A0A077ZA84_TRITR Loading...

Programmed cell death protein 10

AlphaFold DB , UniProt , Accession A0A077ZA84, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 223 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	36.7	Very low	37.6	Very low	239 Å²	239	144.8 Å²	144.8	100%	1.177	79%	0.788	S	S	*	*				0	102.7	0	-159	162.9	162.4	0	0	106.2
2	N	39.4	Very low	37.2	Very low	132 Å²	132	144.8 Å²	144.8	71%	0.706	79%	0.787	S	S	*	*			trans	49.4	88.3	171.4	-60.8	16.1	0	0	0	119.9
3	T	37.1	Very low	36.7	Very low	140 Å²	140	148.6 Å²	148.6	86%	0.859	80%	0.796	S	S	*	*			trans	-81.8	103.2	142.4	46.6	0	0	0	0	108.2
4	D	42.7	Very low	36.9	Very low	115 Å²	115	148.8 Å²	148.8	62%	0.615	79%	0.79	S	S	*	*			trans	-123.8	108.7	169.8	-71.7	-31.5	0	0	0	105.7
5	D	41.2	Very low	36.9	Very low	145 Å²	145	146.1 Å²	146.1	78%	0.775	79%	0.788	S	S	*	*				102.7	83.2	94.1	-83.9	-25.7	0	0	0	110.1
6	L	39.3	Very low	36.8	Very low	167 Å²	167	143.9 Å²	143.9	87%	0.874	79%	0.787	S	S	*	*			trans	-100.5	126	152	-80.7	170.8	0	0	0	107.5	N8	L6-N8 PolarHBondContact O-N 3.46Å
7	P	40.6	Very low	37.4	Very low	111 Å²	111	138 Å²	138	72%	0.721	76%	0.757	S	S	*	*			trans	-66.6	125.1	-176	26.4	-31.3	0	0	0	109.9	V9	P7-V9 PolarHBondContact O-N 3.34Å
8	N	34	Very low	38.1	Very low	155 Å²	155	132.7 Å²	132.7	83%	0.829	74%	0.739	S	S	*	*			trans	-64.4	98	168.5	-172.6	20.3	0	0	0	108.3	L6 S10	L6-N8 PolarHBondContact O-N 3.46Å; N8-S10 PolarHBondContact O-N 3.07Å
9	V	38.1	Very low	39.1	Very low	111 Å²	111	130.2 Å²	130.2	67%	0.673	73%	0.732	S	S	*	*			trans	-73.4	96.8	171.3	180	0	0	0	0	107	P7 F11	P7-V9 PolarHBondContact O-N 3.34Å; V9-F11 PolarHBondContact O-N 2.94Å
10	S	29.7	Very low	39.9	Very low	85 Å²	85	127.7 Å²	127.7	59%	0.594	72%	0.72	S	S	*	*			trans	-59.5	113.7	167.5	48.1	0	0	0	0	108.6	N8 D12	N8-S10 PolarHBondContact O-N 3.07Å; S10-D12 PolarHBondContact O-N 3.43Å; S10-D12 VanDerWaalsContact O-N 3.09Å
11	F	34.4	Very low	40.7	Very low	193 Å²	193	123.3 Å²	123.3	85%	0.846	69%	0.694	S	S	*	*			trans	-66.7	104	162.7	-79.8	-93.9	0	0	0	106.7	V9 E13	V9-F11 PolarHBondContact O-N 2.94Å; F11-E13 PolarHBondContact O-N 3.44Å
12	D	33.4	Very low	41.8	Very low	145 Å²	145	113.3 Å²	113.3	78%	0.775	65%	0.645	S	S	*	*			trans	-55.1	116.5	166.7	-73.5	-39	0	0	0	107.6	S10 E14	S10-D12 PolarHBondContact O-N 3.43Å; S10-D12 VanDerWaalsContact O-N 3.09Å; D12-E14 PolarHBondContact O-N 3.3Å
13	E	30.7	Very low	42.9	Very low	194 Å²	194	110.2 Å²	110.2	91%	0.907	63%	0.626	S	S	*	*			trans	-63.4	77.5	171.1	-75.3	-178.1	143.3	0	0	108.7	F11 S15	F11-E13 PolarHBondContact O-N 3.44Å; E13-S15 PolarHBondContact O-N 2.88Å
14	E	39.3	Very low	44.2	Very low	151 Å²	151	105 Å²	105	71%	0.706	59%	0.591	S	S	*	*			trans	-58.3	111.6	156.2	-86.7	-172.7	154.2	0	0	106.8	D12 S16 K72	D12-E14 PolarHBondContact O-N 3.3Å; E14-S16 PolarHBondContact O-N 3.29Å; E14-K72 IonicContact OE2-NZ 3.6Å
15	S	36.4	Very low	45.3	Very low	109 Å²	109	100.1 Å²	100.1	76%	0.762	57%	0.565	S	S	*	*			trans	-23.6	107.6	177.1	53.1	0	0	0	0	112.3	E13	E13-S15 PolarHBondContact O-N 2.88Å
16	S	35.9	Very low	46.9	Very low	111 Å²	111	93.2 Å²	93.2	78%	0.776	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-52.6	124.1	-179.2	-161.8	0	0	0	0	109.2	E14 G18	E14-S16 PolarHBondContact O-N 3.29Å; S16-G18 PolarHBondContact O-N 3.16Å
17	P	47	Very low	48.5	Very low	43 Å²	43	87.2 Å²	87.2	28%	0.279	50%	0.501	S	S	.	.	P	Polyproline II helix	trans	-54.6	134.2	175	-18.7	28.4	0	0	0	108.5	E21 L22	P17-E21 HydrophobicContact CB-CB 3.83Å; P17-L22 HydrophobicContact CB-CD1 4.27Å; P17-L22 HydrophobicContact CG-CD1 4.05Å
18	G	50.7	Low	50.2	Low	42 Å²	42	82.2 Å²	82.2	43%	0.433	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-54.4	147.6	173.5	0	0	0	0	0	109.7	S16 T20 E21 L22	S16-G18 PolarHBondContact O-N 3.16Å; G18-T20 PolarHBondContact O-N 3.07Å; G18-E21 WeakPolarHBondContact O-CA 3.42Å; G18-E21 WeakPolarHBondContact O-CB 3.48Å; G18-E21 PolarHBondContact O-N 3.28Å; G18-L22 PolarHBondContact O-N 3.1Å
19	S	55.5	Low	52.6	Low	86 Å²	86	74.9 Å²	74.9	60%	0.601	43%	0.429	S	S	*	.	H	α-helix	trans	-42.9	-46.9	-174.8	51.4	0	0	0	0	112.9	E21 L22 H23 E64	S19-E21 VanDerWaalsContact C-N 3.33Å; S19-E21 PolarHBondContact O-N 2.93Å; S19-L22 WeakPolarHBondContact O-CA 3.12Å; S19-L22 WeakPolarHBondContact O-CB 3.32Å; S19-L22 PolarHBondContact O-N 3.26Å; S19-H23 PolarHBondContact O-N 3.19Å; S19-E64 VanDerWaalsContact C-OE1 3.27Å
20	T	55.8	Low	54.9	Low	80 Å²	80	71.3 Å²	71.3	49%	0.491	40%	0.403	S	S	.	.	H	α-helix	trans	-56.7	-41.5	177.9	-36.4	0	0	0	0	113.1	G18 L22 F24	G18-T20 PolarHBondContact O-N 3.07Å; T20-L22 VanDerWaalsContact C-N 3.32Å; T20-L22 PolarHBondContact O-N 2.93Å; T20-F24 HydrophobicContact CG2-CD2 4.25Å; T20-F24 HydrophobicContact CG2-CE1 4.33Å; T20-F24 HydrophobicContact CG2-CE2 3.2Å; T20-F24 HydrophobicContact CG2-CZ 3.24Å; T20-F24 WeakPolarHBondContact O-CD2 3.28Å; T20-F24 WeakPolarHBondContact O-CE2 3.33Å; T20-F24 WeakPolarHBondContact O-CG 3.41Å; T20-F24 PolarHBondContact O-N 3.14Å
21	E	56.1	Low	57.5	Low	36 Å²	36	69 Å²	69	17%	0.168	39%	0.385	C	S	.	.	H	α-helix	trans	-64.7	-36.8	176.4	-59.3	-172.1	155.1	0	0	111.9	P17 G18 S19 F24 L25 R182 H205	P17-E21 HydrophobicContact CB-CB 3.83Å; G18-E21 WeakPolarHBondContact O-CA 3.42Å; G18-E21 WeakPolarHBondContact O-CB 3.48Å; G18-E21 PolarHBondContact O-N 3.28Å; S19-E21 VanDerWaalsContact C-N 3.33Å; S19-E21 PolarHBondContact O-N 2.93Å; E21-F24 PolarHBondContact O-N 2.67Å; E21-L25 WeakPolarHBondContact O-CG 3.45Å; E21-L25 PolarHBondContact O-N 3.36Å; E21-R182 IonicContact OE1-NH1 3.44Å; E21-H205 IonicContact OE1-CE1 3.17Å; E21-H205 IonicContact OE1-NE2 2.86Å
22	L	60.5	Low	59.9	Low	28 Å²	28	60.3 Å²	60.3	15%	0.147	35%	0.347	C	S	.	.	H	α-helix	trans	-69.8	-42.9	179.9	-151.3	77	0	0	0	111.9	P17 G18 S19 T20 F24 L25 S26 E64 Y68	P17-L22 HydrophobicContact CB-CD1 4.27Å; P17-L22 HydrophobicContact CG-CD1 4.05Å; G18-L22 PolarHBondContact O-N 3.1Å; S19-L22 WeakPolarHBondContact O-CA 3.12Å; S19-L22 WeakPolarHBondContact O-CB 3.32Å; S19-L22 PolarHBondContact O-N 3.26Å; T20-L22 VanDerWaalsContact C-N 3.32Å; T20-L22 PolarHBondContact O-N 2.93Å; L22-F24 PolarHBondContact O-N 3.48Å; L22-L25 PolarHBondContact O-N 3.33Å; L22-S26 PolarHBondContact O-N 2.88Å; L22-S26 VanDerWaalsContact O-N 3.07Å; L22-E64 WeakPolarHBondContact CD2-O 3.31Å; L22-Y68 HydrophobicContact CD1-CD1 4.2Å
23	H	61.8	Low	62.5	Low	68 Å²	68	55.4 Å²	55.4	32%	0.315	32%	0.321	S	S	.	.	H	α-helix	trans	-52.8	-43.7	171.4	-169	-95.5	0	0	0	112.1	S19 S26 S27 E64	S19-H23 PolarHBondContact O-N 3.19Å; H23-S26 WeakPolarHBondContact O-CB 3.39Å; H23-S26 PolarHBondContact O-N 3.26Å; H23-S27 PolarHBondContact O-N 3.14Å; H23-E64 VanDerWaalsContact CB-CD 3.41Å; H23-E64 HydrophobicContact CB-CG 3.57Å; H23-E64 VanDerWaalsContact CB-OE1 3.3Å; H23-E64 WeakPolarHBondContact CB-OE1 3.49Å; H23-E64 IonicContact CD2-OE2 3.62Å; H23-E64 PolarHBondContact CD2-OE2 3.2Å
24	F	64.1	Low	65.3	Low	29 Å²	29	46.5 Å²	46.5	13%	0.127	28%	0.279	C	S	.	.	H	α-helix	trans	-73.9	-43.7	-173.2	-59.9	-39.2	0	0	0	112.5	T20 E21 L22 S26 S27 S28 C208 I212	T20-F24 HydrophobicContact CG2-CD2 4.25Å; T20-F24 HydrophobicContact CG2-CE1 4.33Å; T20-F24 HydrophobicContact CG2-CE2 3.2Å; T20-F24 HydrophobicContact CG2-CZ 3.24Å; T20-F24 WeakPolarHBondContact O-CD2 3.28Å; T20-F24 WeakPolarHBondContact O-CE2 3.33Å; T20-F24 WeakPolarHBondContact O-CG 3.41Å; T20-F24 PolarHBondContact O-N 3.14Å; E21-F24 PolarHBondContact O-N 2.67Å; L22-F24 PolarHBondContact O-N 3.48Å; F24-S26 PolarHBondContact O-N 2.99Å; F24-S27 PolarHBondContact O-N 2.97Å; F24-S28 PolarHBondContact O-N 3.08Å; F24-S28 PolarHBondContact O-OG 3.16Å; F24-C208 HydrophobicContact CB-CB 4.2Å; F24-I212 HydrophobicContact CD1-CD1 3.65Å; F24-I212 HydrophobicContact CD1-CG1 4.06Å; F24-I212 HydrophobicContact CD2-CD1 4.18Å; F24-I212 HydrophobicContact CE1-CD1 3.19Å; F24-I212 HydrophobicContact CE1-CG1 3.68Å; F24-I212 HydrophobicContact CE2-CD1 3.76Å; F24-I212 HydrophobicContact CG-CD1 4.15Å; F24-I212 HydrophobicContact CZ-CD1 3.25Å; F24-I212 HydrophobicContact CZ-CG1 4.2Å
25	L	67.5	Low	67.6	Low	13 Å²	13	44.5 Å²	44.5	7%	0.068	27%	0.265	C	S	.	.	H	α-helix	trans	-57.7	-36	172.9	-72.7	171.5	0	0	0	110.3	E21 L22 T29 Y68	E21-L25 WeakPolarHBondContact O-CG 3.45Å; E21-L25 PolarHBondContact O-N 3.36Å; L22-L25 PolarHBondContact O-N 3.33Å; L25-T29 VanDerWaalsContact O-CB 3.22Å; L25-T29 WeakPolarHBondContact O-CB 3.34Å; L25-T29 PolarHBondContact O-N 3.06Å; L25-T29 PolarHBondContact O-OG1 2.92Å; L25-Y68 HydrophobicContact CB-CD1 4.25Å; L25-Y68 HydrophobicContact CB-CD2 3.66Å; L25-Y68 HydrophobicContact CB-CE2 4.13Å; L25-Y68 HydrophobicContact CB-CG 3.71Å; L25-Y68 HydrophobicContact CD1-CD1 4.2Å; L25-Y68 HydrophobicContact CD1-CD2 4.29Å; L25-Y68 HydrophobicContact CD1-CE1 3.88Å; L25-Y68 HydrophobicContact CD1-CE2 3.97Å; L25-Y68 HydrophobicContact CD1-CG 4.38Å; L25-Y68 HydrophobicContact CD2-CD2 4.43Å; L25-Y68 HydrophobicContact CD2-CE2 4.15Å; L25-Y68 HydrophobicContact CG-CD2 4.35Å; L25-Y68 HydrophobicContact CG-CE2 4.32Å
26	S	73.5	Confident	70	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-70.8	-43.2	176.8	-131.2	0	0	0	0	114.3	L22 H23 F24 S28 T29 Y30 E60 G65 L67 Y68	L22-S26 PolarHBondContact O-N 2.88Å; L22-S26 VanDerWaalsContact O-N 3.07Å; H23-S26 WeakPolarHBondContact O-CB 3.39Å; H23-S26 PolarHBondContact O-N 3.26Å; F24-S26 PolarHBondContact O-N 2.99Å; S26-S28 VanDerWaalsContact C-N 3.34Å; S26-S28 PolarHBondContact O-N 3.44Å; S26-T29 WeakPolarHBondContact O-CB 3.26Å; S26-T29 PolarHBondContact O-N 3.45Å; S26-T29 VanDerWaalsContact O-N 3.16Å; S26-Y30 PolarHBondContact O-N 3.27Å; S26-E60 WeakPolarHBondContact CB-OE1 2.8Å; S26-E60 PolarHBondContact OG-OE1 3.49Å; S26-E60 PolarHBondContact OG-OE2 3.47Å; S26-G65 WeakPolarHBondContact OG-CA 3.49Å; S26-L67 WeakPolarHBondContact OG-CB 3.36Å; S26-L67 PolarHBondContact OG-N 3.28Å; S26-Y68 PolarHBondContact OG-N 3.28Å
27	S	73.1	Confident	72.5	Confident	42 Å²	42	39 Å²	39	29%	0.294	22%	0.221	S	C	.	.	H	α-helix	trans	-62.4	-42.4	175.2	-171.2	0	0	0	0	111.7	H23 F24 Y30 N31	H23-S27 PolarHBondContact O-N 3.14Å; F24-S27 PolarHBondContact O-N 2.97Å; S27-Y30 PolarHBondContact O-N 3.48Å; S27-N31 WeakPolarHBondContact O-CB 3.26Å; S27-N31 PolarHBondContact O-N 3.27Å; S27-N31 PolarHBondContact O-ND2 3.05Å; S27-N31 PolarHBondContact OG-ND2 3.44Å
28	S	76.6	Confident	74.6	Confident	6 Å²	6	37.2 Å²	37.2	4%	0.042	21%	0.209	C	C	.	.	H	α-helix	trans	-62.5	-44.7	171.9	-68.8	0	0	0	0	111	F24 S26 Y30 N31 V32	F24-S28 PolarHBondContact O-N 3.08Å; F24-S28 PolarHBondContact O-OG 3.16Å; S26-S28 VanDerWaalsContact C-N 3.34Å; S26-S28 PolarHBondContact O-N 3.44Å; S28-Y30 VanDerWaalsContact C-N 3.28Å; S28-Y30 PolarHBondContact O-N 3.47Å; S28-N31 PolarHBondContact O-N 3.38Å; S28-V32 WeakPolarHBondContact O-CG2 3.36Å; S28-V32 PolarHBondContact O-N 2.94Å
29	T	84.4	Confident	76.5	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.208	C	C	.	.	I	π-helix	trans	-55.6	-44.3	176.8	-62	0	0	0	0	111.4	L25 S26 L33 L34 L67 I71 F88	L25-T29 VanDerWaalsContact O-CB 3.22Å; L25-T29 WeakPolarHBondContact O-CB 3.34Å; L25-T29 PolarHBondContact O-N 3.06Å; L25-T29 PolarHBondContact O-OG1 2.92Å; S26-T29 WeakPolarHBondContact O-CB 3.26Å; S26-T29 PolarHBondContact O-N 3.45Å; S26-T29 VanDerWaalsContact O-N 3.16Å; T29-L33 HydrophobicContact CG2-CD2 4.44Å; T29-L33 VanDerWaalsContact O-CB 3.32Å; T29-L33 WeakPolarHBondContact O-CB 3.12Å; T29-L33 PolarHBondContact O-N 3.44Å; T29-L34 HydrophobicContact CG2-CD1 4.19Å; T29-L34 HydrophobicContact CG2-CG 4.39Å; T29-L34 PolarHBondContact O-N 2.85Å; T29-L67 HydrophobicContact CG2-CB 4.1Å; T29-I71 HydrophobicContact CG2-CB 4.3Å; T29-I71 HydrophobicContact CG2-CG1 3.58Å; T29-F88 VanDerWaalsContact OG1-CZ 3.3Å; T29-F88 WeakPolarHBondContact OG1-CZ 3.4Å
30	Y	86.8	Confident	78.1	Confident	36 Å²	36	43.1 Å²	43.1	14%	0.141	21%	0.209	C	C	.	.	I	π-helix	trans	-65.3	-53.7	175	-176.1	-103.3	0	0	0	111.9	S26 S27 S28 L34 R35 M38 R53 L57 L67	S26-Y30 PolarHBondContact O-N 3.27Å; S27-Y30 PolarHBondContact O-N 3.48Å; S28-Y30 VanDerWaalsContact C-N 3.28Å; S28-Y30 PolarHBondContact O-N 3.47Å; Y30-L34 HydrophobicContact CD2-CB 4.16Å; Y30-L34 PolarHBondContact O-N 3.38Å; Y30-R35 HydrophobicContact CD1-CB 4.46Å; Y30-R35 HydrophobicContact CE1-CB 4.15Å; Y30-R35 WeakPolarHBondContact O-CB 3.49Å; Y30-R35 PolarHBondContact O-N 2.75Å; Y30-M38 HydrophobicContact CE2-SD 4.2Å; Y30-R53 HydrophobicContact CE2-CG 4.36Å; Y30-R53 WeakPolarHBondContact OH-CD 3.39Å; Y30-R53 PolarHBondContact OH-NH1 2.94Å; Y30-L57 HydrophobicContact CD1-CD2 4.23Å; Y30-L57 HydrophobicContact CD2-CD2 3.73Å; Y30-L57 HydrophobicContact CE1-CD2 4.11Å; Y30-L57 HydrophobicContact CE2-CD1 4.31Å; Y30-L57 HydrophobicContact CE2-CD2 3.62Å; Y30-L57 HydrophobicContact CE2-CG 4Å; Y30-L57 HydrophobicContact CG-CD2 4.04Å; Y30-L67 HydrophobicContact CD2-CD1 4.19Å; Y30-L67 HydrophobicContact CG-CD1 4.47Å
31	N	83.4	Confident	79.8	Confident	38 Å²	38	42.3 Å²	42.3	20%	0.203	20%	0.201	C	C	.	.	I	π-helix	trans	-71.3	-36.3	-169.3	-73.6	-44.6	0	0	0	114.2	S27 S28 P36	S27-N31 WeakPolarHBondContact O-CB 3.26Å; S27-N31 PolarHBondContact O-N 3.27Å; S27-N31 PolarHBondContact O-ND2 3.05Å; S27-N31 PolarHBondContact OG-ND2 3.44Å; S28-N31 PolarHBondContact O-N 3.38Å; N31-P36 WeakPolarHBondContact O-CD 3.4Å
32	V	84.7	Confident	81.5	Confident	9 Å²	9	43.5 Å²	43.5	6%	0.055	21%	0.206	C	C	.	.	I	π-helix	trans	-100.1	-23.3	-174	-56.1	0	0	0	0	114.3	S28 F88 M91 H92 A95	S28-V32 WeakPolarHBondContact O-CG2 3.36Å; S28-V32 PolarHBondContact O-N 2.94Å; V32-F88 HydrophobicContact CG2-CD1 3.73Å; V32-F88 HydrophobicContact CG2-CE1 4.13Å; V32-M91 HydrophobicContact CB-CB 4.02Å; V32-M91 HydrophobicContact CG2-CB 3.96Å; V32-H92 WeakPolarHBondContact CG1-ND1 3.49Å; V32-A95 HydrophobicContact CG1-CB 4.04Å
33	L	88	Confident	82.9	Confident	43 Å²	43	49.7 Å²	49.7	23%	0.225	24%	0.239	C	C	.	.	I	π-helix	trans	-112.2	-63.8	-177.4	174	57.3	0	0	0	111.4	T29 L37 I71 M91	T29-L33 HydrophobicContact CG2-CD2 4.44Å; T29-L33 VanDerWaalsContact O-CB 3.32Å; T29-L33 WeakPolarHBondContact O-CB 3.12Å; T29-L33 PolarHBondContact O-N 3.44Å; L33-L37 WeakPolarHBondContact O-CB 3.49Å; L33-L37 PolarHBondContact O-N 3.44Å; L33-I71 HydrophobicContact CD2-CB 4.45Å; L33-I71 HydrophobicContact CD2-CD1 3.94Å; L33-I71 HydrophobicContact CD2-CG1 3.9Å; L33-I71 HydrophobicContact CD2-CG2 3.75Å; L33-M91 HydrophobicContact CB-CE 4.15Å; L33-M91 HydrophobicContact CB-SD 3.74Å; L33-M91 HydrophobicContact CD1-CE 4.48Å; L33-M91 HydrophobicContact CD1-SD 3.74Å; L33-M91 HydrophobicContact CD2-CE 4.4Å; L33-M91 HydrophobicContact CG-SD 4.22Å
34	L	90	Very high	84.4	Confident	6 Å²	6	55 Å²	55	3%	0.031	26%	0.261	C	S	.	.	I	π-helix	trans	-72.1	-41.6	-170.5	-68.2	172.6	0	0	0	112.7	T29 Y30 L37 M38 M56 L67 I71	T29-L34 HydrophobicContact CG2-CD1 4.19Å; T29-L34 HydrophobicContact CG2-CG 4.39Å; T29-L34 PolarHBondContact O-N 2.85Å; Y30-L34 HydrophobicContact CD2-CB 4.16Å; Y30-L34 PolarHBondContact O-N 3.38Å; L34-L37 WeakPolarHBondContact O-CB 3.43Å; L34-L37 PolarHBondContact O-N 2.91Å; L34-M38 HydrophobicContact CB-CE 4.32Å; L34-M38 WeakPolarHBondContact O-CB 3.28Å; L34-M38 WeakPolarHBondContact O-CG 3.3Å; L34-M38 PolarHBondContact O-N 3.11Å; L34-M56 HydrophobicContact CD1-SD 4.2Å; L34-M56 HydrophobicContact CD2-SD 4.35Å; L34-L67 HydrophobicContact CD1-CB 4.02Å; L34-L67 HydrophobicContact CD1-CD1 3.97Å; L34-L67 HydrophobicContact CD1-CD2 3.78Å; L34-L67 HydrophobicContact CD1-CG 4.13Å; L34-I71 HydrophobicContact CD2-CD1 4.04Å
35	R	87.8	Confident	85.7	Confident	110 Å²	110	57.3 Å²	57.3	42%	0.415	28%	0.275	S	S	.	.	H	α-helix	trans	-63.2	-52.2	-177.9	170.9	-178.4	179.8	-178.4	2.9	112	Y30 L37 M38 E39	Y30-R35 HydrophobicContact CD1-CB 4.46Å; Y30-R35 HydrophobicContact CE1-CB 4.15Å; Y30-R35 WeakPolarHBondContact O-CB 3.49Å; Y30-R35 PolarHBondContact O-N 2.75Å; R35-L37 VanDerWaalsContact C-N 3.26Å; R35-L37 PolarHBondContact O-N 3.39Å; R35-M38 PolarHBondContact O-N 2.81Å; R35-E39 HydrophobicContact CG-CG 4.47Å; R35-E39 VanDerWaalsContact CG-OE1 3.32Å; R35-E39 WeakPolarHBondContact CG-OE1 3.46Å; R35-E39 IonicContact CZ-OE1 2.73Å; R35-E39 IonicContact NE-OE1 2.68Å; R35-E39 PolarHBondContact NE-OE1 2.99Å; R35-E39 IonicContact NH2-OE1 3.59Å; R35-E39 WeakPolarHBondContact O-CG 3.41Å; R35-E39 PolarHBondContact O-N 2.99Å
36	P	86.3	Confident	87	Confident	44 Å²	44	59.8 Å²	59.8	29%	0.286	29%	0.291	S	S	.	.	H	α-helix	trans	-63.6	-31.7	175.5	-22.4	34.1	0	0	0	112.7	N31 R40	N31-P36 WeakPolarHBondContact O-CD 3.4Å; P36-R40 WeakPolarHBondContact O-CG 3.4Å; P36-R40 PolarHBondContact O-N 3.33Å; P36-R40 PolarHBondContact O-NE 3.44Å
37	L	89.3	Confident	87.9	Confident	61 Å²	61	63.1 Å²	63.1	32%	0.319	32%	0.315	S	S	.	.	H	α-helix	trans	-64.4	-49.4	172.8	177.3	66	0	0	0	111.3	L33 L34 R35 R40 L41	L33-L37 WeakPolarHBondContact O-CB 3.49Å; L33-L37 PolarHBondContact O-N 3.44Å; L34-L37 WeakPolarHBondContact O-CB 3.43Å; L34-L37 PolarHBondContact O-N 2.91Å; R35-L37 VanDerWaalsContact C-N 3.26Å; R35-L37 PolarHBondContact O-N 3.39Å; L37-R40 PolarHBondContact O-N 3.06Å; L37-L41 HydrophobicContact CD1-CD1 4.14Å; L37-L41 HydrophobicContact CD1-CG 4.42Å; L37-L41 HydrophobicContact CG-CD1 4.02Å; L37-L41 WeakPolarHBondContact O-CG 3.45Å; L37-L41 PolarHBondContact O-N 2.97Å
38	M	91.3	Very high	89	Confident	4 Å²	4	63.3 Å²	63.3	2%	0.02	32%	0.319	C	S	.	.	H	α-helix	trans	-62	-45.2	178.6	-73.5	172	178.9	0	0	111.3	Y30 L34 R35 R40 L41 E42 I49 L52 R53 M56	Y30-M38 HydrophobicContact CE2-SD 4.2Å; L34-M38 HydrophobicContact CB-CE 4.32Å; L34-M38 WeakPolarHBondContact O-CB 3.28Å; L34-M38 WeakPolarHBondContact O-CG 3.3Å; L34-M38 PolarHBondContact O-N 3.11Å; R35-M38 PolarHBondContact O-N 2.81Å; M38-R40 VanDerWaalsContact C-N 3.26Å; M38-R40 PolarHBondContact O-N 3.41Å; M38-L41 CarbonylContact O-C 3.53Å; M38-L41 PolarHBondContact O-N 3.1Å; M38-E42 WeakPolarHBondContact O-CB 3.49Å; M38-E42 PolarHBondContact O-N 3Å; M38-I49 HydrophobicContact CB-CG2 3.82Å; M38-I49 HydrophobicContact CG-CG2 4.21Å; M38-L52 HydrophobicContact CE-CG 4.41Å; M38-R53 HydrophobicContact CE-CB 4.34Å; M38-R53 HydrophobicContact SD-CB 3.77Å; M38-R53 HydrophobicContact SD-CG 3.8Å; M38-M56 HydrophobicContact CE-CB 4.37Å; M38-M56 HydrophobicContact CE-CG 4.34Å; M38-M56 HydrophobicContact CE-SD 3.2Å; M38-M56 WeakPolarHBondContact CE-SD 3.39Å
39	E	89.3	Confident	89.9	Confident	88 Å²	88	63.8 Å²	63.8	41%	0.411	32%	0.321	S	S	.	.	H	α-helix	trans	-57.6	-38.6	177.2	-73.3	168.3	-178.4	0	0	112	R35	R35-E39 HydrophobicContact CG-CG 4.47Å; R35-E39 VanDerWaalsContact CG-OE1 3.32Å; R35-E39 WeakPolarHBondContact CG-OE1 3.46Å; R35-E39 IonicContact CZ-OE1 2.73Å; R35-E39 IonicContact NE-OE1 2.68Å; R35-E39 PolarHBondContact NE-OE1 2.99Å; R35-E39 IonicContact NH2-OE1 3.59Å; R35-E39 WeakPolarHBondContact O-CG 3.41Å; R35-E39 PolarHBondContact O-N 2.99Å
40	R	89.6	Confident	90.3	Very high	165 Å²	165	70.9 Å²	70.9	62%	0.623	35%	0.348	S	S	*	.	H	α-helix	trans	-68.8	-37.2	173.8	-70.7	-179.4	-62.1	164.1	1.6	113	P36 L37 M38	P36-R40 WeakPolarHBondContact O-CG 3.4Å; P36-R40 PolarHBondContact O-N 3.33Å; P36-R40 PolarHBondContact O-NE 3.44Å; L37-R40 PolarHBondContact O-N 3.06Å; M38-R40 VanDerWaalsContact C-N 3.26Å; M38-R40 PolarHBondContact O-N 3.41Å
41	L	92.3	Very high	90.7	Very high	63 Å²	63	74 Å²	74	33%	0.33	37%	0.37	S	S	.	.	H	α-helix	trans	-78.6	-25.9	180	-67.1	174.7	0	0	0	112.6	L37 M38 L43 K44 D45 I49	L37-L41 HydrophobicContact CD1-CD1 4.14Å; L37-L41 HydrophobicContact CD1-CG 4.42Å; L37-L41 HydrophobicContact CG-CD1 4.02Å; L37-L41 WeakPolarHBondContact O-CG 3.45Å; L37-L41 PolarHBondContact O-N 2.97Å; M38-L41 CarbonylContact O-C 3.53Å; M38-L41 PolarHBondContact O-N 3.1Å; L41-L43 PolarHBondContact O-N 3.3Å; L41-K44 WeakPolarHBondContact O-CB 3.42Å; L41-K44 PolarHBondContact O-N 2.86Å; L41-D45 PolarHBondContact O-N 3.19Å; L41-I49 HydrophobicContact CB-CD1 3.55Å; L41-I49 HydrophobicContact CB-CG1 3.83Å; L41-I49 HydrophobicContact CD1-CD1 4.06Å; L41-I49 HydrophobicContact CG-CD1 4.46Å
42	E	91.3	Very high	91.3	Very high	60 Å²	60	76 Å²	76	28%	0.28	38%	0.381	S	S	.	.	H	α-helix	trans	-61.1	-27.7	179.8	-161.1	162.6	-179.8	0	0	111.2	M38 K44 P46 I49 R53	M38-E42 WeakPolarHBondContact O-CB 3.49Å; M38-E42 PolarHBondContact O-N 3Å; E42-K44 PolarHBondContact O-N 3.33Å; E42-P46 HydrophobicContact CG-CB 4.3Å; E42-P46 VanDerWaalsContact O-CD 3.28Å; E42-P46 WeakPolarHBondContact O-CD 3.35Å; E42-P46 VanDerWaalsContact O-CG 3.25Å; E42-P46 WeakPolarHBondContact O-CG 3.41Å; E42-I49 HydrophobicContact CB-CB 4.38Å; E42-I49 HydrophobicContact CB-CG2 4.05Å; E42-I49 HydrophobicContact CG-CB 4.47Å; E42-I49 HydrophobicContact CG-CG2 4.3Å; E42-R53 IonicContact OE2-NH2 3.06Å; E42-R53 PolarHBondContact OE2-NH2 2.99Å
43	L	89.7	Confident	91.7	Very high	158 Å²	158	77.5 Å²	77.5	83%	0.827	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-23.1	172.1	-63.1	175.8	0	0	0	113.8	L41	L41-L43 PolarHBondContact O-N 3.3Å
44	K	92.6	Very high	92	Very high	180 Å²	180	78.3 Å²	78.3	78%	0.783	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-44.3	-178.9	-63.9	-175.5	176.9	-176.7	0	112.1	L41 E42	L41-K44 WeakPolarHBondContact O-CB 3.42Å; L41-K44 PolarHBondContact O-N 2.86Å; E42-K44 PolarHBondContact O-N 3.33Å
45	D	93.2	Very high	92.2	Very high	77 Å²	77	80 Å²	80	41%	0.412	42%	0.417	S	S	.	.			trans	-146.1	91.4	178.1	-171.2	-20.8	0	0	0	110.6	L41 S47 A48 I49	L41-D45 PolarHBondContact O-N 3.19Å; D45-S47 PolarHBondContact O-N 3.34Å; D45-S47 PolarHBondContact OD1-N 3.33Å; D45-A48 HydrophobicContact CB-CB 4.09Å; D45-A48 VanDerWaalsContact CG-CB 3.41Å; D45-A48 PolarHBondContact OD1-N 3.31Å; D45-A48 VanDerWaalsContact OD2-CB 3.27Å; D45-A48 WeakPolarHBondContact OD2-CB 3.33Å; D45-I49 WeakPolarHBondContact O-CB 3.43Å; D45-I49 VanDerWaalsContact O-CG1 3.3Å; D45-I49 WeakPolarHBondContact O-CG1 3.36Å; D45-I49 PolarHBondContact O-N 3.35Å
46	P	93.1	Very high	92.5	Very high	65 Å²	65	75.9 Å²	75.9	42%	0.422	40%	0.403	S	S	.	.	H	α-helix	trans	-62.4	-27.7	179.8	-20.4	28.6	0	0	0	113.5	E42 R50	E42-P46 HydrophobicContact CG-CB 4.3Å; E42-P46 VanDerWaalsContact O-CD 3.28Å; E42-P46 WeakPolarHBondContact O-CD 3.35Å; E42-P46 VanDerWaalsContact O-CG 3.25Å; E42-P46 WeakPolarHBondContact O-CG 3.41Å; P46-R50 WeakPolarHBondContact O-CB 3.26Å; P46-R50 WeakPolarHBondContact O-CG 3.38Å; P46-R50 PolarHBondContact O-N 3.33Å; P46-R50 PolarHBondContact O-NE 2.83Å
47	S	94.3	Very high	92.7	Very high	70 Å²	70	77.1 Å²	77.1	49%	0.49	41%	0.407	S	S	.	.	H	α-helix	trans	-77.2	-51.5	-176.6	-167	0	0	0	0	110.7	D45 I49 R50 T51	D45-S47 PolarHBondContact O-N 3.34Å; D45-S47 PolarHBondContact OD1-N 3.33Å; S47-I49 VanDerWaalsContact C-N 3.31Å; S47-I49 PolarHBondContact O-N 2.94Å; S47-R50 PolarHBondContact O-N 2.96Å; S47-T51 PolarHBondContact O-N 3.08Å; S47-T51 VanDerWaalsContact O-N 3.1Å; S47-T51 PolarHBondContact O-OG1 3.05Å
48	A	95	Very high	92.9	Very high	47 Å²	47	78.8 Å²	78.8	39%	0.388	41%	0.413	S	S	.	.	H	α-helix	trans	-60.8	-41.5	179.3	0	0	0	0	0	111.7	D45 T51 L52	D45-A48 HydrophobicContact CB-CB 4.09Å; D45-A48 VanDerWaalsContact CG-CB 3.41Å; D45-A48 PolarHBondContact OD1-N 3.31Å; D45-A48 VanDerWaalsContact OD2-CB 3.27Å; D45-A48 WeakPolarHBondContact OD2-CB 3.33Å; A48-T51 PolarHBondContact O-N 3.02Å; A48-L52 WeakPolarHBondContact O-CB 3.45Å; A48-L52 PolarHBondContact O-N 2.98Å
49	I	95.6	Very high	93	Very high	15 Å²	15	79.7 Å²	79.7	8%	0.077	42%	0.421	C	S	.	.	H	α-helix	trans	-69.5	-35.6	-179.6	-63.9	-58	0	0	0	112.4	M38 L41 E42 D45 S47 L52 R53	M38-I49 HydrophobicContact CB-CG2 3.82Å; M38-I49 HydrophobicContact CG-CG2 4.21Å; L41-I49 HydrophobicContact CB-CD1 3.55Å; L41-I49 HydrophobicContact CB-CG1 3.83Å; L41-I49 HydrophobicContact CD1-CD1 4.06Å; L41-I49 HydrophobicContact CG-CD1 4.46Å; E42-I49 HydrophobicContact CB-CB 4.38Å; E42-I49 HydrophobicContact CB-CG2 4.05Å; E42-I49 HydrophobicContact CG-CB 4.47Å; E42-I49 HydrophobicContact CG-CG2 4.3Å; D45-I49 WeakPolarHBondContact O-CB 3.43Å; D45-I49 VanDerWaalsContact O-CG1 3.3Å; D45-I49 WeakPolarHBondContact O-CG1 3.36Å; D45-I49 PolarHBondContact O-N 3.35Å; S47-I49 VanDerWaalsContact C-N 3.31Å; S47-I49 PolarHBondContact O-N 2.94Å; I49-L52 HydrophobicContact CD1-CD2 4.34Å; I49-L52 PolarHBondContact O-N 2.92Å; I49-R53 WeakPolarHBondContact O-CB 3.23Å; I49-R53 PolarHBondContact O-N 2.93Å
50	R	93.1	Very high	93	Very high	149 Å²	149	76.8 Å²	76.8	56%	0.562	41%	0.408	S	S	*	.	H	α-helix	trans	-63.5	-44.7	172.8	-79.2	-178.9	-67.7	166.8	-1.2	111.8	P46 S47 R53 A54	P46-R50 WeakPolarHBondContact O-CB 3.26Å; P46-R50 WeakPolarHBondContact O-CG 3.38Å; P46-R50 PolarHBondContact O-N 3.33Å; P46-R50 PolarHBondContact O-NE 2.83Å; S47-R50 PolarHBondContact O-N 2.96Å; R50-R53 PolarHBondContact O-N 3.11Å; R50-A54 WeakPolarHBondContact O-CB 3.44Å; R50-A54 PolarHBondContact O-N 3.05Å
51	T	95.6	Very high	92.8	Very high	101 Å²	101	76.4 Å²	76.4	62%	0.62	41%	0.413	S	S	*	.	H	α-helix	trans	-63	-45.4	176.3	-58.1	0	0	0	0	111.6	S47 A48 A54 G55	S47-T51 PolarHBondContact O-N 3.08Å; S47-T51 VanDerWaalsContact O-N 3.1Å; S47-T51 PolarHBondContact O-OG1 3.05Å; A48-T51 PolarHBondContact O-N 3.02Å; T51-A54 PolarHBondContact O-N 3.33Å; T51-G55 PolarHBondContact O-N 2.98Å
52	L	94.8	Very high	92.8	Very high	80 Å²	80	80 Å²	80	42%	0.419	43%	0.428	S	S	.	.	H	α-helix	trans	-61.5	-46	177.4	-177.5	63.9	0	0	0	111.6	M38 A48 I49 A54 G55 M56	M38-L52 HydrophobicContact CE-CG 4.41Å; A48-L52 WeakPolarHBondContact O-CB 3.45Å; A48-L52 PolarHBondContact O-N 2.98Å; I49-L52 HydrophobicContact CD1-CD2 4.34Å; I49-L52 PolarHBondContact O-N 2.92Å; L52-A54 PolarHBondContact O-N 2.96Å; L52-G55 PolarHBondContact O-N 3.27Å; L52-M56 HydrophobicContact CD1-CE 3.92Å; L52-M56 HydrophobicContact CD1-CG 4.35Å; L52-M56 HydrophobicContact CD1-SD 4.31Å; L52-M56 HydrophobicContact CG-CE 4.25Å; L52-M56 HydrophobicContact CG-SD 4.17Å; L52-M56 WeakPolarHBondContact O-CB 3.49Å; L52-M56 WeakPolarHBondContact O-CG 3.42Å; L52-M56 PolarHBondContact O-N 3.49Å
53	R	94.1	Very high	92.5	Very high	41 Å²	41	82.8 Å²	82.8	16%	0.155	44%	0.441	C	S	.	.	H	α-helix	trans	-58.7	-47.9	177	-174.3	-169.8	-60.4	-86.7	9.6	110.9	Y30 M38 E42 I49 R50 M56 L57	Y30-R53 HydrophobicContact CE2-CG 4.36Å; Y30-R53 WeakPolarHBondContact OH-CD 3.39Å; Y30-R53 PolarHBondContact OH-NH1 2.94Å; M38-R53 HydrophobicContact CE-CB 4.34Å; M38-R53 HydrophobicContact SD-CB 3.77Å; M38-R53 HydrophobicContact SD-CG 3.8Å; E42-R53 IonicContact OE2-NH2 3.06Å; E42-R53 PolarHBondContact OE2-NH2 2.99Å; I49-R53 WeakPolarHBondContact O-CB 3.23Å; I49-R53 PolarHBondContact O-N 2.93Å; R50-R53 PolarHBondContact O-N 3.11Å; R53-M56 PolarHBondContact O-N 3.07Å; R53-L57 HydrophobicContact CG-CD1 4.07Å; R53-L57 WeakPolarHBondContact O-CB 3.33Å; R53-L57 WeakPolarHBondContact O-CG 3.42Å; R53-L57 PolarHBondContact O-N 3.35Å
54	A	93.4	Very high	92.2	Very high	60 Å²	60	78.8 Å²	78.8	50%	0.496	42%	0.418	S	S	.	.	H	α-helix	trans	-61.2	-46.8	178.5	0	0	0	0	0	111.7	R50 T51 L52 L57 Q58	R50-A54 WeakPolarHBondContact O-CB 3.44Å; R50-A54 PolarHBondContact O-N 3.05Å; T51-A54 PolarHBondContact O-N 3.33Å; L52-A54 PolarHBondContact O-N 2.96Å; A54-L57 PolarHBondContact O-N 3.26Å; A54-Q58 VanDerWaalsContact O-CB 3.31Å; A54-Q58 WeakPolarHBondContact O-CB 3.39Å; A54-Q58 PolarHBondContact O-N 2.76Å
55	G	95.2	Very high	91.9	Very high	42 Å²	42	70.2 Å²	70.2	43%	0.433	38%	0.381	S	S	.	.	H	α-helix	trans	-63.1	-42.5	178.2	0	0	0	0	0	113.2	T51 L52 Q58 A59	T51-G55 PolarHBondContact O-N 2.98Å; L52-G55 PolarHBondContact O-N 3.27Å; G55-Q58 PolarHBondContact O-N 3.06Å; G55-A59 WeakPolarHBondContact O-CB 3.5Å; G55-A59 PolarHBondContact O-N 3.48Å
56	M	93.1	Very high	91.8	Very high	23 Å²	23	70.1 Å²	70.1	11%	0.113	38%	0.377	C	S	.	.	H	α-helix	trans	-64.5	-44.4	176.7	-81.3	-175.2	168.8	0	0	112.5	L34 M38 L52 R53 Q58 A59 E60 L67 F70	L34-M56 HydrophobicContact CD1-SD 4.2Å; L34-M56 HydrophobicContact CD2-SD 4.35Å; M38-M56 HydrophobicContact CE-CB 4.37Å; M38-M56 HydrophobicContact CE-CG 4.34Å; M38-M56 HydrophobicContact CE-SD 3.2Å; M38-M56 WeakPolarHBondContact CE-SD 3.39Å; L52-M56 HydrophobicContact CD1-CE 3.92Å; L52-M56 HydrophobicContact CD1-CG 4.35Å; L52-M56 HydrophobicContact CD1-SD 4.31Å; L52-M56 HydrophobicContact CG-CE 4.25Å; L52-M56 HydrophobicContact CG-SD 4.17Å; L52-M56 WeakPolarHBondContact O-CB 3.49Å; L52-M56 WeakPolarHBondContact O-CG 3.42Å; L52-M56 PolarHBondContact O-N 3.49Å; R53-M56 PolarHBondContact O-N 3.07Å; M56-Q58 VanDerWaalsContact C-N 3.34Å; M56-A59 PolarHBondContact O-N 3.31Å; M56-E60 WeakPolarHBondContact O-CB 3.11Å; M56-E60 PolarHBondContact O-N 3.29Å; M56-L67 HydrophobicContact CB-CD2 3.73Å; M56-L67 HydrophobicContact CG-CD2 4Å; M56-L67 HydrophobicContact SD-CD2 4.37Å; M56-F70 HydrophobicContact CE-CD1 4.27Å; M56-F70 HydrophobicContact CE-CE1 3.62Å; M56-F70 HydrophobicContact CE-CZ 4.27Å
57	L	90.9	Very high	91.7	Very high	71 Å²	71	67 Å²	67	37%	0.372	36%	0.357	S	S	.	.	H	α-helix	trans	-68.1	-35	177.4	-71.1	177	0	0	0	112.2	Y30 R53 A54 E60 H61	Y30-L57 HydrophobicContact CD1-CD2 4.23Å; Y30-L57 HydrophobicContact CD2-CD2 3.73Å; Y30-L57 HydrophobicContact CE1-CD2 4.11Å; Y30-L57 HydrophobicContact CE2-CD1 4.31Å; Y30-L57 HydrophobicContact CE2-CD2 3.62Å; Y30-L57 HydrophobicContact CE2-CG 4Å; Y30-L57 HydrophobicContact CG-CD2 4.04Å; R53-L57 HydrophobicContact CG-CD1 4.07Å; R53-L57 WeakPolarHBondContact O-CB 3.33Å; R53-L57 WeakPolarHBondContact O-CG 3.42Å; R53-L57 PolarHBondContact O-N 3.35Å; A54-L57 PolarHBondContact O-N 3.26Å; L57-E60 PolarHBondContact O-N 2.92Å; L57-H61 WeakPolarHBondContact O-CB 3.35Å; L57-H61 PolarHBondContact O-N 2.99Å
58	Q	93.1	Very high	91.4	Very high	95 Å²	95	64.7 Å²	64.7	44%	0.444	34%	0.337	S	S	.	.	H	α-helix	trans	-66	-46.5	174.1	-176.7	61.6	27	0	0	111.3	A54 G55 M56 E60 H61 E62	A54-Q58 VanDerWaalsContact O-CB 3.31Å; A54-Q58 WeakPolarHBondContact O-CB 3.39Å; A54-Q58 PolarHBondContact O-N 2.76Å; G55-Q58 PolarHBondContact O-N 3.06Å; M56-Q58 VanDerWaalsContact C-N 3.34Å; Q58-E60 VanDerWaalsContact C-N 3.28Å; Q58-E60 PolarHBondContact O-N 3.35Å; Q58-H61 WeakPolarHBondContact O-CB 3.22Å; Q58-H61 PolarHBondContact O-N 2.99Å; Q58-H61 VanDerWaalsContact O-N 3.11Å; Q58-E62 PolarHBondContact NE2-OE1 3.48Å; Q58-E62 WeakPolarHBondContact O-CG 3.37Å; Q58-E62 PolarHBondContact O-N 3.5Å
59	A	92.9	Very high	91.1	Very high	23 Å²	23	65.8 Å²	65.8	19%	0.19	34%	0.337	C	S	.	.	H	α-helix	trans	-61.1	-38.9	176.5	0	0	0	0	0	111.9	G55 M56 H61 E62 Q63 F66	G55-A59 WeakPolarHBondContact O-CB 3.5Å; G55-A59 PolarHBondContact O-N 3.48Å; M56-A59 PolarHBondContact O-N 3.31Å; A59-H61 VanDerWaalsContact C-N 3.34Å; A59-E62 PolarHBondContact O-N 3.29Å; A59-Q63 PolarHBondContact O-N 2.92Å; A59-F66 HydrophobicContact CB-CD1 3.61Å; A59-F66 HydrophobicContact CB-CD2 4.41Å; A59-F66 HydrophobicContact CB-CE1 3.68Å; A59-F66 HydrophobicContact CB-CE2 4.45Å; A59-F66 HydrophobicContact CB-CG 4.01Å; A59-F66 HydrophobicContact CB-CZ 4.11Å
60	E	89.6	Confident	91	Very high	27 Å²	27	68.5 Å²	68.5	13%	0.126	35%	0.348	C	S	.	.	H	α-helix	trans	-63.9	-38.6	173.7	-175.3	54	-150.4	0	0	113	S26 M56 L57 Q58 Q63 E64 G65 F66 L67	S26-E60 WeakPolarHBondContact CB-OE1 2.8Å; S26-E60 PolarHBondContact OG-OE1 3.49Å; S26-E60 PolarHBondContact OG-OE2 3.47Å; M56-E60 WeakPolarHBondContact O-CB 3.11Å; M56-E60 PolarHBondContact O-N 3.29Å; L57-E60 PolarHBondContact O-N 2.92Å; Q58-E60 VanDerWaalsContact C-N 3.28Å; Q58-E60 PolarHBondContact O-N 3.35Å; E60-Q63 CarbonylContact O-C 3.25Å; E60-Q63 VanDerWaalsContact O-C 3.25Å; E60-E64 PolarHBondContact O-N 2.94Å; E60-G65 PolarHBondContact OE1-N 2.86Å; E60-F66 PolarHBondContact OE2-N 3.07Å; E60-F66 VanDerWaalsContact OE2-N 3.08Å; E60-L67 HydrophobicContact CB-CD1 3.93Å; E60-L67 HydrophobicContact CB-CG 4Å; E60-L67 HydrophobicContact CG-CD1 4.01Å; E60-L67 HydrophobicContact CG-CG 4.26Å; E60-L67 WeakPolarHBondContact OE2-CG 3.16Å; E60-L67 PolarHBondContact OE2-N 3.42Å
61	H	87	Confident	90.9	Very high	158 Å²	158	62.2 Å²	62.2	73%	0.731	33%	0.326	S	S	*	.	H	α-helix	trans	-69.1	-37.4	176.7	177.4	-82.7	0	0	0	112.1	L57 Q58 A59	L57-H61 WeakPolarHBondContact O-CB 3.35Å; L57-H61 PolarHBondContact O-N 2.99Å; Q58-H61 WeakPolarHBondContact O-CB 3.22Å; Q58-H61 PolarHBondContact O-N 2.99Å; Q58-H61 VanDerWaalsContact O-N 3.11Å; A59-H61 VanDerWaalsContact C-N 3.34Å
62	E	90.4	Very high	90.5	Very high	139 Å²	139	61.4 Å²	61.4	65%	0.65	31%	0.313	S	S	*	.	H	α-helix	trans	-74.8	-36	177.5	-72.8	176.5	-167.8	0	0	112.7	Q58 A59	Q58-E62 PolarHBondContact NE2-OE1 3.48Å; Q58-E62 WeakPolarHBondContact O-CG 3.37Å; Q58-E62 PolarHBondContact O-N 3.5Å; A59-E62 PolarHBondContact O-N 3.29Å
63	Q	86.9	Confident	90.3	Very high	117 Å²	117	62.8 Å²	62.8	55%	0.547	32%	0.317	S	S	.	.	S	Bend	trans	-134.3	100.4	178.9	-178.4	63.4	31.2	0	0	109.9	A59 E60 G65 F66	A59-Q63 PolarHBondContact O-N 2.92Å; E60-Q63 CarbonylContact O-C 3.25Å; E60-Q63 VanDerWaalsContact O-C 3.25Å; Q63-G65 PolarHBondContact O-N 2.98Å; Q63-F66 HydrophobicContact CB-CB 4.29Å; Q63-F66 HydrophobicContact CG-CB 4.47Å; Q63-F66 WeakPolarHBondContact O-CB 3.44Å; Q63-F66 PolarHBondContact O-N 3.46Å
64	E	83	Confident	90.2	Very high	75 Å²	75	64.7 Å²	64.7	35%	0.35	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	129.3	173.9	-178.2	173.2	128.2	0	0	111	S19 L22 H23 E60 F66	S19-E64 VanDerWaalsContact C-OE1 3.27Å; L22-E64 WeakPolarHBondContact CD2-O 3.31Å; H23-E64 VanDerWaalsContact CB-CD 3.41Å; H23-E64 HydrophobicContact CB-CG 3.57Å; H23-E64 VanDerWaalsContact CB-OE1 3.3Å; H23-E64 WeakPolarHBondContact CB-OE1 3.49Å; H23-E64 IonicContact CD2-OE2 3.62Å; H23-E64 PolarHBondContact CD2-OE2 3.2Å; E60-E64 PolarHBondContact O-N 2.94Å; E64-F66 VanDerWaalsContact C-N 3.34Å
65	G	85.6	Confident	90.1	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.9	-0.3	-178.2	0	0	0	0	0	115.5	S26 E60 Q63 L67 Y68 N69	S26-G65 WeakPolarHBondContact OG-CA 3.49Å; E60-G65 PolarHBondContact OE1-N 2.86Å; Q63-G65 PolarHBondContact O-N 2.98Å; G65-L67 VanDerWaalsContact C-N 3.34Å; G65-L67 PolarHBondContact O-N 2.96Å; G65-Y68 PolarHBondContact O-N 3.01Å; G65-N69 WeakPolarHBondContact O-CB 3.39Å; G65-N69 PolarHBondContact O-N 3.31Å; G65-N69 PolarHBondContact O-ND2 2.86Å
66	F	90.8	Very high	89.9	Confident	75 Å²	75	65.4 Å²	65.4	33%	0.329	32%	0.32	S	S	.	.	H	α-helix	trans	-53.9	-48.9	-179.2	175.3	-93.1	0	0	0	111.8	A59 E60 Q63 E64 Y68 N69 F70	A59-F66 HydrophobicContact CB-CD1 3.61Å; A59-F66 HydrophobicContact CB-CD2 4.41Å; A59-F66 HydrophobicContact CB-CE1 3.68Å; A59-F66 HydrophobicContact CB-CE2 4.45Å; A59-F66 HydrophobicContact CB-CG 4.01Å; A59-F66 HydrophobicContact CB-CZ 4.11Å; E60-F66 PolarHBondContact OE2-N 3.07Å; E60-F66 VanDerWaalsContact OE2-N 3.08Å; Q63-F66 HydrophobicContact CB-CB 4.29Å; Q63-F66 HydrophobicContact CG-CB 4.47Å; Q63-F66 WeakPolarHBondContact O-CB 3.44Å; Q63-F66 PolarHBondContact O-N 3.46Å; E64-F66 VanDerWaalsContact C-N 3.34Å; F66-Y68 PolarHBondContact O-N 3.08Å; F66-N69 PolarHBondContact O-N 2.87Å; F66-F70 HydrophobicContact CE1-CB 4.32Å; F66-F70 WeakPolarHBondContact O-CB 3.14Å; F66-F70 PolarHBondContact O-N 2.56Å
67	L	92	Very high	89.8	Confident	0 Å²	0	71.6 Å²	71.6	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-65	-41.7	-176.3	-59.9	173.2	0	0	0	112.1	S26 T29 Y30 L34 M56 E60 G65 F70 I71	S26-L67 WeakPolarHBondContact OG-CB 3.36Å; S26-L67 PolarHBondContact OG-N 3.28Å; T29-L67 HydrophobicContact CG2-CB 4.1Å; Y30-L67 HydrophobicContact CD2-CD1 4.19Å; Y30-L67 HydrophobicContact CG-CD1 4.47Å; L34-L67 HydrophobicContact CD1-CB 4.02Å; L34-L67 HydrophobicContact CD1-CD1 3.97Å; L34-L67 HydrophobicContact CD1-CD2 3.78Å; L34-L67 HydrophobicContact CD1-CG 4.13Å; M56-L67 HydrophobicContact CB-CD2 3.73Å; M56-L67 HydrophobicContact CG-CD2 4Å; M56-L67 HydrophobicContact SD-CD2 4.37Å; E60-L67 HydrophobicContact CB-CD1 3.93Å; E60-L67 HydrophobicContact CB-CG 4Å; E60-L67 HydrophobicContact CG-CD1 4.01Å; E60-L67 HydrophobicContact CG-CG 4.26Å; E60-L67 WeakPolarHBondContact OE2-CG 3.16Å; E60-L67 PolarHBondContact OE2-N 3.42Å; G65-L67 VanDerWaalsContact C-N 3.34Å; G65-L67 PolarHBondContact O-N 2.96Å; L67-F70 PolarHBondContact O-N 2.85Å; L67-I71 WeakPolarHBondContact O-CG1 2.86Å; L67-I71 PolarHBondContact O-N 3.33Å
68	Y	87.9	Confident	90	Very high	20 Å²	20	70.9 Å²	70.9	8%	0.078	35%	0.351	C	S	.	.	H	α-helix	trans	-61.1	-48.3	175.1	174.5	-102.5	0	0	0	111.6	L22 L25 S26 G65 F66 F70 I71 K72 L84 F88	L22-Y68 HydrophobicContact CD1-CD1 4.2Å; L25-Y68 HydrophobicContact CB-CD1 4.25Å; L25-Y68 HydrophobicContact CB-CD2 3.66Å; L25-Y68 HydrophobicContact CB-CE2 4.13Å; L25-Y68 HydrophobicContact CB-CG 3.71Å; L25-Y68 HydrophobicContact CD1-CD1 4.2Å; L25-Y68 HydrophobicContact CD1-CD2 4.29Å; L25-Y68 HydrophobicContact CD1-CE1 3.88Å; L25-Y68 HydrophobicContact CD1-CE2 3.97Å; L25-Y68 HydrophobicContact CD1-CG 4.38Å; L25-Y68 HydrophobicContact CD2-CD2 4.43Å; L25-Y68 HydrophobicContact CD2-CE2 4.15Å; L25-Y68 HydrophobicContact CG-CD2 4.35Å; L25-Y68 HydrophobicContact CG-CE2 4.32Å; S26-Y68 PolarHBondContact OG-N 3.28Å; G65-Y68 PolarHBondContact O-N 3.01Å; F66-Y68 PolarHBondContact O-N 3.08Å; Y68-F70 VanDerWaalsContact C-N 3.32Å; Y68-F70 PolarHBondContact O-N 3.49Å; Y68-I71 PolarHBondContact O-N 2.97Å; Y68-K72 HydrophobicContact CE1-CD 4.46Å; Y68-K72 WeakPolarHBondContact O-CB 3.31Å; Y68-K72 PolarHBondContact O-N 3.45Å; Y68-L84 HydrophobicContact CE2-CD1 4.33Å; Y68-F88 HydrophobicContact CD2-CE2 4.01Å; Y68-F88 HydrophobicContact CD2-CZ 4.24Å; Y68-F88 AromaticContact CE2-CE2 3.84Å; Y68-F88 HydrophobicContact CE2-CE2 3.84Å
69	N	88.8	Confident	89.8	Confident	71 Å²	71	74 Å²	74	38%	0.38	37%	0.365	S	S	.	.	H	α-helix	trans	-64.3	-37.8	178.8	-73.3	-32.6	0	0	0	112.1	G65 F66 K72 H73	G65-N69 WeakPolarHBondContact O-CB 3.39Å; G65-N69 PolarHBondContact O-N 3.31Å; G65-N69 PolarHBondContact O-ND2 2.86Å; F66-N69 PolarHBondContact O-N 2.87Å; N69-K72 PolarHBondContact O-N 2.92Å; N69-H73 VanDerWaalsContact O-CB 3.3Å; N69-H73 WeakPolarHBondContact O-CB 3.43Å; N69-H73 PolarHBondContact O-N 2.91Å
70	F	91.8	Very high	89.7	Confident	72 Å²	72	77.4 Å²	77.4	32%	0.316	38%	0.38	S	S	.	.	H	α-helix	trans	-61.2	-48	174.6	177.3	-108.4	0	0	0	111.2	M56 F66 L67 Y68 H73 L74	M56-F70 HydrophobicContact CE-CD1 4.27Å; M56-F70 HydrophobicContact CE-CE1 3.62Å; M56-F70 HydrophobicContact CE-CZ 4.27Å; F66-F70 HydrophobicContact CE1-CB 4.32Å; F66-F70 WeakPolarHBondContact O-CB 3.14Å; F66-F70 PolarHBondContact O-N 2.56Å; L67-F70 PolarHBondContact O-N 2.85Å; Y68-F70 VanDerWaalsContact C-N 3.32Å; Y68-F70 PolarHBondContact O-N 3.49Å; F70-H73 PolarHBondContact O-N 3.43Å; F70-L74 HydrophobicContact CD1-CD1 3.9Å; F70-L74 HydrophobicContact CE1-CD1 3.34Å; F70-L74 HydrophobicContact CE1-CG 4.19Å; F70-L74 HydrophobicContact CE2-CD1 4.22Å; F70-L74 HydrophobicContact CE2-CD2 4.47Å; F70-L74 HydrophobicContact CE2-CG 4.24Å; F70-L74 HydrophobicContact CZ-CD1 3.53Å; F70-L74 HydrophobicContact CZ-CD2 4.32Å; F70-L74 HydrophobicContact CZ-CG 4.04Å; F70-L74 WeakPolarHBondContact O-CG 3.42Å; F70-L74 PolarHBondContact O-N 3.38Å
71	I	91.3	Very high	89.4	Confident	17 Å²	17	85.2 Å²	85.2	9%	0.087	42%	0.416	C	S	.	.	H	α-helix	trans	-63.6	-45.4	175.8	-67.8	-58	0	0	0	111.4	T29 L33 L34 L67 Y68 H73 L74 V75 L84	T29-I71 HydrophobicContact CG2-CB 4.3Å; T29-I71 HydrophobicContact CG2-CG1 3.58Å; L33-I71 HydrophobicContact CD2-CB 4.45Å; L33-I71 HydrophobicContact CD2-CD1 3.94Å; L33-I71 HydrophobicContact CD2-CG1 3.9Å; L33-I71 HydrophobicContact CD2-CG2 3.75Å; L34-I71 HydrophobicContact CD2-CD1 4.04Å; L67-I71 WeakPolarHBondContact O-CG1 2.86Å; L67-I71 PolarHBondContact O-N 3.33Å; Y68-I71 PolarHBondContact O-N 2.97Å; I71-H73 VanDerWaalsContact C-N 3.28Å; I71-H73 PolarHBondContact O-N 3.46Å; I71-L74 HydrophobicContact CD1-CD1 4.27Å; I71-L74 PolarHBondContact O-N 3.14Å; I71-V75 HydrophobicContact CG2-CG2 4.24Å; I71-V75 WeakPolarHBondContact O-CG2 3.43Å; I71-V75 PolarHBondContact O-N 2.99Å; I71-L84 HydrophobicContact CG2-CD2 4.3Å
72	K	87.8	Confident	89.5	Confident	84 Å²	84	81.8 Å²	81.8	37%	0.365	40%	0.402	S	S	.	.	H	α-helix	trans	-55.6	-46.7	175.6	-174.4	177.2	-179.3	178.5	0	110.6	E14 Y68 N69 V75 T76 L84	E14-K72 IonicContact OE2-NZ 3.6Å; Y68-K72 HydrophobicContact CE1-CD 4.46Å; Y68-K72 WeakPolarHBondContact O-CB 3.31Å; Y68-K72 PolarHBondContact O-N 3.45Å; N69-K72 PolarHBondContact O-N 2.92Å; K72-V75 PolarHBondContact O-N 2.98Å; K72-T76 PolarHBondContact O-N 3.43Å; K72-T76 PolarHBondContact O-OG1 3.42Å; K72-T76 VanDerWaalsContact O-OG1 3.05Å; K72-L84 HydrophobicContact CB-CD1 3.88Å; K72-L84 HydrophobicContact CG-CD1 3.98Å
73	H	91	Very high	89.4	Confident	108 Å²	108	76.3 Å²	76.3	50%	0.5	38%	0.379	S	S	.	.	H	α-helix	trans	-64.1	-42.6	177.9	-167.7	82.3	0	0	0	112.7	N69 F70 I71 T76 K77	N69-H73 VanDerWaalsContact O-CB 3.3Å; N69-H73 WeakPolarHBondContact O-CB 3.43Å; N69-H73 PolarHBondContact O-N 2.91Å; F70-H73 PolarHBondContact O-N 3.43Å; I71-H73 VanDerWaalsContact C-N 3.28Å; I71-H73 PolarHBondContact O-N 3.46Å; H73-T76 PolarHBondContact O-N 2.9Å; H73-K77 WeakPolarHBondContact NE2-CE 3.5Å; H73-K77 WeakPolarHBondContact NE2-CG 3.41Å; H73-K77 WeakPolarHBondContact O-CB 3.5Å; H73-K77 VanDerWaalsContact O-CG 3.29Å; H73-K77 WeakPolarHBondContact O-CG 3.49Å; H73-K77 PolarHBondContact O-N 3.07Å
74	L	92.2	Very high	89.4	Confident	81 Å²	81	71.9 Å²	71.9	42%	0.424	36%	0.359	S	S	.	.	H	α-helix	trans	-61.2	-44.3	176.3	-77.5	178.7	0	0	0	112.1	F70 I71 K77 A78	F70-L74 HydrophobicContact CD1-CD1 3.9Å; F70-L74 HydrophobicContact CE1-CD1 3.34Å; F70-L74 HydrophobicContact CE1-CG 4.19Å; F70-L74 HydrophobicContact CE2-CD1 4.22Å; F70-L74 HydrophobicContact CE2-CD2 4.47Å; F70-L74 HydrophobicContact CE2-CG 4.24Å; F70-L74 HydrophobicContact CZ-CD1 3.53Å; F70-L74 HydrophobicContact CZ-CD2 4.32Å; F70-L74 HydrophobicContact CZ-CG 4.04Å; F70-L74 WeakPolarHBondContact O-CG 3.42Å; F70-L74 PolarHBondContact O-N 3.38Å; I71-L74 HydrophobicContact CD1-CD1 4.27Å; I71-L74 PolarHBondContact O-N 3.14Å; L74-K77 PolarHBondContact O-N 2.93Å; L74-A78 VanDerWaalsContact O-CB 3.28Å; L74-A78 WeakPolarHBondContact O-CB 3.37Å; L74-A78 PolarHBondContact O-N 3.03Å
75	V	91	Very high	89.8	Confident	20 Å²	20	69.1 Å²	69.1	12%	0.121	35%	0.346	C	S	.	.	H	α-helix	trans	-61.7	-46.3	177.7	171.8	0	0	0	0	110.7	I71 K72 A78 E79 L80 I82 L84	I71-V75 HydrophobicContact CG2-CG2 4.24Å; I71-V75 WeakPolarHBondContact O-CG2 3.43Å; I71-V75 PolarHBondContact O-N 2.99Å; K72-V75 PolarHBondContact O-N 2.98Å; V75-A78 PolarHBondContact O-N 2.88Å; V75-E79 PolarHBondContact O-N 3.24Å; V75-L80 HydrophobicContact CG1-CB 3.93Å; V75-L80 WeakPolarHBondContact CG1-O 3.49Å; V75-L80 PolarHBondContact O-N 2.97Å; V75-L80 VanDerWaalsContact O-N 3.13Å; V75-I82 HydrophobicContact CG1-CD1 4.07Å; V75-I82 HydrophobicContact CG1-CG1 3.65Å; V75-I82 HydrophobicContact CG2-CD1 4.33Å; V75-L84 HydrophobicContact CG2-CD2 3.92Å
76	T	89.9	Confident	90.1	Very high	97 Å²	97	72.5 Å²	72.5	60%	0.595	36%	0.362	S	S	*	.	H	α-helix	trans	-61.9	-44.5	175.4	-57.4	0	0	0	0	111.9	K72 H73 A78 E79	K72-T76 PolarHBondContact O-N 3.43Å; K72-T76 PolarHBondContact O-OG1 3.42Å; K72-T76 VanDerWaalsContact O-OG1 3.05Å; H73-T76 PolarHBondContact O-N 2.9Å; T76-A78 VanDerWaalsContact C-N 3.28Å; T76-A78 PolarHBondContact O-N 3.23Å; T76-E79 PolarHBondContact O-N 3.44Å; T76-E79 VanDerWaalsContact O-N 3.11Å
77	K	92.9	Very high	90.1	Very high	153 Å²	153	70.5 Å²	70.5	67%	0.665	36%	0.358	S	S	*	.	H	α-helix	trans	-67.8	-27.6	179.2	-75.4	-67.1	-178.5	-174.8	0	113.6	H73 L74	H73-K77 WeakPolarHBondContact NE2-CE 3.5Å; H73-K77 WeakPolarHBondContact NE2-CG 3.41Å; H73-K77 WeakPolarHBondContact O-CB 3.5Å; H73-K77 VanDerWaalsContact O-CG 3.29Å; H73-K77 WeakPolarHBondContact O-CG 3.49Å; H73-K77 PolarHBondContact O-N 3.07Å; L74-K77 PolarHBondContact O-N 2.93Å
78	A	93.3	Very high	90.1	Very high	57 Å²	57	70.7 Å²	70.7	47%	0.471	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	3.2	174.5	0	0	0	0	0	113.1	L74 V75 T76 L80	L74-A78 VanDerWaalsContact O-CB 3.28Å; L74-A78 WeakPolarHBondContact O-CB 3.37Å; L74-A78 PolarHBondContact O-N 3.03Å; V75-A78 PolarHBondContact O-N 2.88Å; T76-A78 VanDerWaalsContact C-N 3.28Å; T76-A78 PolarHBondContact O-N 3.23Å; A78-L80 HydrophobicContact CB-CD1 3.94Å; A78-L80 HydrophobicContact CB-CG 3.78Å; A78-L80 PolarHBondContact O-N 2.89Å
79	E	90.7	Very high	90.3	Very high	160 Å²	160	69.7 Å²	69.7	75%	0.748	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	33.4	-177.8	-59.4	180	170.5	0	0	112.6	V75 T76 H81	V75-E79 PolarHBondContact O-N 3.24Å; T76-E79 PolarHBondContact O-N 3.44Å; T76-E79 VanDerWaalsContact O-N 3.11Å; E79-H81 PolarHBondContact O-N 3.48Å
80	L	89.2	Confident	90.5	Very high	94 Å²	94	68 Å²	68	49%	0.492	34%	0.344	S	S	.	.			trans	-85.7	112.7	178.4	-63.7	177.4	0	0	0	109.4	V75 A78 I82	V75-L80 HydrophobicContact CG1-CB 3.93Å; V75-L80 WeakPolarHBondContact CG1-O 3.49Å; V75-L80 PolarHBondContact O-N 2.97Å; V75-L80 VanDerWaalsContact O-N 3.13Å; A78-L80 HydrophobicContact CB-CD1 3.94Å; A78-L80 HydrophobicContact CB-CG 3.78Å; A78-L80 PolarHBondContact O-N 2.89Å; L80-I82 HydrophobicContact CB-CG1 4.37Å; L80-I82 PolarHBondContact O-N 3.49Å
81	H	84.7	Confident	90.5	Very high	192 Å²	192	66.5 Å²	66.5	89%	0.889	34%	0.338	S	S	*	.			trans	-83	61.2	176	-60.6	-71.4	0	0	0	111.8	E79	E79-H81 PolarHBondContact O-N 3.48Å
82	I	88.4	Confident	90.4	Very high	85 Å²	85	65.8 Å²	65.8	44%	0.436	34%	0.335	S	S	.	.			trans	-111.2	141.7	180	63.9	173.8	0	0	0	111.4	V75 L80 L84	V75-I82 HydrophobicContact CG1-CD1 4.07Å; V75-I82 HydrophobicContact CG1-CG1 3.65Å; V75-I82 HydrophobicContact CG2-CD1 4.33Å; L80-I82 HydrophobicContact CB-CG1 4.37Å; L80-I82 PolarHBondContact O-N 3.49Å; I82-L84 PolarHBondContact O-N 3.38Å
83	S	88.4	Confident	90.4	Very high	25 Å²	25	64 Å²	64	18%	0.175	34%	0.34	C	S	.	.			trans	-72.2	117.7	165.9	167.9	0	0	0	0	109.1	Q85 E86 S87 E197	S83-Q85 VanDerWaalsContact C-N 3.27Å; S83-Q85 PolarHBondContact O-N 2.97Å; S83-Q85 PolarHBondContact OG-N 3.34Å; S83-E86 WeakPolarHBondContact OG-CB 3.4Å; S83-E86 PolarHBondContact OG-N 2.93Å; S83-S87 WeakPolarHBondContact O-CB 3.41Å; S83-S87 PolarHBondContact O-N 3.06Å; S83-S87 PolarHBondContact O-OG 3.16Å; S83-E197 WeakPolarHBondContact CB-OE2 3.46Å; S83-E197 PolarHBondContact OG-OE1 3.17Å; S83-E197 PolarHBondContact OG-OE2 3.15Å
84	L	87.1	Confident	90.1	Very high	24 Å²	24	68.2 Å²	68.2	13%	0.126	35%	0.352	C	S	.	.	H	α-helix	trans	-64.5	-36.4	172.6	-71.2	178.4	0	0	0	110.8	Y68 I71 K72 V75 I82 S87 F88	Y68-L84 HydrophobicContact CE2-CD1 4.33Å; I71-L84 HydrophobicContact CG2-CD2 4.3Å; K72-L84 HydrophobicContact CB-CD1 3.88Å; K72-L84 HydrophobicContact CG-CD1 3.98Å; V75-L84 HydrophobicContact CG2-CD2 3.92Å; I82-L84 PolarHBondContact O-N 3.38Å; L84-S87 PolarHBondContact O-N 2.87Å; L84-F88 HydrophobicContact CB-CD2 4.33Å; L84-F88 HydrophobicContact CB-CE2 4.14Å; L84-F88 WeakPolarHBondContact O-CB 3.34Å; L84-F88 WeakPolarHBondContact O-CD2 3.49Å; L84-F88 WeakPolarHBondContact O-CG 3.32Å; L84-F88 PolarHBondContact O-N 3.5Å
85	Q	90.2	Very high	89.7	Confident	17 Å²	17	65.3 Å²	65.3	8%	0.079	34%	0.34	C	S	.	.	H	α-helix	trans	-65.7	-46.6	-178.4	-58.7	-58	-32.1	0	0	111.2	S83 F88 L89 E197 F200 H201 N204	S83-Q85 VanDerWaalsContact C-N 3.27Å; S83-Q85 PolarHBondContact O-N 2.97Å; S83-Q85 PolarHBondContact OG-N 3.34Å; Q85-F88 PolarHBondContact O-N 3.33Å; Q85-L89 PolarHBondContact O-N 3.04Å; Q85-L89 VanDerWaalsContact O-N 3.15Å; Q85-E197 WeakPolarHBondContact CB-OE1 3.42Å; Q85-E197 WeakPolarHBondContact CG-OE1 3.27Å; Q85-F200 HydrophobicContact CB-CB 3.84Å; Q85-H201 HydrophobicContact CG-CB 4.27Å; Q85-N204 WeakPolarHBondContact CA-ND2 3.45Å; Q85-N204 PolarHBondContact O-ND2 3.11Å; Q85-N204 PolarHBondContact OE1-ND2 3.32Å
86	E	92.9	Very high	89.3	Confident	71 Å²	71	67.6 Å²	67.6	33%	0.332	36%	0.356	S	S	.	.	H	α-helix	trans	-59.2	-47.4	173.7	-168.2	-174	165.9	0	0	111.3	S83 F88 L89 H90 P127 F200	S83-E86 WeakPolarHBondContact OG-CB 3.4Å; S83-E86 PolarHBondContact OG-N 2.93Å; E86-F88 VanDerWaalsContact C-N 3.33Å; E86-F88 PolarHBondContact O-N 3.14Å; E86-L89 PolarHBondContact O-N 3.32Å; E86-L89 VanDerWaalsContact O-N 3.17Å; E86-H90 PolarHBondContact O-CD2 3.06Å; E86-H90 PolarHBondContact O-N 3.09Å; E86-H90 IonicContact OE1-NE2 3.85Å; E86-P127 HydrophobicContact CG-CB 3.76Å; E86-P127 HydrophobicContact CG-CG 4Å; E86-F200 HydrophobicContact CB-CD2 3.84Å; E86-F200 HydrophobicContact CB-CE2 3.93Å; E86-F200 HydrophobicContact CG-CD2 4.24Å; E86-F200 HydrophobicContact CG-CE2 3.87Å; E86-F200 HydrophobicContact CG-CZ 4.31Å
87	S	91.6	Very high	89	Confident	33 Å²	33	64.6 Å²	64.6	23%	0.231	34%	0.339	C	S	.	.	H	α-helix	trans	-59.4	-42.7	178.7	-61.3	0	0	0	0	111.9	S83 L84 H90 M91	S83-S87 WeakPolarHBondContact O-CB 3.41Å; S83-S87 PolarHBondContact O-N 3.06Å; S83-S87 PolarHBondContact O-OG 3.16Å; L84-S87 PolarHBondContact O-N 2.87Å; S87-H90 PolarHBondContact O-N 3.24Å; S87-M91 WeakPolarHBondContact O-CB 3.09Å; S87-M91 WeakPolarHBondContact O-CE 3.34Å; S87-M91 VanDerWaalsContact O-CG 3.27Å; S87-M91 WeakPolarHBondContact O-CG 3.43Å; S87-M91 PolarHBondContact O-N 3.13Å
88	F	90.6	Very high	88.4	Confident	3 Å²	3	61.6 Å²	61.6	1%	0.013	33%	0.331	C	S	.	.	H	α-helix	trans	-62.3	-41.3	176.5	-79.7	-58	0	0	0	112.4	T29 V32 Y68 L84 Q85 E86 M91 H92	T29-F88 VanDerWaalsContact OG1-CZ 3.3Å; T29-F88 WeakPolarHBondContact OG1-CZ 3.4Å; V32-F88 HydrophobicContact CG2-CD1 3.73Å; V32-F88 HydrophobicContact CG2-CE1 4.13Å; Y68-F88 HydrophobicContact CD2-CE2 4.01Å; Y68-F88 HydrophobicContact CD2-CZ 4.24Å; Y68-F88 AromaticContact CE2-CE2 3.84Å; Y68-F88 HydrophobicContact CE2-CE2 3.84Å; L84-F88 HydrophobicContact CB-CD2 4.33Å; L84-F88 HydrophobicContact CB-CE2 4.14Å; L84-F88 WeakPolarHBondContact O-CB 3.34Å; L84-F88 WeakPolarHBondContact O-CD2 3.49Å; L84-F88 WeakPolarHBondContact O-CG 3.32Å; L84-F88 PolarHBondContact O-N 3.5Å; Q85-F88 PolarHBondContact O-N 3.33Å; E86-F88 VanDerWaalsContact C-N 3.33Å; E86-F88 PolarHBondContact O-N 3.14Å; F88-M91 HydrophobicContact CD1-CE 3.57Å; F88-M91 HydrophobicContact CE1-CE 3.82Å; F88-M91 HydrophobicContact CG-CE 4.18Å; F88-M91 PolarHBondContact O-N 3.33Å; F88-H92 PolarHBondContact O-CD2 3.08Å; F88-H92 PolarHBondContact O-N 3.11Å
89	L	93.2	Very high	87.8	Confident	0 Å²	0	61 Å²	61	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-61.7	-48.5	176.1	-73.1	172.5	0	0	0	111.7	Q85 E86 M91 H92 G93 A124 P127 F200 A203 N204 I207	Q85-L89 PolarHBondContact O-N 3.04Å; Q85-L89 VanDerWaalsContact O-N 3.15Å; E86-L89 PolarHBondContact O-N 3.32Å; E86-L89 VanDerWaalsContact O-N 3.17Å; L89-M91 VanDerWaalsContact C-N 3.27Å; L89-M91 PolarHBondContact O-N 3.42Å; L89-H92 WeakPolarHBondContact O-CB 3.22Å; L89-H92 PolarHBondContact O-N 3.14Å; L89-H92 VanDerWaalsContact O-N 3.17Å; L89-G93 PolarHBondContact O-N 2.95Å; L89-G93 VanDerWaalsContact O-N 3.1Å; L89-A124 VanDerWaalsContact O-CB 3.26Å; L89-A124 WeakPolarHBondContact O-CB 3.45Å; L89-P127 HydrophobicContact CB-CG 3.69Å; L89-P127 HydrophobicContact CD1-CG 3.8Å; L89-P127 HydrophobicContact CG-CG 4.41Å; L89-F200 HydrophobicContact CD1-CB 3.73Å; L89-F200 HydrophobicContact CD1-CD1 3.8Å; L89-F200 HydrophobicContact CD1-CG 4.02Å; L89-A203 HydrophobicContact CD1-CB 4.14Å; L89-A203 HydrophobicContact CD2-CB 3.82Å; L89-N204 VanDerWaalsContact CD2-OD1 3.28Å; L89-N204 WeakPolarHBondContact CD2-OD1 3.48Å; L89-N204 WeakPolarHBondContact CG-OD1 3.43Å; L89-I207 HydrophobicContact CD2-CD1 3.74Å
90	H	92.7	Very high	87.5	Confident	36 Å²	36	53.4 Å²	53.4	17%	0.167	28%	0.283	C	S	.	.	H	α-helix	trans	-59.1	-39.7	175.2	-77.1	-56	0	0	0	112.6	E86 S87 G93 R94 P127 D128	E86-H90 PolarHBondContact O-CD2 3.06Å; E86-H90 PolarHBondContact O-N 3.09Å; E86-H90 IonicContact OE1-NE2 3.85Å; S87-H90 PolarHBondContact O-N 3.24Å; H90-G93 PolarHBondContact O-N 3.4Å; H90-R94 PolarHBondContact O-N 3.38Å; H90-P127 WeakPolarHBondContact NE2-CB 3.49Å; H90-D128 IonicContact CE1-OD1 3.25Å; H90-D128 PolarHBondContact CE1-OD1 3.4Å; H90-D128 VanDerWaalsContact CE1-OD1 3.25Å; H90-D128 IonicContact CE1-OD2 3.48Å; H90-D128 PolarHBondContact CE1-OD2 2.96Å; H90-D128 IonicContact ND1-OD2 3.59Å
91	M	91	Very high	87.2	Confident	39 Å²	39	55.3 Å²	55.3	19%	0.192	28%	0.283	C	S	.	.	H	α-helix	trans	-66.4	-39.9	176.8	-73.3	-172.9	-76.5	0	0	111.8	V32 L33 S87 F88 L89 G93 R94 A95	V32-M91 HydrophobicContact CB-CB 4.02Å; V32-M91 HydrophobicContact CG2-CB 3.96Å; L33-M91 HydrophobicContact CB-CE 4.15Å; L33-M91 HydrophobicContact CB-SD 3.74Å; L33-M91 HydrophobicContact CD1-CE 4.48Å; L33-M91 HydrophobicContact CD1-SD 3.74Å; L33-M91 HydrophobicContact CD2-CE 4.4Å; L33-M91 HydrophobicContact CG-SD 4.22Å; S87-M91 WeakPolarHBondContact O-CB 3.09Å; S87-M91 WeakPolarHBondContact O-CE 3.34Å; S87-M91 VanDerWaalsContact O-CG 3.27Å; S87-M91 WeakPolarHBondContact O-CG 3.43Å; S87-M91 PolarHBondContact O-N 3.13Å; F88-M91 HydrophobicContact CD1-CE 3.57Å; F88-M91 HydrophobicContact CE1-CE 3.82Å; F88-M91 HydrophobicContact CG-CE 4.18Å; F88-M91 PolarHBondContact O-N 3.33Å; L89-M91 VanDerWaalsContact C-N 3.27Å; L89-M91 PolarHBondContact O-N 3.42Å; M91-G93 PolarHBondContact O-N 3.48Å; M91-R94 PolarHBondContact O-N 3.48Å; M91-R94 VanDerWaalsContact O-N 3.11Å; M91-A95 WeakPolarHBondContact O-CB 3.34Å; M91-A95 PolarHBondContact O-N 2.85Å
92	H	89.9	Confident	87.3	Confident	2 Å²	2	46.3 Å²	46.3	1%	0.009	24%	0.242	C	C	.	.	H	α-helix	trans	-59.7	-34	173	-80.3	-62.9	0	0	0	112.8	V32 F88 L89 R94 R120 A124 I207	V32-H92 WeakPolarHBondContact CG1-ND1 3.49Å; F88-H92 PolarHBondContact O-CD2 3.08Å; F88-H92 PolarHBondContact O-N 3.11Å; L89-H92 WeakPolarHBondContact O-CB 3.22Å; L89-H92 PolarHBondContact O-N 3.14Å; L89-H92 VanDerWaalsContact O-N 3.17Å; H92-R94 VanDerWaalsContact C-N 3.3Å; H92-R94 PolarHBondContact O-N 3.37Å; H92-R120 HydrophobicContact CB-CG 4.36Å; H92-A124 HydrophobicContact CB-CB 4.3Å; H92-I207 HydrophobicContact CB-CD1 4.05Å
93	G	87.5	Confident	87.1	Confident	46 Å²	46	48 Å²	48	47%	0.474	25%	0.251	S	S	.	.	H	α-helix	trans	-68.6	-27.3	176.3	0	0	0	0	0	113.8	L89 H90 M91 A124	L89-G93 PolarHBondContact O-N 2.95Å; L89-G93 VanDerWaalsContact O-N 3.1Å; H90-G93 PolarHBondContact O-N 3.4Å; M91-G93 PolarHBondContact O-N 3.48Å; G93-A124 VanDerWaalsContact N-CB 3.3Å
94	R	85.3	Confident	86.8	Confident	197 Å²	197	53.8 Å²	53.8	74%	0.743	28%	0.28	S	S	*	.	H	α-helix	trans	-97.9	-18.4	179.4	-62.2	-179.6	-177.2	111.8	2.2	113.4	H90 M91 H92	H90-R94 PolarHBondContact O-N 3.38Å; M91-R94 PolarHBondContact O-N 3.48Å; M91-R94 VanDerWaalsContact O-N 3.11Å; H92-R94 VanDerWaalsContact C-N 3.3Å; H92-R94 PolarHBondContact O-N 3.37Å
95	A	83.6	Confident	86.6	Confident	21 Å²	21	53.2 Å²	53.2	17%	0.174	28%	0.28	C	S	.	.	S	Bend	trans	-65.4	144.9	-178.8	0	0	0	0	0	111.6	V32 M91 S97 R120	V32-A95 HydrophobicContact CG1-CB 4.04Å; M91-A95 WeakPolarHBondContact O-CB 3.34Å; M91-A95 PolarHBondContact O-N 2.85Å; A95-S97 PolarHBondContact O-N 3.4Å; A95-R120 PolarHBondContact O-NH2 2.95Å
96	S	81.4	Confident	86.6	Confident	68 Å²	68	54.7 Å²	54.7	48%	0.476	30%	0.3	S	S	.	.			trans	-56.2	143.1	173.1	178.1	0	0	0	0	110.7	D98 R120	S96-D98 VanDerWaalsContact C-N 3.3Å; S96-D98 WeakPolarHBondContact OG-CB 3.47Å; S96-D98 PolarHBondContact OG-N 3.2Å; S96-D98 VanDerWaalsContact OG-N 3.08Å; S96-D98 PolarHBondContact OG-OD2 3.17Å; S96-R120 VanDerWaalsContact C-NH2 3.33Å; S96-R120 PolarHBondContact O-NH1 3.34Å; S96-R120 PolarHBondContact O-NH2 3.37Å
97	S	83.9	Confident	86.6	Confident	34 Å²	34	55.2 Å²	55.2	24%	0.238	32%	0.317	C	S	.	.	S	Bend	trans	-89.2	4.5	173.5	-61	0	0	0	0	112.6	A95 E99 L100 R101 R120	A95-S97 PolarHBondContact O-N 3.4Å; S97-E99 PolarHBondContact O-N 3.32Å; S97-L100 WeakPolarHBondContact O-CA 3.49Å; S97-L100 WeakPolarHBondContact O-CB 3.35Å; S97-L100 PolarHBondContact O-N 3.14Å; S97-R101 WeakPolarHBondContact O-CG 3.46Å; S97-R101 PolarHBondContact O-N 2.9Å; S97-R101 VanDerWaalsContact O-N 3.08Å; S97-R120 PolarHBondContact OG-NH2 3.33Å; S97-R120 VanDerWaalsContact OG-NH2 3.11Å
98	D	80.9	Confident	86.6	Confident	90 Å²	90	55.8 Å²	55.8	48%	0.481	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-33.9	-176.6	-63.6	-32.7	0	0	0	112.6	S96 L100 R101	S96-D98 VanDerWaalsContact C-N 3.3Å; S96-D98 WeakPolarHBondContact OG-CB 3.47Å; S96-D98 PolarHBondContact OG-N 3.2Å; S96-D98 VanDerWaalsContact OG-N 3.08Å; S96-D98 PolarHBondContact OG-OD2 3.17Å; D98-L100 PolarHBondContact O-N 2.9Å; D98-R101 PolarHBondContact O-N 3.5Å; D98-R101 VanDerWaalsContact O-N 3.15Å; D98-R101 IonicContact OD1-CZ 2.69Å; D98-R101 IonicContact OD1-NE 2.84Å; D98-R101 IonicContact OD1-NH1 3.92Å; D98-R101 PolarHBondContact OD1-NH1 3.45Å
99	E	80.5	Confident	86.8	Confident	44 Å²	44	56.1 Å²	56.1	21%	0.206	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-17	173.8	72.2	179	172.8	0	0	113.5	S97 R120 M211 R218	S97-E99 PolarHBondContact O-N 3.32Å; E99-R120 IonicContact OE1-NH1 3.69Å; E99-R120 PolarHBondContact OE1-NH1 3.34Å; E99-M211 WeakPolarHBondContact OE1-CE 3.36Å; E99-R218 VanDerWaalsContact C-NH2 3.32Å; E99-R218 PolarHBondContact O-NH1 3.12Å; E99-R218 VanDerWaalsContact O-NH1 3.12Å; E99-R218 PolarHBondContact O-NH2 2.84Å
100	L	84.2	Confident	86.9	Confident	1 Å²	1	60.2 Å²	60.2	1%	0.005	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-17.8	175.6	-60	179.4	0	0	0	112.1	S97 D98 L102 G113 A117 R120 I210 M211 I214	S97-L100 WeakPolarHBondContact O-CA 3.49Å; S97-L100 WeakPolarHBondContact O-CB 3.35Å; S97-L100 PolarHBondContact O-N 3.14Å; D98-L100 PolarHBondContact O-N 2.9Å; L100-L102 PolarHBondContact O-N 3.23Å; L100-G113 CarbonylContact O-C 3.54Å; L100-G113 WeakPolarHBondContact O-CA 3.2Å; L100-A117 HydrophobicContact CB-CB 4.18Å; L100-A117 HydrophobicContact CD1-CB 4.07Å; L100-R120 HydrophobicContact CD1-CB 4.16Å; L100-I210 HydrophobicContact CD2-CG2 4.41Å; L100-M211 HydrophobicContact CD2-CG 4.41Å; L100-I214 HydrophobicContact CD2-CB 4.16Å; L100-I214 HydrophobicContact CD2-CG1 3.98Å; L100-I214 HydrophobicContact CD2-CG2 4.29Å
101	R	84.3	Confident	87	Confident	133 Å²	133	61.2 Å²	61.2	50%	0.502	34%	0.344	S	S	.	.			trans	-73.6	127.1	175.9	-68.9	175	176.6	167.7	-9.1	109.5	S97 D98 L103 R218	S97-R101 WeakPolarHBondContact O-CG 3.46Å; S97-R101 PolarHBondContact O-N 2.9Å; S97-R101 VanDerWaalsContact O-N 3.08Å; D98-R101 PolarHBondContact O-N 3.5Å; D98-R101 VanDerWaalsContact O-N 3.15Å; D98-R101 IonicContact OD1-CZ 2.69Å; D98-R101 IonicContact OD1-NE 2.84Å; D98-R101 IonicContact OD1-NH1 3.92Å; D98-R101 PolarHBondContact OD1-NH1 3.45Å; R101-L103 HydrophobicContact CB-CD2 4.08Å; R101-L103 HydrophobicContact CB-CG 4.01Å; R101-R218 PolarHBondContact O-NH2 3.2Å
102	L	86.7	Confident	87.2	Confident	4 Å²	4	59.3 Å²	59.3	2%	0.021	34%	0.335	C	S	.	.			trans	-108.2	53	-179	-68.1	170.7	0	0	0	110.2	L100 N104 G105 V109 Q110 I214 I217 R218 I222	L100-L102 PolarHBondContact O-N 3.23Å; L102-N104 PolarHBondContact O-N 3.44Å; L102-N104 VanDerWaalsContact O-N 3.15Å; L102-G105 PolarHBondContact O-N 2.96Å; L102-V109 HydrophobicContact CB-CG1 3.85Å; L102-V109 HydrophobicContact CD1-CG1 3.81Å; L102-V109 WeakPolarHBondContact CD1-O 3.35Å; L102-V109 HydrophobicContact CG-CG1 4.38Å; L102-Q110 WeakPolarHBondContact O-CG 3.32Å; L102-I214 HydrophobicContact CD1-CD1 3.87Å; L102-I214 HydrophobicContact CD1-CG2 4.31Å; L102-I214 HydrophobicContact CD2-CG2 3.92Å; L102-I214 HydrophobicContact CG-CG2 4.16Å; L102-I217 HydrophobicContact CD1-CB 4.26Å; L102-I217 HydrophobicContact CD1-CG2 3.61Å; L102-I217 HydrophobicContact CD2-CG2 4.18Å; L102-R218 HydrophobicContact CD2-CB 4.11Å; L102-I222 HydrophobicContact CB-CD1 3.74Å; L102-I222 HydrophobicContact CD2-CD1 3.51Å; L102-I222 HydrophobicContact CG-CD1 4.16Å
103	L	82.4	Confident	87.5	Confident	121 Å²	121	59.2 Å²	59.2	63%	0.634	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-30	-166.2	-60.6	177.5	0	0	0	114.5	R101 G105 Q110	R101-L103 HydrophobicContact CB-CD2 4.08Å; R101-L103 HydrophobicContact CB-CG 4.01Å; L103-G105 VanDerWaalsContact C-N 3.31Å; L103-Q110 PolarHBondContact O-NE2 3.48Å; L103-Q110 VanDerWaalsContact O-NE2 3.1Å
104	N	83.3	Confident	87.9	Confident	145 Å²	145	62.3 Å²	62.3	78%	0.775	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-3.9	-179.4	-61.6	-14.6	0	0	0	113.1	L102 I222	L102-N104 PolarHBondContact O-N 3.44Å; L102-N104 VanDerWaalsContact O-N 3.15Å; N104-I222 HydrophobicContact CB-CG2 3.53Å
105	G	82.2	Confident	88.4	Confident	12 Å²	12	56 Å²	56	12%	0.124	31%	0.313	C	S	.	.	S	Bend	trans	-85.2	165.8	175.6	0	0	0	0	0	112.7	L102 L103 Q110	L102-G105 PolarHBondContact O-N 2.96Å; L103-G105 VanDerWaalsContact C-N 3.31Å; G105-Q110 PolarHBondContact O-NE2 3.41Å
106	G	89.7	Confident	89	Confident	49 Å²	49	55 Å²	55	51%	0.505	31%	0.305	S	S	.	.			trans	-64.8	170.6	170	0	0	0	0	0	112.8	V108 V109 Q110	G106-V108 VanDerWaalsContact C-N 3.27Å; G106-V108 PolarHBondContact O-N 2.77Å; G106-V108 VanDerWaalsContact O-N 3.11Å; G106-V109 WeakPolarHBondContact O-CA 3.22Å; G106-V109 WeakPolarHBondContact O-CB 3.39Å; G106-V109 PolarHBondContact O-N 3.17Å; G106-Q110 PolarHBondContact O-N 3.07Å
107	A	93	Very high	89.7	Confident	82 Å²	82	52.4 Å²	52.4	68%	0.678	29%	0.288	S	S	*	.	H	α-helix	trans	-51.6	-40.8	-173.8	0	0	0	0	0	114.1	Q110 E111	A107-Q110 PolarHBondContact O-N 3.15Å; A107-E111 WeakPolarHBondContact O-CB 3.49Å; A107-E111 PolarHBondContact O-N 3.1Å
108	V	93.5	Very high	90.3	Very high	45 Å²	45	53.7 Å²	53.7	27%	0.273	29%	0.291	S	S	.	.	H	α-helix	trans	-67.8	-37.3	178.7	-178	0	0	0	0	112	G106 E111 V112 L157 L160	G106-V108 VanDerWaalsContact C-N 3.27Å; G106-V108 PolarHBondContact O-N 2.77Å; G106-V108 VanDerWaalsContact O-N 3.11Å; V108-E111 PolarHBondContact O-N 3.09Å; V108-V112 WeakPolarHBondContact O-CG2 3.42Å; V108-V112 PolarHBondContact O-N 2.91Å; V108-V112 VanDerWaalsContact O-N 3.14Å; V108-L157 HydrophobicContact CG1-CB 3.87Å; V108-L157 HydrophobicContact CG1-CD1 4.28Å; V108-L160 HydrophobicContact CB-CD1 4.11Å; V108-L160 HydrophobicContact CG1-CD1 4.32Å; V108-L160 HydrophobicContact CG2-CD1 3.78Å
109	V	93.9	Very high	91.1	Very high	10 Å²	10	49.4 Å²	49.4	6%	0.061	27%	0.268	C	S	.	.	H	α-helix	trans	-68.7	-41.8	177.1	178.4	0	0	0	0	110.4	L102 G106 E111 V112 G113 L157 I217 I221 I222	L102-V109 HydrophobicContact CB-CG1 3.85Å; L102-V109 HydrophobicContact CD1-CG1 3.81Å; L102-V109 WeakPolarHBondContact CD1-O 3.35Å; L102-V109 HydrophobicContact CG-CG1 4.38Å; G106-V109 WeakPolarHBondContact O-CA 3.22Å; G106-V109 WeakPolarHBondContact O-CB 3.39Å; G106-V109 PolarHBondContact O-N 3.17Å; V109-E111 VanDerWaalsContact C-N 3.34Å; V109-E111 PolarHBondContact O-N 2.97Å; V109-V112 PolarHBondContact O-N 3.46Å; V109-G113 PolarHBondContact O-N 3.37Å; V109-L157 HydrophobicContact CG2-CD1 3.55Å; V109-I217 HydrophobicContact CG1-CG2 3.8Å; V109-I221 HydrophobicContact CG2-CG2 4.25Å; V109-I222 HydrophobicContact CG1-CD1 3.88Å; V109-I222 HydrophobicContact CG1-CG1 4.25Å
110	Q	94.2	Very high	91.8	Very high	85 Å²	85	47.4 Å²	47.4	40%	0.397	26%	0.259	S	S	.	.	H	α-helix	trans	-62	-41.8	175	-67.7	-179.2	18.7	0	0	111.9	L102 L103 G105 G106 A107 V112 G113 Q114	L102-Q110 WeakPolarHBondContact O-CG 3.32Å; L103-Q110 PolarHBondContact O-NE2 3.48Å; L103-Q110 VanDerWaalsContact O-NE2 3.1Å; G105-Q110 PolarHBondContact O-NE2 3.41Å; G106-Q110 PolarHBondContact O-N 3.07Å; A107-Q110 PolarHBondContact O-N 3.15Å; Q110-V112 VanDerWaalsContact C-N 3.35Å; Q110-V112 PolarHBondContact O-N 3.23Å; Q110-G113 PolarHBondContact O-N 3.49Å; Q110-G113 VanDerWaalsContact O-N 3.17Å; Q110-Q114 PolarHBondContact O-N 3.08Å
111	E	95.4	Very high	92.3	Very high	57 Å²	57	50 Å²	50	27%	0.266	28%	0.277	S	S	.	.	H	α-helix	trans	-58.8	-44.3	175.9	177.6	65.5	-172.2	0	0	111.5	A107 V108 V109 G113 Q114 R115 A153	A107-E111 WeakPolarHBondContact O-CB 3.49Å; A107-E111 PolarHBondContact O-N 3.1Å; V108-E111 PolarHBondContact O-N 3.09Å; V109-E111 VanDerWaalsContact C-N 3.34Å; V109-E111 PolarHBondContact O-N 2.97Å; E111-G113 VanDerWaalsContact C-N 3.33Å; E111-G113 PolarHBondContact O-N 3.06Å; E111-Q114 PolarHBondContact O-N 3.15Å; E111-R115 HydrophobicContact CG-CG 4.45Å; E111-R115 VanDerWaalsContact O-CG 3.31Å; E111-R115 WeakPolarHBondContact O-CG 3.22Å; E111-R115 PolarHBondContact O-N 3.18Å; E111-R115 IonicContact OE1-CZ 2.75Å; E111-R115 IonicContact OE1-NE 3.52Å; E111-R115 PolarHBondContact OE1-NE 2.97Å; E111-R115 IonicContact OE1-NH2 3.86Å; E111-R115 PolarHBondContact OE1-NH2 3.39Å; E111-A153 HydrophobicContact CG-CB 3.96Å
112	V	96.6	Very high	93	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-57.5	-46.5	174.8	171.9	0	0	0	0	111.1	V108 V109 Q110 Q114 R115 A116 L150 A153 I154 L157 F213 I214 I217	V108-V112 WeakPolarHBondContact O-CG2 3.42Å; V108-V112 PolarHBondContact O-N 2.91Å; V108-V112 VanDerWaalsContact O-N 3.14Å; V109-V112 PolarHBondContact O-N 3.46Å; Q110-V112 VanDerWaalsContact C-N 3.35Å; Q110-V112 PolarHBondContact O-N 3.23Å; V112-Q114 PolarHBondContact O-N 3.27Å; V112-R115 PolarHBondContact O-N 2.61Å; V112-A116 WeakPolarHBondContact O-CB 3.37Å; V112-A116 PolarHBondContact O-N 2.8Å; V112-L150 HydrophobicContact CG1-CD1 4.15Å; V112-A153 HydrophobicContact CG2-CB 3.8Å; V112-I154 HydrophobicContact CG1-CG1 4.18Å; V112-I154 HydrophobicContact CG2-CG1 4.28Å; V112-L157 HydrophobicContact CG2-CB 4.48Å; V112-L157 HydrophobicContact CG2-CD2 4.29Å; V112-F213 HydrophobicContact CG1-CD1 4.48Å; V112-F213 HydrophobicContact CG1-CE1 3.98Å; V112-I214 HydrophobicContact CG1-CD1 3.99Å; V112-I217 HydrophobicContact CG1-CD1 3.71Å
113	G	95.3	Very high	93.5	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-61.9	-41.3	177	0	0	0	0	0	113.3	L100 V109 Q110 E111 A116 A117	L100-G113 CarbonylContact O-C 3.54Å; L100-G113 WeakPolarHBondContact O-CA 3.2Å; V109-G113 PolarHBondContact O-N 3.37Å; Q110-G113 PolarHBondContact O-N 3.49Å; Q110-G113 VanDerWaalsContact O-N 3.17Å; E111-G113 VanDerWaalsContact C-N 3.33Å; E111-G113 PolarHBondContact O-N 3.06Å; G113-A116 WeakPolarHBondContact O-CB 3.47Å; G113-A116 PolarHBondContact O-N 2.68Å; G113-A117 PolarHBondContact O-N 3.23Å
114	Q	95.3	Very high	94.2	Very high	110 Å²	110	38 Å²	38	51%	0.514	22%	0.224	S	C	.	.	H	α-helix	trans	-65	-45.2	176.9	-174.4	177.1	10	0	0	111.9	Q110 E111 V112 A116 A117 I118	Q110-Q114 PolarHBondContact O-N 3.08Å; E111-Q114 PolarHBondContact O-N 3.15Å; V112-Q114 PolarHBondContact O-N 3.27Å; Q114-A116 VanDerWaalsContact C-N 3.33Å; Q114-A116 PolarHBondContact O-N 3.3Å; Q114-A117 PolarHBondContact O-N 2.89Å; Q114-I118 HydrophobicContact CG-CD1 4.13Å; Q114-I118 WeakPolarHBondContact O-CG1 3.41Å; Q114-I118 PolarHBondContact O-N 3.44Å
115	R	96.8	Very high	94.8	Very high	64 Å²	64	34.9 Å²	34.9	24%	0.242	20%	0.201	C	C	.	.	H	α-helix	trans	-64.6	-38.5	177.3	-65.2	-58.5	-179.4	-158.9	-11.4	112	E111 V112 I118 L119 L150 A153	E111-R115 HydrophobicContact CG-CG 4.45Å; E111-R115 VanDerWaalsContact O-CG 3.31Å; E111-R115 WeakPolarHBondContact O-CG 3.22Å; E111-R115 PolarHBondContact O-N 3.18Å; E111-R115 IonicContact OE1-CZ 2.75Å; E111-R115 IonicContact OE1-NE 3.52Å; E111-R115 PolarHBondContact OE1-NE 2.97Å; E111-R115 IonicContact OE1-NH2 3.86Å; E111-R115 PolarHBondContact OE1-NH2 3.39Å; V112-R115 PolarHBondContact O-N 2.61Å; R115-I118 PolarHBondContact O-N 3.41Å; R115-L119 WeakPolarHBondContact O-CB 3.32Å; R115-L119 PolarHBondContact O-N 2.79Å; R115-L150 HydrophobicContact CB-CB 4.04Å; R115-L150 HydrophobicContact CB-CD1 3.88Å; R115-A153 HydrophobicContact CG-CB 4.41Å
116	A	96.3	Very high	95.6	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.008	20%	0.195	C	C	.	.	H	α-helix	trans	-59.6	-45.7	173	0	0	0	0	0	112.1	V112 G113 Q114 L119 R120 L150 I210 I214	V112-A116 WeakPolarHBondContact O-CB 3.37Å; V112-A116 PolarHBondContact O-N 2.8Å; G113-A116 WeakPolarHBondContact O-CB 3.47Å; G113-A116 PolarHBondContact O-N 2.68Å; Q114-A116 VanDerWaalsContact C-N 3.33Å; Q114-A116 PolarHBondContact O-N 3.3Å; A116-L119 PolarHBondContact O-N 3.12Å; A116-R120 PolarHBondContact O-N 3.3Å; A116-L150 HydrophobicContact CB-CD1 4.31Å; A116-I210 HydrophobicContact CB-CG2 3.46Å; A116-I210 VanDerWaalsContact CB-CG2 3.46Å; A116-I214 HydrophobicContact CB-CD1 3.73Å; A116-I214 HydrophobicContact CB-CG1 3.81Å
117	A	95.3	Very high	95.9	Very high	14 Å²	14	32.7 Å²	32.7	12%	0.116	18%	0.176	C	C	.	.	H	α-helix	trans	-62	-44.4	177.3	0	0	0	0	0	112.6	L100 G113 Q114 R120 S121	L100-A117 HydrophobicContact CB-CB 4.18Å; L100-A117 HydrophobicContact CD1-CB 4.07Å; G113-A117 PolarHBondContact O-N 3.23Å; Q114-A117 PolarHBondContact O-N 2.89Å; A117-R120 PolarHBondContact O-N 3.01Å; A117-S121 PolarHBondContact O-N 2.86Å; A117-S121 PolarHBondContact O-OG 2.89Å
118	I	95.9	Very high	96.1	Very high	60 Å²	60	34.3 Å²	34.3	31%	0.308	17%	0.173	S	C	.	.	H	α-helix	trans	-62.7	-45.3	176.9	-67.2	166.2	0	0	0	110.8	Q114 R115 R120 S121 I122	Q114-I118 HydrophobicContact CG-CD1 4.13Å; Q114-I118 WeakPolarHBondContact O-CG1 3.41Å; Q114-I118 PolarHBondContact O-N 3.44Å; R115-I118 PolarHBondContact O-N 3.41Å; I118-R120 VanDerWaalsContact C-N 3.35Å; I118-R120 PolarHBondContact O-N 3.46Å; I118-S121 WeakPolarHBondContact CA-OG 3.45Å; I118-S121 PolarHBondContact O-N 2.9Å; I118-S121 PolarHBondContact O-OG 3.36Å; I118-I122 HydrophobicContact CG2-CD1 3.71Å; I118-I122 HydrophobicContact CG2-CG1 4.43Å; I118-I122 WeakPolarHBondContact O-CD1 3.49Å; I118-I122 VanDerWaalsContact O-CG1 3.23Å; I118-I122 WeakPolarHBondContact O-CG1 3.19Å; I118-I122 PolarHBondContact O-N 2.94Å
119	L	97.7	Very high	96.3	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-61.9	-43.4	177.8	-179.8	55.9	0	0	0	111.7	R115 A116 S121 I122 L123 I143 S146 I147 L150 F176 I210	R115-L119 WeakPolarHBondContact O-CB 3.32Å; R115-L119 PolarHBondContact O-N 2.79Å; A116-L119 PolarHBondContact O-N 3.12Å; L119-S121 VanDerWaalsContact C-N 3.34Å; L119-S121 PolarHBondContact O-N 3.45Å; L119-I122 PolarHBondContact O-N 2.86Å; L119-L123 HydrophobicContact CD1-CD1 4.09Å; L119-L123 HydrophobicContact CD1-CG 4.16Å; L119-L123 HydrophobicContact CG-CD1 3.99Å; L119-L123 WeakPolarHBondContact O-CG 3.38Å; L119-L123 PolarHBondContact O-N 2.97Å; L119-I143 HydrophobicContact CD1-CG2 4.21Å; L119-S146 WeakPolarHBondContact CA-OG 3.41Å; L119-S146 WeakPolarHBondContact CB-OG 3.33Å; L119-S146 PolarHBondContact N-OG 3.49Å; L119-I147 HydrophobicContact CD1-CG1 3.8Å; L119-I147 HydrophobicContact CD2-CG1 3.73Å; L119-I147 HydrophobicContact CG-CG1 4.46Å; L119-L150 HydrophobicContact CD2-CD2 3.83Å; L119-F176 HydrophobicContact CD2-CE2 4.04Å; L119-F176 HydrophobicContact CD2-CZ 3.66Å; L119-I210 HydrophobicContact CB-CD1 4.04Å; L119-I210 HydrophobicContact CD2-CD1 3.52Å; L119-I210 HydrophobicContact CD2-CG1 4.22Å; L119-I210 HydrophobicContact CG-CD1 3.59Å
120	R	95.9	Very high	96.5	Very high	3 Å²	3	33.9 Å²	33.9	1%	0.011	17%	0.168	C	C	.	.	H	α-helix	trans	-57.8	-46.3	175	-175.1	-176	71.4	176.5	11.4	111.4	H92 A95 S96 S97 E99 L100 A116 A117 I118 I122 L123 A124 I207	H92-R120 HydrophobicContact CB-CG 4.36Å; A95-R120 PolarHBondContact O-NH2 2.95Å; S96-R120 VanDerWaalsContact C-NH2 3.33Å; S96-R120 PolarHBondContact O-NH1 3.34Å; S96-R120 PolarHBondContact O-NH2 3.37Å; S97-R120 PolarHBondContact OG-NH2 3.33Å; S97-R120 VanDerWaalsContact OG-NH2 3.11Å; E99-R120 IonicContact OE1-NH1 3.69Å; E99-R120 PolarHBondContact OE1-NH1 3.34Å; L100-R120 HydrophobicContact CD1-CB 4.16Å; A116-R120 PolarHBondContact O-N 3.3Å; A117-R120 PolarHBondContact O-N 3.01Å; I118-R120 VanDerWaalsContact C-N 3.35Å; I118-R120 PolarHBondContact O-N 3.46Å; R120-I122 VanDerWaalsContact C-N 3.32Å; R120-I122 PolarHBondContact O-N 3.44Å; R120-L123 PolarHBondContact O-N 3.35Å; R120-A124 WeakPolarHBondContact O-CB 3.42Å; R120-A124 PolarHBondContact O-N 3.36Å; R120-I207 HydrophobicContact CG-CD1 4.16Å; R120-I207 HydrophobicContact CG-CG1 4.21Å; R120-I207 HydrophobicContact CG-CG2 3.86Å
121	S	95.7	Very high	96.5	Very high	56 Å²	56	33.5 Å²	33.5	39%	0.392	19%	0.187	S	C	.	.	H	α-helix	trans	-64.9	-36.1	-179.2	59.4	0	0	0	0	112.8	A117 I118 L119	A117-S121 PolarHBondContact O-N 2.86Å; A117-S121 PolarHBondContact O-OG 2.89Å; I118-S121 WeakPolarHBondContact CA-OG 3.45Å; I118-S121 PolarHBondContact O-N 2.9Å; I118-S121 PolarHBondContact O-OG 3.36Å; L119-S121 VanDerWaalsContact C-N 3.34Å; L119-S121 PolarHBondContact O-N 3.45Å
122	I	97.6	Very high	96.6	Very high	4 Å²	4	34.6 Å²	34.6	2%	0.021	20%	0.195	C	C	.	.	H	α-helix	trans	-67.6	-46.8	177	-64.6	162.4	0	0	0	110.1	I118 L119 R120 A124 R125 T139 E142 I143	I118-I122 HydrophobicContact CG2-CD1 3.71Å; I118-I122 HydrophobicContact CG2-CG1 4.43Å; I118-I122 WeakPolarHBondContact O-CD1 3.49Å; I118-I122 VanDerWaalsContact O-CG1 3.23Å; I118-I122 WeakPolarHBondContact O-CG1 3.19Å; I118-I122 PolarHBondContact O-N 2.94Å; L119-I122 PolarHBondContact O-N 2.86Å; R120-I122 VanDerWaalsContact C-N 3.32Å; R120-I122 PolarHBondContact O-N 3.44Å; I122-A124 VanDerWaalsContact C-N 3.27Å; I122-A124 PolarHBondContact O-N 2.84Å; I122-R125 PolarHBondContact O-N 3.5Å; I122-T139 HydrophobicContact CG2-CG2 4.36Å; I122-E142 HydrophobicContact CD1-CG 3.78Å; I122-E142 WeakPolarHBondContact CD1-OE1 3.49Å; I122-E142 HydrophobicContact CG1-CG 4.28Å; I122-E142 WeakPolarHBondContact CG1-OE1 3.28Å; I122-E142 HydrophobicContact CG2-CB 4.18Å; I122-E142 HydrophobicContact CG2-CG 4.36Å; I122-I143 HydrophobicContact CB-CG1 4.46Å; I122-I143 HydrophobicContact CG2-CB 4.35Å; I122-I143 HydrophobicContact CG2-CD1 4.36Å; I122-I143 HydrophobicContact CG2-CG1 3.34Å
123	L	97.7	Very high	96.5	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-60.4	-37.2	178.1	-71.7	167.5	0	0	0	112.1	L119 R120 R125 I126 I143 F183 A203 L206 I207 I210	L119-L123 HydrophobicContact CD1-CD1 4.09Å; L119-L123 HydrophobicContact CD1-CG 4.16Å; L119-L123 HydrophobicContact CG-CD1 3.99Å; L119-L123 WeakPolarHBondContact O-CG 3.38Å; L119-L123 PolarHBondContact O-N 2.97Å; R120-L123 PolarHBondContact O-N 3.35Å; L123-R125 PolarHBondContact O-N 2.87Å; L123-I126 HydrophobicContact CD2-CD1 3.92Å; L123-I126 WeakPolarHBondContact O-CB 3.44Å; L123-I126 WeakPolarHBondContact O-CD1 3.37Å; L123-I126 VanDerWaalsContact O-CG1 3.26Å; L123-I126 WeakPolarHBondContact O-CG1 3.33Å; L123-I126 PolarHBondContact O-N 3.1Å; L123-I143 HydrophobicContact CD2-CD1 3.9Å; L123-I143 HydrophobicContact CD2-CG1 4.16Å; L123-I143 HydrophobicContact CD2-CG2 4.12Å; L123-F183 HydrophobicContact CD2-CE1 4.3Å; L123-F183 HydrophobicContact CD2-CZ 4.17Å; L123-A203 HydrophobicContact CD2-CB 4.46Å; L123-L206 HydrophobicContact CD1-CB 4.26Å; L123-L206 HydrophobicContact CD1-CD2 3.89Å; L123-L206 HydrophobicContact CD1-CG 3.96Å; L123-L206 HydrophobicContact CD2-CD2 4.07Å; L123-I207 HydrophobicContact CB-CD1 3.91Å; L123-I207 HydrophobicContact CB-CG1 3.97Å; L123-I207 HydrophobicContact CD1-CG1 3.71Å; L123-I207 HydrophobicContact CG-CG1 4.49Å; L123-I210 HydrophobicContact CD1-CD1 4.12Å
124	A	96.5	Very high	96.6	Very high	2 Å²	2	53 Å²	53	2%	0.017	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-17.3	179.3	0	0	0	0	0	114.7	L89 H92 G93 R120 I122	L89-A124 VanDerWaalsContact O-CB 3.26Å; L89-A124 WeakPolarHBondContact O-CB 3.45Å; H92-A124 HydrophobicContact CB-CB 4.3Å; G93-A124 VanDerWaalsContact N-CB 3.3Å; R120-A124 WeakPolarHBondContact O-CB 3.42Å; R120-A124 PolarHBondContact O-N 3.36Å; I122-A124 VanDerWaalsContact C-N 3.27Å; I122-A124 PolarHBondContact O-N 2.84Å
125	R	97.2	Very high	96.7	Very high	78 Å²	78	50.7 Å²	50.7	29%	0.294	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-7.9	176.8	-63.6	-179.6	-58.5	174.4	4	113.9	I122 L123 P127 D128 E129 E142	I122-R125 PolarHBondContact O-N 3.5Å; L123-R125 PolarHBondContact O-N 2.87Å; R125-P127 VanDerWaalsContact C-CD 3.48Å; R125-P127 VanDerWaalsContact C-N 3.32Å; R125-D128 PolarHBondContact O-N 3.04Å; R125-E129 HydrophobicContact CB-CG 4.36Å; R125-E129 IonicContact CZ-OE1 3.84Å; R125-E129 IonicContact NE-OE1 3.63Å; R125-E129 IonicContact NE-OE2 3.61Å; R125-E129 IonicContact NH1-OE1 3.9Å; R125-E129 PolarHBondContact O-N 3.38Å; R125-E129 VanDerWaalsContact O-N 3.12Å; R125-E142 IonicContact CZ-OE2 3.73Å; R125-E142 IonicContact NH1-OE2 3.78Å; R125-E142 VanDerWaalsContact NH2-CD 3.27Å; R125-E142 IonicContact NH2-OE1 2.89Å; R125-E142 IonicContact NH2-OE2 3.54Å; R125-E142 PolarHBondContact NH2-OE2 3.42Å
126	I	97.8	Very high	96.8	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-51.6	-46.2	-177.5	-71.6	167.3	0	0	0	112.2	L123 D128 E129 I130 F136 I143 F183 V199 F200 A203	L123-I126 HydrophobicContact CD2-CD1 3.92Å; L123-I126 WeakPolarHBondContact O-CB 3.44Å; L123-I126 WeakPolarHBondContact O-CD1 3.37Å; L123-I126 VanDerWaalsContact O-CG1 3.26Å; L123-I126 WeakPolarHBondContact O-CG1 3.33Å; L123-I126 PolarHBondContact O-N 3.1Å; I126-D128 VanDerWaalsContact C-N 3.3Å; I126-D128 PolarHBondContact O-N 2.73Å; I126-E129 PolarHBondContact O-N 3.27Å; I126-I130 HydrophobicContact CG2-CB 4.42Å; I126-I130 HydrophobicContact CG2-CD1 4.17Å; I126-I130 WeakPolarHBondContact O-CB 3.44Å; I126-I130 WeakPolarHBondContact O-CG2 3.39Å; I126-I130 PolarHBondContact O-N 3.33Å; I126-F136 HydrophobicContact CG1-CE2 4.45Å; I126-F136 HydrophobicContact CG2-CE2 4.08Å; I126-I143 HydrophobicContact CD1-CD1 3.96Å; I126-I143 HydrophobicContact CG1-CD1 4.2Å; I126-F183 HydrophobicContact CD1-CE2 3.93Å; I126-F183 HydrophobicContact CD1-CZ 3.68Å; I126-V199 HydrophobicContact CG2-CG1 4.05Å; I126-F200 HydrophobicContact CG2-CD1 3.94Å; I126-F200 HydrophobicContact CG2-CE1 3.9Å; I126-A203 HydrophobicContact CD1-CB 3.7Å
127	P	97.1	Very high	96.9	Very high	16 Å²	16	51 Å²	51	10%	0.104	26%	0.264	C	S	.	.	H	α-helix	trans	-56.5	-39.9	177.6	-29.2	38.7	0	0	0	114.6	E86 L89 H90 R125 F200	E86-P127 HydrophobicContact CG-CB 3.76Å; E86-P127 HydrophobicContact CG-CG 4Å; L89-P127 HydrophobicContact CB-CG 3.69Å; L89-P127 HydrophobicContact CD1-CG 3.8Å; L89-P127 HydrophobicContact CG-CG 4.41Å; H90-P127 WeakPolarHBondContact NE2-CB 3.49Å; R125-P127 VanDerWaalsContact C-CD 3.48Å; R125-P127 VanDerWaalsContact C-N 3.32Å; P127-F200 HydrophobicContact CB-CE1 4.22Å; P127-F200 HydrophobicContact CB-CZ 4.29Å; P127-F200 HydrophobicContact CG-CD1 4.27Å; P127-F200 HydrophobicContact CG-CE1 4.05Å; P127-F200 HydrophobicContact CG-CZ 4.47Å
128	D	96.8	Very high	97	Very high	115 Å²	115	55.2 Å²	55.2	62%	0.615	28%	0.281	S	S	*	.	H	α-helix	trans	-73.2	-31.4	-178.8	-64.1	-58.5	0	0	0	112.1	H90 R125 I126	H90-D128 IonicContact CE1-OD1 3.25Å; H90-D128 PolarHBondContact CE1-OD1 3.4Å; H90-D128 VanDerWaalsContact CE1-OD1 3.25Å; H90-D128 IonicContact CE1-OD2 3.48Å; H90-D128 PolarHBondContact CE1-OD2 2.96Å; H90-D128 IonicContact ND1-OD2 3.59Å; R125-D128 PolarHBondContact O-N 3.04Å; I126-D128 VanDerWaalsContact C-N 3.3Å; I126-D128 PolarHBondContact O-N 2.73Å
129	E	97.3	Very high	97.1	Very high	31 Å²	31	52.5 Å²	52.5	15%	0.145	27%	0.267	C	S	.	.	H	α-helix	trans	-102	-22.3	-168.7	-64.9	173	165	0	0	112.9	R125 I126 G131 D132 T135 F136 T139	R125-E129 HydrophobicContact CB-CG 4.36Å; R125-E129 IonicContact CZ-OE1 3.84Å; R125-E129 IonicContact NE-OE1 3.63Å; R125-E129 IonicContact NE-OE2 3.61Å; R125-E129 IonicContact NH1-OE1 3.9Å; R125-E129 PolarHBondContact O-N 3.38Å; R125-E129 VanDerWaalsContact O-N 3.12Å; I126-E129 PolarHBondContact O-N 3.27Å; E129-G131 PolarHBondContact O-N 2.95Å; E129-G131 VanDerWaalsContact O-N 3.16Å; E129-D132 PolarHBondContact O-N 2.85Å; E129-D132 VanDerWaalsContact O-N 3.1Å; E129-T135 HydrophobicContact CB-CG2 3.95Å; E129-T135 HydrophobicContact CG-CG2 3.71Å; E129-F136 WeakPolarHBondContact O-CB 3.48Å; E129-T139 VanDerWaalsContact CD-OG1 3.3Å; E129-T139 VanDerWaalsContact OE2-CB 3.26Å; E129-T139 WeakPolarHBondContact OE2-CB 3.46Å; E129-T139 WeakPolarHBondContact OE2-CG2 3.45Å; E129-T139 PolarHBondContact OE2-OG1 3.43Å
130	I	97.1	Very high	97.1	Very high	15 Å²	15	54.2 Å²	54.2	8%	0.077	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-26.5	-173.5	-166.6	157.4	0	0	0	114.1	I126 F136 Y190 C196 V199 F200	I126-I130 HydrophobicContact CG2-CB 4.42Å; I126-I130 HydrophobicContact CG2-CD1 4.17Å; I126-I130 WeakPolarHBondContact O-CB 3.44Å; I126-I130 WeakPolarHBondContact O-CG2 3.39Å; I126-I130 PolarHBondContact O-N 3.33Å; I130-F136 HydrophobicContact CB-CD2 4.27Å; I130-F136 HydrophobicContact CB-CE2 4.26Å; I130-F136 HydrophobicContact CB-CZ 4.5Å; I130-F136 HydrophobicContact CD1-CE1 4.31Å; I130-F136 HydrophobicContact CD1-CE2 4.39Å; I130-F136 HydrophobicContact CD1-CZ 3.94Å; I130-F136 HydrophobicContact CG1-CD1 4.25Å; I130-F136 HydrophobicContact CG1-CD2 4.45Å; I130-F136 HydrophobicContact CG1-CE1 3.96Å; I130-F136 HydrophobicContact CG1-CE2 4.18Å; I130-F136 HydrophobicContact CG1-CG 4.5Å; I130-F136 HydrophobicContact CG1-CZ 3.91Å; I130-Y190 HydrophobicContact CD1-CE1 4.19Å; I130-Y190 HydrophobicContact CD1-CE2 4.08Å; I130-Y190 HydrophobicContact CG1-CE1 3.97Å; I130-Y190 HydrophobicContact CG1-CE2 4.26Å; I130-Y190 WeakPolarHBondContact CG1-OH 3.39Å; I130-Y190 PolarHBondContact O-OH 2.8Å; I130-C196 HydrophobicContact CD1-CB 3.71Å; I130-C196 HydrophobicContact CG1-CB 4.46Å; I130-V199 HydrophobicContact CD1-CB 4.12Å; I130-V199 HydrophobicContact CD1-CG1 4.16Å; I130-V199 HydrophobicContact CD1-CG2 4.26Å; I130-F200 HydrophobicContact CD1-CE1 4.04Å; I130-F200 HydrophobicContact CG2-CE1 4.01Å; I130-F200 HydrophobicContact CG2-CZ 4.02Å
131	G	95.3	Very high	97.2	Very high	77 Å²	77	59.9 Å²	59.9	79%	0.794	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-25.3	178.2	0	0	0	0	0	114.1	E129	E129-G131 PolarHBondContact O-N 2.95Å; E129-G131 VanDerWaalsContact O-N 3.16Å
132	D	96.7	Very high	97.4	Very high	81 Å²	81	61 Å²	61	43%	0.433	30%	0.3	S	S	.	.	S	Bend	trans	-102.1	106.8	174.8	177.6	53.4	0	0	0	110.7	E129 R134 T135 F136	E129-D132 PolarHBondContact O-N 2.85Å; E129-D132 VanDerWaalsContact O-N 3.1Å; D132-R134 PolarHBondContact O-N 2.84Å; D132-R134 VanDerWaalsContact O-N 3.12Å; D132-T135 PolarHBondContact O-N 3.22Å; D132-T135 WeakPolarHBondContact OD2-CB 3.31Å; D132-T135 PolarHBondContact OD2-N 3.06Å; D132-T135 PolarHBondContact OD2-OG1 3.18Å; D132-F136 WeakPolarHBondContact O-CB 3.36Å; D132-F136 PolarHBondContact O-N 3.34Å
133	R	95.5	Very high	97.4	Very high	185 Å²	185	61 Å²	61	70%	0.698	30%	0.3	S	S	*	.	H	α-helix	trans	-54.9	-38.5	-174.4	-175.9	174.7	-176.7	153.6	2.8	113	L137	R133-L137 HydrophobicContact CG-CD1 4.29Å; R133-L137 VanDerWaalsContact O-CG 3.25Å; R133-L137 WeakPolarHBondContact O-CG 3.46Å; R133-L137 PolarHBondContact O-N 3.03Å
134	R	97.1	Very high	97.4	Very high	202 Å²	202	63.8 Å²	63.8	76%	0.762	32%	0.323	S	S	*	.	H	α-helix	trans	-69.3	-50.6	-178.2	-177.8	179.8	177.9	177.3	-1.2	110.7	D132 L137 E138	D132-R134 PolarHBondContact O-N 2.84Å; D132-R134 VanDerWaalsContact O-N 3.12Å; R134-L137 PolarHBondContact O-N 3.32Å; R134-E138 PolarHBondContact O-N 2.86Å
135	T	97.8	Very high	97.5	Very high	61 Å²	61	67.4 Å²	67.4	37%	0.374	34%	0.341	S	S	.	.	H	α-helix	trans	-60.9	-46.9	177.9	-57.4	0	0	0	0	110.3	E129 D132 L137 E138 T139	E129-T135 HydrophobicContact CB-CG2 3.95Å; E129-T135 HydrophobicContact CG-CG2 3.71Å; D132-T135 PolarHBondContact O-N 3.22Å; D132-T135 WeakPolarHBondContact OD2-CB 3.31Å; D132-T135 PolarHBondContact OD2-N 3.06Å; D132-T135 PolarHBondContact OD2-OG1 3.18Å; T135-L137 VanDerWaalsContact C-N 3.3Å; T135-L137 PolarHBondContact O-N 3.39Å; T135-E138 WeakPolarHBondContact O-CA 3.48Å; T135-E138 WeakPolarHBondContact O-CB 3.4Å; T135-E138 PolarHBondContact O-N 2.94Å; T135-T139 PolarHBondContact O-N 2.86Å; T135-T139 PolarHBondContact O-OG1 3.41Å
136	F	98.1	Very high	97.6	Very high	2 Å²	2	64 Å²	64	1%	0.009	33%	0.329	C	S	.	.	H	α-helix	trans	-58.9	-38.3	-179.9	-169.9	-136.2	0	0	0	113.6	I126 E129 I130 D132 E138 T139 I140 L187 Y190 F191 V199	I126-F136 HydrophobicContact CG1-CE2 4.45Å; I126-F136 HydrophobicContact CG2-CE2 4.08Å; E129-F136 WeakPolarHBondContact O-CB 3.48Å; I130-F136 HydrophobicContact CB-CD2 4.27Å; I130-F136 HydrophobicContact CB-CE2 4.26Å; I130-F136 HydrophobicContact CB-CZ 4.5Å; I130-F136 HydrophobicContact CD1-CE1 4.31Å; I130-F136 HydrophobicContact CD1-CE2 4.39Å; I130-F136 HydrophobicContact CD1-CZ 3.94Å; I130-F136 HydrophobicContact CG1-CD1 4.25Å; I130-F136 HydrophobicContact CG1-CD2 4.45Å; I130-F136 HydrophobicContact CG1-CE1 3.96Å; I130-F136 HydrophobicContact CG1-CE2 4.18Å; I130-F136 HydrophobicContact CG1-CG 4.5Å; I130-F136 HydrophobicContact CG1-CZ 3.91Å; D132-F136 WeakPolarHBondContact O-CB 3.36Å; D132-F136 PolarHBondContact O-N 3.34Å; F136-E138 VanDerWaalsContact C-N 3.32Å; F136-E138 PolarHBondContact O-N 3.16Å; F136-T139 WeakPolarHBondContact O-CB 3.43Å; F136-T139 PolarHBondContact O-N 3.32Å; F136-I140 HydrophobicContact CD1-CD1 3.99Å; F136-I140 HydrophobicContact CD2-CG1 4.5Å; F136-I140 HydrophobicContact CE1-CD1 3.8Å; F136-I140 HydrophobicContact CE2-CD1 4.39Å; F136-I140 HydrophobicContact CE2-CG1 4.26Å; F136-I140 HydrophobicContact CG-CD1 4.36Å; F136-I140 HydrophobicContact CZ-CD1 4.02Å; F136-I140 HydrophobicContact CZ-CG1 4.28Å; F136-I140 VanDerWaalsContact O-CG1 3.3Å; F136-I140 WeakPolarHBondContact O-CG1 3.29Å; F136-I140 PolarHBondContact O-N 3.35Å; F136-L187 HydrophobicContact CE1-CD2 4.11Å; F136-L187 HydrophobicContact CZ-CD2 3.55Å; F136-Y190 HydrophobicContact CD1-CE1 4.12Å; F136-Y190 AromaticContact CE1-CD1 3.88Å; F136-Y190 HydrophobicContact CE1-CD1 3.88Å; F136-Y190 AromaticContact CE1-CE1 3.56Å; F136-Y190 HydrophobicContact CE1-CE1 3.56Å; F136-Y190 HydrophobicContact CZ-CE1 4.48Å; F136-F191 HydrophobicContact CD1-CE1 4.3Å; F136-F191 AromaticContact CD1-CZ 3.99Å; F136-F191 HydrophobicContact CD1-CZ 3.99Å; F136-F191 HydrophobicContact CE1-CE1 4.4Å; F136-F191 AromaticContact CE1-CZ 3.93Å; F136-F191 HydrophobicContact CE1-CZ 3.93Å; F136-V199 HydrophobicContact CZ-CG1 4.44Å
137	L	97.8	Very high	97.6	Very high	70 Å²	70	64.7 Å²	64.7	37%	0.366	33%	0.333	S	S	.	.	H	α-helix	trans	-65.2	-35.3	175.3	-74.5	172	0	0	0	112.4	R133 R134 T135 I140 K141 F191	R133-L137 HydrophobicContact CG-CD1 4.29Å; R133-L137 VanDerWaalsContact O-CG 3.25Å; R133-L137 WeakPolarHBondContact O-CG 3.46Å; R133-L137 PolarHBondContact O-N 3.03Å; R134-L137 PolarHBondContact O-N 3.32Å; T135-L137 VanDerWaalsContact C-N 3.3Å; T135-L137 PolarHBondContact O-N 3.39Å; L137-I140 HydrophobicContact CD2-CD1 4.47Å; L137-K141 WeakPolarHBondContact O-CG 3.45Å; L137-K141 PolarHBondContact O-N 3.46Å; L137-F191 HydrophobicContact CD2-CZ 4.01Å
138	E	98.3	Very high	97.7	Very high	101 Å²	101	70.1 Å²	70.1	47%	0.472	36%	0.355	S	S	.	.	H	α-helix	trans	-68.8	-40.7	172.3	-63.9	-53.1	133.3	0	0	111.3	R134 T135 F136 I140 K141 E142	R134-E138 PolarHBondContact O-N 2.86Å; T135-E138 WeakPolarHBondContact O-CA 3.48Å; T135-E138 WeakPolarHBondContact O-CB 3.4Å; T135-E138 PolarHBondContact O-N 2.94Å; F136-E138 VanDerWaalsContact C-N 3.32Å; F136-E138 PolarHBondContact O-N 3.16Å; E138-I140 VanDerWaalsContact C-N 3.33Å; E138-I140 PolarHBondContact O-N 3.38Å; E138-K141 WeakPolarHBondContact O-CB 3.35Å; E138-K141 PolarHBondContact O-N 2.96Å; E138-K141 VanDerWaalsContact O-N 3.15Å; E138-K141 IonicContact OE1-NZ 2.66Å; E138-K141 PolarHBondContact OE1-NZ 2.96Å; E138-K141 IonicContact OE2-NZ 2.69Å; E138-E142 PolarHBondContact O-N 3.21Å
139	T	98.2	Very high	97.7	Very high	3 Å²	3	68.6 Å²	68.6	2%	0.018	34%	0.343	C	S	.	.	H	α-helix	trans	-56.8	-45.9	173.1	-45.3	0	0	0	0	111.6	I122 E129 T135 F136 K141 E142 I143	I122-T139 HydrophobicContact CG2-CG2 4.36Å; E129-T139 VanDerWaalsContact CD-OG1 3.3Å; E129-T139 VanDerWaalsContact OE2-CB 3.26Å; E129-T139 WeakPolarHBondContact OE2-CB 3.46Å; E129-T139 WeakPolarHBondContact OE2-CG2 3.45Å; E129-T139 PolarHBondContact OE2-OG1 3.43Å; T135-T139 PolarHBondContact O-N 2.86Å; T135-T139 PolarHBondContact O-OG1 3.41Å; F136-T139 WeakPolarHBondContact O-CB 3.43Å; F136-T139 PolarHBondContact O-N 3.32Å; T139-K141 VanDerWaalsContact C-N 3.33Å; T139-K141 PolarHBondContact O-N 3.45Å; T139-E142 WeakPolarHBondContact O-CB 3.3Å; T139-E142 PolarHBondContact O-N 2.69Å; T139-E142 VanDerWaalsContact O-N 3.13Å; T139-I143 HydrophobicContact CG2-CD1 4.06Å; T139-I143 HydrophobicContact CG2-CG1 4.46Å; T139-I143 VanDerWaalsContact O-CG1 3.28Å; T139-I143 WeakPolarHBondContact O-CG1 3.02Å; T139-I143 PolarHBondContact O-N 2.66Å
140	I	98.3	Very high	97.8	Very high	37 Å²	37	67.3 Å²	67.3	19%	0.19	34%	0.337	C	S	.	.	H	α-helix	trans	-60.2	-43.2	177.6	-69.4	164.9	0	0	0	110.9	F136 L137 E138 E142 I143 A144 L187 F191	F136-I140 HydrophobicContact CD1-CD1 3.99Å; F136-I140 HydrophobicContact CD2-CG1 4.5Å; F136-I140 HydrophobicContact CE1-CD1 3.8Å; F136-I140 HydrophobicContact CE2-CD1 4.39Å; F136-I140 HydrophobicContact CE2-CG1 4.26Å; F136-I140 HydrophobicContact CG-CD1 4.36Å; F136-I140 HydrophobicContact CZ-CD1 4.02Å; F136-I140 HydrophobicContact CZ-CG1 4.28Å; F136-I140 VanDerWaalsContact O-CG1 3.3Å; F136-I140 WeakPolarHBondContact O-CG1 3.29Å; F136-I140 PolarHBondContact O-N 3.35Å; L137-I140 HydrophobicContact CD2-CD1 4.47Å; E138-I140 VanDerWaalsContact C-N 3.33Å; E138-I140 PolarHBondContact O-N 3.38Å; I140-E142 VanDerWaalsContact C-N 3.32Å; I140-E142 PolarHBondContact O-N 2.92Å; I140-I143 PolarHBondContact O-N 3.21Å; I140-A144 WeakPolarHBondContact O-CB 3.38Å; I140-A144 PolarHBondContact O-N 3.15Å; I140-L187 HydrophobicContact CD1-CD1 4.22Å; I140-L187 HydrophobicContact CD1-CD2 4.22Å; I140-L187 HydrophobicContact CG1-CD1 4Å; I140-L187 HydrophobicContact CG1-CD2 4.41Å; I140-L187 HydrophobicContact CG2-CD1 4.24Å; I140-F191 HydrophobicContact CD1-CE2 3.78Å; I140-F191 HydrophobicContact CD1-CZ 3.68Å
141	K	98.1	Very high	97.8	Very high	121 Å²	121	68.2 Å²	68.2	53%	0.526	34%	0.342	S	S	.	.	H	α-helix	trans	-62.3	-41.2	175.2	-67.5	169.7	-170.8	170.3	0	111.4	L137 E138 T139 A144 N145	L137-K141 WeakPolarHBondContact O-CG 3.45Å; L137-K141 PolarHBondContact O-N 3.46Å; E138-K141 WeakPolarHBondContact O-CB 3.35Å; E138-K141 PolarHBondContact O-N 2.96Å; E138-K141 VanDerWaalsContact O-N 3.15Å; E138-K141 IonicContact OE1-NZ 2.66Å; E138-K141 PolarHBondContact OE1-NZ 2.96Å; E138-K141 IonicContact OE2-NZ 2.69Å; T139-K141 VanDerWaalsContact C-N 3.33Å; T139-K141 PolarHBondContact O-N 3.45Å; K141-A144 PolarHBondContact O-N 3.36Å; K141-N145 WeakPolarHBondContact O-CB 3.3Å; K141-N145 PolarHBondContact O-N 3.41Å
142	E	98.4	Very high	97.9	Very high	81 Å²	81	68.2 Å²	68.2	38%	0.379	32%	0.324	S	S	.	.	H	α-helix	trans	-64.8	-43.4	178	-156.1	-175.6	156.6	0	0	111.8	I122 R125 E138 T139 I140 A144 N145 S146	I122-E142 HydrophobicContact CD1-CG 3.78Å; I122-E142 WeakPolarHBondContact CD1-OE1 3.49Å; I122-E142 HydrophobicContact CG1-CG 4.28Å; I122-E142 WeakPolarHBondContact CG1-OE1 3.28Å; I122-E142 HydrophobicContact CG2-CB 4.18Å; I122-E142 HydrophobicContact CG2-CG 4.36Å; R125-E142 IonicContact CZ-OE2 3.73Å; R125-E142 IonicContact NH1-OE2 3.78Å; R125-E142 VanDerWaalsContact NH2-CD 3.27Å; R125-E142 IonicContact NH2-OE1 2.89Å; R125-E142 IonicContact NH2-OE2 3.54Å; R125-E142 PolarHBondContact NH2-OE2 3.42Å; E138-E142 PolarHBondContact O-N 3.21Å; T139-E142 WeakPolarHBondContact O-CB 3.3Å; T139-E142 PolarHBondContact O-N 2.69Å; T139-E142 VanDerWaalsContact O-N 3.13Å; I140-E142 VanDerWaalsContact C-N 3.32Å; I140-E142 PolarHBondContact O-N 2.92Å; E142-A144 PolarHBondContact O-N 3.37Å; E142-N145 PolarHBondContact O-N 3.04Å; E142-S146 VanDerWaalsContact O-CB 3.29Å; E142-S146 WeakPolarHBondContact O-CB 3.21Å; E142-S146 PolarHBondContact O-N 3.01Å
143	I	98.5	Very high	98	Very high	4 Å²	4	64.7 Å²	64.7	2%	0.021	31%	0.306	C	S	.	.	H	α-helix	trans	-57.4	-50.6	173.3	-68.1	165.9	0	0	0	109.9	L119 I122 L123 I126 T139 I140 N145 S146 I147 F183	L119-I143 HydrophobicContact CD1-CG2 4.21Å; I122-I143 HydrophobicContact CB-CG1 4.46Å; I122-I143 HydrophobicContact CG2-CB 4.35Å; I122-I143 HydrophobicContact CG2-CD1 4.36Å; I122-I143 HydrophobicContact CG2-CG1 3.34Å; L123-I143 HydrophobicContact CD2-CD1 3.9Å; L123-I143 HydrophobicContact CD2-CG1 4.16Å; L123-I143 HydrophobicContact CD2-CG2 4.12Å; I126-I143 HydrophobicContact CD1-CD1 3.96Å; I126-I143 HydrophobicContact CG1-CD1 4.2Å; T139-I143 HydrophobicContact CG2-CD1 4.06Å; T139-I143 HydrophobicContact CG2-CG1 4.46Å; T139-I143 VanDerWaalsContact O-CG1 3.28Å; T139-I143 WeakPolarHBondContact O-CG1 3.02Å; T139-I143 PolarHBondContact O-N 2.66Å; I140-I143 PolarHBondContact O-N 3.21Å; I143-N145 VanDerWaalsContact C-N 3.35Å; I143-N145 PolarHBondContact O-N 2.97Å; I143-S146 PolarHBondContact O-N 3.46Å; I143-I147 HydrophobicContact CG2-CD1 3.55Å; I143-I147 HydrophobicContact CG2-CG1 4.23Å; I143-I147 WeakPolarHBondContact O-CB 3.2Å; I143-I147 VanDerWaalsContact O-CG1 3.28Å; I143-I147 WeakPolarHBondContact O-CG1 3.24Å; I143-I147 PolarHBondContact O-N 3.44Å; I143-F183 HydrophobicContact CD1-CE1 4.08Å; I143-F183 HydrophobicContact CD1-CZ 4.05Å; I143-F183 HydrophobicContact CG2-CE1 4.01Å
144	A	98.3	Very high	98	Very high	58 Å²	58	55.9 Å²	55.9	48%	0.479	27%	0.273	S	S	.	.	H	α-helix	trans	-59.7	-44.5	-179.3	0	0	0	0	0	112.1	I140 K141 E142 K148	I140-A144 WeakPolarHBondContact O-CB 3.38Å; I140-A144 PolarHBondContact O-N 3.15Å; K141-A144 PolarHBondContact O-N 3.36Å; E142-A144 PolarHBondContact O-N 3.37Å; A144-K148 PolarHBondContact O-N 2.95Å
145	N	98.5	Very high	98	Very high	77 Å²	77	49.6 Å²	49.6	41%	0.412	25%	0.254	S	S	.	.	H	α-helix	trans	-64	-40.7	175.9	-175.7	45.6	0	0	0	112.1	K141 E142 I143 K148 K149	K141-N145 WeakPolarHBondContact O-CB 3.3Å; K141-N145 PolarHBondContact O-N 3.41Å; E142-N145 PolarHBondContact O-N 3.04Å; I143-N145 VanDerWaalsContact C-N 3.35Å; I143-N145 PolarHBondContact O-N 2.97Å; N145-K148 PolarHBondContact O-N 2.89Å; N145-K149 PolarHBondContact ND2-NZ 3.28Å; N145-K149 WeakPolarHBondContact O-CG 3.32Å; N145-K149 PolarHBondContact O-N 3.28Å
146	S	98.4	Very high	97.9	Very high	6 Å²	6	50 Å²	50	4%	0.042	26%	0.259	C	S	.	.	H	α-helix	trans	-68.7	-40.8	179.2	-169.4	0	0	0	0	112.3	L119 E142 I143 K148 K149 L150	L119-S146 WeakPolarHBondContact CA-OG 3.41Å; L119-S146 WeakPolarHBondContact CB-OG 3.33Å; L119-S146 PolarHBondContact N-OG 3.49Å; E142-S146 VanDerWaalsContact O-CB 3.29Å; E142-S146 WeakPolarHBondContact O-CB 3.21Å; E142-S146 PolarHBondContact O-N 3.01Å; I143-S146 PolarHBondContact O-N 3.46Å; S146-K148 VanDerWaalsContact C-N 3.34Å; S146-K148 PolarHBondContact O-N 3.29Å; S146-K149 PolarHBondContact O-N 3.16Å; S146-L150 WeakPolarHBondContact O-CB 3.44Å; S146-L150 PolarHBondContact O-N 2.86Å
147	I	98.4	Very high	97.8	Very high	15 Å²	15	50.1 Å²	50.1	8%	0.077	26%	0.26	C	S	.	.	H	α-helix	trans	-57.9	-47.1	171.5	-70.9	167.2	0	0	0	110.5	L119 I143 K149 L150 L151 F176 L206	L119-I147 HydrophobicContact CD1-CG1 3.8Å; L119-I147 HydrophobicContact CD2-CG1 3.73Å; L119-I147 HydrophobicContact CG-CG1 4.46Å; I143-I147 HydrophobicContact CG2-CD1 3.55Å; I143-I147 HydrophobicContact CG2-CG1 4.23Å; I143-I147 WeakPolarHBondContact O-CB 3.2Å; I143-I147 VanDerWaalsContact O-CG1 3.28Å; I143-I147 WeakPolarHBondContact O-CG1 3.24Å; I143-I147 PolarHBondContact O-N 3.44Å; I147-K149 PolarHBondContact O-N 2.94Å; I147-L150 PolarHBondContact O-N 2.84Å; I147-L151 HydrophobicContact CG2-CD1 3.99Å; I147-L151 WeakPolarHBondContact O-CG 3.34Å; I147-L151 PolarHBondContact O-N 3.1Å; I147-F176 HydrophobicContact CG1-CZ 4.36Å; I147-F176 HydrophobicContact CG2-CE1 4.17Å; I147-F176 HydrophobicContact CG2-CZ 4.39Å; I147-L206 HydrophobicContact CD1-CD2 4.25Å
148	K	98.4	Very high	97.6	Very high	131 Å²	131	47.6 Å²	47.6	57%	0.57	25%	0.247	S	C	*	.	H	α-helix	trans	-57.8	-51	177.5	-177.1	-179.6	177.2	-178.6	0	111.3	A144 N145 S146 L150 L151 D152	A144-K148 PolarHBondContact O-N 2.95Å; N145-K148 PolarHBondContact O-N 2.89Å; S146-K148 VanDerWaalsContact C-N 3.34Å; S146-K148 PolarHBondContact O-N 3.29Å; K148-L150 VanDerWaalsContact C-N 3.33Å; K148-L150 PolarHBondContact O-N 3.02Å; K148-L151 PolarHBondContact O-N 3.06Å; K148-L151 VanDerWaalsContact O-N 3.16Å; K148-D152 VanDerWaalsContact O-CG 3.25Å; K148-D152 PolarHBondContact O-N 3.08Å
149	K	98.4	Very high	97.4	Very high	82 Å²	82	47.2 Å²	47.2	36%	0.357	25%	0.253	S	S	.	.	H	α-helix	trans	-61	-38.8	179.5	-71.3	174.6	178.3	178.7	0	113	N145 S146 I147 D152 A153	N145-K149 PolarHBondContact ND2-NZ 3.28Å; N145-K149 WeakPolarHBondContact O-CG 3.32Å; N145-K149 PolarHBondContact O-N 3.28Å; S146-K149 PolarHBondContact O-N 3.16Å; I147-K149 PolarHBondContact O-N 2.94Å; K149-D152 PolarHBondContact O-N 2.76Å; K149-A153 PolarHBondContact O-N 3.19Å
150	L	98.1	Very high	97.1	Very high	4 Å²	4	52.9 Å²	52.9	2%	0.021	28%	0.283	C	S	.	.	H	α-helix	trans	-63.9	-45.5	174.5	177	57.6	0	0	0	111.2	V112 R115 A116 L119 S146 I147 K148 D152 A153 I154 F176	V112-L150 HydrophobicContact CG1-CD1 4.15Å; R115-L150 HydrophobicContact CB-CB 4.04Å; R115-L150 HydrophobicContact CB-CD1 3.88Å; A116-L150 HydrophobicContact CB-CD1 4.31Å; L119-L150 HydrophobicContact CD2-CD2 3.83Å; S146-L150 WeakPolarHBondContact O-CB 3.44Å; S146-L150 PolarHBondContact O-N 2.86Å; I147-L150 PolarHBondContact O-N 2.84Å; K148-L150 VanDerWaalsContact C-N 3.33Å; K148-L150 PolarHBondContact O-N 3.02Å; L150-D152 VanDerWaalsContact C-N 3.35Å; L150-D152 PolarHBondContact O-N 2.85Å; L150-A153 PolarHBondContact O-N 3.18Å; L150-I154 HydrophobicContact CD1-CD1 4.06Å; L150-I154 HydrophobicContact CD1-CG1 4.33Å; L150-I154 HydrophobicContact CG-CD1 3.96Å; L150-I154 VanDerWaalsContact O-CG1 3.26Å; L150-I154 WeakPolarHBondContact O-CG1 3.32Å; L150-I154 PolarHBondContact O-N 2.88Å; L150-F176 HydrophobicContact CD2-CE1 4.15Å; L150-F176 HydrophobicContact CD2-CE2 4.19Å; L150-F176 HydrophobicContact CD2-CZ 3.75Å
151	L	98.1	Very high	96.8	Very high	34 Å²	34	52 Å²	52	18%	0.178	28%	0.278	C	S	.	.	H	α-helix	trans	-63.2	-39.9	176.9	-71.1	173.1	0	0	0	112.4	I147 K148 I154 N155 K173 F176 V177	I147-L151 HydrophobicContact CG2-CD1 3.99Å; I147-L151 WeakPolarHBondContact O-CG 3.34Å; I147-L151 PolarHBondContact O-N 3.1Å; K148-L151 PolarHBondContact O-N 3.06Å; K148-L151 VanDerWaalsContact O-N 3.16Å; L151-I154 PolarHBondContact O-N 3.31Å; L151-N155 WeakPolarHBondContact O-CB 3.2Å; L151-N155 PolarHBondContact O-N 3.27Å; L151-N155 PolarHBondContact O-ND2 3.33Å; L151-N155 VanDerWaalsContact O-ND2 3.1Å; L151-K173 HydrophobicContact CD2-CG 4.14Å; L151-F176 HydrophobicContact CD2-CD1 3.86Å; L151-F176 HydrophobicContact CD2-CE1 4.01Å; L151-F176 HydrophobicContact CG-CE1 4.17Å; L151-V177 HydrophobicContact CD1-CG2 4.22Å; L151-V177 HydrophobicContact CD2-CG2 3.82Å
152	D	97.9	Very high	96.5	Very high	77 Å²	77	48.8 Å²	48.8	41%	0.412	27%	0.271	S	S	.	.	H	α-helix	trans	-62.7	-42.7	176.4	-67.4	-21.4	0	0	0	111.2	K148 K149 L150 N155 S156	K148-D152 VanDerWaalsContact O-CG 3.25Å; K148-D152 PolarHBondContact O-N 3.08Å; K149-D152 PolarHBondContact O-N 2.76Å; L150-D152 VanDerWaalsContact C-N 3.35Å; L150-D152 PolarHBondContact O-N 2.85Å; D152-N155 PolarHBondContact O-N 3.37Å; D152-S156 PolarHBondContact O-N 2.85Å; D152-S156 PolarHBondContact O-OG 3.39Å
153	A	97	Very high	96.3	Very high	7 Å²	7	49.9 Å²	49.9	6%	0.058	29%	0.285	C	S	.	.	H	α-helix	trans	-62.6	-42.9	174.1	0	0	0	0	0	112.3	E111 V112 R115 K149 L150 S156 L157	E111-A153 HydrophobicContact CG-CB 3.96Å; V112-A153 HydrophobicContact CG2-CB 3.8Å; R115-A153 HydrophobicContact CG-CB 4.41Å; K149-A153 PolarHBondContact O-N 3.19Å; L150-A153 PolarHBondContact O-N 3.18Å; A153-S156 WeakPolarHBondContact O-CB 3.18Å; A153-S156 PolarHBondContact O-N 3.39Å; A153-L157 PolarHBondContact O-N 3.02Å
154	I	96.4	Very high	96	Very high	1 Å²	1	56 Å²	56	1%	0.005	32%	0.318	C	S	.	.	H	α-helix	trans	-62.7	-43.2	175.5	-66.8	164.9	0	0	0	111	V112 L150 L151 S156 L157 I158 I169 K173 F213	V112-I154 HydrophobicContact CG1-CG1 4.18Å; V112-I154 HydrophobicContact CG2-CG1 4.28Å; L150-I154 HydrophobicContact CD1-CD1 4.06Å; L150-I154 HydrophobicContact CD1-CG1 4.33Å; L150-I154 HydrophobicContact CG-CD1 3.96Å; L150-I154 VanDerWaalsContact O-CG1 3.26Å; L150-I154 WeakPolarHBondContact O-CG1 3.32Å; L150-I154 PolarHBondContact O-N 2.88Å; L151-I154 PolarHBondContact O-N 3.31Å; I154-S156 PolarHBondContact O-N 3.05Å; I154-L157 WeakPolarHBondContact O-CB 3.47Å; I154-L157 PolarHBondContact O-N 3.41Å; I154-L157 VanDerWaalsContact O-N 3.08Å; I154-I158 HydrophobicContact CG2-CD1 4.04Å; I154-I158 HydrophobicContact CG2-CG1 4.44Å; I154-I158 WeakPolarHBondContact O-CG1 3.34Å; I154-I158 PolarHBondContact O-N 2.92Å; I154-I169 HydrophobicContact CG2-CG2 4.23Å; I154-K173 HydrophobicContact CG2-CB 4.28Å; I154-K173 HydrophobicContact CG2-CD 3.91Å; I154-K173 HydrophobicContact CG2-CG 4.31Å; I154-F213 HydrophobicContact CB-CZ 4.29Å; I154-F213 HydrophobicContact CD1-CD1 4.32Å; I154-F213 HydrophobicContact CD1-CE1 3.58Å; I154-F213 HydrophobicContact CD1-CE2 4.01Å; I154-F213 HydrophobicContact CD1-CZ 3.46Å; I154-F213 VanDerWaalsContact CD1-CZ 3.46Å; I154-F213 HydrophobicContact CG1-CE1 3.63Å; I154-F213 HydrophobicContact CG1-CZ 3.57Å; I154-F213 HydrophobicContact CG2-CE2 4.39Å; I154-F213 HydrophobicContact CG2-CZ 3.7Å
155	N	96.7	Very high	95.8	Very high	69 Å²	69	55 Å²	55	37%	0.369	30%	0.304	S	S	.	.	H	α-helix	trans	-63.3	-30.3	176.8	-71.5	-31.9	0	0	0	112.4	L151 D152 P159 K173	L151-N155 WeakPolarHBondContact O-CB 3.2Å; L151-N155 PolarHBondContact O-N 3.27Å; L151-N155 PolarHBondContact O-ND2 3.33Å; L151-N155 VanDerWaalsContact O-ND2 3.1Å; D152-N155 PolarHBondContact O-N 3.37Å; N155-P159 WeakPolarHBondContact O-CD 3.27Å; N155-K173 VanDerWaalsContact OD1-CE 3.26Å; N155-K173 WeakPolarHBondContact OD1-CE 3.43Å; N155-K173 PolarHBondContact OD1-NZ 2.94Å
156	S	96.1	Very high	95.6	Very high	70 Å²	70	54.3 Å²	54.3	49%	0.49	30%	0.299	S	S	.	.	H	α-helix	trans	-76	-27.6	175.3	-54.4	0	0	0	0	111.9	D152 A153 I154	D152-S156 PolarHBondContact O-N 2.85Å; D152-S156 PolarHBondContact O-OG 3.39Å; A153-S156 WeakPolarHBondContact O-CB 3.18Å; A153-S156 PolarHBondContact O-N 3.39Å; I154-S156 PolarHBondContact O-N 3.05Å
157	L	94.8	Very high	95.4	Very high	4 Å²	4	57.9 Å²	57.9	2%	0.021	32%	0.322	C	S	.	.	H	α-helix	trans	-73.9	-45	176.1	179.3	60.1	0	0	0	112.5	V108 V109 V112 A153 I154 L160 L161 I217 I221	V108-L157 HydrophobicContact CG1-CB 3.87Å; V108-L157 HydrophobicContact CG1-CD1 4.28Å; V109-L157 HydrophobicContact CG2-CD1 3.55Å; V112-L157 HydrophobicContact CG2-CB 4.48Å; V112-L157 HydrophobicContact CG2-CD2 4.29Å; A153-L157 PolarHBondContact O-N 3.02Å; I154-L157 WeakPolarHBondContact O-CB 3.47Å; I154-L157 PolarHBondContact O-N 3.41Å; I154-L157 VanDerWaalsContact O-N 3.08Å; L157-L160 WeakPolarHBondContact O-CB 3.32Å; L157-L160 PolarHBondContact O-N 2.85Å; L157-L161 HydrophobicContact CD1-CD2 3.89Å; L157-L161 HydrophobicContact CD1-CG 4.39Å; L157-L161 HydrophobicContact CG-CD1 4.24Å; L157-L161 HydrophobicContact CG-CD2 4.11Å; L157-L161 HydrophobicContact CG-CG 4.22Å; L157-I217 HydrophobicContact CD2-CD1 3.96Å; L157-I221 HydrophobicContact CD2-CD1 4.26Å
158	I	94.4	Very high	95.2	Very high	17 Å²	17	59.9 Å²	59.9	9%	0.087	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-50.7	-47.7	-170.6	-71.3	159.1	0	0	0	113.6	I154 L160 L161 Q166 I169 D170 K173	I154-I158 HydrophobicContact CG2-CD1 4.04Å; I154-I158 HydrophobicContact CG2-CG1 4.44Å; I154-I158 WeakPolarHBondContact O-CG1 3.34Å; I154-I158 PolarHBondContact O-N 2.92Å; I158-L160 PolarHBondContact O-N 3.29Å; I158-L160 VanDerWaalsContact O-N 3.16Å; I158-L161 PolarHBondContact O-N 2.98Å; I158-Q166 HydrophobicContact CG2-CB 4.45Å; I158-Q166 HydrophobicContact CG2-CG 4.22Å; I158-Q166 WeakPolarHBondContact O-CG 3.38Å; I158-I169 HydrophobicContact CG1-CG2 3.93Å; I158-D170 VanDerWaalsContact CD1-OD1 3.26Å; I158-D170 WeakPolarHBondContact CD1-OD1 3.35Å; I158-K173 HydrophobicContact CD1-CD 4.02Å
159	P	93.7	Very high	95.1	Very high	94 Å²	94	53.7 Å²	53.7	61%	0.61	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-64.6	-18.7	179.6	-22.8	34.3	0	0	0	114.7	N155	N155-P159 WeakPolarHBondContact O-CD 3.27Å
160	L	92.6	Very high	94.9	Very high	122 Å²	122	52 Å²	52	64%	0.639	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-88.7	-8.5	-178.9	-55.2	178	0	0	0	112.7	V108 L157 I158	V108-L160 HydrophobicContact CB-CD1 4.11Å; V108-L160 HydrophobicContact CG1-CD1 4.32Å; V108-L160 HydrophobicContact CG2-CD1 3.78Å; L157-L160 WeakPolarHBondContact O-CB 3.32Å; L157-L160 PolarHBondContact O-N 2.85Å; I158-L160 PolarHBondContact O-N 3.29Å; I158-L160 VanDerWaalsContact O-N 3.16Å
161	L	92.3	Very high	94.8	Very high	17 Å²	17	55.3 Å²	55.3	9%	0.089	32%	0.318	C	S	.	.	S	Bend	trans	-86.5	153.6	-178.4	-58.4	177.4	0	0	0	111.5	L157 I158 L165 Q166 I169 I221	L157-L161 HydrophobicContact CD1-CD2 3.89Å; L157-L161 HydrophobicContact CD1-CG 4.39Å; L157-L161 HydrophobicContact CG-CD1 4.24Å; L157-L161 HydrophobicContact CG-CD2 4.11Å; L157-L161 HydrophobicContact CG-CG 4.22Å; I158-L161 PolarHBondContact O-N 2.98Å; L161-L165 HydrophobicContact CB-CB 4.17Å; L161-Q166 HydrophobicContact CB-CG 4.06Å; L161-Q166 PolarHBondContact O-NE2 3.29Å; L161-Q166 VanDerWaalsContact O-NE2 3.16Å; L161-I169 HydrophobicContact CD1-CB 3.96Å; L161-I169 HydrophobicContact CD1-CG1 3.49Å; L161-I169 VanDerWaalsContact CD1-CG1 3.49Å; L161-I169 HydrophobicContact CD1-CG2 4.28Å; L161-I221 HydrophobicContact CD1-CD1 4.18Å; L161-I221 HydrophobicContact CD2-CD1 3.5Å; L161-I221 HydrophobicContact CD2-CG1 3.86Å; L161-I221 HydrophobicContact CD2-CG2 4.27Å
162	S	92.1	Very high	94.6	Very high	55 Å²	55	57.1 Å²	57.1	39%	0.385	32%	0.322	S	S	.	.			trans	-58.8	148	168.3	59.1	0	0	0	0	110.7	D164 L165 Q166	S162-D164 PolarHBondContact O-N 3.26Å; S162-D164 VanDerWaalsContact O-N 3.07Å; S162-L165 PolarHBondContact O-N 2.75Å; S162-L165 WeakPolarHBondContact OG-CD1 3.48Å; S162-L165 VanDerWaalsContact OG-CG 3.31Å; S162-L165 WeakPolarHBondContact OG-CG 3.42Å; S162-Q166 PolarHBondContact O-N 2.88Å
163	P	93	Very high	94.5	Very high	103 Å²	103	55.6 Å²	55.6	67%	0.669	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-32.6	-177.5	-29.2	36.1	0	0	0	114.5	L165 P167	P163-L165 VanDerWaalsContact C-N 3.32Å; P163-L165 PolarHBondContact O-N 3.38Å; P163-P167 WeakPolarHBondContact O-CD 3.4Å
164	D	93.3	Very high	94.5	Very high	134 Å²	134	63 Å²	63	72%	0.717	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-25.8	179.3	-55.1	-43.5	0	0	0	113.2	S162	S162-D164 PolarHBondContact O-N 3.26Å; S162-D164 VanDerWaalsContact O-N 3.07Å
165	L	93.4	Very high	94.4	Very high	35 Å²	35	64.9 Å²	64.9	18%	0.183	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-27.3	-178.4	-68.4	-179.5	0	0	0	113.1	L161 S162 P163 V168 I169 K220 I221	L161-L165 HydrophobicContact CB-CB 4.17Å; S162-L165 PolarHBondContact O-N 2.75Å; S162-L165 WeakPolarHBondContact OG-CD1 3.48Å; S162-L165 VanDerWaalsContact OG-CG 3.31Å; S162-L165 WeakPolarHBondContact OG-CG 3.42Å; P163-L165 VanDerWaalsContact C-N 3.32Å; P163-L165 PolarHBondContact O-N 3.38Å; L165-V168 WeakPolarHBondContact O-CB 3.46Å; L165-V168 PolarHBondContact O-N 2.86Å; L165-V168 VanDerWaalsContact O-N 3.14Å; L165-I169 PolarHBondContact O-N 3.46Å; L165-K220 WeakPolarHBondContact CD1-O 3.46Å; L165-K220 HydrophobicContact CD2-CB 3.88Å; L165-I221 HydrophobicContact CD1-CG1 4.11Å
166	Q	94.1	Very high	94.4	Very high	64 Å²	64	61.8 Å²	61.8	30%	0.299	33%	0.33	S	S	.	.	H	α-helix	trans	-51.6	-51.3	177.8	-66.7	-173.9	19.5	0	0	113.5	I158 L161 S162 V168 I169 D170	I158-Q166 HydrophobicContact CG2-CB 4.45Å; I158-Q166 HydrophobicContact CG2-CG 4.22Å; I158-Q166 WeakPolarHBondContact O-CG 3.38Å; L161-Q166 HydrophobicContact CB-CG 4.06Å; L161-Q166 PolarHBondContact O-NE2 3.29Å; L161-Q166 VanDerWaalsContact O-NE2 3.16Å; S162-Q166 PolarHBondContact O-N 2.88Å; Q166-V168 VanDerWaalsContact C-N 3.27Å; Q166-V168 PolarHBondContact O-N 3.22Å; Q166-I169 PolarHBondContact O-N 3.36Å; Q166-D170 WeakPolarHBondContact O-CB 3Å; Q166-D170 PolarHBondContact O-N 2.76Å
167	P	95.1	Very high	94.4	Very high	80 Å²	80	60.5 Å²	60.5	52%	0.519	32%	0.319	S	S	.	.	H	α-helix	trans	-64.1	-31.3	180	25.1	-34.8	0	0	0	112.9	P163 Q171	P163-P167 WeakPolarHBondContact O-CD 3.4Å; P167-Q171 VanDerWaalsContact O-CB 3.32Å; P167-Q171 WeakPolarHBondContact O-CB 3.3Å; P167-Q171 PolarHBondContact O-N 3.17Å
168	V	94.3	Very high	94.5	Very high	57 Å²	57	66.3 Å²	66.3	35%	0.345	35%	0.345	S	S	.	.	H	α-helix	trans	-66.4	-48.4	177.9	-179.8	0	0	0	0	110.4	L165 Q166 Q171 R172 V216	L165-V168 WeakPolarHBondContact O-CB 3.46Å; L165-V168 PolarHBondContact O-N 2.86Å; L165-V168 VanDerWaalsContact O-N 3.14Å; Q166-V168 VanDerWaalsContact C-N 3.27Å; Q166-V168 PolarHBondContact O-N 3.22Å; V168-Q171 PolarHBondContact O-N 3.28Å; V168-R172 WeakPolarHBondContact O-CG 3.28Å; V168-R172 PolarHBondContact O-N 3.18Å; V168-R172 VanDerWaalsContact O-N 3.14Å; V168-V216 HydrophobicContact CG1-CG1 3.85Å
169	I	95	Very high	94.6	Very high	2 Å²	2	66.9 Å²	66.9	1%	0.01	35%	0.346	C	S	.	.	H	α-helix	trans	-68.7	-40.9	179.1	-63.4	-53.7	0	0	0	111.2	I154 I158 L161 L165 Q166 Q171 R172 K173 F213 V216 I217 I221	I154-I169 HydrophobicContact CG2-CG2 4.23Å; I158-I169 HydrophobicContact CG1-CG2 3.93Å; L161-I169 HydrophobicContact CD1-CB 3.96Å; L161-I169 HydrophobicContact CD1-CG1 3.49Å; L161-I169 VanDerWaalsContact CD1-CG1 3.49Å; L161-I169 HydrophobicContact CD1-CG2 4.28Å; L165-I169 PolarHBondContact O-N 3.46Å; Q166-I169 PolarHBondContact O-N 3.36Å; I169-Q171 VanDerWaalsContact C-N 3.34Å; I169-Q171 PolarHBondContact O-N 3.28Å; I169-R172 PolarHBondContact O-N 3.24Å; I169-K173 WeakPolarHBondContact O-CB 3.46Å; I169-K173 PolarHBondContact O-N 2.89Å; I169-F213 HydrophobicContact CG2-CE2 4.33Å; I169-F213 HydrophobicContact CG2-CZ 3.93Å; I169-V216 HydrophobicContact CD1-CG1 4.05Å; I169-I217 HydrophobicContact CD1-CG1 3.92Å; I169-I221 HydrophobicContact CD1-CD1 4.06Å; I169-I221 HydrophobicContact CG1-CD1 4.23Å
170	D	95.2	Very high	94.8	Very high	45 Å²	45	63.1 Å²	63.1	24%	0.241	32%	0.322	C	S	.	.	H	α-helix	trans	-62.5	-39.8	175.4	-97	-33.6	0	0	0	112.3	I158 Q166 K173 R174	I158-D170 VanDerWaalsContact CD1-OD1 3.26Å; I158-D170 WeakPolarHBondContact CD1-OD1 3.35Å; Q166-D170 WeakPolarHBondContact O-CB 3Å; Q166-D170 PolarHBondContact O-N 2.76Å; D170-K173 WeakPolarHBondContact O-CB 3.29Å; D170-K173 PolarHBondContact O-N 2.94Å; D170-K173 IonicContact OD1-NZ 3.6Å; D170-R174 WeakPolarHBondContact O-CG 3.41Å; D170-R174 PolarHBondContact O-N 3.23Å
171	Q	94.9	Very high	95.1	Very high	75 Å²	75	63.8 Å²	63.8	35%	0.35	32%	0.32	S	S	.	.	H	α-helix	trans	-63.2	-43.7	175.8	-177.7	56.9	29.3	0	0	111.5	P167 V168 I169 K173 R174 E175	P167-Q171 VanDerWaalsContact O-CB 3.32Å; P167-Q171 WeakPolarHBondContact O-CB 3.3Å; P167-Q171 PolarHBondContact O-N 3.17Å; V168-Q171 PolarHBondContact O-N 3.28Å; I169-Q171 VanDerWaalsContact C-N 3.34Å; I169-Q171 PolarHBondContact O-N 3.28Å; Q171-K173 VanDerWaalsContact C-N 3.33Å; Q171-K173 PolarHBondContact O-N 3.01Å; Q171-R174 PolarHBondContact O-N 3.15Å; Q171-E175 PolarHBondContact NE2-OE1 3.37Å; Q171-E175 PolarHBondContact O-N 2.93Å; Q171-E175 VanDerWaalsContact O-N 3.1Å
172	R	94.1	Very high	95.3	Very high	71 Å²	71	68 Å²	68	27%	0.268	34%	0.335	S	S	.	.	H	α-helix	trans	-65	-37.8	176.8	-69.4	-61.8	95.9	-171	7.8	112.1	V168 I169 E175 F176 F213 V216	V168-R172 WeakPolarHBondContact O-CG 3.28Å; V168-R172 PolarHBondContact O-N 3.18Å; V168-R172 VanDerWaalsContact O-N 3.14Å; I169-R172 PolarHBondContact O-N 3.24Å; R172-E175 PolarHBondContact O-N 3.31Å; R172-F176 PolarHBondContact O-N 3.4Å; R172-F213 HydrophobicContact CB-CD2 3.47Å; R172-F213 VanDerWaalsContact CB-CD2 3.47Å; R172-F213 HydrophobicContact CB-CE2 3.74Å; R172-F213 HydrophobicContact CB-CG 4.5Å; R172-V216 HydrophobicContact CG-CB 4.44Å; R172-V216 HydrophobicContact CG-CG1 4.3Å; R172-V216 HydrophobicContact CG-CG2 4.2Å
173	K	96.2	Very high	95.5	Very high	45 Å²	45	65.6 Å²	65.6	20%	0.196	32%	0.317	C	S	.	.	H	α-helix	trans	-61.4	-42.6	173.2	171.8	-174.9	154	-163.6	0	111.5	L151 I154 N155 I158 I169 D170 Q171 F176 V177 F213	L151-K173 HydrophobicContact CD2-CG 4.14Å; I154-K173 HydrophobicContact CG2-CB 4.28Å; I154-K173 HydrophobicContact CG2-CD 3.91Å; I154-K173 HydrophobicContact CG2-CG 4.31Å; N155-K173 VanDerWaalsContact OD1-CE 3.26Å; N155-K173 WeakPolarHBondContact OD1-CE 3.43Å; N155-K173 PolarHBondContact OD1-NZ 2.94Å; I158-K173 HydrophobicContact CD1-CD 4.02Å; I169-K173 WeakPolarHBondContact O-CB 3.46Å; I169-K173 PolarHBondContact O-N 2.89Å; D170-K173 WeakPolarHBondContact O-CB 3.29Å; D170-K173 PolarHBondContact O-N 2.94Å; D170-K173 IonicContact OD1-NZ 3.6Å; Q171-K173 VanDerWaalsContact C-N 3.33Å; Q171-K173 PolarHBondContact O-N 3.01Å; K173-F176 PolarHBondContact O-N 3.06Å; K173-V177 WeakPolarHBondContact O-CG2 3.42Å; K173-V177 PolarHBondContact O-N 3.12Å; K173-F213 HydrophobicContact CB-CE2 4.2Å
174	R	96.5	Very high	95.8	Very high	163 Å²	163	63.2 Å²	63.2	62%	0.615	30%	0.303	S	S	*	.	H	α-helix	trans	-61.6	-43.7	176.3	-71.8	173.8	-167.1	-176.8	3.6	112	D170 Q171 V177 K178	D170-R174 WeakPolarHBondContact O-CG 3.41Å; D170-R174 PolarHBondContact O-N 3.23Å; Q171-R174 PolarHBondContact O-N 3.15Å; R174-V177 PolarHBondContact O-N 3.48Å; R174-K178 PolarHBondContact O-N 2.83Å
175	E	94.8	Very high	96	Very high	41 Å²	41	60.8 Å²	60.8	19%	0.192	29%	0.29	C	S	.	.	H	α-helix	trans	-61.8	-47.5	174.5	-69.6	-52.6	130.8	0	0	111.3	Q171 R172 V177 K178 Y179	Q171-E175 PolarHBondContact NE2-OE1 3.37Å; Q171-E175 PolarHBondContact O-N 2.93Å; Q171-E175 VanDerWaalsContact O-N 3.1Å; R172-E175 PolarHBondContact O-N 3.31Å; E175-V177 VanDerWaalsContact C-N 3.31Å; E175-V177 PolarHBondContact O-N 2.96Å; E175-K178 WeakPolarHBondContact O-CB 3.38Å; E175-K178 PolarHBondContact O-N 3.13Å; E175-K178 IonicContact OE2-NZ 3.88Å; E175-Y179 WeakPolarHBondContact O-CD2 3.26Å; E175-Y179 PolarHBondContact O-N 3.5Å
176	F	96.1	Very high	96.2	Very high	3 Å²	3	60.1 Å²	60.1	1%	0.013	29%	0.287	C	S	.	.	H	α-helix	trans	-56.1	-44.5	175.8	174.2	-102.3	0	0	0	112.4	L119 I147 L150 L151 R172 K173 K178 Y179 S180 L206 Q209 I210	L119-F176 HydrophobicContact CD2-CE2 4.04Å; L119-F176 HydrophobicContact CD2-CZ 3.66Å; I147-F176 HydrophobicContact CG1-CZ 4.36Å; I147-F176 HydrophobicContact CG2-CE1 4.17Å; I147-F176 HydrophobicContact CG2-CZ 4.39Å; L150-F176 HydrophobicContact CD2-CE1 4.15Å; L150-F176 HydrophobicContact CD2-CE2 4.19Å; L150-F176 HydrophobicContact CD2-CZ 3.75Å; L151-F176 HydrophobicContact CD2-CD1 3.86Å; L151-F176 HydrophobicContact CD2-CE1 4.01Å; L151-F176 HydrophobicContact CG-CE1 4.17Å; R172-F176 PolarHBondContact O-N 3.4Å; K173-F176 PolarHBondContact O-N 3.06Å; F176-K178 VanDerWaalsContact C-N 3.34Å; F176-K178 PolarHBondContact O-N 3.42Å; F176-Y179 PolarHBondContact O-N 3.38Å; F176-S180 WeakPolarHBondContact O-CB 3.43Å; F176-S180 PolarHBondContact O-N 3.39Å; F176-L206 HydrophobicContact CD2-CD1 3.89Å; F176-L206 HydrophobicContact CE2-CD1 3.52Å; F176-L206 HydrophobicContact CE2-CG 4.33Å; F176-L206 HydrophobicContact CZ-CD1 4.26Å; F176-Q209 HydrophobicContact CD2-CB 4.06Å; F176-I210 HydrophobicContact CD2-CG1 4.22Å; F176-I210 HydrophobicContact CE2-CD1 4.35Å; F176-I210 HydrophobicContact CE2-CG1 3.66Å
177	V	97.6	Very high	96.4	Very high	43 Å²	43	57.7 Å²	57.7	26%	0.261	28%	0.276	S	S	.	.	H	α-helix	trans	-62.5	-39	176	170.8	0	0	0	0	112	L151 K173 R174 E175 S180 K181	L151-V177 HydrophobicContact CD1-CG2 4.22Å; L151-V177 HydrophobicContact CD2-CG2 3.82Å; K173-V177 WeakPolarHBondContact O-CG2 3.42Å; K173-V177 PolarHBondContact O-N 3.12Å; R174-V177 PolarHBondContact O-N 3.48Å; E175-V177 VanDerWaalsContact C-N 3.31Å; E175-V177 PolarHBondContact O-N 2.96Å; V177-S180 PolarHBondContact O-N 3.38Å; V177-K181 HydrophobicContact CG1-CD 4.42Å; V177-K181 WeakPolarHBondContact O-CG 3.27Å; V177-K181 PolarHBondContact O-N 3.47Å
178	K	96.6	Very high	96.5	Very high	127 Å²	127	59.6 Å²	59.6	55%	0.552	28%	0.276	S	S	*	.	H	α-helix	trans	-60.8	-46.9	176.4	176.4	-174.4	171.3	-170.1	0	111.3	R174 E175 F176 K181 R182	R174-K178 PolarHBondContact O-N 2.83Å; E175-K178 WeakPolarHBondContact O-CB 3.38Å; E175-K178 PolarHBondContact O-N 3.13Å; E175-K178 IonicContact OE2-NZ 3.88Å; F176-K178 VanDerWaalsContact C-N 3.34Å; F176-K178 PolarHBondContact O-N 3.42Å; K178-K181 PolarHBondContact O-N 3.36Å; K178-R182 PolarHBondContact O-N 2.98Å
179	Y	96	Very high	96.6	Very high	28 Å²	28	59.9 Å²	59.9	11%	0.11	27%	0.274	C	S	.	.	H	α-helix	trans	-69.5	-35.8	178.1	-81.8	-96.7	0	0	0	112.7	E175 F176 K181 R182 F183 H205 Q209	E175-Y179 WeakPolarHBondContact O-CD2 3.26Å; E175-Y179 PolarHBondContact O-N 3.5Å; F176-Y179 PolarHBondContact O-N 3.38Å; Y179-K181 VanDerWaalsContact C-N 3.32Å; Y179-K181 PolarHBondContact O-N 3.39Å; Y179-R182 PolarHBondContact O-N 3.21Å; Y179-F183 WeakPolarHBondContact O-CB 3.4Å; Y179-F183 PolarHBondContact O-N 3.01Å; Y179-H205 HydrophobicContact CD1-CB 3.77Å; Y179-H205 HydrophobicContact CE1-CB 3.86Å; Y179-H205 AromaticContact CE1-ND1 3.92Å; Y179-Q209 HydrophobicContact CD1-CG 4.07Å; Y179-Q209 HydrophobicContact CD2-CG 3.49Å; Y179-Q209 VanDerWaalsContact CD2-CG 3.49Å; Y179-Q209 HydrophobicContact CE2-CG 4.04Å; Y179-Q209 HydrophobicContact CG-CG 3.49Å; Y179-Q209 VanDerWaalsContact CG-CG 3.49Å
180	S	97.9	Very high	96.7	Very high	15 Å²	15	62.3 Å²	62.3	11%	0.105	28%	0.283	C	S	.	.	H	α-helix	trans	-60.3	-40.5	172	171.9	0	0	0	0	112.4	F176 V177 S184	F176-S180 WeakPolarHBondContact O-CB 3.43Å; F176-S180 PolarHBondContact O-N 3.39Å; V177-S180 PolarHBondContact O-N 3.38Å; S180-S184 PolarHBondContact O-N 2.9Å; S180-S184 PolarHBondContact O-OG 3.15Å
181	K	97.7	Very high	96.8	Very high	136 Å²	136	64.7 Å²	64.7	59%	0.591	29%	0.292	S	S	*	.	H	α-helix	trans	-66.9	-42.5	173.3	-73.2	178.3	-179.3	-178.2	0	112.2	V177 K178 Y179 F183 S184 N185	V177-K181 HydrophobicContact CG1-CD 4.42Å; V177-K181 WeakPolarHBondContact O-CG 3.27Å; V177-K181 PolarHBondContact O-N 3.47Å; K178-K181 PolarHBondContact O-N 3.36Å; Y179-K181 VanDerWaalsContact C-N 3.32Å; Y179-K181 PolarHBondContact O-N 3.39Å; K181-F183 VanDerWaalsContact C-N 3.35Å; K181-S184 WeakPolarHBondContact O-CB 3.45Å; K181-S184 PolarHBondContact O-N 2.7Å; K181-N185 PolarHBondContact O-N 3.17Å
182	R	96.7	Very high	96.9	Very high	107 Å²	107	68.2 Å²	68.2	40%	0.404	31%	0.306	S	S	.	.	H	α-helix	trans	-56.9	-49.3	174.7	-175.5	178.1	178.2	-176.3	-1.5	110.5	E21 K178 Y179 S184 N185 T186	E21-R182 IonicContact OE1-NH1 3.44Å; K178-R182 PolarHBondContact O-N 2.98Å; Y179-R182 PolarHBondContact O-N 3.21Å; R182-S184 VanDerWaalsContact C-N 3.34Å; R182-S184 PolarHBondContact O-N 3.2Å; R182-N185 WeakPolarHBondContact O-CB 3.42Å; R182-N185 PolarHBondContact O-N 3.18Å; R182-T186 PolarHBondContact O-N 2.94Å; R182-T186 PolarHBondContact O-OG1 3.46Å
183	F	98	Very high	96.9	Very high	4 Å²	4	68.1 Å²	68.1	2%	0.018	33%	0.326	C	S	.	.	H	α-helix	trans	-56.8	-45.4	175.4	177.4	-107.7	0	0	0	112.6	L123 I126 I143 Y179 K181 N185 T186 L187 V199 S202 A203 L206	L123-F183 HydrophobicContact CD2-CE1 4.3Å; L123-F183 HydrophobicContact CD2-CZ 4.17Å; I126-F183 HydrophobicContact CD1-CE2 3.93Å; I126-F183 HydrophobicContact CD1-CZ 3.68Å; I143-F183 HydrophobicContact CD1-CE1 4.08Å; I143-F183 HydrophobicContact CD1-CZ 4.05Å; I143-F183 HydrophobicContact CG2-CE1 4.01Å; Y179-F183 WeakPolarHBondContact O-CB 3.4Å; Y179-F183 PolarHBondContact O-N 3.01Å; K181-F183 VanDerWaalsContact C-N 3.35Å; F183-N185 VanDerWaalsContact C-N 3.28Å; F183-N185 PolarHBondContact O-N 2.76Å; F183-T186 PolarHBondContact O-N 3.37Å; F183-L187 HydrophobicContact CD1-CD1 4.1Å; F183-L187 HydrophobicContact CE1-CD1 3.57Å; F183-L187 HydrophobicContact CE1-CG 4.18Å; F183-L187 HydrophobicContact CE2-CD2 4.41Å; F183-L187 HydrophobicContact CE2-CG 4.38Å; F183-L187 HydrophobicContact CZ-CD1 3.86Å; F183-L187 HydrophobicContact CZ-CD2 4.11Å; F183-L187 HydrophobicContact CZ-CG 4.07Å; F183-L187 WeakPolarHBondContact O-CG 3.43Å; F183-L187 PolarHBondContact O-N 3.18Å; F183-V199 HydrophobicContact CE2-CG1 3.96Å; F183-S202 WeakPolarHBondContact CA-OG 3.23Å; F183-S202 PolarHBondContact N-OG 2.78Å; F183-A203 HydrophobicContact CD2-CB 4.37Å; F183-A203 HydrophobicContact CE2-CB 3.92Å; F183-L206 HydrophobicContact CB-CD2 4.35Å; F183-L206 HydrophobicContact CD1-CD2 4.23Å; F183-L206 HydrophobicContact CG-CD2 4.3Å
184	S	97.9	Very high	96.8	Very high	53 Å²	53	70.3 Å²	70.3	37%	0.371	34%	0.337	S	S	.	.	H	α-helix	trans	-61.6	-35.4	176.5	-58.2	0	0	0	0	112.9	S180 K181 R182 K188	S180-S184 PolarHBondContact O-N 2.9Å; S180-S184 PolarHBondContact O-OG 3.15Å; K181-S184 WeakPolarHBondContact O-CB 3.45Å; K181-S184 PolarHBondContact O-N 2.7Å; R182-S184 VanDerWaalsContact C-N 3.34Å; R182-S184 PolarHBondContact O-N 3.2Å; S184-K188 WeakPolarHBondContact O-CG 3.4Å; S184-K188 PolarHBondContact O-N 3.36Å
185	N	97.7	Very high	96.7	Very high	83 Å²	83	65.9 Å²	65.9	44%	0.444	33%	0.331	S	S	.	.	H	α-helix	trans	-72.6	-42	175	-71.2	-20	0	0	0	111.5	K181 R182 F183 L187 K188 E189	K181-N185 PolarHBondContact O-N 3.17Å; R182-N185 WeakPolarHBondContact O-CB 3.42Å; R182-N185 PolarHBondContact O-N 3.18Å; F183-N185 VanDerWaalsContact C-N 3.28Å; F183-N185 PolarHBondContact O-N 2.76Å; N185-L187 VanDerWaalsContact C-N 3.27Å; N185-L187 PolarHBondContact O-N 3.2Å; N185-K188 WeakPolarHBondContact O-CA 3.34Å; N185-K188 WeakPolarHBondContact O-CB 3.28Å; N185-K188 PolarHBondContact O-N 3.02Å; N185-K188 PolarHBondContact OD1-NZ 3.28Å; N185-E189 PolarHBondContact O-N 3.43Å
186	T	97.8	Very high	96.7	Very high	21 Å²	21	66.1 Å²	66.1	13%	0.129	34%	0.337	C	S	.	.	H	α-helix	trans	-57.7	-39.4	174.1	-59	0	0	0	0	111.9	R182 F183 K188 E189 Y190 T198 V199	R182-T186 PolarHBondContact O-N 2.94Å; R182-T186 PolarHBondContact O-OG1 3.46Å; F183-T186 PolarHBondContact O-N 3.37Å; T186-K188 VanDerWaalsContact C-N 3.3Å; T186-K188 PolarHBondContact O-N 3.2Å; T186-E189 PolarHBondContact O-N 3.31Å; T186-Y190 WeakPolarHBondContact O-CB 3.42Å; T186-Y190 PolarHBondContact O-N 2.99Å; T186-T198 WeakPolarHBondContact CG2-O 3.39Å; T186-V199 HydrophobicContact CG2-CG2 4.16Å
187	L	98	Very high	96.7	Very high	13 Å²	13	69.1 Å²	69.1	7%	0.068	35%	0.352	C	S	.	.	H	α-helix	trans	-60.4	-39.1	172.5	-71.5	174.7	0	0	0	112.6	F136 I140 F183 N185 Y190 F191 V199	F136-L187 HydrophobicContact CE1-CD2 4.11Å; F136-L187 HydrophobicContact CZ-CD2 3.55Å; I140-L187 HydrophobicContact CD1-CD1 4.22Å; I140-L187 HydrophobicContact CD1-CD2 4.22Å; I140-L187 HydrophobicContact CG1-CD1 4Å; I140-L187 HydrophobicContact CG1-CD2 4.41Å; I140-L187 HydrophobicContact CG2-CD1 4.24Å; F183-L187 HydrophobicContact CD1-CD1 4.1Å; F183-L187 HydrophobicContact CE1-CD1 3.57Å; F183-L187 HydrophobicContact CE1-CG 4.18Å; F183-L187 HydrophobicContact CE2-CD2 4.41Å; F183-L187 HydrophobicContact CE2-CG 4.38Å; F183-L187 HydrophobicContact CZ-CD1 3.86Å; F183-L187 HydrophobicContact CZ-CD2 4.11Å; F183-L187 HydrophobicContact CZ-CG 4.07Å; F183-L187 WeakPolarHBondContact O-CG 3.43Å; F183-L187 PolarHBondContact O-N 3.18Å; N185-L187 VanDerWaalsContact C-N 3.27Å; N185-L187 PolarHBondContact O-N 3.2Å; L187-Y190 PolarHBondContact O-N 3.04Å; L187-F191 WeakPolarHBondContact O-CD2 2.97Å; L187-F191 PolarHBondContact O-N 3.41Å; L187-V199 HydrophobicContact CD2-CG1 3.81Å; L187-V199 HydrophobicContact CD2-CG2 4.47Å
188	K	96.8	Very high	96.5	Very high	119 Å²	119	69.4 Å²	69.4	52%	0.517	35%	0.353	S	S	.	.	H	α-helix	trans	-65.1	-42.2	176.9	-66.3	171.1	-173.4	167.1	0	111.3	S184 N185 T186 F191 K192	S184-K188 WeakPolarHBondContact O-CG 3.4Å; S184-K188 PolarHBondContact O-N 3.36Å; N185-K188 WeakPolarHBondContact O-CA 3.34Å; N185-K188 WeakPolarHBondContact O-CB 3.28Å; N185-K188 PolarHBondContact O-N 3.02Å; N185-K188 PolarHBondContact OD1-NZ 3.28Å; T186-K188 VanDerWaalsContact C-N 3.3Å; T186-K188 PolarHBondContact O-N 3.2Å; K188-F191 PolarHBondContact O-N 3.45Å; K188-K192 WeakPolarHBondContact O-CG 3.41Å; K188-K192 PolarHBondContact O-N 3Å
189	E	97.7	Very high	96.6	Very high	63 Å²	63	63.4 Å²	63.4	29%	0.294	33%	0.327	S	S	.	.	H	α-helix	trans	-70.1	-37.2	178.2	-55.3	-48.1	130.1	0	0	111.9	N185 T186 F191 K192 G193 E194	N185-E189 PolarHBondContact O-N 3.43Å; T186-E189 PolarHBondContact O-N 3.31Å; E189-F191 VanDerWaalsContact C-N 3.33Å; E189-F191 PolarHBondContact O-N 3.28Å; E189-K192 CarbonylContact O-C 3.54Å; E189-K192 WeakPolarHBondContact O-CA 3.47Å; E189-K192 WeakPolarHBondContact O-CB 3.48Å; E189-K192 PolarHBondContact O-N 3.34Å; E189-K192 IonicContact OE1-NZ 3.27Å; E189-K192 PolarHBondContact OE1-NZ 3.05Å; E189-K192 WeakPolarHBondContact OE2-CD 3.48Å; E189-K192 IonicContact OE2-NZ 3.47Å; E189-K192 PolarHBondContact OE2-NZ 3.3Å; E189-G193 PolarHBondContact O-N 3.5Å; E189-E194 HydrophobicContact CB-CB 4.34Å; E189-E194 HydrophobicContact CB-CG 3.83Å; E189-E194 WeakPolarHBondContact CB-OE2 3.26Å; E189-E194 PolarHBondContact O-N 3.35Å; E189-E194 VanDerWaalsContact O-N 3.12Å
190	Y	97.6	Very high	96.5	Very high	53 Å²	53	62.4 Å²	62.4	21%	0.208	32%	0.323	C	S	.	.	H	α-helix	trans	-55.3	-46.8	169.8	170.7	-106.6	0	0	0	112	I130 F136 T186 L187 K192 G193 E194 C196 V199	I130-Y190 HydrophobicContact CD1-CE1 4.19Å; I130-Y190 HydrophobicContact CD1-CE2 4.08Å; I130-Y190 HydrophobicContact CG1-CE1 3.97Å; I130-Y190 HydrophobicContact CG1-CE2 4.26Å; I130-Y190 WeakPolarHBondContact CG1-OH 3.39Å; I130-Y190 PolarHBondContact O-OH 2.8Å; F136-Y190 HydrophobicContact CD1-CE1 4.12Å; F136-Y190 AromaticContact CE1-CD1 3.88Å; F136-Y190 HydrophobicContact CE1-CD1 3.88Å; F136-Y190 AromaticContact CE1-CE1 3.56Å; F136-Y190 HydrophobicContact CE1-CE1 3.56Å; F136-Y190 HydrophobicContact CZ-CE1 4.48Å; T186-Y190 WeakPolarHBondContact O-CB 3.42Å; T186-Y190 PolarHBondContact O-N 2.99Å; L187-Y190 PolarHBondContact O-N 3.04Å; Y190-K192 PolarHBondContact O-N 3.02Å; Y190-K192 VanDerWaalsContact O-N 3.15Å; Y190-G193 PolarHBondContact O-N 2.86Å; Y190-E194 WeakPolarHBondContact CD2-O 3.32Å; Y190-C196 HydrophobicContact CD2-CB 4.4Å; Y190-C196 HydrophobicContact CE2-CB 3.9Å; Y190-V199 HydrophobicContact CD1-CG2 4.36Å; Y190-V199 HydrophobicContact CD2-CG2 3.94Å; Y190-V199 HydrophobicContact CG-CG2 3.68Å
191	F	96.3	Very high	96.3	Very high	95 Å²	95	64.3 Å²	64.3	42%	0.417	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-12.8	176	-72	-57.2	0	0	0	114.2	F136 L137 I140 L187 K188 E189	F136-F191 HydrophobicContact CD1-CE1 4.3Å; F136-F191 AromaticContact CD1-CZ 3.99Å; F136-F191 HydrophobicContact CD1-CZ 3.99Å; F136-F191 HydrophobicContact CE1-CE1 4.4Å; F136-F191 AromaticContact CE1-CZ 3.93Å; F136-F191 HydrophobicContact CE1-CZ 3.93Å; L137-F191 HydrophobicContact CD2-CZ 4.01Å; I140-F191 HydrophobicContact CD1-CE2 3.78Å; I140-F191 HydrophobicContact CD1-CZ 3.68Å; L187-F191 WeakPolarHBondContact O-CD2 2.97Å; L187-F191 PolarHBondContact O-N 3.41Å; K188-F191 PolarHBondContact O-N 3.45Å; E189-F191 VanDerWaalsContact C-N 3.33Å; E189-F191 PolarHBondContact O-N 3.28Å
192	K	96.6	Very high	96.2	Very high	150 Å²	150	57.9 Å²	57.9	65%	0.652	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-3	170.4	-63.5	174.9	-162.2	162.8	0	113.3	K188 E189 Y190	K188-K192 WeakPolarHBondContact O-CG 3.41Å; K188-K192 PolarHBondContact O-N 3Å; E189-K192 CarbonylContact O-C 3.54Å; E189-K192 WeakPolarHBondContact O-CA 3.47Å; E189-K192 WeakPolarHBondContact O-CB 3.48Å; E189-K192 PolarHBondContact O-N 3.34Å; E189-K192 IonicContact OE1-NZ 3.27Å; E189-K192 PolarHBondContact OE1-NZ 3.05Å; E189-K192 WeakPolarHBondContact OE2-CD 3.48Å; E189-K192 IonicContact OE2-NZ 3.47Å; E189-K192 PolarHBondContact OE2-NZ 3.3Å; Y190-K192 PolarHBondContact O-N 3.02Å; Y190-K192 VanDerWaalsContact O-N 3.15Å
193	G	95.1	Very high	96.2	Very high	68 Å²	68	52.8 Å²	52.8	70%	0.701	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	112.6	8.1	176.2	0	0	0	0	0	115.4	E189 Y190	E189-G193 PolarHBondContact O-N 3.5Å; Y190-G193 PolarHBondContact O-N 2.86Å
194	E	93.3	Very high	95.9	Very high	91 Å²	91	52.8 Å²	52.8	43%	0.425	28%	0.284	S	S	.	.			trans	-64.2	156.1	168.3	-73.5	-166.6	179.6	0	0	111.9	E189 Y190	E189-E194 HydrophobicContact CB-CB 4.34Å; E189-E194 HydrophobicContact CB-CG 3.83Å; E189-E194 WeakPolarHBondContact CB-OE2 3.26Å; E189-E194 PolarHBondContact O-N 3.35Å; E189-E194 VanDerWaalsContact O-N 3.12Å; Y190-E194 WeakPolarHBondContact CD2-O 3.32Å
195	S	94.2	Very high	95.6	Very high	70 Å²	70	50.6 Å²	50.6	49%	0.49	27%	0.268	S	S	.	.			trans	-61.1	141.7	178.3	177.2	0	0	0	0	112	E197 T198	S195-E197 PolarHBondContact O-N 3.07Å; S195-E197 WeakPolarHBondContact OG-CB 3.47Å; S195-E197 PolarHBondContact OG-N 3.41Å; S195-T198 PolarHBondContact O-N 3.23Å; S195-T198 PolarHBondContact O-OG1 3.36Å
196	C	96	Very high	95.5	Very high	47 Å²	47	46.7 Å²	46.7	32%	0.318	25%	0.247	S	C	.	.	H	α-helix	trans	-57.7	-25.7	171.1	55.2	0	0	0	0	112.8	I130 Y190 T198 V199 F200	I130-C196 HydrophobicContact CD1-CB 3.71Å; I130-C196 HydrophobicContact CG1-CB 4.46Å; Y190-C196 HydrophobicContact CD2-CB 4.4Å; Y190-C196 HydrophobicContact CE2-CB 3.9Å; C196-T198 PolarHBondContact O-N 2.85Å; C196-V199 WeakPolarHBondContact O-CA 3.21Å; C196-V199 VanDerWaalsContact O-CB 3.27Å; C196-V199 WeakPolarHBondContact O-CB 3.28Å; C196-V199 PolarHBondContact O-N 3.43Å; C196-F200 HydrophobicContact CB-CE2 4.39Å; C196-F200 HydrophobicContact CB-CZ 4.15Å; C196-F200 PolarHBondContact O-N 2.76Å
197	E	94.3	Very high	95.3	Very high	66 Å²	66	45.7 Å²	45.7	31%	0.308	24%	0.241	S	C	.	.	H	α-helix	trans	-57.7	-34.7	178.2	-168.8	64.3	-167.1	0	0	111.9	S83 Q85 S195 V199 F200 H201	S83-E197 WeakPolarHBondContact CB-OE2 3.46Å; S83-E197 PolarHBondContact OG-OE1 3.17Å; S83-E197 PolarHBondContact OG-OE2 3.15Å; Q85-E197 WeakPolarHBondContact CB-OE1 3.42Å; Q85-E197 WeakPolarHBondContact CG-OE1 3.27Å; S195-E197 PolarHBondContact O-N 3.07Å; S195-E197 WeakPolarHBondContact OG-CB 3.47Å; S195-E197 PolarHBondContact OG-N 3.41Å; E197-V199 VanDerWaalsContact C-N 3.33Å; E197-V199 PolarHBondContact O-N 3.1Å; E197-F200 PolarHBondContact O-N 3.17Å; E197-H201 WeakPolarHBondContact O-CB 3.32Å; E197-H201 PolarHBondContact O-N 3.02Å
198	T	94.8	Very high	94.9	Very high	49 Å²	49	45.3 Å²	45.3	30%	0.301	24%	0.239	S	C	.	.	H	α-helix	trans	-64.5	-38.7	175.5	66.6	0	0	0	0	111.6	T186 S195 C196 S202	T186-T198 WeakPolarHBondContact CG2-O 3.39Å; S195-T198 PolarHBondContact O-N 3.23Å; S195-T198 PolarHBondContact O-OG1 3.36Å; C196-T198 PolarHBondContact O-N 2.85Å; T198-S202 WeakPolarHBondContact O-CB 3.33Å; T198-S202 PolarHBondContact O-N 3.37Å
199	V	97.3	Very high	94.7	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-65.6	-44	175.7	-175.4	0	0	0	0	109.7	I126 I130 F136 F183 T186 L187 Y190 C196 E197 S202 A203	I126-V199 HydrophobicContact CG2-CG1 4.05Å; I130-V199 HydrophobicContact CD1-CB 4.12Å; I130-V199 HydrophobicContact CD1-CG1 4.16Å; I130-V199 HydrophobicContact CD1-CG2 4.26Å; F136-V199 HydrophobicContact CZ-CG1 4.44Å; F183-V199 HydrophobicContact CE2-CG1 3.96Å; T186-V199 HydrophobicContact CG2-CG2 4.16Å; L187-V199 HydrophobicContact CD2-CG1 3.81Å; L187-V199 HydrophobicContact CD2-CG2 4.47Å; Y190-V199 HydrophobicContact CD1-CG2 4.36Å; Y190-V199 HydrophobicContact CD2-CG2 3.94Å; Y190-V199 HydrophobicContact CG-CG2 3.68Å; C196-V199 WeakPolarHBondContact O-CA 3.21Å; C196-V199 VanDerWaalsContact O-CB 3.27Å; C196-V199 WeakPolarHBondContact O-CB 3.28Å; C196-V199 PolarHBondContact O-N 3.43Å; E197-V199 VanDerWaalsContact C-N 3.33Å; E197-V199 PolarHBondContact O-N 3.1Å; V199-S202 PolarHBondContact O-N 3.28Å; V199-A203 WeakPolarHBondContact O-CB 3.34Å; V199-A203 PolarHBondContact O-N 3.32Å
200	F	95.8	Very high	94.5	Very high	7 Å²	7	37.1 Å²	37.1	3%	0.031	20%	0.203	C	C	.	.	H	α-helix	trans	-62	-48.4	178.8	-59.2	-24.3	0	0	0	111.7	Q85 E86 L89 I126 P127 I130 C196 E197 S202 A203 N204	Q85-F200 HydrophobicContact CB-CB 3.84Å; E86-F200 HydrophobicContact CB-CD2 3.84Å; E86-F200 HydrophobicContact CB-CE2 3.93Å; E86-F200 HydrophobicContact CG-CD2 4.24Å; E86-F200 HydrophobicContact CG-CE2 3.87Å; E86-F200 HydrophobicContact CG-CZ 4.31Å; L89-F200 HydrophobicContact CD1-CB 3.73Å; L89-F200 HydrophobicContact CD1-CD1 3.8Å; L89-F200 HydrophobicContact CD1-CG 4.02Å; I126-F200 HydrophobicContact CG2-CD1 3.94Å; I126-F200 HydrophobicContact CG2-CE1 3.9Å; P127-F200 HydrophobicContact CB-CE1 4.22Å; P127-F200 HydrophobicContact CB-CZ 4.29Å; P127-F200 HydrophobicContact CG-CD1 4.27Å; P127-F200 HydrophobicContact CG-CE1 4.05Å; P127-F200 HydrophobicContact CG-CZ 4.47Å; I130-F200 HydrophobicContact CD1-CE1 4.04Å; I130-F200 HydrophobicContact CG2-CE1 4.01Å; I130-F200 HydrophobicContact CG2-CZ 4.02Å; C196-F200 HydrophobicContact CB-CE2 4.39Å; C196-F200 HydrophobicContact CB-CZ 4.15Å; C196-F200 PolarHBondContact O-N 2.76Å; E197-F200 PolarHBondContact O-N 3.17Å; F200-S202 PolarHBondContact O-N 3.49Å; F200-A203 PolarHBondContact O-N 3.11Å; F200-N204 PolarHBondContact O-N 3.49Å; F200-N204 PolarHBondContact O-ND2 3.33Å
201	H	92.6	Very high	94.1	Very high	55 Å²	55	35.7 Å²	35.7	26%	0.255	20%	0.198	S	C	.	.	H	α-helix	trans	-55.9	-49.8	174.9	-178	79.7	0	0	0	111.4	Q85 E197 A203 N204 H205	Q85-H201 HydrophobicContact CG-CB 4.27Å; E197-H201 WeakPolarHBondContact O-CB 3.32Å; E197-H201 PolarHBondContact O-N 3.02Å; H201-A203 VanDerWaalsContact C-N 3.32Å; H201-A203 PolarHBondContact O-N 2.88Å; H201-N204 PolarHBondContact O-N 3.11Å; H201-H205 AromaticContact CD2-CD2 3.51Å; H201-H205 AromaticContact CD2-NE2 3.59Å; H201-H205 AromaticContact CE1-CD2 3.76Å; H201-H205 AromaticContact CE1-NE2 3.13Å; H201-H205 PolarHBondContact CE1-NE2 3.04Å; H201-H205 AromaticContact ND1-NE2 3.87Å; H201-H205 AromaticContact NE2-CD2 3.33Å; H201-H205 PolarHBondContact NE2-CD2 2.91Å; H201-H205 VanDerWaalsContact NE2-CD2 3.33Å; H201-H205 AromaticContact NE2-NE2 2.87Å; H201-H205 PolarHBondContact NE2-NE2 3.27Å; H201-H205 PolarHBondContact O-CD2 3.2Å; H201-H205 PolarHBondContact O-N 3.41Å; H201-H205 VanDerWaalsContact O-N 3.09Å
202	S	95.1	Very high	93.7	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.014	19%	0.185	C	C	.	.	H	α-helix	trans	-66.5	-31.4	179.7	-172.2	0	0	0	0	113.4	F183 T198 V199 F200 L206	F183-S202 WeakPolarHBondContact CA-OG 3.23Å; F183-S202 PolarHBondContact N-OG 2.78Å; T198-S202 WeakPolarHBondContact O-CB 3.33Å; T198-S202 PolarHBondContact O-N 3.37Å; V199-S202 PolarHBondContact O-N 3.28Å; F200-S202 PolarHBondContact O-N 3.49Å; S202-L206 PolarHBondContact O-N 2.94Å; S202-L206 VanDerWaalsContact O-N 3.16Å
203	A	96.5	Very high	93.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-69.6	-43.6	175.8	0	0	0	0	0	111.5	L89 L123 I126 F183 V199 F200 H201 H205 L206 I207	L89-A203 HydrophobicContact CD1-CB 4.14Å; L89-A203 HydrophobicContact CD2-CB 3.82Å; L123-A203 HydrophobicContact CD2-CB 4.46Å; I126-A203 HydrophobicContact CD1-CB 3.7Å; F183-A203 HydrophobicContact CD2-CB 4.37Å; F183-A203 HydrophobicContact CE2-CB 3.92Å; V199-A203 WeakPolarHBondContact O-CB 3.34Å; V199-A203 PolarHBondContact O-N 3.32Å; F200-A203 PolarHBondContact O-N 3.11Å; H201-A203 VanDerWaalsContact C-N 3.32Å; H201-A203 PolarHBondContact O-N 2.88Å; A203-H205 VanDerWaalsContact C-N 3.31Å; A203-H205 PolarHBondContact O-N 3.13Å; A203-L206 PolarHBondContact O-N 3.28Å; A203-L206 VanDerWaalsContact O-N 3.11Å; A203-I207 PolarHBondContact O-N 2.86Å
204	N	93.1	Very high	93.3	Very high	4 Å²	4	22.5 Å²	22.5	2%	0.021	12%	0.122	C	C	.	.	H	α-helix	trans	-57.3	-45.2	173.4	-80.5	-40.3	0	0	0	111.1	Q85 L89 F200 H201 L206 I207 C208	Q85-N204 WeakPolarHBondContact CA-ND2 3.45Å; Q85-N204 PolarHBondContact O-ND2 3.11Å; Q85-N204 PolarHBondContact OE1-ND2 3.32Å; L89-N204 VanDerWaalsContact CD2-OD1 3.28Å; L89-N204 WeakPolarHBondContact CD2-OD1 3.48Å; L89-N204 WeakPolarHBondContact CG-OD1 3.43Å; F200-N204 PolarHBondContact O-N 3.49Å; F200-N204 PolarHBondContact O-ND2 3.33Å; H201-N204 PolarHBondContact O-N 3.11Å; N204-L206 VanDerWaalsContact C-N 3.29Å; N204-L206 PolarHBondContact O-N 3.25Å; N204-I207 WeakPolarHBondContact O-CB 3.3Å; N204-I207 PolarHBondContact O-N 2.7Å; N204-I207 VanDerWaalsContact O-N 3.15Å; N204-C208 PolarHBondContact O-N 3.29Å; N204-C208 PolarHBondContact O-SG 3.33Å
205	H	92.1	Very high	93.1	Very high	7 Å²	7	24.2 Å²	24.2	3%	0.032	13%	0.125	C	C	.	.	H	α-helix	trans	-58.8	-39.2	175.2	-82.7	-68.6	0	0	0	113.5	E21 Y179 H201 A203 C208 Q209	E21-H205 IonicContact OE1-CE1 3.17Å; E21-H205 IonicContact OE1-NE2 2.86Å; Y179-H205 HydrophobicContact CD1-CB 3.77Å; Y179-H205 HydrophobicContact CE1-CB 3.86Å; Y179-H205 AromaticContact CE1-ND1 3.92Å; H201-H205 AromaticContact CD2-CD2 3.51Å; H201-H205 AromaticContact CD2-NE2 3.59Å; H201-H205 AromaticContact CE1-CD2 3.76Å; H201-H205 AromaticContact CE1-NE2 3.13Å; H201-H205 PolarHBondContact CE1-NE2 3.04Å; H201-H205 AromaticContact ND1-NE2 3.87Å; H201-H205 AromaticContact NE2-CD2 3.33Å; H201-H205 PolarHBondContact NE2-CD2 2.91Å; H201-H205 VanDerWaalsContact NE2-CD2 3.33Å; H201-H205 AromaticContact NE2-NE2 2.87Å; H201-H205 PolarHBondContact NE2-NE2 3.27Å; H201-H205 PolarHBondContact O-CD2 3.2Å; H201-H205 PolarHBondContact O-N 3.41Å; H201-H205 VanDerWaalsContact O-N 3.09Å; A203-H205 VanDerWaalsContact C-N 3.31Å; A203-H205 PolarHBondContact O-N 3.13Å; H205-C208 WeakPolarHBondContact O-CB 3.25Å; H205-C208 PolarHBondContact O-N 3.33Å; H205-Q209 PolarHBondContact O-N 3.34Å
206	L	94.8	Very high	92.9	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-67.4	-40.9	176.6	-173.9	58.1	0	0	0	111.4	L123 I147 F176 F183 S202 A203 N204 C208 Q209 I210	L123-L206 HydrophobicContact CD1-CB 4.26Å; L123-L206 HydrophobicContact CD1-CD2 3.89Å; L123-L206 HydrophobicContact CD1-CG 3.96Å; L123-L206 HydrophobicContact CD2-CD2 4.07Å; I147-L206 HydrophobicContact CD1-CD2 4.25Å; F176-L206 HydrophobicContact CD2-CD1 3.89Å; F176-L206 HydrophobicContact CE2-CD1 3.52Å; F176-L206 HydrophobicContact CE2-CG 4.33Å; F176-L206 HydrophobicContact CZ-CD1 4.26Å; F183-L206 HydrophobicContact CB-CD2 4.35Å; F183-L206 HydrophobicContact CD1-CD2 4.23Å; F183-L206 HydrophobicContact CG-CD2 4.3Å; S202-L206 PolarHBondContact O-N 2.94Å; S202-L206 VanDerWaalsContact O-N 3.16Å; A203-L206 PolarHBondContact O-N 3.28Å; A203-L206 VanDerWaalsContact O-N 3.11Å; N204-L206 VanDerWaalsContact C-N 3.29Å; N204-L206 PolarHBondContact O-N 3.25Å; L206-C208 VanDerWaalsContact C-N 3.31Å; L206-C208 PolarHBondContact O-N 3.25Å; L206-Q209 PolarHBondContact O-N 2.9Å; L206-I210 WeakPolarHBondContact O-CG1 3.28Å; L206-I210 PolarHBondContact O-N 2.76Å; L206-I210 VanDerWaalsContact O-N 3.14Å
207	I	94	Very high	92.7	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-59.6	-43	171.5	-67.1	174.8	0	0	0	110.8	L89 H92 R120 L123 A203 N204 Q209 I210 M211	L89-I207 HydrophobicContact CD2-CD1 3.74Å; H92-I207 HydrophobicContact CB-CD1 4.05Å; R120-I207 HydrophobicContact CG-CD1 4.16Å; R120-I207 HydrophobicContact CG-CG1 4.21Å; R120-I207 HydrophobicContact CG-CG2 3.86Å; L123-I207 HydrophobicContact CB-CD1 3.91Å; L123-I207 HydrophobicContact CB-CG1 3.97Å; L123-I207 HydrophobicContact CD1-CG1 3.71Å; L123-I207 HydrophobicContact CG-CG1 4.49Å; A203-I207 PolarHBondContact O-N 2.86Å; N204-I207 WeakPolarHBondContact O-CB 3.3Å; N204-I207 PolarHBondContact O-N 2.7Å; N204-I207 VanDerWaalsContact O-N 3.15Å; I207-Q209 VanDerWaalsContact C-N 3.32Å; I207-Q209 PolarHBondContact O-N 3.21Å; I207-I210 WeakPolarHBondContact O-CB 3.37Å; I207-I210 PolarHBondContact O-N 3.22Å; I207-I210 VanDerWaalsContact O-N 3.08Å; I207-M211 HydrophobicContact CG2-CG 4.41Å; I207-M211 HydrophobicContact CG2-SD 4.16Å; I207-M211 WeakPolarHBondContact O-CG 3.25Å; I207-M211 PolarHBondContact O-N 3.03Å
208	C	88.8	Confident	92.5	Very high	5 Å²	5	20.3 Å²	20.3	3%	0.034	9%	0.093	C	C	.	.	H	α-helix	trans	-58.2	-43.7	176	-67.2	0	0	0	0	111.6	F24 N204 H205 L206 I210 M211 I212	F24-C208 HydrophobicContact CB-CB 4.2Å; N204-C208 PolarHBondContact O-N 3.29Å; N204-C208 PolarHBondContact O-SG 3.33Å; H205-C208 WeakPolarHBondContact O-CB 3.25Å; H205-C208 PolarHBondContact O-N 3.33Å; L206-C208 VanDerWaalsContact C-N 3.31Å; L206-C208 PolarHBondContact O-N 3.25Å; C208-I210 VanDerWaalsContact C-N 3.29Å; C208-I210 PolarHBondContact O-N 2.69Å; C208-M211 PolarHBondContact O-N 3.29Å; C208-M211 VanDerWaalsContact O-N 3.17Å; C208-I212 WeakPolarHBondContact O-CD1 3.36Å; C208-I212 VanDerWaalsContact O-CG1 3.22Å; C208-I212 WeakPolarHBondContact O-CG1 3.43Å; C208-I212 PolarHBondContact O-N 3.35Å
209	Q	92.2	Very high	92.2	Very high	7 Å²	7	22 Å²	22	3%	0.033	10%	0.097	C	C	.	.	H	α-helix	trans	-61.2	-37.9	175.7	-66.9	-50.4	-50.3	0	0	112.6	F176 Y179 H205 L206 I207 F213	F176-Q209 HydrophobicContact CD2-CB 4.06Å; Y179-Q209 HydrophobicContact CD1-CG 4.07Å; Y179-Q209 HydrophobicContact CD2-CG 3.49Å; Y179-Q209 VanDerWaalsContact CD2-CG 3.49Å; Y179-Q209 HydrophobicContact CE2-CG 4.04Å; Y179-Q209 HydrophobicContact CG-CG 3.49Å; Y179-Q209 VanDerWaalsContact CG-CG 3.49Å; H205-Q209 PolarHBondContact O-N 3.34Å; L206-Q209 PolarHBondContact O-N 2.9Å; I207-Q209 VanDerWaalsContact C-N 3.32Å; I207-Q209 PolarHBondContact O-N 3.21Å; Q209-F213 VanDerWaalsContact O-CB 3.23Å; Q209-F213 WeakPolarHBondContact O-CB 3.46Å; Q209-F213 PolarHBondContact O-N 3.25Å
210	I	93.5	Very high	91.8	Very high	3 Å²	3	27.6 Å²	27.6	2%	0.015	12%	0.122	C	C	.	.	H	α-helix	trans	-60.8	-48.5	173.8	-62.6	166.9	0	0	0	110.2	L100 A116 L119 L123 F176 L206 I207 C208 I212 F213 I214	L100-I210 HydrophobicContact CD2-CG2 4.41Å; A116-I210 HydrophobicContact CB-CG2 3.46Å; A116-I210 VanDerWaalsContact CB-CG2 3.46Å; L119-I210 HydrophobicContact CB-CD1 4.04Å; L119-I210 HydrophobicContact CD2-CD1 3.52Å; L119-I210 HydrophobicContact CD2-CG1 4.22Å; L119-I210 HydrophobicContact CG-CD1 3.59Å; L123-I210 HydrophobicContact CD1-CD1 4.12Å; F176-I210 HydrophobicContact CD2-CG1 4.22Å; F176-I210 HydrophobicContact CE2-CD1 4.35Å; F176-I210 HydrophobicContact CE2-CG1 3.66Å; L206-I210 WeakPolarHBondContact O-CG1 3.28Å; L206-I210 PolarHBondContact O-N 2.76Å; L206-I210 VanDerWaalsContact O-N 3.14Å; I207-I210 WeakPolarHBondContact O-CB 3.37Å; I207-I210 PolarHBondContact O-N 3.22Å; I207-I210 VanDerWaalsContact O-N 3.08Å; C208-I210 VanDerWaalsContact C-N 3.29Å; C208-I210 PolarHBondContact O-N 2.69Å; I210-I212 PolarHBondContact O-N 2.91Å; I210-F213 PolarHBondContact O-N 3.4Å; I210-I214 HydrophobicContact CG2-CG1 4.48Å; I210-I214 WeakPolarHBondContact O-CG1 3.44Å; I210-I214 PolarHBondContact O-N 2.93Å
211	M	90	Very high	91.2	Very high	24 Å²	24	29.5 Å²	29.5	12%	0.118	13%	0.132	C	C	.	.	H	α-helix	trans	-62.4	-44	-179.2	-67.3	178.4	69.5	0	0	112.2	E99 L100 I207 C208 F213 I214 R215	E99-M211 WeakPolarHBondContact OE1-CE 3.36Å; L100-M211 HydrophobicContact CD2-CG 4.41Å; I207-M211 HydrophobicContact CG2-CG 4.41Å; I207-M211 HydrophobicContact CG2-SD 4.16Å; I207-M211 WeakPolarHBondContact O-CG 3.25Å; I207-M211 PolarHBondContact O-N 3.03Å; C208-M211 PolarHBondContact O-N 3.29Å; C208-M211 VanDerWaalsContact O-N 3.17Å; M211-F213 VanDerWaalsContact C-N 3.34Å; M211-F213 PolarHBondContact O-N 3.26Å; M211-I214 PolarHBondContact O-N 3.47Å; M211-R215 WeakPolarHBondContact O-CB 3.35Å; M211-R215 PolarHBondContact O-N 3.34Å
212	I	88.2	Confident	90.6	Very high	28 Å²	28	28.8 Å²	28.8	14%	0.144	13%	0.129	C	C	.	.	H	α-helix	trans	-61.4	-45.7	176.5	-64.6	157	0	0	0	110.5	F24 C208 I210 I214 R215 V216	F24-I212 HydrophobicContact CD1-CD1 3.65Å; F24-I212 HydrophobicContact CD1-CG1 4.06Å; F24-I212 HydrophobicContact CD2-CD1 4.18Å; F24-I212 HydrophobicContact CE1-CD1 3.19Å; F24-I212 HydrophobicContact CE1-CG1 3.68Å; F24-I212 HydrophobicContact CE2-CD1 3.76Å; F24-I212 HydrophobicContact CG-CD1 4.15Å; F24-I212 HydrophobicContact CZ-CD1 3.25Å; F24-I212 HydrophobicContact CZ-CG1 4.2Å; C208-I212 WeakPolarHBondContact O-CD1 3.36Å; C208-I212 VanDerWaalsContact O-CG1 3.22Å; C208-I212 WeakPolarHBondContact O-CG1 3.43Å; C208-I212 PolarHBondContact O-N 3.35Å; I210-I212 PolarHBondContact O-N 2.91Å; I212-I214 PolarHBondContact O-N 2.97Å; I212-R215 PolarHBondContact O-N 3.25Å; I212-V216 WeakPolarHBondContact O-CG2 3.41Å; I212-V216 PolarHBondContact O-N 3.18Å
213	F	91.5	Very high	89.5	Confident	6 Å²	6	36.7 Å²	36.7	3%	0.026	17%	0.17	C	C	.	.	H	α-helix	trans	-59.4	-47.9	-179.8	-171	-85.4	0	0	0	111.1	V112 I154 I169 R172 K173 Q209 I210 M211 R215 V216 I217	V112-F213 HydrophobicContact CG1-CD1 4.48Å; V112-F213 HydrophobicContact CG1-CE1 3.98Å; I154-F213 HydrophobicContact CB-CZ 4.29Å; I154-F213 HydrophobicContact CD1-CD1 4.32Å; I154-F213 HydrophobicContact CD1-CE1 3.58Å; I154-F213 HydrophobicContact CD1-CE2 4.01Å; I154-F213 HydrophobicContact CD1-CZ 3.46Å; I154-F213 VanDerWaalsContact CD1-CZ 3.46Å; I154-F213 HydrophobicContact CG1-CE1 3.63Å; I154-F213 HydrophobicContact CG1-CZ 3.57Å; I154-F213 HydrophobicContact CG2-CE2 4.39Å; I154-F213 HydrophobicContact CG2-CZ 3.7Å; I169-F213 HydrophobicContact CG2-CE2 4.33Å; I169-F213 HydrophobicContact CG2-CZ 3.93Å; R172-F213 HydrophobicContact CB-CD2 3.47Å; R172-F213 VanDerWaalsContact CB-CD2 3.47Å; R172-F213 HydrophobicContact CB-CE2 3.74Å; R172-F213 HydrophobicContact CB-CG 4.5Å; K173-F213 HydrophobicContact CB-CE2 4.2Å; Q209-F213 VanDerWaalsContact O-CB 3.23Å; Q209-F213 WeakPolarHBondContact O-CB 3.46Å; Q209-F213 PolarHBondContact O-N 3.25Å; I210-F213 PolarHBondContact O-N 3.4Å; M211-F213 VanDerWaalsContact C-N 3.34Å; M211-F213 PolarHBondContact O-N 3.26Å; F213-R215 PolarHBondContact O-N 3.38Å; F213-V216 PolarHBondContact O-N 2.87Å; F213-I217 HydrophobicContact CD1-CD1 3.69Å; F213-I217 HydrophobicContact CD1-CG1 4.37Å; F213-I217 HydrophobicContact CE1-CD1 3.23Å; F213-I217 HydrophobicContact CE1-CG1 4.12Å; F213-I217 HydrophobicContact CZ-CD1 4.08Å; F213-I217 PolarHBondContact O-N 2.68Å; F213-I217 VanDerWaalsContact O-N 3.08Å
214	I	92.1	Very high	89.2	Confident	1 Å²	1	38.5 Å²	38.5	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-65.6	-38.6	178.3	-65.1	-62.3	0	0	0	112.1	L100 L102 V112 A116 I210 M211 I212 V216 I217 R218	L100-I214 HydrophobicContact CD2-CB 4.16Å; L100-I214 HydrophobicContact CD2-CG1 3.98Å; L100-I214 HydrophobicContact CD2-CG2 4.29Å; L102-I214 HydrophobicContact CD1-CD1 3.87Å; L102-I214 HydrophobicContact CD1-CG2 4.31Å; L102-I214 HydrophobicContact CD2-CG2 3.92Å; L102-I214 HydrophobicContact CG-CG2 4.16Å; V112-I214 HydrophobicContact CG1-CD1 3.99Å; A116-I214 HydrophobicContact CB-CD1 3.73Å; A116-I214 HydrophobicContact CB-CG1 3.81Å; I210-I214 HydrophobicContact CG2-CG1 4.48Å; I210-I214 WeakPolarHBondContact O-CG1 3.44Å; I210-I214 PolarHBondContact O-N 2.93Å; M211-I214 PolarHBondContact O-N 3.47Å; I212-I214 PolarHBondContact O-N 2.97Å; I214-V216 PolarHBondContact O-N 3.22Å; I214-I217 PolarHBondContact O-N 3.05Å; I214-R218 PolarHBondContact O-N 3.02Å
215	R	88.7	Confident	89	Confident	127 Å²	127	40.3 Å²	40.3	48%	0.479	19%	0.187	S	C	.	.	H	α-helix	trans	-58.5	-46.8	174.2	-179.8	177.6	175.3	-179.1	-2	111.5	M211 I212 F213 I217 R218 E219	M211-R215 WeakPolarHBondContact O-CB 3.35Å; M211-R215 PolarHBondContact O-N 3.34Å; I212-R215 PolarHBondContact O-N 3.25Å; F213-R215 PolarHBondContact O-N 3.38Å; R215-I217 VanDerWaalsContact C-N 3.34Å; R215-I217 PolarHBondContact O-N 3.35Å; R215-R218 PolarHBondContact O-N 3.18Å; R215-E219 HydrophobicContact CG-CG 4.4Å; R215-E219 WeakPolarHBondContact CG-OE1 3.26Å; R215-E219 IonicContact CZ-OE1 2.76Å; R215-E219 IonicContact NE-OE1 3.63Å; R215-E219 PolarHBondContact NE-OE1 3Å; R215-E219 IonicContact NH2-OE1 3.69Å; R215-E219 PolarHBondContact NH2-OE1 2.82Å; R215-E219 WeakPolarHBondContact O-CG 2.97Å; R215-E219 PolarHBondContact O-N 2.56Å
216	V	90.9	Very high	88.8	Confident	25 Å²	25	42.2 Å²	42.2	15%	0.152	20%	0.196	C	C	.	.	H	α-helix	trans	-61.2	-42.6	177.2	170.7	0	0	0	0	111.3	V168 I169 R172 I212 F213 I214 R218 E219 K220	V168-V216 HydrophobicContact CG1-CG1 3.85Å; I169-V216 HydrophobicContact CD1-CG1 4.05Å; R172-V216 HydrophobicContact CG-CB 4.44Å; R172-V216 HydrophobicContact CG-CG1 4.3Å; R172-V216 HydrophobicContact CG-CG2 4.2Å; I212-V216 WeakPolarHBondContact O-CG2 3.41Å; I212-V216 PolarHBondContact O-N 3.18Å; F213-V216 PolarHBondContact O-N 2.87Å; I214-V216 PolarHBondContact O-N 3.22Å; V216-R218 VanDerWaalsContact C-N 3.34Å; V216-R218 PolarHBondContact O-N 3.31Å; V216-E219 PolarHBondContact O-N 2.49Å; V216-K220 HydrophobicContact CG1-CG 4.21Å; V216-K220 VanDerWaalsContact O-CB 3.28Å; V216-K220 WeakPolarHBondContact O-CB 3.47Å; V216-K220 WeakPolarHBondContact O-CG 3.43Å; V216-K220 PolarHBondContact O-N 3.1Å
217	I	91.4	Very high	88.4	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-60.1	-46.8	175.7	-70.6	177.6	0	0	0	110.8	L102 V109 V112 L157 I169 F213 I214 R215 E219 K220 I221	L102-I217 HydrophobicContact CD1-CB 4.26Å; L102-I217 HydrophobicContact CD1-CG2 3.61Å; L102-I217 HydrophobicContact CD2-CG2 4.18Å; V109-I217 HydrophobicContact CG1-CG2 3.8Å; V112-I217 HydrophobicContact CG1-CD1 3.71Å; L157-I217 HydrophobicContact CD2-CD1 3.96Å; I169-I217 HydrophobicContact CD1-CG1 3.92Å; F213-I217 HydrophobicContact CD1-CD1 3.69Å; F213-I217 HydrophobicContact CD1-CG1 4.37Å; F213-I217 HydrophobicContact CE1-CD1 3.23Å; F213-I217 HydrophobicContact CE1-CG1 4.12Å; F213-I217 HydrophobicContact CZ-CD1 4.08Å; F213-I217 PolarHBondContact O-N 2.68Å; F213-I217 VanDerWaalsContact O-N 3.08Å; I214-I217 PolarHBondContact O-N 3.05Å; R215-I217 VanDerWaalsContact C-N 3.34Å; R215-I217 PolarHBondContact O-N 3.35Å; I217-E219 PolarHBondContact O-N 3.46Å; I217-K220 PolarHBondContact O-N 3.16Å; I217-I221 HydrophobicContact CB-CD1 4.26Å; I217-I221 HydrophobicContact CG1-CD1 4.06Å; I217-I221 HydrophobicContact CG2-CB 4.35Å; I217-I221 HydrophobicContact CG2-CD1 3.95Å; I217-I221 VanDerWaalsContact O-CB 3.28Å; I217-I221 WeakPolarHBondContact O-CB 3.11Å; I217-I221 PolarHBondContact O-N 3.12Å
218	R	89.8	Confident	88.1	Confident	77 Å²	77	47.4 Å²	47.4	29%	0.291	22%	0.22	S	C	.	.	I	π-helix	trans	-58.5	-48.7	178.5	-178.9	178.5	-70.2	129.1	5.1	111.6	E99 R101 L102 I214 R215 V216 I222 L223	E99-R218 VanDerWaalsContact C-NH2 3.32Å; E99-R218 PolarHBondContact O-NH1 3.12Å; E99-R218 VanDerWaalsContact O-NH1 3.12Å; E99-R218 PolarHBondContact O-NH2 2.84Å; R101-R218 PolarHBondContact O-NH2 3.2Å; L102-R218 HydrophobicContact CD2-CB 4.11Å; I214-R218 PolarHBondContact O-N 3.02Å; R215-R218 PolarHBondContact O-N 3.18Å; V216-R218 VanDerWaalsContact C-N 3.34Å; V216-R218 PolarHBondContact O-N 3.31Å; R218-I222 PolarHBondContact O-N 3.25Å; R218-L223 HydrophobicContact CG-CD1 4.15Å; R218-L223 HydrophobicContact CG-CG 4.35Å; R218-L223 WeakPolarHBondContact O-CG 3.19Å; R218-L223 PolarHBondContact O-N 3.48Å
219	E	88.1	Confident	88.1	Confident	84 Å²	84	50.3 Å²	50.3	39%	0.393	23%	0.233	S	C	.	.	I	π-helix	trans	-73.1	-24.3	-175.3	-71.7	175	179.1	0	0	114.5	R215 V216 I217	R215-E219 HydrophobicContact CG-CG 4.4Å; R215-E219 WeakPolarHBondContact CG-OE1 3.26Å; R215-E219 IonicContact CZ-OE1 2.76Å; R215-E219 IonicContact NE-OE1 3.63Å; R215-E219 PolarHBondContact NE-OE1 3Å; R215-E219 IonicContact NH2-OE1 3.69Å; R215-E219 PolarHBondContact NH2-OE1 2.82Å; R215-E219 WeakPolarHBondContact O-CG 2.97Å; R215-E219 PolarHBondContact O-N 2.56Å; V216-E219 PolarHBondContact O-N 2.49Å; I217-E219 PolarHBondContact O-N 3.46Å
220	K	88	Confident	87.8	Confident	118 Å²	118	53.4 Å²	53.4	51%	0.513	25%	0.247	S	C	.	.	I	π-helix	trans	-113.7	-17.6	-172	-62.1	-63.7	-175.3	-176.4	0	114.8	L165 V216 I217	L165-K220 WeakPolarHBondContact CD1-O 3.46Å; L165-K220 HydrophobicContact CD2-CB 3.88Å; V216-K220 HydrophobicContact CG1-CG 4.21Å; V216-K220 VanDerWaalsContact O-CB 3.28Å; V216-K220 WeakPolarHBondContact O-CB 3.47Å; V216-K220 WeakPolarHBondContact O-CG 3.43Å; V216-K220 PolarHBondContact O-N 3.1Å; I217-K220 PolarHBondContact O-N 3.16Å
221	I	84.7	Confident	87.3	Confident	47 Å²	47	57.2 Å²	57.2	24%	0.241	27%	0.265	C	S	.	.	I	π-helix	trans	-119.5	-34.5	-174.1	-61.3	165.7	0	0	0	111.9	V109 L157 L161 L165 I169 I217	V109-I221 HydrophobicContact CG2-CG2 4.25Å; L157-I221 HydrophobicContact CD2-CD1 4.26Å; L161-I221 HydrophobicContact CD1-CD1 4.18Å; L161-I221 HydrophobicContact CD2-CD1 3.5Å; L161-I221 HydrophobicContact CD2-CG1 3.86Å; L161-I221 HydrophobicContact CD2-CG2 4.27Å; L165-I221 HydrophobicContact CD1-CG1 4.11Å; I169-I221 HydrophobicContact CD1-CD1 4.06Å; I169-I221 HydrophobicContact CG1-CD1 4.23Å; I217-I221 HydrophobicContact CB-CD1 4.26Å; I217-I221 HydrophobicContact CG1-CD1 4.06Å; I217-I221 HydrophobicContact CG2-CB 4.35Å; I217-I221 HydrophobicContact CG2-CD1 3.95Å; I217-I221 VanDerWaalsContact O-CB 3.28Å; I217-I221 WeakPolarHBondContact O-CB 3.11Å; I217-I221 PolarHBondContact O-N 3.12Å
222	I	80.4	Confident	87.1	Confident	40 Å²	40	60 Å²	60	21%	0.205	28%	0.277	C	S	.	.	I	π-helix	trans	-101.6	-43.3	-172.4	-60.6	-179	0	0	0	112.3	L102 N104 V109 R218	L102-I222 HydrophobicContact CB-CD1 3.74Å; L102-I222 HydrophobicContact CD2-CD1 3.51Å; L102-I222 HydrophobicContact CG-CD1 4.16Å; N104-I222 HydrophobicContact CB-CG2 3.53Å; V109-I222 HydrophobicContact CG1-CD1 3.88Å; V109-I222 HydrophobicContact CG1-CG1 4.25Å; R218-I222 PolarHBondContact O-N 3.25Å
223	L	71.5	Confident	87	Confident	167 Å²	167	62.9 Å²	62.9	87%	0.874	29%	0.289	S	S	*	.			trans	-85.9	0	174.4	-62.5	176.8	0	0	0	110.1	R218	R218-L223 HydrophobicContact CG-CD1 4.15Å; R218-L223 HydrophobicContact CG-CG 4.35Å; R218-L223 WeakPolarHBondContact O-CG 3.19Å; R218-L223 PolarHBondContact O-N 3.48Å

Retrieved 223 of 223 residues in 465.1 ms (Link to these results)

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