHBondContact NZ-OE2 2.97Å; S122-E126 PolarHBondContact O-N 3.35Å; E123-E126 WeakPolarHBondContact O-CA 3.48Å; E123-E126 VanDerWaalsContact O-CB 3.29Å; E123-E126 WeakPolarHBondContact O-CB 3.47Å; E123-E126 PolarHBondContact O-N 3.2Å; E124-E126 VanDerWaalsContact C-N 3.32Å; E126-M128 PolarHBondContact O-N 2.73Å; E126-L129 WeakPolarHBondContact O-CB 3.28Å; E126-L129 PolarHBondContact O-N 3.18Å; E126-E130 PolarHBondContact O-N 3.24Å
127	D	86	Confident	81.5	Confident	98 Å²	98	63.6 Å²	63.6	52%	0.524	38%	0.376	S	S	.	.	H	α-helix	trans	-56.9	-38.2	176	-67.3	-18.8	0	0	0	111.8	E123 E124 S131	E123-D127 PolarHBondContact O-N 3.19Å; E124-D127 PolarHBondContact O-N 2.98Å; D127-S131 WeakPolarHBondContact O-CB 3.34Å; D127-S131 PolarHBondContact O-N 3.02Å
128	M	84.5	Confident	81.4	Confident	9 Å²	9	61.7 Å²	61.7	4%	0.044	35%	0.353	C	S	.	.	H	α-helix	trans	-66.3	-39.2	176.6	-72.3	175.3	68.1	0	0	112.4	T120 E124 L125 E126 S131 I136 F137	T120-M128 HydrophobicContact CG2-SD 4.1Å; E124-M128 VanDerWaalsContact O-CG 3.24Å; E124-M128 WeakPolarHBondContact O-CG 3.34Å; E124-M128 PolarHBondContact O-N 3.41Å; E124-M128 VanDerWaalsContact O-N 3.09Å; L125-M128 PolarHBondContact O-N 3.09Å; E126-M128 PolarHBondContact O-N 2.73Å; M128-S131 PolarHBondContact O-OG 3.09Å; M128-I136 HydrophobicContact CB-CD1 4.5Å; M128-I136 HydrophobicContact CB-CG2 4.06Å; M128-I136 HydrophobicContact CE-CG1 4.36Å; M128-I136 HydrophobicContact CE-CG2 4.13Å; M128-I136 HydrophobicContact CG-CD1 4.12Å; M128-I136 HydrophobicContact CG-CG1 4.21Å; M128-I136 HydrophobicContact CG-CG2 4.4Å; M128-F137 HydrophobicContact CB-CE1 4Å; M128-F137 HydrophobicContact CB-CZ 4.13Å; M128-F137 HydrophobicContact CE-CD1 3.56Å; M128-F137 HydrophobicContact CE-CE1 3.82Å; M128-F137 HydrophobicContact CE-CG 4.3Å
129	L	84.7	Confident	80.9	Confident	7 Å²	7	61.2 Å²	61.2	4%	0.037	36%	0.363	C	S	.	.	H	α-helix	trans	-69	-43.7	176	-67.7	167.5	0	0	0	111.4	K106 I109 L125 E126 S131 F137 I162	K106-L129 HydrophobicContact CG-CD1 4.3Å; I109-L129 HydrophobicContact CD1-CD2 4.03Å; L125-L129 HydrophobicContact CG-CD1 4.49Å; L125-L129 VanDerWaalsContact O-CG 3.29Å; L125-L129 WeakPolarHBondContact O-CG 3.18Å; L125-L129 PolarHBondContact O-N 3.1Å; L125-L129 VanDerWaalsContact O-N 3.11Å; E126-L129 WeakPolarHBondContact O-CB 3.28Å; E126-L129 PolarHBondContact O-N 3.18Å; L129-S131 VanDerWaalsContact C-N 3.27Å; L129-S131 PolarHBondContact O-N 2.98Å; L129-F137 HydrophobicContact CD2-CZ 3.88Å; L129-F137 HydrophobicContact CG-CZ 4.4Å; L129-I162 HydrophobicContact CD1-CD1 4.35Å; L129-I162 HydrophobicContact CD2-CD1 3.77Å
130	E	83.4	Confident	80.2	Confident	143 Å²	143	58.3 Å²	58.3	67%	0.668	36%	0.358	S	S	*	.	H	α-helix	trans	-68.8	-24.6	-179.9	-70.2	-173.2	179.3	0	0	113.2	E126 G132	E126-E130 PolarHBondContact O-N 3.24Å; E130-G132 PolarHBondContact O-N 3.21Å; E130-G132 VanDerWaalsContact O-N 3.07Å
131	S	81.7	Confident	79.8	Confident	54 Å²	54	58.5 Å²	58.5	38%	0.378	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-19.9	-179.8	77.2	0	0	0	0	114.3	D127 M128 L129 N133 I136	D127-S131 WeakPolarHBondContact O-CB 3.34Å; D127-S131 PolarHBondContact O-N 3.02Å; M128-S131 PolarHBondContact O-OG 3.09Å; L129-S131 VanDerWaalsContact C-N 3.27Å; L129-S131 PolarHBondContact O-N 2.98Å; S131-N133 PolarHBondContact O-N 3.34Å; S131-N133 PolarHBondContact OG-N 3.35Å; S131-I136 WeakPolarHBondContact OG-CD1 3.49Å
132	G	70.8	Confident	79.1	Confident	53 Å²	53	60.3 Å²	60.3	55%	0.546	36%	0.364	S	S	.	.			trans	63.4	10.6	-179	0	0	0	0	0	114.5	E130 P134	E130-G132 PolarHBondContact O-N 3.21Å; E130-G132 VanDerWaalsContact O-N 3.07Å; G132-P134 WeakPolarHBondContact O-CD 3.44Å
133	N	78.3	Confident	78.4	Confident	82 Å²	82	62 Å²	62	44%	0.439	37%	0.367	S	S	.	.			trans	-106.2	103.4	-177.9	179.7	6.7	0	0	0	110.9	S131 A135 I136	S131-N133 PolarHBondContact O-N 3.34Å; S131-N133 PolarHBondContact OG-N 3.35Å; N133-A135 PolarHBondContact O-N 3.32Å; N133-A135 VanDerWaalsContact O-N 3.08Å; N133-A135 WeakPolarHBondContact OD1-CB 3.46Å; N133-A135 PolarHBondContact OD1-N 3.07Å; N133-A135 VanDerWaalsContact OD1-N 3.13Å; N133-I136 VanDerWaalsContact O-CB 3.3Å; N133-I136 WeakPolarHBondContact O-CB 3.31Å; N133-I136 WeakPolarHBondContact O-CG2 3.27Å; N133-I136 PolarHBondContact O-N 3.22Å
134	P	68.6	Low	77.8	Confident	66 Å²	66	62 Å²	62	43%	0.429	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-58.5	-28.1	-179	-23.2	33.2	0	0	0	113.9	G132 I136	G132-P134 WeakPolarHBondContact O-CD 3.44Å; P134-I136 PolarHBondContact O-N 3.13Å
135	A	76.1	Confident	77.4	Confident	56 Å²	56	59.3 Å²	59.3	46%	0.463	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-72.5	-11.6	179.8	0	0	0	0	0	113.2	N133 F137 A138 S139	N133-A135 PolarHBondContact O-N 3.32Å; N133-A135 VanDerWaalsContact O-N 3.08Å; N133-A135 WeakPolarHBondContact OD1-CB 3.46Å; N133-A135 PolarHBondContact OD1-N 3.07Å; N133-A135 VanDerWaalsContact OD1-N 3.13Å; A135-F137 PolarHBondContact O-N 3.01Å; A135-A138 PolarHBondContact O-N 3.35Å; A135-A138 VanDerWaalsContact O-N 3.1Å; A135-S139 PolarHBondContact O-N 3.21Å
136	I	81.6	Confident	77	Confident	46 Å²	46	63.9 Å²	63.9	24%	0.236	40%	0.396	C	S	.	.	G	3₁₀ helix	trans	-63.2	-30.5	178.9	-156.5	161.2	0	0	0	112	M128 S131 N133 P134 S139	M128-I136 HydrophobicContact CB-CD1 4.5Å; M128-I136 HydrophobicContact CB-CG2 4.06Å; M128-I136 HydrophobicContact CE-CG1 4.36Å; M128-I136 HydrophobicContact CE-CG2 4.13Å; M128-I136 HydrophobicContact CG-CD1 4.12Å; M128-I136 HydrophobicContact CG-CG1 4.21Å; M128-I136 HydrophobicContact CG-CG2 4.4Å; S131-I136 WeakPolarHBondContact OG-CD1 3.49Å; N133-I136 VanDerWaalsContact O-CB 3.3Å; N133-I136 WeakPolarHBondContact O-CB 3.31Å; N133-I136 WeakPolarHBondContact O-CG2 3.27Å; N133-I136 PolarHBondContact O-N 3.22Å; P134-I136 PolarHBondContact O-N 3.13Å; I136-S139 PolarHBondContact O-N 3.36Å
137	F	77	Confident	76.7	Confident	5 Å²	5	66.8 Å²	66.8	2%	0.022	41%	0.412	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-29.5	175.9	-60.6	-72.7	0	0	0	112.6	I109 L125 M128 L129 A135 I141 I155 H159	I109-F137 HydrophobicContact CG2-CD1 4.13Å; I109-F137 HydrophobicContact CG2-CE1 3.88Å; L125-F137 HydrophobicContact CD1-CE1 4.09Å; M128-F137 HydrophobicContact CB-CE1 4Å; M128-F137 HydrophobicContact CB-CZ 4.13Å; M128-F137 HydrophobicContact CE-CD1 3.56Å; M128-F137 HydrophobicContact CE-CE1 3.82Å; M128-F137 HydrophobicContact CE-CG 4.3Å; L129-F137 HydrophobicContact CD2-CZ 3.88Å; L129-F137 HydrophobicContact CG-CZ 4.4Å; A135-F137 PolarHBondContact O-N 3.01Å; F137-I141 WeakPolarHBondContact O-CD1 3.48Å; F137-I141 WeakPolarHBondContact O-CG1 3.49Å; F137-I155 HydrophobicContact CB-CG2 3.54Å; F137-I155 HydrophobicContact CD1-CG2 3.48Å; F137-I155 VanDerWaalsContact CD1-CG2 3.48Å; F137-I155 HydrophobicContact CD2-CG2 3.98Å; F137-I155 HydrophobicContact CE1-CG2 4.21Å; F137-I155 HydrophobicContact CG-CG2 3.36Å; F137-H159 HydrophobicContact CE2-CB 4.13Å; F137-H159 AromaticContact CE2-CD2 3.66Å; F137-H159 AromaticContact CE2-CG 3.68Å; F137-H159 AromaticContact CE2-NE2 3.94Å
138	A	75.9	Confident	76.3	Confident	31 Å²	31	62.7 Å²	62.7	26%	0.256	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-25.9	174.8	0	0	0	0	0	112.6	A135 G140 I141 M143 L152	A135-A138 PolarHBondContact O-N 3.35Å; A135-A138 VanDerWaalsContact O-N 3.1Å; A138-G140 PolarHBondContact O-N 2.88Å; A138-I141 PolarHBondContact O-N 3Å; A138-M143 HydrophobicContact CB-CE 4.45Å; A138-L152 HydrophobicContact CB-CD1 3.64Å; A138-L152 HydrophobicContact CB-CD2 4.43Å; A138-L152 HydrophobicContact CB-CG 4.34Å
139	S	69.3	Low	76	Confident	78 Å²	78	68.4 Å²	68.4	55%	0.545	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	111.1	-179	-172.3	0	0	0	0	111	R118 A135 I136	R118-S139 PolarHBondContact NH1-O 3.37Å; A135-S139 PolarHBondContact O-N 3.21Å; I136-S139 PolarHBondContact O-N 3.36Å
140	G	68.7	Low	75.7	Confident	63 Å²	63	75 Å²	75	65%	0.649	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.7	1.8	178.4	0	0	0	0	0	115.1	A138	A138-G140 PolarHBondContact O-N 2.88Å
141	I	75.1	Confident	75.4	Confident	13 Å²	13	68.2 Å²	68.2	7%	0.067	42%	0.415	C	S	.	.			trans	-90.5	128.9	169.2	-63.9	-179.1	0	0	0	109.3	L113 T116 F137 A138 M143 L152 I155	L113-I141 HydrophobicContact CD2-CD1 4.28Å; T116-I141 HydrophobicContact CG2-CD1 3.85Å; T116-I141 HydrophobicContact CG2-CG1 4.27Å; T116-I141 HydrophobicContact CG2-CG2 3.9Å; F137-I141 WeakPolarHBondContact O-CD1 3.48Å; F137-I141 WeakPolarHBondContact O-CG1 3.49Å; A138-I141 PolarHBondContact O-N 3Å; I141-M143 PolarHBondContact O-N 2.86Å; I141-L152 HydrophobicContact CD1-CD1 4.29Å; I141-I155 HydrophobicContact CD1-CD1 4.48Å
142	I	74	Confident	75.5	Confident	113 Å²	113	66.9 Å²	66.9	58%	0.579	40%	0.403	S	S	*	.			trans	-73	111.7	173.6	-59.3	173.6	0	0	0	108.4	D144 S148	I142-D144 HydrophobicContact CG2-CB 3.85Å; I142-D144 VanDerWaalsContact CG2-OD2 3.3Å; I142-D144 WeakPolarHBondContact CG2-OD2 3.49Å; I142-D144 PolarHBondContact O-N 2.62Å; I142-S148 WeakPolarHBondContact O-CB 3.25Å; I142-S148 PolarHBondContact O-OG 2.93Å
143	M	68.4	Low	76	Confident	97 Å²	97	67.5 Å²	67.5	48%	0.478	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	6.2	-177.4	-81.6	-168.7	168	0	0	114.6	A138 I141 S145 K149 L152	A138-M143 HydrophobicContact CB-CE 4.45Å; I141-M143 PolarHBondContact O-N 2.86Å; M143-S145 VanDerWaalsContact C-N 3.29Å; M143-S145 PolarHBondContact O-N 3.04Å; M143-K149 WeakPolarHBondContact O-CE 3.17Å; M143-L152 HydrophobicContact CE-CD1 3.66Å
144	D	71.2	Confident	76	Confident	151 Å²	151	65.9 Å²	65.9	81%	0.807	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-15.9	-173.6	-55.4	-22.1	0	0	0	112.8	I142	I142-D144 HydrophobicContact CG2-CB 3.85Å; I142-D144 VanDerWaalsContact CG2-OD2 3.3Å; I142-D144 WeakPolarHBondContact CG2-OD2 3.49Å; I142-D144 PolarHBondContact O-N 2.62Å
145	S	77.4	Confident	76.7	Confident	45 Å²	45	62.8 Å²	62.8	32%	0.315	37%	0.369	S	S	.	.	S	Bend	trans	-102.1	137	177.9	-179.6	0	0	0	0	111.8	M143 I147 S148 K149	M143-S145 VanDerWaalsContact C-N 3.29Å; M143-S145 PolarHBondContact O-N 3.04Å; S145-I147 PolarHBondContact O-N 2.9Å; S145-I147 WeakPolarHBondContact OG-CB 3.25Å; S145-I147 PolarHBondContact OG-N 2.76Å; S145-S148 WeakPolarHBondContact O-CB 3.38Å; S145-S148 PolarHBondContact O-N 3.5Å; S145-S148 VanDerWaalsContact O-N 3.15Å; S145-K149 PolarHBondContact O-N 3.4Å
146	S	79.9	Confident	76.9	Confident	95 Å²	95	65.3 Å²	65.3	66%	0.664	37%	0.371	S	S	*	.	H	α-helix	trans	-56.6	-34.3	170.4	51.4	0	0	0	0	111.7	K149 Q150	S146-K149 PolarHBondContact O-N 2.92Å; S146-Q150 PolarHBondContact O-N 2.85Å
147	I	78	Confident	76.8	Confident	97 Å²	97	66.4 Å²	66.4	50%	0.497	38%	0.38	S	S	.	.	H	α-helix	trans	-64.3	-44.6	176.8	-56.9	171.3	0	0	0	110.7	I115 S145 K149 Q150 A151	I115-I147 HydrophobicContact CG2-CG2 3.77Å; S145-I147 PolarHBondContact O-N 2.9Å; S145-I147 WeakPolarHBondContact OG-CB 3.25Å; S145-I147 PolarHBondContact OG-N 2.76Å; I147-K149 VanDerWaalsContact C-N 3.32Å; I147-K149 PolarHBondContact O-N 3.37Å; I147-Q150 PolarHBondContact O-N 3.42Å; I147-A151 WeakPolarHBondContact O-CB 3.42Å; I147-A151 PolarHBondContact O-N 3.3Å
148	S	77.2	Confident	77	Confident	13 Å²	13	67.4 Å²	67.4	9%	0.091	38%	0.384	C	S	.	.	H	α-helix	trans	-62.5	-39.1	177.7	-61.4	0	0	0	0	112.1	I142 S145 L152	I142-S148 WeakPolarHBondContact O-CB 3.25Å; I142-S148 PolarHBondContact O-OG 2.93Å; S145-S148 WeakPolarHBondContact O-CB 3.38Å; S145-S148 PolarHBondContact O-N 3.5Å; S145-S148 VanDerWaalsContact O-N 3.15Å; S148-L152 VanDerWaalsContact O-CB 3.31Å; S148-L152 WeakPolarHBondContact O-CB 3.31Å; S148-L152 PolarHBondContact O-N 3.1Å
149	K	79.4	Confident	77.2	Confident	128 Å²	128	66.1 Å²	66.1	56%	0.557	37%	0.372	S	S	*	.	H	α-helix	trans	-65.9	-40.4	176.6	-66.7	-179.1	-174.8	176.1	0	111.8	M143 S145 S146 I147 S153	M143-K149 WeakPolarHBondContact O-CE 3.17Å; S145-K149 PolarHBondContact O-N 3.4Å; S146-K149 PolarHBondContact O-N 2.92Å; I147-K149 VanDerWaalsContact C-N 3.32Å; I147-K149 PolarHBondContact O-N 3.37Å; K149-S153 PolarHBondContact O-N 3.16Å
150	Q	78.8	Confident	77.6	Confident	145 Å²	145	64.8 Å²	64.8	68%	0.678	36%	0.363	S	S	*	.	H	α-helix	trans	-67.3	-44.9	177.2	-174.6	176.8	-0.6	0	0	111.9	S146 I147 L152 S153 E154	S146-Q150 PolarHBondContact O-N 2.85Å; I147-Q150 PolarHBondContact O-N 3.42Å; Q150-L152 VanDerWaalsContact C-N 3.29Å; Q150-L152 PolarHBondContact O-N 2.92Å; Q150-S153 PolarHBondContact O-N 3.28Å; Q150-E154 PolarHBondContact O-N 3.5Å
151	A	77.2	Confident	77.9	Confident	2 Å²	2	63 Å²	63	2%	0.017	34%	0.338	C	S	.	.	H	α-helix	trans	-57.6	-44	175.8	0	0	0	0	0	111.4	Q112 T116 I147 E154 I155	Q112-A151 HydrophobicContact CB-CB 4.31Å; Q112-A151 VanDerWaalsContact OE1-CB 3.27Å; T116-A151 HydrophobicContact CG2-CB 3.56Å; I147-A151 WeakPolarHBondContact O-CB 3.42Å; I147-A151 PolarHBondContact O-N 3.3Å; A151-E154 PolarHBondContact O-N 2.95Å; A151-I155 VanDerWaalsContact O-CG1 3.23Å; A151-I155 WeakPolarHBondContact O-CG1 3.43Å; A151-I155 PolarHBondContact O-N 3.08Å
152	L	81.8	Confident	78	Confident	25 Å²	25	62.5 Å²	62.5	13%	0.131	34%	0.335	C	S	.	.	H	α-helix	trans	-65.1	-40.7	178.3	-164.6	154.9	0	0	0	112.3	A138 I141 M143 S148 Q150 E154 I155 E156	A138-L152 HydrophobicContact CB-CD1 3.64Å; A138-L152 HydrophobicContact CB-CD2 4.43Å; A138-L152 HydrophobicContact CB-CG 4.34Å; I141-L152 HydrophobicContact CD1-CD1 4.29Å; M143-L152 HydrophobicContact CE-CD1 3.66Å; S148-L152 VanDerWaalsContact O-CB 3.31Å; S148-L152 WeakPolarHBondContact O-CB 3.31Å; S148-L152 PolarHBondContact O-N 3.1Å; Q150-L152 VanDerWaalsContact C-N 3.29Å; Q150-L152 PolarHBondContact O-N 2.92Å; L152-E154 PolarHBondContact O-N 3.47Å; L152-I155 PolarHBondContact O-N 3.42Å; L152-E156 WeakPolarHBondContact O-CB 3.31Å; L152-E156 PolarHBondContact O-N 3.15Å
153	S	81.6	Confident	78.3	Confident	67 Å²	67	59.8 Å²	59.8	47%	0.469	32%	0.321	S	S	.	.	H	α-helix	trans	-63.8	-38.2	174.4	-179.4	0	0	0	0	112.7	K149 Q150 T157	K149-S153 PolarHBondContact O-N 3.16Å; Q150-S153 PolarHBondContact O-N 3.28Å; S153-T157 PolarHBondContact O-N 3.39Å; S153-T157 VanDerWaalsContact O-N 3.12Å; S153-T157 PolarHBondContact O-OG1 3.34Å
154	E	79.4	Confident	78.6	Confident	47 Å²	47	61.5 Å²	61.5	22%	0.22	33%	0.326	C	S	.	.	H	α-helix	trans	-67.4	-43.9	173.9	-172.7	173.8	179.5	0	0	111	R108 Q112 Q150 A151 L152 E156 T157 R158	R108-E154 IonicContact CZ-OE1 3.66Å; R108-E154 IonicContact NH1-OE1 2.73Å; R108-E154 PolarHBondContact NH1-OE1 3.48Å; Q112-E154 HydrophobicContact CG-CB 4.44Å; Q112-E154 HydrophobicContact CG-CG 4.46Å; Q112-E154 PolarHBondContact NE2-OE2 2.86Å; Q150-E154 PolarHBondContact O-N 3.5Å; A151-E154 PolarHBondContact O-N 2.95Å; L152-E154 PolarHBondContact O-N 3.47Å; E154-E156 VanDerWaalsContact C-N 3.34Å; E154-E156 PolarHBondContact O-N 3.01Å; E154-T157 WeakPolarHBondContact O-CB 3.45Å; E154-T157 PolarHBondContact O-N 3.41Å; E154-R158 HydrophobicContact CG-CG 4.3Å; E154-R158 VanDerWaalsContact O-CG 3.29Å; E154-R158 WeakPolarHBondContact O-CG 3.32Å; E154-R158 PolarHBondContact O-N 3.02Å; E154-R158 IonicContact OE1-NE 3.38Å
155	I	82.8	Confident	78.5	Confident	1 Å²	1	54.5 Å²	54.5	1%	0.005	29%	0.289	C	S	.	.	H	α-helix	trans	-58	-47.1	177	-68.9	164.3	0	0	0	110.9	I109 Q112 L113 F137 I141 A151 L152 T157 R158 H159	I109-I155 HydrophobicContact CG1-CG2 4.38Å; I109-I155 HydrophobicContact CG2-CG1 4.2Å; I109-I155 HydrophobicContact CG2-CG2 3.85Å; Q112-I155 HydrophobicContact CB-CD1 3.72Å; Q112-I155 HydrophobicContact CB-CG1 3.57Å; Q112-I155 HydrophobicContact CG-CG1 4.36Å; L113-I155 HydrophobicContact CD2-CD1 3.98Å; L113-I155 HydrophobicContact CG-CD1 4Å; F137-I155 HydrophobicContact CB-CG2 3.54Å; F137-I155 HydrophobicContact CD1-CG2 3.48Å; F137-I155 VanDerWaalsContact CD1-CG2 3.48Å; F137-I155 HydrophobicContact CD2-CG2 3.98Å; F137-I155 HydrophobicContact CE1-CG2 4.21Å; F137-I155 HydrophobicContact CG-CG2 3.36Å; I141-I155 HydrophobicContact CD1-CD1 4.48Å; A151-I155 VanDerWaalsContact O-CG1 3.23Å; A151-I155 WeakPolarHBondContact O-CG1 3.43Å; A151-I155 PolarHBondContact O-N 3.08Å; L152-I155 PolarHBondContact O-N 3.42Å; I155-T157 VanDerWaalsContact C-N 3.31Å; I155-T157 PolarHBondContact O-N 3.14Å; I155-R158 PolarHBondContact O-N 2.95Å; I155-H159 WeakPolarHBondContact O-CB 3.46Å; I155-H159 PolarHBondContact O-N 3.48Å
156	E	80.5	Confident	78.2	Confident	110 Å²	110	55 Å²	55	51%	0.514	29%	0.286	S	S	.	.	H	α-helix	trans	-61.6	-41	179.1	-172.2	174.9	-168.2	0	0	111.8	L152 E154 H159 S160	L152-E156 WeakPolarHBondContact O-CB 3.31Å; L152-E156 PolarHBondContact O-N 3.15Å; E154-E156 VanDerWaalsContact C-N 3.34Å; E154-E156 PolarHBondContact O-N 3.01Å; E156-H159 PolarHBondContact O-N 2.77Å; E156-S160 WeakPolarHBondContact O-CB 3.48Å; E156-S160 PolarHBondContact O-N 2.93Å
157	T	79.8	Confident	77.8	Confident	69 Å²	69	53.8 Å²	53.8	42%	0.423	27%	0.272	S	S	.	.	H	α-helix	trans	-61.6	-48.4	175.9	-57.1	0	0	0	0	111	S153 E154 I155 S160 E161	S153-T157 PolarHBondContact O-N 3.39Å; S153-T157 VanDerWaalsContact O-N 3.12Å; S153-T157 PolarHBondContact O-OG1 3.34Å; E154-T157 WeakPolarHBondContact O-CB 3.45Å; E154-T157 PolarHBondContact O-N 3.41Å; I155-T157 VanDerWaalsContact C-N 3.31Å; I155-T157 PolarHBondContact O-N 3.14Å; T157-S160 PolarHBondContact O-N 3.5Å; T157-E161 WeakPolarHBondContact O-CG 3.34Å; T157-E161 PolarHBondContact O-N 3.34Å
158	R	80.1	Confident	76.9	Confident	25 Å²	25	51.7 Å²	51.7	9%	0.094	27%	0.266	C	S	.	.	H	α-helix	trans	-65.5	-39.8	179.4	-64.1	-66.1	168	-139.2	2	112.4	I109 E154 I155 E161 I162	I109-R158 HydrophobicContact CD1-CB 3.84Å; I109-R158 HydrophobicContact CG1-CB 3.73Å; I109-R158 HydrophobicContact CG1-CG 4.44Å; E154-R158 HydrophobicContact CG-CG 4.3Å; E154-R158 VanDerWaalsContact O-CG 3.29Å; E154-R158 WeakPolarHBondContact O-CG 3.32Å; E154-R158 PolarHBondContact O-N 3.02Å; E154-R158 IonicContact OE1-NE 3.38Å; I155-R158 PolarHBondContact O-N 2.95Å; R158-E161 IonicContact CZ-OE2 2.7Å; R158-E161 VanDerWaalsContact NH1-CD 3.29Å; R158-E161 IonicContact NH1-OE1 2.73Å; R158-E161 PolarHBondContact NH1-OE1 3.3Å; R158-E161 VanDerWaalsContact NH1-OE1 3.11Å; R158-E161 IonicContact NH1-OE2 3.27Å; R158-E161 PolarHBondContact NH1-OE2 2.88Å; R158-E161 WeakPolarHBondContact O-CB 3.27Å; R158-E161 PolarHBondContact O-N 2.81Å; R158-I162 WeakPolarHBondContact O-CG1 3.48Å; R158-I162 PolarHBondContact O-N 2.94Å
159	H	81.1	Confident	76.2	Confident	4 Å²	4	52.3 Å²	52.3	2%	0.019	27%	0.268	C	S	.	.	H	α-helix	trans	-63.2	-43.1	175.5	178.8	-118.9	0	0	0	111.5	F137 I155 E156 E161 I162 I163	F137-H159 HydrophobicContact CE2-CB 4.13Å; F137-H159 AromaticContact CE2-CD2 3.66Å; F137-H159 AromaticContact CE2-CG 3.68Å; F137-H159 AromaticContact CE2-NE2 3.94Å; I155-H159 WeakPolarHBondContact O-CB 3.46Å; I155-H159 PolarHBondContact O-N 3.48Å; E156-H159 PolarHBondContact O-N 2.77Å; H159-E161 VanDerWaalsContact C-N 3.27Å; H159-E161 PolarHBondContact O-N 2.91Å; H159-I162 PolarHBondContact O-N 3.41Å; H159-I163 WeakPolarHBondContact CE1-CD1 3.34Å; H159-I163 WeakPolarHBondContact O-CG1 3.37Å; H159-I163 PolarHBondContact O-N 3.18Å
160	S	78.3	Confident	75.6	Confident	50 Å²	50	52.5 Å²	52.5	35%	0.35	27%	0.265	S	S	.	.	H	α-helix	trans	-61	-37	174.1	-179.7	0	0	0	0	112.4	E156 T157 I163 K164	E156-S160 WeakPolarHBondContact O-CB 3.48Å; E156-S160 PolarHBondContact O-N 2.93Å; T157-S160 PolarHBondContact O-N 3.5Å; S160-I163 PolarHBondContact O-N 3.01Å; S160-K164 WeakPolarHBondContact O-CG 3.19Å; S160-K164 PolarHBondContact O-N 3.05Å; S160-K164 VanDerWaalsContact O-N 3.07Å
161	E	74.1	Confident	74.7	Confident	27 Å²	27	51.8 Å²	51.8	13%	0.126	26%	0.262	C	S	.	.	H	α-helix	trans	-66.6	-42.8	175.4	-71.9	170.7	-177.6	0	0	112.5	F29 Y101 T157 R158 H159 I163 K164 L165	F29-E161 WeakPolarHBondContact CE1-OE1 3.28Å; Y101-E161 VanDerWaalsContact OH-CB 3.22Å; Y101-E161 WeakPolarHBondContact OH-CB 3.46Å; Y101-E161 VanDerWaalsContact OH-CD 3.29Å; Y101-E161 PolarHBondContact OH-OE2 3.45Å; T157-E161 WeakPolarHBondContact O-CG 3.34Å; T157-E161 PolarHBondContact O-N 3.34Å; R158-E161 IonicContact CZ-OE2 2.7Å; R158-E161 VanDerWaalsContact NH1-CD 3.29Å; R158-E161 IonicContact NH1-OE1 2.73Å; R158-E161 PolarHBondContact NH1-OE1 3.3Å; R158-E161 VanDerWaalsContact NH1-OE1 3.11Å; R158-E161 IonicContact NH1-OE2 3.27Å; R158-E161 PolarHBondContact NH1-OE2 2.88Å; R158-E161 WeakPolarHBondContact O-CB 3.27Å; R158-E161 PolarHBondContact O-N 2.81Å; H159-E161 VanDerWaalsContact C-N 3.27Å; H159-E161 PolarHBondContact O-N 2.91Å; E161-I163 VanDerWaalsContact C-N 3.34Å; E161-I163 PolarHBondContact O-N 2.92Å; E161-K164 PolarHBondContact O-N 2.96Å; E161-L165 PolarHBondContact O-N 2.87Å
162	I	77.7	Confident	73.7	Confident	2 Å²	2	52.5 Å²	52.5	1%	0.01	27%	0.265	C	S	.	.	H	α-helix	trans	-59.1	-45.6	173.4	-68.8	169.1	0	0	0	110.4	C105 I109 L129 R158 H159 K164 L165 E166	C105-I162 HydrophobicContact CB-CD1 3.75Å; C105-I162 HydrophobicContact CB-CG1 3.79Å; I109-I162 HydrophobicContact CD1-CD1 3.79Å; L129-I162 HydrophobicContact CD1-CD1 4.35Å; L129-I162 HydrophobicContact CD2-CD1 3.77Å; R158-I162 WeakPolarHBondContact O-CG1 3.48Å; R158-I162 PolarHBondContact O-N 2.94Å; H159-I162 PolarHBondContact O-N 3.41Å; I162-K164 VanDerWaalsContact C-N 3.33Å; I162-K164 PolarHBondContact O-N 2.93Å; I162-L165 WeakPolarHBondContact O-CB 3.28Å; I162-L165 PolarHBondContact O-N 3.14Å; I162-E166 HydrophobicContact CG2-CG 4.28Å; I162-E166 WeakPolarHBondContact O-CG 3.32Å; I162-E166 PolarHBondContact O-N 3.02Å
163	I	79.6	Confident	72.6	Confident	56 Å²	56	56 Å²	56	29%	0.287	28%	0.281	S	S	.	.	H	α-helix	trans	-60.4	-42.5	178	-70.4	166.9	0	0	0	111.5	H159 S160 E161 L165 E166 N167	H159-I163 WeakPolarHBondContact CE1-CD1 3.34Å; H159-I163 WeakPolarHBondContact O-CG1 3.37Å; H159-I163 PolarHBondContact O-N 3.18Å; S160-I163 PolarHBondContact O-N 3.01Å; E161-I163 VanDerWaalsContact C-N 3.34Å; E161-I163 PolarHBondContact O-N 2.92Å; I163-L165 VanDerWaalsContact C-N 3.33Å; I163-L165 PolarHBondContact O-N 3.41Å; I163-E166 PolarHBondContact O-N 3.38Å; I163-N167 WeakPolarHBondContact O-CB 3.27Å; I163-N167 VanDerWaalsContact O-CG 3.24Å; I163-N167 PolarHBondContact O-N 3.36Å; I163-N167 PolarHBondContact O-ND2 3.31Å
164	K	74.4	Confident	71.5	Confident	132 Å²	132	57 Å²	57	57%	0.574	28%	0.281	S	S	*	.	H	α-helix	trans	-63.3	-41.2	177.8	-74.2	172.3	-176	174.1	0	111.7	S160 E161 I162 S168	S160-K164 WeakPolarHBondContact O-CG 3.19Å; S160-K164 PolarHBondContact O-N 3.05Å; S160-K164 VanDerWaalsContact O-N 3.07Å; E161-K164 PolarHBondContact O-N 2.96Å; I162-K164 VanDerWaalsContact C-N 3.33Å; I162-K164 PolarHBondContact O-N 2.93Å; K164-S168 WeakPolarHBondContact O-CB 3.41Å; K164-S168 PolarHBondContact O-N 2.88Å; K164-S168 PolarHBondContact O-OG 3.14Å
165	L	68.7	Low	70.4	Confident	5 Å²	5	59 Å²	59	3%	0.026	29%	0.291	C	S	.	.	H	α-helix	trans	-60.2	-51.8	173.9	175.7	72	0	0	0	110.9	F33 I96 Y101 R102 E161 I162 I163 N167 S168 I169	F33-L165 HydrophobicContact CE2-CD1 3.45Å; F33-L165 VanDerWaalsContact CE2-CD1 3.45Å; F33-L165 HydrophobicContact CZ-CD1 3.73Å; I96-L165 HydrophobicContact CG2-CD1 3.58Å; Y101-L165 HydrophobicContact CD1-CD2 4.07Å; R102-L165 HydrophobicContact CB-CD2 4.18Å; E161-L165 PolarHBondContact O-N 2.87Å; I162-L165 WeakPolarHBondContact O-CB 3.28Å; I162-L165 PolarHBondContact O-N 3.14Å; I163-L165 VanDerWaalsContact C-N 3.33Å; I163-L165 PolarHBondContact O-N 3.41Å; L165-N167 VanDerWaalsContact C-N 3.33Å; L165-N167 PolarHBondContact O-N 3.49Å; L165-S168 PolarHBondContact O-N 3.17Å; L165-S168 VanDerWaalsContact O-N 3.17Å; L165-I169 HydrophobicContact CD1-CD1 4.06Å; L165-I169 HydrophobicContact CG-CD1 3.87Å; L165-I169 WeakPolarHBondContact O-CG1 3.17Å; L165-I169 PolarHBondContact O-N 3.38Å
166	E	72.5	Confident	69.1	Low	55 Å²	55	61.5 Å²	61.5	26%	0.257	30%	0.302	S	S	.	.	H	α-helix	trans	-61.6	-40	-178.9	-73.1	179.2	173.7	0	0	112.2	R102 I162 I163 I169 R170	R102-E166 IonicContact CZ-OE1 3.99Å; R102-E166 IonicContact NE-OE1 3.74Å; R102-E166 PolarHBondContact NE-OE1 3.41Å; R102-E166 IonicContact NH2-OE1 3.34Å; R102-E166 PolarHBondContact NH2-OE1 3.41Å; R102-E166 VanDerWaalsContact NH2-OE1 3.13Å; I162-E166 HydrophobicContact CG2-CG 4.28Å; I162-E166 WeakPolarHBondContact O-CG 3.32Å; I162-E166 PolarHBondContact O-N 3.02Å; I163-E166 PolarHBondContact O-N 3.38Å; E166-I169 PolarHBondContact O-N 2.98Å; E166-R170 WeakPolarHBondContact O-CB 3.46Å; E166-R170 PolarHBondContact O-N 3.42Å
167	N	71.9	Confident	67.9	Low	69 Å²	69	60.3 Å²	60.3	37%	0.369	30%	0.298	S	S	.	.	H	α-helix	trans	-64.6	-43.2	174.5	-72.3	-18.4	0	0	0	111.9	I163 L165 I169 R170 E171	I163-N167 WeakPolarHBondContact O-CB 3.27Å; I163-N167 VanDerWaalsContact O-CG 3.24Å; I163-N167 PolarHBondContact O-N 3.36Å; I163-N167 PolarHBondContact O-ND2 3.31Å; L165-N167 VanDerWaalsContact C-N 3.33Å; L165-N167 PolarHBondContact O-N 3.49Å; N167-I169 VanDerWaalsContact C-N 3.32Å; N167-I169 PolarHBondContact O-N 2.99Å; N167-R170 PolarHBondContact O-N 3.32Å; N167-R170 PolarHBondContact OD1-NH1 2.93Å; N167-E171 WeakPolarHBondContact O-CG 3.38Å; N167-E171 PolarHBondContact O-N 2.81Å
168	S	57.5	Low	66.8	Low	53 Å²	53	61.6 Å²	61.6	37%	0.371	30%	0.302	S	S	.	.	H	α-helix	trans	-63.4	-39.3	177.6	-54.8	0	0	0	0	111.7	K164 L165 L172	K164-S168 WeakPolarHBondContact O-CB 3.41Å; K164-S168 PolarHBondContact O-N 2.88Å; K164-S168 PolarHBondContact O-OG 3.14Å; L165-S168 PolarHBondContact O-N 3.17Å; L165-S168 VanDerWaalsContact O-N 3.17Å; S168-L172 WeakPolarHBondContact O-CB 3.41Å; S168-L172 PolarHBondContact O-N 3.33Å
169	I	62.9	Low	65.6	Low	26 Å²	26	61.9 Å²	61.9	13%	0.133	31%	0.305	C	S	.	.	H	α-helix	trans	-65.4	-42.7	174.7	-67.9	167	0	0	0	110.6	E97 L165 E166 N167 L172 H173	E97-I169 HydrophobicContact CB-CD1 3.97Å; E97-I169 HydrophobicContact CG-CD1 4.15Å; E97-I169 HydrophobicContact CG-CG2 4.48Å; L165-I169 HydrophobicContact CD1-CD1 4.06Å; L165-I169 HydrophobicContact CG-CD1 3.87Å; L165-I169 WeakPolarHBondContact O-CG1 3.17Å; L165-I169 PolarHBondContact O-N 3.38Å; E166-I169 PolarHBondContact O-N 2.98Å; N167-I169 VanDerWaalsContact C-N 3.32Å; N167-I169 PolarHBondContact O-N 2.99Å; I169-L172 PolarHBondContact O-N 3.07Å; I169-H173 WeakPolarHBondContact O-CB 3.43Å; I169-H173 PolarHBondContact O-N 2.92Å
170	R	66.1	Low	64	Low	133 Å²	133	63.6 Å²	63.6	50%	0.502	32%	0.32	S	S	.	.	H	α-helix	trans	-64.6	-48.7	-179.9	-171.2	-179.6	-66.2	105.6	0.3	112.4	E166 N167 L172 H173 D174	E166-R170 WeakPolarHBondContact O-CB 3.46Å; E166-R170 PolarHBondContact O-N 3.42Å; N167-R170 PolarHBondContact O-N 3.32Å; N167-R170 PolarHBondContact OD1-NH1 2.93Å; R170-L172 PolarHBondContact O-N 3.44Å; R170-H173 WeakPolarHBondContact O-CB 3.46Å; R170-H173 PolarHBondContact O-N 2.9Å; R170-D174 PolarHBondContact O-N 3.37Å
171	E	59.8	Low	63	Low	130 Å²	130	66.6 Å²	66.6	61%	0.607	33%	0.329	S	S	*	.	H	α-helix	trans	-57	-38	175.7	-73.1	175.2	-176	0	0	111.4	N167 D174 M175	N167-E171 WeakPolarHBondContact O-CG 3.38Å; N167-E171 PolarHBondContact O-N 2.81Å; E171-D174 PolarHBondContact O-N 3.15Å; E171-M175 WeakPolarHBondContact O-CG 3.31Å; E171-M175 PolarHBondContact O-N 3.33Å; E171-M175 VanDerWaalsContact O-N 3.07Å
172	L	56.4	Low	62	Low	16 Å²	16	69.4 Å²	69.4	8%	0.084	35%	0.345	C	S	.	.	H	α-helix	trans	-77.5	-32.8	-179	-176.7	50.5	0	0	0	113.5	I40 I44 V89 L93 S168 I169 R170 D174 M175 F176	I40-L172 HydrophobicContact CG2-CD1 4.45Å; I40-L172 HydrophobicContact CG2-CD2 3.54Å; I44-L172 HydrophobicContact CD1-CD1 3.52Å; I44-L172 HydrophobicContact CG1-CD1 4.26Å; V89-L172 HydrophobicContact CG1-CD1 4.01Å; L93-L172 HydrophobicContact CD1-CB 4.48Å; L93-L172 HydrophobicContact CD1-CD1 3.92Å; L93-L172 HydrophobicContact CD1-CD2 3.39Å; L93-L172 HydrophobicContact CD1-CG 3.28Å; L93-L172 HydrophobicContact CD2-CB 4.1Å; L93-L172 HydrophobicContact CD2-CD2 3.28Å; L93-L172 HydrophobicContact CD2-CG 3.6Å; L93-L172 HydrophobicContact CG-CD2 3.21Å; L93-L172 HydrophobicContact CG-CG 3.65Å; S168-L172 WeakPolarHBondContact O-CB 3.41Å; S168-L172 PolarHBondContact O-N 3.33Å; I169-L172 PolarHBondContact O-N 3.07Å; R170-L172 PolarHBondContact O-N 3.44Å; L172-D174 VanDerWaalsContact C-N 3.33Å; L172-M175 HydrophobicContact CB-CE 4.16Å; L172-M175 HydrophobicContact CD1-CE 3.78Å; L172-F176 WeakPolarHBondContact O-CB 3.31Å; L172-F176 PolarHBondContact O-N 3.28Å
173	H	60.3	Low	60.8	Low	98 Å²	98	73.2 Å²	73.2	45%	0.454	37%	0.368	S	S	.	.	H	α-helix	trans	-60.7	-43.2	167.9	173.9	-81.7	0	0	0	111.3	I169 R170 F176 M177	I169-H173 WeakPolarHBondContact O-CB 3.43Å; I169-H173 PolarHBondContact O-N 2.92Å; R170-H173 WeakPolarHBondContact O-CB 3.46Å; R170-H173 PolarHBondContact O-N 2.9Å; H173-F176 WeakPolarHBondContact O-CA 3.48Å; H173-F176 WeakPolarHBondContact O-CB 3.37Å; H173-F176 PolarHBondContact O-N 3.33Å; H173-F176 VanDerWaalsContact O-N 3.09Å; H173-M177 PolarHBondContact O-N 3.02Å
174	D	57.3	Low	59.5	Low	89 Å²	89	78.1 Å²	78.1	48%	0.476	39%	0.39	S	S	.	.	H	α-helix	trans	-65.6	-43.2	179.1	-70.3	-11.3	0	0	0	111.4	R170 E171 L172 F176 M177 D178	R170-D174 PolarHBondContact O-N 3.37Å; E171-D174 PolarHBondContact O-N 3.15Å; L172-D174 VanDerWaalsContact C-N 3.33Å; D174-F176 PolarHBondContact O-N 3.29Å; D174-M177 PolarHBondContact O-N 2.85Å; D174-D178 PolarHBondContact O-N 3.08Å; D174-D178 VanDerWaalsContact O-N 3.1Å
175	M	56.3	Low	58.4	Low	88 Å²	88	75 Å²	75	43%	0.433	38%	0.384	S	S	.	.	H	α-helix	trans	-58.8	-32.2	171.1	-72.4	-172.4	-74.2	0	0	112.8	I44 E171 L172 M179	I44-M175 HydrophobicContact CD1-CE 3.89Å; I44-M175 HydrophobicContact CD1-SD 4.48Å; I44-M175 HydrophobicContact CG2-SD 4.1Å; E171-M175 WeakPolarHBondContact O-CG 3.31Å; E171-M175 PolarHBondContact O-N 3.33Å; E171-M175 VanDerWaalsContact O-N 3.07Å; L172-M175 HydrophobicContact CB-CE 4.16Å; L172-M175 HydrophobicContact CD1-CE 3.78Å; M175-M179 WeakPolarHBondContact O-CB 3.36Å; M175-M179 PolarHBondContact O-N 3.49Å
176	F	54.9	Low	56.9	Low	54 Å²	54	76.5 Å²	76.5	24%	0.237	39%	0.392	C	S	.	.	H	α-helix	trans	-73.4	-38	177.4	-166.9	-91.2	0	0	0	112.6	R90 L172 H173 D174 M179 A180	R90-F176 HydrophobicContact CB-CE2 4.04Å; R90-F176 HydrophobicContact CG-CE2 4.34Å; R90-F176 HydrophobicContact CG-CZ 4.44Å; L172-F176 WeakPolarHBondContact O-CB 3.31Å; L172-F176 PolarHBondContact O-N 3.28Å; H173-F176 WeakPolarHBondContact O-CA 3.48Å; H173-F176 WeakPolarHBondContact O-CB 3.37Å; H173-F176 PolarHBondContact O-N 3.33Å; H173-F176 VanDerWaalsContact O-N 3.09Å; D174-F176 PolarHBondContact O-N 3.29Å; F176-M179 HydrophobicContact CD2-CE 3.64Å; F176-M179 HydrophobicContact CE2-CE 3.75Å; F176-M179 HydrophobicContact CG-CE 4.43Å; F176-M179 PolarHBondContact O-N 3.45Å; F176-A180 WeakPolarHBondContact O-CB 3.38Å; F176-A180 PolarHBondContact O-N 3.46Å
177	M	56.7	Low	55.7	Low	85 Å²	85	76.4 Å²	76.4	42%	0.419	41%	0.405	S	S	.	.	H	α-helix	trans	-65.8	-40.4	175.6	-73.1	-62.1	144.8	0	0	111.8	H173 D174 M179 A180 M181	H173-M177 PolarHBondContact O-N 3.02Å; D174-M177 PolarHBondContact O-N 2.85Å; M177-M179 PolarHBondContact O-N 3.03Å; M177-A180 PolarHBondContact O-N 2.95Å; M177-M181 WeakPolarHBondContact O-CG 3.35Å; M177-M181 PolarHBondContact O-N 3.35Å
178	D	57.2	Low	54.6	Low	97 Å²	97	79.9 Å²	79.9	52%	0.519	42%	0.419	S	S	.	.	H	α-helix	trans	-64.5	-40.3	175.6	-78	-11.7	0	0	0	112.1	D174 M181 L182	D174-D178 PolarHBondContact O-N 3.08Å; D174-D178 VanDerWaalsContact O-N 3.1Å; D178-M181 WeakPolarHBondContact OD1-CE 3.4Å; D178-L182 WeakPolarHBondContact O-CB 3.34Å; D178-L182 WeakPolarHBondContact O-CG 3.46Å; D178-L182 PolarHBondContact O-N 3.27Å
179	M	53.5	Low	54	Low	30 Å²	30	82.1 Å²	82.1	15%	0.148	43%	0.425	C	S	.	.	H	α-helix	trans	-68.3	-39.3	175.3	-176.6	-178.2	60.1	0	0	112.6	I47 A86 M175 F176 M177 M181 L182 V183	I47-M179 HydrophobicContact CD1-SD 4.14Å; I47-M179 HydrophobicContact CG2-SD 4.03Å; A86-M179 HydrophobicContact CB-CE 3.34Å; A86-M179 HydrophobicContact CB-SD 3.66Å; M175-M179 WeakPolarHBondContact O-CB 3.36Å; M175-M179 PolarHBondContact O-N 3.49Å; F176-M179 HydrophobicContact CD2-CE 3.64Å; F176-M179 HydrophobicContact CE2-CE 3.75Å; F176-M179 HydrophobicContact CG-CE 4.43Å; F176-M179 PolarHBondContact O-N 3.45Å; M177-M179 PolarHBondContact O-N 3.03Å; M179-M181 VanDerWaalsContact C-N 3.34Å; M179-L182 PolarHBondContact O-N 3.19Å; M179-V183 HydrophobicContact CG-CG2 4.35Å; M179-V183 WeakPolarHBondContact O-CG2 3.28Å; M179-V183 PolarHBondContact O-N 3.31Å
180	A	48.7	Very low	53.4	Low	40 Å²	40	83.3 Å²	83.3	33%	0.331	43%	0.431	S	S	.	.	H	α-helix	trans	-61.4	-43.8	176.4	0	0	0	0	0	111.2	F176 M177 V183 E184	F176-A180 WeakPolarHBondContact O-CB 3.38Å; F176-A180 PolarHBondContact O-N 3.46Å; M177-A180 PolarHBondContact O-N 2.95Å; A180-V183 PolarHBondContact O-N 3.44Å; A180-E184 WeakPolarHBondContact O-CB 3.38Å; A180-E184 PolarHBondContact O-N 2.69Å
181	M	56.8	Low	52.7	Low	113 Å²	113	82.2 Å²	82.2	56%	0.557	44%	0.435	S	S	*	.	H	α-helix	trans	-64	-39.3	174.2	-72.8	-171.9	-73.3	0	0	112.9	M177 D178 M179 S185	M177-M181 WeakPolarHBondContact O-CG 3.35Å; M177-M181 PolarHBondContact O-N 3.35Å; D178-M181 WeakPolarHBondContact OD1-CE 3.4Å; M179-M181 VanDerWaalsContact C-N 3.34Å; M181-S185 WeakPolarHBondContact O-CB 3.33Å; M181-S185 PolarHBondContact O-N 2.94Å; M181-S185 VanDerWaalsContact O-N 3.08Å; M181-S185 PolarHBondContact O-OG 3.05Å
182	L	52.8	Low	52.3	Low	86 Å²	86	84 Å²	84	45%	0.45	44%	0.436	S	S	.	.	H	α-helix	trans	-68.5	-37.4	178	-78.3	170.4	0	0	0	113.1	D178 M179 S185 Q186	D178-L182 WeakPolarHBondContact O-CB 3.34Å; D178-L182 WeakPolarHBondContact O-CG 3.46Å; D178-L182 PolarHBondContact O-N 3.27Å; M179-L182 PolarHBondContact O-N 3.19Å; L182-S185 PolarHBondContact O-OG 3.47Å; L182-Q186 WeakPolarHBondContact O-CB 3.39Å; L182-Q186 VanDerWaalsContact O-CG 3.28Å; L182-Q186 WeakPolarHBondContact O-CG 3.36Å; L182-Q186 PolarHBondContact O-N 2.95Å; L182-Q186 PolarHBondContact O-NE2 3.15Å
183	V	53.2	Low	52	Low	82 Å²	82	84.1 Å²	84.1	50%	0.497	44%	0.437	S	S	.	.	H	α-helix	trans	-75.3	-38	178.8	173.3	0	0	0	0	111.2	M179 A180 Q186 G187	M179-V183 HydrophobicContact CG-CG2 4.35Å; M179-V183 WeakPolarHBondContact O-CG2 3.28Å; M179-V183 PolarHBondContact O-N 3.31Å; A180-V183 PolarHBondContact O-N 3.44Å; V183-Q186 PolarHBondContact O-N 3.27Å; V183-G187 PolarHBondContact O-N 3.23Å
184	E	51.8	Low	51.5	Low	159 Å²	159	84.9 Å²	84.9	74%	0.743	44%	0.44	S	S	*	.	H	α-helix	trans	-67.6	-40.8	177.9	-170.5	164	-163.7	0	0	112	A180 Q186 G187	A180-E184 WeakPolarHBondContact O-CB 3.38Å; A180-E184 PolarHBondContact O-N 2.69Å; E184-Q186 PolarHBondContact O-N 2.99Å; E184-G187 PolarHBondContact O-N 3.35Å
185	S	50.4	Low	51.6	Low	66 Å²	66	87.2 Å²	87.2	46%	0.462	44%	0.443	S	S	.	.	H	α-helix	trans	-73.3	-22.4	176.5	59.7	0	0	0	0	114.7	M181 L182	M181-S185 WeakPolarHBondContact O-CB 3.33Å; M181-S185 PolarHBondContact O-N 2.94Å; M181-S185 VanDerWaalsContact O-N 3.08Å; M181-S185 PolarHBondContact O-OG 3.05Å; L182-S185 PolarHBondContact O-OG 3.47Å
186	Q	38.5	Very low	51.5	Low	38 Å²	38	88.2 Å²	88.2	18%	0.178	45%	0.451	C	S	.	.	H	α-helix	trans	-82.9	-21.1	176.6	-78.9	175.2	87	0	0	113.3	V54 L182 V183 E184 E188 M189	V54-Q186 VanDerWaalsContact CG1-OE1 3.29Å; L182-Q186 WeakPolarHBondContact O-CB 3.39Å; L182-Q186 VanDerWaalsContact O-CG 3.28Å; L182-Q186 WeakPolarHBondContact O-CG 3.36Å; L182-Q186 PolarHBondContact O-N 2.95Å; L182-Q186 PolarHBondContact O-NE2 3.15Å; V183-Q186 PolarHBondContact O-N 3.27Å; E184-Q186 PolarHBondContact O-N 2.99Å; Q186-E188 PolarHBondContact O-N 3.03Å; Q186-M189 PolarHBondContact O-N 3.25Å
187	G	46.9	Very low	51.5	Low	52 Å²	52	86.5 Å²	86.5	54%	0.536	45%	0.445	S	S	.	.	H	α-helix	trans	-64.3	-34.5	175.3	0	0	0	0	0	114.3	V183 E184	V183-G187 PolarHBondContact O-N 3.23Å; E184-G187 PolarHBondContact O-N 3.35Å
188	E	48.3	Very low	51.2	Low	143 Å²	143	88.3 Å²	88.3	67%	0.668	45%	0.452	S	S	*	.	H	α-helix	trans	-79.2	-19.4	176.8	-83.3	-164.9	146.2	0	0	113.9	Q186	Q186-E188 PolarHBondContact O-N 3.03Å
189	M	46	Very low	50.9	Low	99 Å²	99	87 Å²	87	49%	0.488	44%	0.442	S	S	.	.	H	α-helix	trans	-86.3	-27.7	-174	-148.5	-176.4	-57.2	0	0	112.7	Q186 D191 R192 I193	Q186-M189 PolarHBondContact O-N 3.25Å; M189-D191 VanDerWaalsContact C-N 3.32Å; M189-D191 PolarHBondContact O-N 3.22Å; M189-R192 PolarHBondContact O-N 3.48Å; M189-I193 WeakPolarHBondContact O-CG1 3.18Å; M189-I193 PolarHBondContact O-N 3.1Å; M189-I193 VanDerWaalsContact O-N 3.1Å
190	I	49.8	Very low	50.9	Low	52 Å²	52	87.2 Å²	87.2	27%	0.267	45%	0.449	S	S	.	.	H	α-helix	trans	-59.9	-43.2	174.1	-114.8	169.2	0	0	0	111.1	L75 M79 R192 I193 E194	L75-I190 HydrophobicContact CD2-CD1 4.17Å; L75-I190 HydrophobicContact CD2-CG1 4.47Å; M79-I190 HydrophobicContact CE-CD1 3.27Å; M79-I190 HydrophobicContact SD-CD1 4.03Å; I190-R192 VanDerWaalsContact C-N 3.3Å; I190-R192 PolarHBondContact O-N 3.34Å; I190-I193 PolarHBondContact O-N 3.49Å; I190-E194 PolarHBondContact O-N 3.5Å
191	D	50.6	Low	51.2	Low	109 Å²	109	87.6 Å²	87.6	58%	0.583	45%	0.447	S	S	*	.	H	α-helix	trans	-62.5	-35.5	177.1	-99.2	9.2	0	0	0	112.1	M189 Y195	M189-D191 VanDerWaalsContact C-N 3.32Å; M189-D191 PolarHBondContact O-N 3.22Å; D191-Y195 VanDerWaalsContact O-CB 3.26Å; D191-Y195 WeakPolarHBondContact O-CB 3.31Å; D191-Y195 PolarHBondContact O-N 3.49Å
192	R	51.8	Low	51.2	Low	169 Å²	169	85 Å²	85	64%	0.638	44%	0.436	S	S	*	.	H	α-helix	trans	-75.7	-30.8	178.9	-71.9	-172.1	-169.7	-159.2	6.2	113.4	M189 I190 N196	M189-R192 PolarHBondContact O-N 3.48Å; I190-R192 VanDerWaalsContact C-N 3.3Å; I190-R192 PolarHBondContact O-N 3.34Å; R192-N196 WeakPolarHBondContact O-CB 3.34Å; R192-N196 PolarHBondContact O-N 3.45Å
193	I	49.9	Very low	51.7	Low	17 Å²	17	89.1 Å²	89.1	9%	0.087	45%	0.446	C	S	.	.	H	α-helix	trans	-70.2	-45.2	173.9	-68.7	177.3	0	0	0	109.2	I61 L62 M189 I190 Y195 N196 V197	I61-I193 HydrophobicContact CG2-CD1 4.47Å; I61-I193 HydrophobicContact CG2-CG2 3.5Å; I61-I193 VanDerWaalsContact CG2-CG2 3.5Å; L62-I193 HydrophobicContact CD2-CD1 3.81Å; L62-I193 HydrophobicContact CD2-CG1 3.72Å; L62-I193 HydrophobicContact CG-CD1 4Å; L62-I193 HydrophobicContact CG-CG1 4.46Å; M189-I193 WeakPolarHBondContact O-CG1 3.18Å; M189-I193 PolarHBondContact O-N 3.1Å; M189-I193 VanDerWaalsContact O-N 3.1Å; I190-I193 PolarHBondContact O-N 3.49Å; I193-Y195 VanDerWaalsContact C-N 3.32Å; I193-Y195 PolarHBondContact O-N 3.33Å; I193-N196 PolarHBondContact O-N 3.04Å; I193-V197 HydrophobicContact CG2-CG2 3.99Å; I193-V197 WeakPolarHBondContact O-CB 3.28Å; I193-V197 WeakPolarHBondContact O-CG2 3.29Å; I193-V197 PolarHBondContact O-N 2.96Å
194	E	50.3	Low	51.9	Low	114 Å²	114	89.4 Å²	89.4	53%	0.533	45%	0.448	S	S	.	.	H	α-helix	trans	-56.7	-48.3	173.5	-170.7	168.7	-164.4	0	0	110.6	I190 N196 V197 E198	I190-E194 PolarHBondContact O-N 3.5Å; E194-N196 PolarHBondContact O-N 3.18Å; E194-V197 PolarHBondContact O-N 3.46Å; E194-E198 WeakPolarHBondContact O-CB 3.47Å; E194-E198 PolarHBondContact O-N 3.41Å
195	Y	58.7	Low	52.2	Low	138 Å²	138	88 Å²	88	54%	0.541	44%	0.442	S	S	.	.	H	α-helix	trans	-58	-48.7	175.9	-175.8	-98.7	0	0	0	113.5	D191 I193 H199	D191-Y195 VanDerWaalsContact O-CB 3.26Å; D191-Y195 WeakPolarHBondContact O-CB 3.31Å; D191-Y195 PolarHBondContact O-N 3.49Å; I193-Y195 VanDerWaalsContact C-N 3.32Å; I193-Y195 PolarHBondContact O-N 3.33Å; Y195-H199 AromaticContact CD1-CD2 3.8Å; Y195-H199 AromaticContact CD2-CD2 3.85Å; Y195-H199 AromaticContact CD2-NE2 3.67Å; Y195-H199 AromaticContact CE1-CD2 3.52Å; Y195-H199 AromaticContact CE1-NE2 3.79Å; Y195-H199 AromaticContact CE2-CD2 3.57Å; Y195-H199 AromaticContact CE2-NE2 3.05Å; Y195-H199 WeakPolarHBondContact CE2-NE2 3.18Å; Y195-H199 AromaticContact CG-CD2 3.95Å; Y195-H199 AromaticContact CZ-CD2 3.38Å; Y195-H199 AromaticContact CZ-NE2 3.11Å; Y195-H199 WeakPolarHBondContact O-CB 3.3Å; Y195-H199 PolarHBondContact O-CD2 2.84Å; Y195-H199 PolarHBondContact O-N 3.46Å; Y195-H199 VanDerWaalsContact O-N 3.09Å; Y195-H199 PolarHBondContact OH-NE2 2.89Å
196	N	54.2	Low	53	Low	109 Å²	109	92.3 Å²	92.3	58%	0.583	45%	0.448	S	S	*	.	H	α-helix	trans	-72.6	-36	-177.6	-81.9	6.2	0	0	0	112.8	R192 I193 E194 A200	R192-N196 WeakPolarHBondContact O-CB 3.34Å; R192-N196 PolarHBondContact O-N 3.45Å; I193-N196 PolarHBondContact O-N 3.04Å; E194-N196 PolarHBondContact O-N 3.18Å; N196-A200 VanDerWaalsContact O-CB 3.31Å; N196-A200 WeakPolarHBondContact O-CB 3.26Å; N196-A200 PolarHBondContact O-N 3.47Å
197	V	54.3	Low	54	Low	19 Å²	19	93 Å²	93	12%	0.115	46%	0.461	C	S	.	.	H	α-helix	trans	-71.3	-45.3	176.9	168.8	0	0	0	0	110.3	P67 I193 E194 H199 A200 V201	P67-V197 VanDerWaalsContact CD-CG1 3.5Å; P67-V197 HydrophobicContact CG-CG1 4.04Å; P67-V197 HydrophobicContact CG-CG2 4.15Å; I193-V197 HydrophobicContact CG2-CG2 3.99Å; I193-V197 WeakPolarHBondContact O-CB 3.28Å; I193-V197 WeakPolarHBondContact O-CG2 3.29Å; I193-V197 PolarHBondContact O-N 2.96Å; E194-V197 PolarHBondContact O-N 3.46Å; V197-H199 VanDerWaalsContact C-N 3.32Å; V197-H199 PolarHBondContact O-N 2.81Å; V197-A200 PolarHBondContact O-N 3.33Å; V197-V201 HydrophobicContact CG1-CG2 4.41Å; V197-V201 VanDerWaalsContact O-CG2 3.3Å; V197-V201 WeakPolarHBondContact O-CG2 3.36Å; V197-V201 PolarHBondContact O-N 3.29Å
198	E	51.1	Low	54.8	Low	122 Å²	122	94.7 Å²	94.7	57%	0.57	46%	0.46	S	S	*	.	H	α-helix	trans	-55.4	-49.6	174.9	-176.4	-178.5	-166.4	0	0	110.1	E194 A200 V201 D202	E194-E198 WeakPolarHBondContact O-CB 3.47Å; E194-E198 PolarHBondContact O-N 3.41Å; E198-A200 PolarHBondContact O-N 2.91Å; E198-V201 PolarHBondContact O-N 2.88Å; E198-D202 WeakPolarHBondContact O-CB 3.12Å; E198-D202 PolarHBondContact O-N 3.08Å
199	H	51.9	Low	55.9	Low	69 Å²	69	90.4 Å²	90.4	32%	0.319	45%	0.446	S	S	.	.	H	α-helix	trans	-64.6	-39.9	177.4	-76.5	-48.7	0	0	0	113.3	Y195 V197 V201 D202 Y203	Y195-H199 AromaticContact CD1-CD2 3.8Å; Y195-H199 AromaticContact CD2-CD2 3.85Å; Y195-H199 AromaticContact CD2-NE2 3.67Å; Y195-H199 AromaticContact CE1-CD2 3.52Å; Y195-H199 AromaticContact CE1-NE2 3.79Å; Y195-H199 AromaticContact CE2-CD2 3.57Å; Y195-H199 AromaticContact CE2-NE2 3.05Å; Y195-H199 WeakPolarHBondContact CE2-NE2 3.18Å; Y195-H199 AromaticContact CG-CD2 3.95Å; Y195-H199 AromaticContact CZ-CD2 3.38Å; Y195-H199 AromaticContact CZ-NE2 3.11Å; Y195-H199 WeakPolarHBondContact O-CB 3.3Å; Y195-H199 PolarHBondContact O-CD2 2.84Å; Y195-H199 PolarHBondContact O-N 3.46Å; Y195-H199 VanDerWaalsContact O-N 3.09Å; Y195-H199 PolarHBondContact OH-NE2 2.89Å; V197-H199 VanDerWaalsContact C-N 3.32Å; V197-H199 PolarHBondContact O-N 2.81Å; H199-V201 VanDerWaalsContact C-N 3.35Å; H199-V201 PolarHBondContact O-N 2.93Å; H199-D202 PolarHBondContact O-N 3.46Å; H199-Y203 WeakPolarHBondContact O-CD2 3.3Å; H199-Y203 PolarHBondContact O-N 3.33Å
200	A	52	Low	57.2	Low	35 Å²	35	89.8 Å²	89.8	29%	0.289	45%	0.445	S	S	.	.	H	α-helix	trans	-62.2	-42.1	176.3	0	0	0	0	0	112	N196 V197 E198 Y203 V204	N196-A200 VanDerWaalsContact O-CB 3.31Å; N196-A200 WeakPolarHBondContact O-CB 3.26Å; N196-A200 PolarHBondContact O-N 3.47Å; V197-A200 PolarHBondContact O-N 3.33Å; E198-A200 PolarHBondContact O-N 2.91Å; A200-Y203 PolarHBondContact O-N 3.45Å; A200-V204 VanDerWaalsContact O-CG2 3.28Å; A200-V204 WeakPolarHBondContact O-CG2 3.37Å; A200-V204 PolarHBondContact O-N 2.95Å
201	V	55.7	Low	58.1	Low	48 Å²	48	91.4 Å²	91.4	29%	0.291	46%	0.457	S	S	.	.	H	α-helix	trans	-62.4	-45.3	174.5	172.3	0	0	0	0	110.7	N66 V197 E198 H199 Y203 V204 E205	N66-V201 VanDerWaalsContact OD1-CG2 3.29Å; N66-V201 WeakPolarHBondContact OD1-CG2 3.22Å; V197-V201 HydrophobicContact CG1-CG2 4.41Å; V197-V201 VanDerWaalsContact O-CG2 3.3Å; V197-V201 WeakPolarHBondContact O-CG2 3.36Å; V197-V201 PolarHBondContact O-N 3.29Å; E198-V201 PolarHBondContact O-N 2.88Å; H199-V201 VanDerWaalsContact C-N 3.35Å; H199-V201 PolarHBondContact O-N 2.93Å; V201-Y203 VanDerWaalsContact C-N 3.34Å; V201-Y203 PolarHBondContact O-N 2.89Å; V201-V204 PolarHBondContact O-N 2.95Å; V201-E205 WeakPolarHBondContact O-CB 3.13Å; V201-E205 PolarHBondContact O-N 3.48Å
202	D	57.3	Low	59.1	Low	58 Å²	58	93 Å²	93	31%	0.31	46%	0.459	S	S	.	.	H	α-helix	trans	-62.6	-39.6	179.8	-137.8	45.3	0	0	0	112	E198 H199 R206	E198-D202 WeakPolarHBondContact O-CB 3.12Å; E198-D202 PolarHBondContact O-N 3.08Å; H199-D202 PolarHBondContact O-N 3.46Å; D202-R206 WeakPolarHBondContact O-CB 3.44Å; D202-R206 VanDerWaalsContact O-CG 3.25Å; D202-R206 WeakPolarHBondContact O-CG 3.38Å; D202-R206 PolarHBondContact O-N 2.99Å; D202-R206 VanDerWaalsContact O-N 3.11Å; D202-R206 IonicContact OD2-CZ 2.94Å; D202-R206 IonicContact OD2-NE 3.13Å; D202-R206 PolarHBondContact OD2-NE 3.11Å; D202-R206 IonicContact OD2-NH2 3.74Å; D202-R206 PolarHBondContact OD2-NH2 2.91Å
203	Y	62.9	Low	60.4	Low	173 Å²	173	89.7 Å²	89.7	68%	0.678	45%	0.449	S	S	*	.	H	α-helix	trans	-64.9	-43.4	173.6	-87.6	-70.3	0	0	0	112.3	H199 A200 V201 A207	H199-Y203 WeakPolarHBondContact O-CD2 3.3Å; H199-Y203 PolarHBondContact O-N 3.33Å; A200-Y203 PolarHBondContact O-N 3.45Å; V201-Y203 VanDerWaalsContact C-N 3.34Å; V201-Y203 PolarHBondContact O-N 2.89Å; Y203-A207 WeakPolarHBondContact O-CB 3.48Å; Y203-A207 PolarHBondContact O-N 2.86Å
204	V	57.7	Low	61.6	Low	89 Å²	89	91.5 Å²	91.5	54%	0.539	47%	0.467	S	S	.	.	H	α-helix	trans	-67.1	-41.6	179.2	170.9	0	0	0	0	110.9	A200 V201 A207 V208	A200-V204 VanDerWaalsContact O-CG2 3.28Å; A200-V204 WeakPolarHBondContact O-CG2 3.37Å; A200-V204 PolarHBondContact O-N 2.95Å; V201-V204 PolarHBondContact O-N 2.95Å; V204-A207 PolarHBondContact O-N 3.17Å; V204-V208 HydrophobicContact CG1-CG2 4.41Å; V204-V208 VanDerWaalsContact O-CG2 3.3Å; V204-V208 WeakPolarHBondContact O-CG2 3.47Å; V204-V208 PolarHBondContact O-N 3.3Å
205	E	58.5	Low	62.7	Low	129 Å²	129	90.3 Å²	90.3	60%	0.603	47%	0.467	S	S	*	.	H	α-helix	trans	-65.1	-42.4	179.2	-170	169.6	-170.9	0	0	112	V201 V208 S209	V201-E205 WeakPolarHBondContact O-CB 3.13Å; V201-E205 PolarHBondContact O-N 3.48Å; E205-V208 PolarHBondContact O-N 2.93Å; E205-S209 WeakPolarHBondContact O-CB 3.45Å; E205-S209 PolarHBondContact O-N 3.26Å
206	R	65.6	Low	63.7	Low	156 Å²	156	89.9 Å²	89.9	59%	0.589	47%	0.468	S	S	*	.	H	α-helix	trans	-62.2	-43.4	172.8	-70.2	175.5	-165.3	-163.5	8.5	111.7	D202 V208 S209 D210	D202-R206 WeakPolarHBondContact O-CB 3.44Å; D202-R206 VanDerWaalsContact O-CG 3.25Å; D202-R206 WeakPolarHBondContact O-CG 3.38Å; D202-R206 PolarHBondContact O-N 2.99Å; D202-R206 VanDerWaalsContact O-N 3.11Å; D202-R206 IonicContact OD2-CZ 2.94Å; D202-R206 IonicContact OD2-NE 3.13Å; D202-R206 PolarHBondContact OD2-NE 3.11Å; D202-R206 IonicContact OD2-NH2 3.74Å; D202-R206 PolarHBondContact OD2-NH2 2.91Å; R206-V208 PolarHBondContact O-N 3.09Å; R206-S209 WeakPolarHBondContact O-CB 3.25Å; R206-S209 PolarHBondContact O-N 2.91Å; R206-D210 WeakPolarHBondContact O-CB 3.36Å; R206-D210 PolarHBondContact O-N 2.98Å
207	A	60.8	Low	65	Low	54 Å²	54	92.5 Å²	92.5	45%	0.446	47%	0.471	S	S	.	.	H	α-helix	trans	-62.3	-40.4	176.5	0	0	0	0	0	112.4	Y203 V204 D210 T211	Y203-A207 WeakPolarHBondContact O-CB 3.48Å; Y203-A207 PolarHBondContact O-N 2.86Å; V204-A207 PolarHBondContact O-N 3.17Å; A207-D210 PolarHBondContact O-N 3.41Å; A207-T211 WeakPolarHBondContact O-CB 3.32Å; A207-T211 WeakPolarHBondContact O-CG2 3.47Å; A207-T211 PolarHBondContact O-N 2.94Å; A207-T211 PolarHBondContact O-OG1 3.47Å
208	V	63.2	Low	66	Low	86 Å²	86	96.8 Å²	96.8	52%	0.521	49%	0.49	S	S	.	.	H	α-helix	trans	-65.8	-40.7	174.7	171.7	0	0	0	0	111.3	V204 E205 R206 T211 K212	V204-V208 HydrophobicContact CG1-CG2 4.41Å; V204-V208 VanDerWaalsContact O-CG2 3.3Å; V204-V208 WeakPolarHBondContact O-CG2 3.47Å; V204-V208 PolarHBondContact O-N 3.3Å; E205-V208 PolarHBondContact O-N 2.93Å; R206-V208 PolarHBondContact O-N 3.09Å; V208-T211 WeakPolarHBondContact CA-OG1 3.48Å; V208-T211 PolarHBondContact O-OG1 3.06Å; V208-K212 WeakPolarHBondContact O-CB 3.41Å; V208-K212 PolarHBondContact O-N 3.07Å; V208-K212 VanDerWaalsContact O-N 3.08Å
209	S	71.8	Confident	67.2	Low	54 Å²	54	92.8 Å²	92.8	38%	0.378	48%	0.475	S	S	.	.	H	α-helix	trans	-62.9	-45.5	176.2	-171.8	0	0	0	0	111.9	E205 R206 K212 K213	E205-S209 WeakPolarHBondContact O-CB 3.45Å; E205-S209 PolarHBondContact O-N 3.26Å; R206-S209 WeakPolarHBondContact O-CB 3.25Å; R206-S209 PolarHBondContact O-N 2.91Å; S209-K212 WeakPolarHBondContact O-CB 3.44Å; S209-K212 PolarHBondContact O-N 3.16Å; S209-K213 WeakPolarHBondContact O-CG 3.05Å; S209-K213 PolarHBondContact O-N 2.96Å
210	D	72.2	Confident	68.7	Low	86 Å²	86	95.9 Å²	95.9	46%	0.46	49%	0.488	S	S	.	.	H	α-helix	trans	-72.7	-36.3	-177.6	-73.7	-15.4	0	0	0	112.6	R206 A207 K212 K213 A214	R206-D210 WeakPolarHBondContact O-CB 3.36Å; R206-D210 PolarHBondContact O-N 2.98Å; A207-D210 PolarHBondContact O-N 3.41Å; D210-K212 VanDerWaalsContact C-N 3.32Å; D210-K212 PolarHBondContact O-N 3.42Å; D210-K213 PolarHBondContact O-N 3.38Å; D210-K213 IonicContact OD1-NZ 3.39Å; D210-K213 PolarHBondContact OD1-NZ 2.95Å; D210-A214 WeakPolarHBondContact O-CB 3.46Å; D210-A214 PolarHBondContact O-N 2.82Å
211	T	70.4	Confident	70.1	Confident	86 Å²	86	96.4 Å²	96.4	53%	0.528	49%	0.492	S	S	.	.	H	α-helix	trans	-62.3	-39.9	170.6	52.5	0	0	0	0	111.4	A207 V208 A214 V215	A207-T211 WeakPolarHBondContact O-CB 3.32Å; A207-T211 WeakPolarHBondContact O-CG2 3.47Å; A207-T211 PolarHBondContact O-N 2.94Å; A207-T211 PolarHBondContact O-OG1 3.47Å; V208-T211 WeakPolarHBondContact CA-OG1 3.48Å; V208-T211 PolarHBondContact O-OG1 3.06Å; T211-A214 PolarHBondContact O-N 3.22Å; T211-V215 WeakPolarHBondContact O-CG2 3.48Å; T211-V215 PolarHBondContact O-N 3.29Å
212	K	70.7	Confident	71.3	Confident	141 Å²	141	100 Å²	100	61%	0.613	50%	0.501	S	S	*	.	H	α-helix	trans	-64.9	-40.8	175.2	-165.2	172.8	-171.6	172.2	0	112.3	V208 S209 D210 K216	V208-K212 WeakPolarHBondContact O-CB 3.41Å; V208-K212 PolarHBondContact O-N 3.07Å; V208-K212 VanDerWaalsContact O-N 3.08Å; S209-K212 WeakPolarHBondContact O-CB 3.44Å; S209-K212 PolarHBondContact O-N 3.16Å; D210-K212 VanDerWaalsContact C-N 3.32Å; D210-K212 PolarHBondContact O-N 3.42Å; K212-K216 WeakPolarHBondContact O-CG 3.47Å; K212-K216 PolarHBondContact O-N 2.9Å; K212-K216 VanDerWaalsContact O-N 3.16Å
213	K	79.9	Confident	72.5	Confident	100 Å²	100	106.4 Å²	106.4	44%	0.435	52%	0.52	S	S	.	.	H	α-helix	trans	-63.6	-45.6	172.1	-69.2	173.1	-158.3	151.9	0	110.9	S209 D210 V215 K216 Y217	S209-K213 WeakPolarHBondContact O-CG 3.05Å; S209-K213 PolarHBondContact O-N 2.96Å; D210-K213 PolarHBondContact O-N 3.38Å; D210-K213 IonicContact OD1-NZ 3.39Å; D210-K213 PolarHBondContact OD1-NZ 2.95Å; K213-V215 VanDerWaalsContact C-N 3.33Å; K213-V215 PolarHBondContact O-N 2.95Å; K213-K216 CarbonylContact O-C 3.58Å; K213-K216 WeakPolarHBondContact O-CA 3.42Å; K213-K216 WeakPolarHBondContact O-CB 3.33Å; K213-K216 PolarHBondContact O-N 3.23Å; K213-Y217 HydrophobicContact CB-CD2 4.37Å; K213-Y217 HydrophobicContact CB-CE2 4.26Å; K213-Y217 WeakPolarHBondContact O-CD2 3.48Å; K213-Y217 PolarHBondContact O-N 3.5Å
214	A	74.6	Confident	73.6	Confident	56 Å²	56	105.3 Å²	105.3	46%	0.463	52%	0.519	S	S	.	.	H	α-helix	trans	-58.5	-42.8	179.2	0	0	0	0	0	111.9	D210 T211 K216 Y217 Q218	D210-A214 WeakPolarHBondContact O-CB 3.46Å; D210-A214 PolarHBondContact O-N 2.82Å; T211-A214 PolarHBondContact O-N 3.22Å; A214-K216 PolarHBondContact O-N 2.79Å; A214-Y217 PolarHBondContact O-N 3.28Å; A214-Q218 WeakPolarHBondContact O-CB 3.42Å; A214-Q218 PolarHBondContact O-N 2.8Å
215	V	73.4	Confident	74.9	Confident	89 Å²	89	108 Å²	108	54%	0.539	52%	0.524	S	S	.	.	H	α-helix	trans	-62.9	-40.8	174.1	172.8	0	0	0	0	111.8	T211 K213 Q218 S219	T211-V215 WeakPolarHBondContact O-CG2 3.48Å; T211-V215 PolarHBondContact O-N 3.29Å; K213-V215 VanDerWaalsContact C-N 3.33Å; K213-V215 PolarHBondContact O-N 2.95Å; V215-Q218 PolarHBondContact O-N 3.45Å; V215-S219 WeakPolarHBondContact O-CB 3.47Å; V215-S219 PolarHBondContact O-N 3.3Å; V215-S219 PolarHBondContact O-OG 2.95Å
216	K	79.9	Confident	76.3	Confident	128 Å²	128	106.7 Å²	106.7	56%	0.557	52%	0.52	S	S	*	.	H	α-helix	trans	-63.9	-39.8	174.2	-74.3	-179.4	179.9	-179.1	0	111.9	K212 K213 A214 S219 K220	K212-K216 WeakPolarHBondContact O-CG 3.47Å; K212-K216 PolarHBondContact O-N 2.9Å; K212-K216 VanDerWaalsContact O-N 3.16Å; K213-K216 CarbonylContact O-C 3.58Å; K213-K216 WeakPolarHBondContact O-CA 3.42Å; K213-K216 WeakPolarHBondContact O-CB 3.33Å; K213-K216 PolarHBondContact O-N 3.23Å; A214-K216 PolarHBondContact O-N 2.79Å; K216-S219 WeakPolarHBondContact CA-OG 3.34Å; K216-S219 PolarHBondContact O-OG 2.93Å; K216-K220 WeakPolarHBondContact O-CG 3.47Å; K216-K220 PolarHBondContact O-N 3.3Å; K216-K220 VanDerWaalsContact O-N 3.15Å
217	Y	81.1	Confident	77.2	Confident	164 Å²	164	105.3 Å²	105.3	64%	0.643	52%	0.521	S	S	*	.	H	α-helix	trans	-68.7	-42.9	175.8	-77.1	-67.7	0	0	0	111.9	K213 A214 S219 K220 A221	K213-Y217 HydrophobicContact CB-CD2 4.37Å; K213-Y217 HydrophobicContact CB-CE2 4.26Å; K213-Y217 WeakPolarHBondContact O-CD2 3.48Å; K213-Y217 PolarHBondContact O-N 3.5Å; A214-Y217 PolarHBondContact O-N 3.28Å; Y217-S219 VanDerWaalsContact C-N 3.34Å; Y217-S219 PolarHBondContact O-N 3.48Å; Y217-K220 PolarHBondContact O-N 3.48Å; Y217-A221 WeakPolarHBondContact O-CB 3.46Å; Y217-A221 PolarHBondContact O-N 3.3Å
218	Q	74.6	Confident	78.6	Confident	109 Å²	109	107.8 Å²	107.8	51%	0.509	53%	0.526	S	S	.	.	H	α-helix	trans	-61.3	-42.8	177.9	-163	-163.2	38.6	0	0	111.4	A214 V215 A221 R222	A214-Q218 WeakPolarHBondContact O-CB 3.42Å; A214-Q218 PolarHBondContact O-N 2.8Å; V215-Q218 PolarHBondContact O-N 3.45Å; Q218-A221 PolarHBondContact O-N 3.22Å; Q218-R222 WeakPolarHBondContact O-CG 3.36Å; Q218-R222 PolarHBondContact O-N 3.29Å
219	S	77.8	Confident	79.9	Confident	39 Å²	39	108.8 Å²	108.8	27%	0.273	53%	0.527	S	S	.	.	H	α-helix	trans	-66.3	-40.3	177.1	55	0	0	0	0	112.8	V215 K216 Y217 R222 R223	V215-S219 WeakPolarHBondContact O-CB 3.47Å; V215-S219 PolarHBondContact O-N 3.3Å; V215-S219 PolarHBondContact O-OG 2.95Å; K216-S219 WeakPolarHBondContact CA-OG 3.34Å; K216-S219 PolarHBondContact O-OG 2.93Å; Y217-S219 VanDerWaalsContact C-N 3.34Å; Y217-S219 PolarHBondContact O-N 3.48Å; S219-R222 PolarHBondContact O-N 3.15Å; S219-R223 WeakPolarHBondContact O-CG 3.11Å; S219-R223 PolarHBondContact O-N 2.85Å
220	K	83.4	Confident	80.9	Confident	133 Å²	133	110.1 Å²	110.1	58%	0.578	53%	0.529	S	S	*	.	H	α-helix	trans	-65.1	-41.9	172.8	-72.4	178.9	-179	-176.6	0	112.2	K216 Y217 R223 K224	K216-K220 WeakPolarHBondContact O-CG 3.47Å; K216-K220 PolarHBondContact O-N 3.3Å; K216-K220 VanDerWaalsContact O-N 3.15Å; Y217-K220 PolarHBondContact O-N 3.48Å; K220-R223 PolarHBondContact O-N 2.86Å; K220-K224 WeakPolarHBondContact O-CG 3.35Å; K220-K224 PolarHBondContact O-N 3Å
221	A	80.1	Confident	81.7	Confident	46 Å²	46	109.4 Å²	109.4	38%	0.38	53%	0.53	S	S	.	.	H	α-helix	trans	-63.1	-40.9	177.4	0	0	0	0	0	111.8	Y217 Q218 R223 K224 K225	Y217-A221 WeakPolarHBondContact O-CB 3.46Å; Y217-A221 PolarHBondContact O-N 3.3Å; Q218-A221 PolarHBondContact O-N 3.22Å; A221-R223 PolarHBondContact O-N 3.46Å; A221-K224 PolarHBondContact O-N 3.38Å; A221-K225 WeakPolarHBondContact O-CG 3.49Å; A221-K225 PolarHBondContact O-N 2.83Å
222	R	80.9	Confident	82.7	Confident	125 Å²	125	109.1 Å²	109.1	47%	0.472	53%	0.531	S	S	.	.	H	α-helix	trans	-58.8	-45.4	173.6	-76.5	-169	-68.6	-105.9	-0.7	112.2	Q218 S219 K224 K225 I226	Q218-R222 WeakPolarHBondContact O-CG 3.36Å; Q218-R222 PolarHBondContact O-N 3.29Å; S219-R222 PolarHBondContact O-N 3.15Å; R222-K224 PolarHBondContact O-N 3.43Å; R222-K225 PolarHBondContact O-N 3.47Å; R222-I226 WeakPolarHBondContact O-CG1 3.35Å; R222-I226 PolarHBondContact O-N 2.97Å; R222-I226 VanDerWaalsContact O-N 3.08Å
223	R	82.7	Confident	83.8	Confident	191 Å²	191	106.4 Å²	106.4	72%	0.721	53%	0.526	S	S	*	.	H	α-helix	trans	-61.9	-41.7	177	-68.8	179.5	-176	-174.7	1.2	112.2	S219 K220 A221 I226 M227	S219-R223 WeakPolarHBondContact O-CG 3.11Å; S219-R223 PolarHBondContact O-N 2.85Å; K220-R223 PolarHBondContact O-N 2.86Å; A221-R223 PolarHBondContact O-N 3.46Å; R223-I226 PolarHBondContact O-N 3.46Å; R223-M227 PolarHBondContact O-N 3.24Å; R223-M227 VanDerWaalsContact O-N 3.12Å
224	K	85.4	Confident	84.4	Confident	150 Å²	150	106.3 Å²	106.3	65%	0.652	53%	0.529	S	S	*	.	H	α-helix	trans	-64.4	-41	175.5	-70.7	-176.5	178.2	-171.9	0	112.2	K220 A221 R222 I226 M227 I228	K220-K224 WeakPolarHBondContact O-CG 3.35Å; K220-K224 PolarHBondContact O-N 3Å; A221-K224 PolarHBondContact O-N 3.38Å; R222-K224 PolarHBondContact O-N 3.43Å; K224-I226 PolarHBondContact O-N 3.34Å; K224-M227 PolarHBondContact O-N 3.26Å; K224-I228 WeakPolarHBondContact O-CG1 3.4Å; K224-I228 PolarHBondContact O-N 3.44Å
225	K	85.9	Confident	85.1	Confident	147 Å²	147	108.8 Å²	108.8	64%	0.639	53%	0.534	S	S	*	.	H	α-helix	trans	-60.2	-43.5	175.3	-75.7	-173.2	177.9	-171.4	0	112.1	A221 R222 I228 I229	A221-K225 WeakPolarHBondContact O-CG 3.49Å; A221-K225 PolarHBondContact O-N 2.83Å; R222-K225 PolarHBondContact O-N 3.47Å; K225-I228 PolarHBondContact O-N 3.3Å; K225-I229 VanDerWaalsContact O-CG1 3.32Å; K225-I229 WeakPolarHBondContact O-CG1 3.36Å; K225-I229 PolarHBondContact O-N 3.48Å
226	I	87.1	Confident	86	Confident	101 Å²	101	106.4 Å²	106.4	52%	0.518	53%	0.528	S	S	.	.	H	α-helix	trans	-61.6	-45.1	176.8	-67.4	168.3	0	0	0	110.8	R222 R223 K224 I228 I229 I230	R222-I226 WeakPolarHBondContact O-CG1 3.35Å; R222-I226 PolarHBondContact O-N 2.97Å; R222-I226 VanDerWaalsContact O-N 3.08Å; R223-I226 PolarHBondContact O-N 3.46Å; K224-I226 PolarHBondContact O-N 3.34Å; I226-I228 VanDerWaalsContact C-N 3.35Å; I226-I228 PolarHBondContact O-N 2.98Å; I226-I229 PolarHBondContact O-N 3.4Å; I226-I230 HydrophobicContact CG2-CD1 3.86Å; I226-I230 HydrophobicContact CG2-CG1 4.47Å; I226-I230 WeakPolarHBondContact O-CG1 3.32Å; I226-I230 PolarHBondContact O-N 3.34Å
227	M	85.9	Confident	86.4	Confident	127 Å²	127	105.1 Å²	105.1	63%	0.626	53%	0.526	S	S	*	.	H	α-helix	trans	-60.6	-42.3	176.4	-79.5	-67.3	-175.8	0	0	112.6	R223 K224 I230 C231	R223-M227 PolarHBondContact O-N 3.24Å; R223-M227 VanDerWaalsContact O-N 3.12Å; K224-M227 PolarHBondContact O-N 3.26Å; M227-I230 PolarHBondContact O-N 3.12Å; M227-C231 PolarHBondContact O-N 3.47Å; M227-C231 PolarHBondContact O-SG 2.98Å; M227-C231 VanDerWaalsContact O-SG 3.34Å
228	I	89.4	Confident	86.9	Confident	106 Å²	106	101.1 Å²	101.1	54%	0.544	52%	0.519	S	S	.	.	H	α-helix	trans	-61.8	-44.7	176	-68.9	168.1	0	0	0	110.8	K224 K225 I226 I230 C231 C232	K224-I228 WeakPolarHBondContact O-CG1 3.4Å; K224-I228 PolarHBondContact O-N 3.44Å; K225-I228 PolarHBondContact O-N 3.3Å; I226-I228 VanDerWaalsContact C-N 3.35Å; I226-I228 PolarHBondContact O-N 2.98Å; I228-I230 PolarHBondContact O-N 3.06Å; I228-C231 PolarHBondContact O-N 2.94Å; I228-C232 PolarHBondContact O-N 3.32Å; I228-C232 PolarHBondContact O-SG 3.06Å
229	I	91.1	Very high	87.4	Confident	106 Å²	106	101 Å²	101	54%	0.544	52%	0.52	S	S	.	.	H	α-helix	trans	-59.8	-45.7	177.5	-68.6	166	0	0	0	110.8	K225 I226 C231 C232 V233	K225-I229 VanDerWaalsContact O-CG1 3.32Å; K225-I229 WeakPolarHBondContact O-CG1 3.36Å; K225-I229 PolarHBondContact O-N 3.48Å; I226-I229 PolarHBondContact O-N 3.4Å; I229-C231 PolarHBondContact O-N 3.08Å; I229-C232 PolarHBondContact O-N 3.27Å; I229-V233 HydrophobicContact CG2-CG2 4.47Å; I229-V233 WeakPolarHBondContact O-CG2 3.4Å; I229-V233 PolarHBondContact O-N 3.3Å
230	I	91.9	Very high	87.8	Confident	82 Å²	82	102.1 Å²	102.1	42%	0.421	53%	0.532	S	S	.	.	H	α-helix	trans	-59.7	-46.6	177.6	-67.7	167.6	0	0	0	110.8	I226 M227 I228 C232 V233 I234	I226-I230 HydrophobicContact CG2-CD1 3.86Å; I226-I230 HydrophobicContact CG2-CG1 4.47Å; I226-I230 WeakPolarHBondContact O-CG1 3.32Å; I226-I230 PolarHBondContact O-N 3.34Å; M227-I230 PolarHBondContact O-N 3.12Å; I228-I230 PolarHBondContact O-N 3.06Å; I230-C232 VanDerWaalsContact C-N 3.34Å; I230-C232 PolarHBondContact O-N 3.2Å; I230-V233 PolarHBondContact O-N 3.47Å; I230-I234 HydrophobicContact CG2-CD1 3.88Å; I230-I234 WeakPolarHBondContact O-CG1 3.5Å; I230-I234 PolarHBondContact O-N 3.4Å
231	C	90.2	Very high	87.7	Confident	71 Å²	71	99.3 Å²	99.3	48%	0.48	53%	0.529	S	S	.	.	H	α-helix	trans	-59.8	-42.8	177.1	-70	0	0	0	0	112.4	M227 I228 I229 I234 L235	M227-C231 PolarHBondContact O-N 3.47Å; M227-C231 PolarHBondContact O-SG 2.98Å; M227-C231 VanDerWaalsContact O-SG 3.34Å; I228-C231 PolarHBondContact O-N 2.94Å; I229-C231 PolarHBondContact O-N 3.08Å; C231-I234 PolarHBondContact O-N 3.26Å; C231-L235 WeakPolarHBondContact O-CG 3.37Å; C231-L235 PolarHBondContact O-N 3.03Å
232	C	91.2	Very high	87.7	Confident	80 Å²	80	101.2 Å²	101.2	54%	0.541	54%	0.536	S	S	.	.	H	α-helix	trans	-63.7	-40.1	177.3	-69.6	0	0	0	0	112.5	I228 I229 I230 L235 G236	I228-C232 PolarHBondContact O-N 3.32Å; I228-C232 PolarHBondContact O-SG 3.06Å; I229-C232 PolarHBondContact O-N 3.27Å; I230-C232 VanDerWaalsContact C-N 3.34Å; I230-C232 PolarHBondContact O-N 3.2Å; C232-L235 PolarHBondContact O-N 3.49Å; C232-G236 PolarHBondContact O-N 3.03Å
233	V	93.1	Very high	87.4	Confident	85 Å²	85	99.7 Å²	99.7	52%	0.515	54%	0.54	S	S	.	.	H	α-helix	trans	-64	-45.2	177.1	171.2	0	0	0	0	111.1	I229 I230 G236 I237	I229-V233 HydrophobicContact CG2-CG2 4.47Å; I229-V233 WeakPolarHBondContact O-CG2 3.4Å; I229-V233 PolarHBondContact O-N 3.3Å; I230-V233 PolarHBondContact O-N 3.47Å; V233-G236 PolarHBondContact O-N 3.43Å; V233-I237 HydrophobicContact CG1-CD1 4.07Å; V233-I237 WeakPolarHBondContact O-CG1 3.4Å; V233-I237 PolarHBondContact O-N 2.97Å
234	I	92.1	Very high	86.3	Confident	97 Å²	97	93 Å²	93	50%	0.497	53%	0.53	S	S	.	.	H	α-helix	trans	-61.3	-47.1	178	-66.3	167.7	0	0	0	110.7	I230 C231 G236 I237 V238	I230-I234 HydrophobicContact CG2-CD1 3.88Å; I230-I234 WeakPolarHBondContact O-CG1 3.5Å; I230-I234 PolarHBondContact O-N 3.4Å; C231-I234 PolarHBondContact O-N 3.26Å; I234-G236 VanDerWaalsContact C-N 3.31Å; I234-G236 PolarHBondContact O-N 3.06Å; I234-I237 PolarHBondContact O-N 3.28Å; I234-V238 WeakPolarHBondContact O-CG2 3.41Å; I234-V238 PolarHBondContact O-N 2.99Å
235	L	91	Very high	85.1	Confident	108 Å²	108	89.2 Å²	89.2	57%	0.565	53%	0.534	S	S	*	.	H	α-helix	trans	-59.2	-41.9	177	-75.5	170.5	0	0	0	112	C231 C232 I237 V238 I239	C231-L235 WeakPolarHBondContact O-CG 3.37Å; C231-L235 PolarHBondContact O-N 3.03Å; C232-L235 PolarHBondContact O-N 3.49Å; L235-I237 PolarHBondContact O-N 3Å; L235-V238 PolarHBondContact O-N 3.48Å; L235-I239 VanDerWaalsContact O-CG1 3.31Å; L235-I239 WeakPolarHBondContact O-CG1 3.47Å; L235-I239 PolarHBondContact O-N 2.96Å
236	G	90.4	Very high	83.7	Confident	40 Å²	40	86.5 Å²	86.5	41%	0.412	53%	0.534	S	S	.	.	H	α-helix	trans	-59.6	-42.6	175.4	0	0	0	0	0	113.2	C232 V233 I234 I239 A240	C232-G236 PolarHBondContact O-N 3.03Å; V233-G236 PolarHBondContact O-N 3.43Å; I234-G236 VanDerWaalsContact C-N 3.31Å; I234-G236 PolarHBondContact O-N 3.06Å; G236-I239 PolarHBondContact O-N 3.27Å; G236-A240 WeakPolarHBondContact O-CB 3.34Å; G236-A240 PolarHBondContact O-N 3.43Å
237	I	90.1	Very high	82.1	Confident	100 Å²	100	85.5 Å²	85.5	51%	0.513	54%	0.536	S	S	.	.	H	α-helix	trans	-65	-42.7	177.2	-66.2	166.2	0	0	0	111.3	V233 I234 L235 A240 S241	V233-I237 HydrophobicContact CG1-CD1 4.07Å; V233-I237 WeakPolarHBondContact O-CG1 3.4Å; V233-I237 PolarHBondContact O-N 2.97Å; I234-I237 PolarHBondContact O-N 3.28Å; L235-I237 PolarHBondContact O-N 3Å; I237-A240 PolarHBondContact O-N 2.94Å; I237-S241 WeakPolarHBondContact O-CB 3.31Å; I237-S241 PolarHBondContact O-N 3.34Å; I237-S241 PolarHBondContact O-OG 3.39Å
238	V	89.7	Confident	80.7	Confident	81 Å²	81	89.3 Å²	89.3	49%	0.491	57%	0.57	S	S	.	*	H	α-helix	trans	-61	-46.9	178.3	172.4	0	0	0	0	110.6	I234 L235 S241 T242	I234-V238 WeakPolarHBondContact O-CG2 3.41Å; I234-V238 PolarHBondContact O-N 2.99Å; L235-V238 PolarHBondContact O-N 3.48Å; V238-S241 PolarHBondContact O-N 3.08Å; V238-T242 PolarHBondContact O-N 3.08Å; V238-T242 VanDerWaalsContact O-N 3.08Å; V238-T242 PolarHBondContact O-OG1 2.74Å
239	I	87.1	Confident	80.3	Confident	106 Å²	106	88.5 Å²	88.5	54%	0.544	57%	0.572	S	S	.	*	H	α-helix	trans	-64.3	-42.3	178.2	-64.8	166.4	0	0	0	111.1	L235 G236 S241 T242 V243	L235-I239 VanDerWaalsContact O-CG1 3.31Å; L235-I239 WeakPolarHBondContact O-CG1 3.47Å; L235-I239 PolarHBondContact O-N 2.96Å; G236-I239 PolarHBondContact O-N 3.27Å; I239-S241 VanDerWaalsContact C-N 3.27Å; I239-S241 PolarHBondContact O-N 2.99Å; I239-T242 PolarHBondContact O-N 2.82Å; I239-T242 PolarHBondContact O-OG1 3.37Å; I239-V243 HydrophobicContact CG2-CG2 4.44Å; I239-V243 WeakPolarHBondContact O-CG2 3.37Å; I239-V243 PolarHBondContact O-N 3.26Å; I239-V243 VanDerWaalsContact O-N 3.08Å
240	A	84.6	Confident	79.7	Confident	63 Å²	63	87.6 Å²	87.6	52%	0.521	57%	0.573	S	S	.	*	H	α-helix	trans	-63.1	-34.6	177	0	0	0	0	0	112.3	G236 I237 G244	G236-A240 WeakPolarHBondContact O-CB 3.34Å; G236-A240 PolarHBondContact O-N 3.43Å; I237-A240 PolarHBondContact O-N 2.94Å; A240-G244 WeakPolarHBondContact O-CA 3.44Å; A240-G244 PolarHBondContact O-N 3.04Å
241	S	82.1	Confident	79	Confident	74 Å²	74	87.9 Å²	87.9	52%	0.517	58%	0.582	S	S	.	*	H	α-helix	trans	-73.1	-37.3	179.4	-54	0	0	0	0	112.3	I237 V238 I239 G245	I237-S241 WeakPolarHBondContact O-CB 3.31Å; I237-S241 PolarHBondContact O-N 3.34Å; I237-S241 PolarHBondContact O-OG 3.39Å; V238-S241 PolarHBondContact O-N 3.08Å; I239-S241 VanDerWaalsContact C-N 3.27Å; I239-S241 PolarHBondContact O-N 2.99Å; S241-G245 PolarHBondContact O-N 3.33Å
242	T	79.6	Confident	78.3	Confident	86 Å²	86	88.9 Å²	88.9	53%	0.528	59%	0.588	S	S	.	*	H	α-helix	trans	-72.1	-36.3	176.7	55.4	0	0	0	0	112	V238 I239 S246	V238-T242 PolarHBondContact O-N 3.08Å; V238-T242 VanDerWaalsContact O-N 3.08Å; V238-T242 PolarHBondContact O-OG1 2.74Å; I239-T242 PolarHBondContact O-N 2.82Å; I239-T242 PolarHBondContact O-OG1 3.37Å; T242-S246 PolarHBondContact O-N 3.4Å; T242-S246 PolarHBondContact O-OG 3.29Å
243	V	74.2	Confident	77.5	Confident	92 Å²	92	89.4 Å²	89.4	56%	0.558	59%	0.591	S	S	*	*	H	α-helix	trans	-76.8	-38.4	176.2	176.6	0	0	0	0	111.8	I239 S246 S247	I239-V243 HydrophobicContact CG2-CG2 4.44Å; I239-V243 WeakPolarHBondContact O-CG2 3.37Å; I239-V243 PolarHBondContact O-N 3.26Å; I239-V243 VanDerWaalsContact O-N 3.08Å; V243-S246 CarbonylContact O-C 3.5Å; V243-S246 PolarHBondContact O-N 2.61Å; V243-S246 PolarHBondContact O-OG 3.44Å; V243-S247 PolarHBondContact O-OG 3.41Å
244	G	61.1	Low	76.5	Confident	50 Å²	50	89.7 Å²	89.7	52%	0.515	60%	0.596	S	S	.	*	H	α-helix	trans	-72.1	-29.9	176.6	0	0	0	0	0	113.9	A240 S246	A240-G244 WeakPolarHBondContact O-CA 3.44Å; A240-G244 PolarHBondContact O-N 3.04Å; G244-S246 VanDerWaalsContact C-N 3.28Å
245	G	58.4	Low	75.4	Confident	71 Å²	71	89.2 Å²	89.2	73%	0.732	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	-5.8	172.1	0	0	0	0	0	114.4	S241	S241-G245 PolarHBondContact O-N 3.33Å
246	S	56.7	Low	74.2	Confident	91 Å²	91	87.8 Å²	87.8	64%	0.636	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.7	34.3	174.9	51.8	0	0	0	0	111.9	T242 V243 G244	T242-S246 PolarHBondContact O-N 3.4Å; T242-S246 PolarHBondContact O-OG 3.29Å; V243-S246 CarbonylContact O-C 3.5Å; V243-S246 PolarHBondContact O-N 2.61Å; V243-S246 PolarHBondContact O-OG 3.44Å; G244-S246 VanDerWaalsContact C-N 3.28Å
247	S	54	Low	72.8	Confident	80 Å²	80	91.8 Å²	91.8	56%	0.559	62%	0.622	S	S	*	*			trans	-96.4	128.3	154.8	-47.3	0	0	0	0	106.7	V243	V243-S247 PolarHBondContact O-OG 3.41Å
248	P	56.6	Low	71.3	Confident	207 Å²	207	91 Å²	91	100%	1.344	63%	0.631	S	S	*	*			trans	-63.1	0	-165.4	26.9	-35.7	0	0	0	115

Retrieved 248 of 248 residues in 214.2 ms (Link to these results)

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