A0A087XSW1_POEFO Loading...

deoxyguanosine kinase

AlphaFold DB , UniProt , Accession A0A087XSW1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 274 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	T	43.2	Very low	32	Very low	193 Å²	193	143.1 Å²	143.1	100%	1.184	83%	0.825	S	S	*	*				0	91.7	0	-51.7	0	0	0	0	110.1
2	I	35.5	Very low	32.2	Very low	172 Å²	172	142.8 Å²	142.8	88%	0.882	82%	0.818	S	S	*	*			trans	-148.8	100.5	150.3	-64.3	-168.2	0	0	0	106.1
3	C	27.6	Very low	32.5	Very low	113 Å²	113	139.4 Å²	139.4	76%	0.764	80%	0.804	S	S	*	*			trans	-53	160.2	151.9	-89	0	0	0	0	110.2
4	S	29.4	Very low	32.5	Very low	97 Å²	97	136.8 Å²	136.8	68%	0.678	80%	0.798	S	S	*	*			cis	-178.3	165.6	4.9	47.9	0	0	0	0	107.2
5	S	30.5	Very low	32.6	Very low	98 Å²	98	137.4 Å²	137.4	69%	0.685	80%	0.795	S	S	*	*			trans	64.3	115.4	140.6	61.9	0	0	0	0	120.2
6	M	31.1	Very low	32.7	Very low	199 Å²	199	135.2 Å²	135.2	98%	0.98	79%	0.79	S	S	*	*				-150.6	130.9	114.8	-102.5	174.9	-170.3	0	0	110.2
7	D	31.2	Very low	32.5	Very low	138 Å²	138	132.9 Å²	132.9	74%	0.738	78%	0.782	S	S	*	*			trans	-81.5	151.3	-174.1	-100.9	-48.5	0	0	0	113.4
8	K	32.5	Very low	32.6	Very low	170 Å²	170	131.1 Å²	131.1	74%	0.739	78%	0.777	S	S	*	*			trans	53.5	117.6	141.5	-63.8	173.3	-174.3	175.1	0	120
9	N	29.4	Very low	32.8	Very low	165 Å²	165	132.3 Å²	132.3	88%	0.882	77%	0.772	S	S	*	*				-147.1	141.8	123.1	-124.5	-19.3	0	0	0	113.4
10	I	32.8	Very low	32.6	Very low	159 Å²	159	133.8 Å²	133.8	82%	0.815	78%	0.776	S	S	*	*			trans	-81.9	141.3	-167.8	-70.4	154.8	0	0	0	110.5
11	G	28.5	Very low	32.7	Very low	70 Å²	70	135 Å²	135	72%	0.722	77%	0.769	S	S	*	*			trans	-172.6	88.7	169.8	0	0	0	0	0	111.3	P13	G11-P13 WeakPolarHBondContact O-CD 3.37Å
12	D	34.8	Very low	32.4	Very low	140 Å²	140	129.6 Å²	129.6	75%	0.749	74%	0.739	S	S	*	*			trans	-77.7	131	166.5	-175.7	10.8	0	0	0	109.2	S14	D12-S14 PolarHBondContact OD1-N 3.44Å
13	P	36.1	Very low	32.4	Very low	98 Å²	98	126.1 Å²	126.1	64%	0.636	73%	0.73	S	S	*	*			trans	-126.3	101	143.9	30.7	-15.6	0	0	0	109.5	G11 I15	G11-P13 WeakPolarHBondContact O-CD 3.37Å; P13-I15 VanDerWaalsContact C-N 3.32Å; P13-I15 PolarHBondContact O-N 3.35Å
14	S	33.2	Very low	33	Very low	103 Å²	103	125.5 Å²	125.5	72%	0.72	73%	0.727	S	S	*	*			trans	-47.3	94.3	154.1	58.5	0	0	0	0	110.3	D12	D12-S14 PolarHBondContact OD1-N 3.44Å
15	I	33.8	Very low	33.7	Very low	146 Å²	146	124.3 Å²	124.3	75%	0.749	72%	0.719	S	S	*	*			trans	-99.1	89	163	-62.5	177.9	0	0	0	106.3	P13 C17	P13-I15 VanDerWaalsContact C-N 3.32Å; P13-I15 PolarHBondContact O-N 3.35Å; I15-C17 VanDerWaalsContact C-N 3.33Å; I15-C17 PolarHBondContact O-N 3.01Å
16	S	33.1	Very low	34.4	Very low	102 Å²	102	127 Å²	127	71%	0.713	71%	0.714	S	S	*	*			trans	-65.5	93.7	165.1	63.6	0	0	0	0	108.6	S18	S16-S18 PolarHBondContact O-N 3.37Å
17	C	29.3	Very low	35.3	Very low	96 Å²	96	123.5 Å²	123.5	65%	0.649	70%	0.699	S	S	*	*			trans	-82	76.5	167.3	-154.7	0	0	0	0	108.5	I15 K19	I15-C17 VanDerWaalsContact C-N 3.33Å; I15-C17 PolarHBondContact O-N 3.01Å; C17-K19 PolarHBondContact O-N 3.39Å
18	S	34.2	Very low	36.5	Very low	100 Å²	100	118 Å²	118	70%	0.699	68%	0.675	S	S	*	*			trans	-69.6	78.5	169.5	-50	0	0	0	0	108.8	S16 N20	S16-S18 PolarHBondContact O-N 3.37Å; S18-N20 PolarHBondContact O-N 2.88Å; S18-N20 VanDerWaalsContact O-N 3.16Å
19	K	36.3	Very low	37.8	Very low	155 Å²	155	111.8 Å²	111.8	67%	0.674	66%	0.655	S	S	*	*			trans	-75.8	100.7	166.3	-78.1	-176.8	-179.6	175.7	0	108	C17 Y21	C17-K19 PolarHBondContact O-N 3.39Å; K19-Y21 VanDerWaalsContact C-N 3.26Å; K19-Y21 PolarHBondContact O-N 3.49Å
20	N	30.3	Very low	39.6	Very low	161 Å²	161	108.2 Å²	108.2	86%	0.861	64%	0.643	S	S	*	*			trans	-55.2	91.7	161.1	-77	-24.6	0	0	0	108.9	S18 S22	S18-N20 PolarHBondContact O-N 2.88Å; S18-N20 VanDerWaalsContact O-N 3.16Å; N20-S22 PolarHBondContact O-N 3.07Å
21	Y	34.2	Very low	42	Very low	161 Å²	161	104.7 Å²	104.7	63%	0.631	62%	0.619	S	S	*	*			trans	-68	118.7	160.3	-87	-88.8	0	0	0	106.9	K19 S23	K19-Y21 VanDerWaalsContact C-N 3.26Å; K19-Y21 PolarHBondContact O-N 3.49Å; Y21-S23 PolarHBondContact O-N 3.46Å
22	S	35.8	Very low	45.1	Very low	78 Å²	78	101.4 Å²	101.4	55%	0.545	59%	0.585	S	S	.	*			trans	-49.6	115.4	169.8	51.3	0	0	0	0	109.6	N20 S24 S25	N20-S22 PolarHBondContact O-N 3.07Å; S22-S24 PolarHBondContact O-N 3.24Å; S22-S24 VanDerWaalsContact O-N 3.14Å; S22-S25 PolarHBondContact O-OG 3.25Å
23	S	37.4	Very low	47.9	Very low	100 Å²	100	96.7 Å²	96.7	70%	0.699	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.3	-9.9	-174.1	50.3	0	0	0	0	113.8	Y21	Y21-S23 PolarHBondContact O-N 3.46Å
24	S	40.2	Very low	50.8	Low	100 Å²	100	93.9 Å²	93.9	70%	0.699	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-18.8	-178.1	60.9	0	0	0	0	114.8	S22	S22-S24 PolarHBondContact O-N 3.24Å; S22-S24 VanDerWaalsContact O-N 3.14Å
25	S	43.6	Very low	53.8	Low	72 Å²	72	89 Å²	89	50%	0.503	50%	0.501	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-20.2	-177.5	61.4	0	0	0	0	114.2	S22	S22-S25 PolarHBondContact O-OG 3.25Å
26	R	44.6	Very low	56.9	Low	155 Å²	155	82 Å²	82	59%	0.585	47%	0.465	S	S	*	.	H	α-helix	trans	-79.9	-32.3	-178.9	-70	-174.3	-173.4	-178.9	2.4	112.8	S30	R26-S30 PolarHBondContact O-N 3.3Å; R26-S30 PolarHBondContact O-OG 2.87Å
27	D	50.3	Low	60	Low	125 Å²	125	77.2 Å²	77.2	67%	0.668	43%	0.431	S	S	*	.	H	α-helix	trans	-71.5	-30.5	-178.7	-89.4	-10.3	0	0	0	113.7	S30	D27-S30 PolarHBondContact O-OG 3.07Å; D27-S30 VanDerWaalsContact O-OG 3.07Å
28	G	56.7	Low	63.3	Low	22 Å²	22	72.6 Å²	72.6	23%	0.227	40%	0.4	C	S	.	.	H	α-helix	trans	-73.9	-37.5	177	0	0	0	0	0	113
29	A	60.1	Low	66.4	Low	39 Å²	39	67.9 Å²	67.9	32%	0.322	37%	0.367	S	S	.	.	H	α-helix	trans	-78.5	-28.8	-177	0	0	0	0	0	113.1	R31 V32	A29-R31 PolarHBondContact O-N 2.88Å; A29-V32 PolarHBondContact O-N 2.91Å
30	S	66.7	Low	69.4	Low	90 Å²	90	60.6 Å²	60.6	63%	0.629	34%	0.335	S	S	*	.	H	α-helix	trans	-67.8	-20.3	174.6	64	0	0	0	0	113	R26 D27	R26-S30 PolarHBondContact O-N 3.3Å; R26-S30 PolarHBondContact O-OG 2.87Å; D27-S30 PolarHBondContact O-OG 3.07Å; D27-S30 VanDerWaalsContact O-OG 3.07Å
31	R	83.5	Confident	72.5	Confident	86 Å²	86	53.3 Å²	53.3	33%	0.325	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-21.6	176.9	-164.5	177.1	72.3	105.5	-0.7	113.7	A29 K33 L126 L127 T129 E131 P133	A29-R31 PolarHBondContact O-N 2.88Å; R31-K33 PolarHBondContact O-N 2.62Å; R31-L126 PolarHBondContact NH2-O 3.42Å; R31-L127 PolarHBondContact NH2-O 2.59Å; R31-L127 VanDerWaalsContact NH2-O 3.17Å; R31-T129 PolarHBondContact NH1-O 3.21Å; R31-T129 PolarHBondContact NH2-O 3.04Å; R31-E131 PolarHBondContact NH1-O 3.3Å; R31-P133 HydrophobicContact CG-CG 4.26Å
32	V	92.4	Very high	75.4	Confident	1 Å²	1	46.4 Å²	46.4	1%	0.006	27%	0.273	C	S	.	.			trans	-78.1	112.9	-174.8	-177.9	0	0	0	0	110.3	A29 P122 L126 L127 P133 Q135	A29-V32 PolarHBondContact O-N 2.91Å; V32-P122 HydrophobicContact CB-CG 4.22Å; V32-P122 HydrophobicContact CG1-CB 4.35Å; V32-P122 HydrophobicContact CG1-CG 4.16Å; V32-P122 HydrophobicContact CG2-CB 4.08Å; V32-P122 HydrophobicContact CG2-CG 3.99Å; V32-L126 HydrophobicContact CG1-CD1 4.48Å; V32-L127 HydrophobicContact CG2-CD2 3.88Å; V32-P133 HydrophobicContact CG2-CB 4.19Å; V32-P133 HydrophobicContact CG2-CG 4.11Å; V32-Q135 HydrophobicContact CG1-CB 4.38Å; V32-Q135 HydrophobicContact CG1-CG 3.79Å
33	K	94.7	Very high	78.4	Confident	41 Å²	41	42.7 Å²	42.7	18%	0.178	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	138.1	179.1	-59.1	-65.1	-175.5	168.7	0	111.1	R31 T132 P133 V134 Q135 E184 L274	R31-K33 PolarHBondContact O-N 2.62Å; K33-T132 HydrophobicContact CG-CG2 4.01Å; K33-P133 PolarHBondContact N-O 2.91Å; K33-V134 HydrophobicContact CB-CG1 4.26Å; K33-V134 HydrophobicContact CB-CG2 4.16Å; K33-V134 CarbonylContact O-C 3.57Å; K33-V134 WeakPolarHBondContact O-CA 3.41Å; K33-Q135 PolarHBondContact O-N 3.31Å; K33-E184 WeakPolarHBondContact CA-OE1 3.41Å; K33-E184 WeakPolarHBondContact CD-OE1 3.4Å; K33-E184 WeakPolarHBondContact CD-OE2 3.33Å; K33-E184 WeakPolarHBondContact CE-OE2 3.38Å; K33-E184 IonicContact NZ-OE2 3.38Å; K33-E184 PolarHBondContact NZ-OE2 2.83Å; K33-L274 HydrophobicContact CD-CB 4.39Å; K33-L274 VanDerWaalsContact CE-O 3.24Å; K33-L274 WeakPolarHBondContact CE-O 3.48Å; K33-L274 PolarHBondContact NZ-O 2.85Å; K33-L274 VanDerWaalsContact NZ-O 3.12Å; K33-L274 PolarHBondContact NZ-OXT 2.85Å
34	R	95.9	Very high	81.2	Confident	39 Å²	39	38.6 Å²	38.6	15%	0.147	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	119.7	178.7	-73.6	-173.2	-63.6	-94.1	-3.1	111.6	Q135 Y137 H179 R180 E182 L183 E184	R34-Q135 HydrophobicContact CG-CB 4.41Å; R34-Y137 HydrophobicContact CB-CE2 3.93Å; R34-Y137 WeakPolarHBondContact CD-OH 3.43Å; R34-Y137 HydrophobicContact CG-CE2 3.88Å; R34-H179 PolarHBondContact NH2-O 3.14Å; R34-R180 PolarHBondContact NE-O 2.75Å; R34-E182 WeakPolarHBondContact CB-O 3.39Å; R34-E182 PolarHBondContact NE-O 3.49Å; R34-E182 PolarHBondContact NH2-O 3.4Å; R34-L183 HydrophobicContact CB-CD2 4.31Å; R34-L183 CarbonylContact O-C 3.52Å; R34-L183 WeakPolarHBondContact O-CA 3.29Å; R34-E184 PolarHBondContact N-OE1 2.82Å; R34-E184 VanDerWaalsContact N-OE1 3.09Å; R34-E184 PolarHBondContact O-N 3.23Å
35	V	97.7	Very high	83.9	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	144.8	-178	175.4	0	0	0	0	110.3	V134 Q135 V136 Y137 G185 I187 F270 F271 L274	V35-V134 HydrophobicContact CB-CG1 4.31Å; V35-V134 HydrophobicContact CG2-CG1 4.04Å; V35-Q135 PolarHBondContact N-O 2.97Å; V35-V136 CarbonylContact O-C 3.57Å; V35-V136 VanDerWaalsContact O-CA 3.3Å; V35-V136 WeakPolarHBondContact O-CA 3.4Å; V35-Y137 WeakPolarHBondContact O-CD2 2.96Å; V35-Y137 PolarHBondContact O-N 3.42Å; V35-G185 WeakPolarHBondContact CA-O 3.47Å; V35-G185 WeakPolarHBondContact CG1-O 3.42Å; V35-I187 HydrophobicContact CG1-CD1 3.95Å; V35-I187 HydrophobicContact CG1-CG1 3.85Å; V35-F270 HydrophobicContact CG1-CE1 4.46Å; V35-F271 HydrophobicContact CB-CE1 4.15Å; V35-F271 HydrophobicContact CG1-CE1 4.04Å; V35-F271 HydrophobicContact CG2-CD1 4.24Å; V35-F271 HydrophobicContact CG2-CE1 3.8Å; V35-L274 HydrophobicContact CG2-CD1 3.41Å; V35-L274 VanDerWaalsContact CG2-CD1 3.41Å
36	S	98.4	Very high	86.4	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	145.7	171.6	64.2	0	0	0	0	111.9	E38 Y137 L183 G185 I186 I187	S36-E38 PolarHBondContact OG-OE1 3.35Å; S36-Y137 CarbonylContact C-O 3.52Å; S36-Y137 WeakPolarHBondContact CA-O 3.42Å; S36-L183 WeakPolarHBondContact OG-CD1 3.44Å; S36-G185 PolarHBondContact N-O 3.21Å; S36-I186 CarbonylContact O-C 3.57Å; S36-I186 WeakPolarHBondContact O-CA 3.46Å; S36-I187 PolarHBondContact O-N 3.05Å
37	I	98.6	Very high	88.9	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	114.2	165.2	-56	164	0	0	0	107.3	K45 F48 A49 L52 V136 Y137 R139 I187 L189	I37-K45 HydrophobicContact CG2-CB 4.31Å; I37-K45 HydrophobicContact CG2-CG 4.06Å; I37-F48 HydrophobicContact CD1-CD1 4.07Å; I37-F48 HydrophobicContact CG1-CD1 4.46Å; I37-F48 HydrophobicContact CG2-CD1 4.38Å; I37-A49 HydrophobicContact CD1-CB 3.84Å; I37-L52 HydrophobicContact CD1-CD1 3.97Å; I37-V136 HydrophobicContact CD1-CG1 3.54Å; I37-V136 HydrophobicContact CG1-CG1 3.58Å; I37-Y137 PolarHBondContact N-O 3.36Å; I37-R139 WeakPolarHBondContact O-CA 3.41Å; I37-R139 PolarHBondContact O-N 3.33Å; I37-I187 CarbonylContact C-O 3.52Å; I37-I187 WeakPolarHBondContact CA-O 3.23Å; I37-L189 HydrophobicContact CG2-CD1 3.79Å; I37-L189 HydrophobicContact CG2-CG 3.85Å
38	E	98.7	Very high	91.1	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	156.2	-179.4	-62.7	-64.5	176.6	0	0	111.5	S36 S140 S143 I186 I187 L189 W226 L227	S36-E38 PolarHBondContact OG-OE1 3.35Å; E38-S140 VanDerWaalsContact OE1-CB 3.29Å; E38-S140 WeakPolarHBondContact OE1-CB 3.39Å; E38-S140 PolarHBondContact OE1-N 3.31Å; E38-S140 PolarHBondContact OE1-OG 2.91Å; E38-S143 WeakPolarHBondContact OE1-CB 3.43Å; E38-S143 VanDerWaalsContact OE2-CB 3.23Å; E38-S143 WeakPolarHBondContact OE2-CB 3.31Å; E38-S143 PolarHBondContact OE2-OG 3.31Å; E38-I186 HydrophobicContact CB-CG2 3.93Å; E38-I186 HydrophobicContact CG-CG2 3.51Å; E38-I187 PolarHBondContact N-O 3.47Å; E38-L189 PolarHBondContact O-N 3.12Å; E38-W226 HydrophobicContact CG-CH2 4.08Å; E38-W226 HydrophobicContact CG-CZ3 4.04Å; E38-L227 HydrophobicContact CB-CD1 3.81Å; E38-L227 HydrophobicContact CG-CD1 4.47Å
39	G	98.3	Very high	93	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.132	C	C	.	.			trans	151.3	168.6	175.2	0	0	0	0	0	114	K45 H223	G39-K45 PolarHBondContact O-NZ 3.15Å; G39-H223 WeakPolarHBondContact CA-NE2 3.46Å; G39-H223 PolarHBondContact N-NE2 2.81Å; G39-H223 PolarHBondContact O-NE2 3.14Å
40	N	98.3	Very high	94.6	Very high	3 Å²	3	26.7 Å²	26.7	2%	0.016	14%	0.144	C	C	.	.			trans	-60.7	166.1	-172.2	-151.4	-13.2	0	0	0	112.9	A42 V43 K45 L216 L219	N40-A42 PolarHBondContact O-N 3.1Å; N40-V43 WeakPolarHBondContact O-CB 3.14Å; N40-V43 VanDerWaalsContact O-CG1 3.22Å; N40-V43 WeakPolarHBondContact O-CG1 3.43Å; N40-V43 PolarHBondContact O-N 3.2Å; N40-K45 PolarHBondContact O-NZ 2.94Å; N40-L216 PolarHBondContact ND2-O 3.27Å; N40-L219 WeakPolarHBondContact OD1-CB 3.33Å
41	V	96.7	Very high	96	Very high	8 Å²	8	23.6 Å²	23.6	5%	0.048	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	138.8	172.9	-176.2	0	0	0	0	109.2	V43 F148 C196 L200 L216 L219	V41-V43 PolarHBondContact O-N 3.24Å; V41-F148 HydrophobicContact CG2-CE1 4.42Å; V41-C196 WeakPolarHBondContact O-CB 3.41Å; V41-L200 HydrophobicContact CG1-CD1 3.88Å; V41-L216 HydrophobicContact CB-CD2 3.91Å; V41-L216 HydrophobicContact CG2-CD2 4.32Å; V41-L219 HydrophobicContact CG2-CD1 3.83Å
42	A	95.8	Very high	96.6	Very high	16 Å²	16	19.5 Å²	19.5	13%	0.132	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	10.3	-179	0	0	0	0	0	117.3	N40 G44 R199 L200	N40-A42 PolarHBondContact O-N 3.1Å; A42-G44 PolarHBondContact O-N 3.2Å; A42-G44 VanDerWaalsContact O-N 3.07Å; A42-R199 HydrophobicContact CB-CB 4.03Å; A42-R199 WeakPolarHBondContact O-CB 3.31Å; A42-R199 WeakPolarHBondContact O-CD 3.41Å; A42-L200 HydrophobicContact CB-CB 3.68Å; A42-L200 HydrophobicContact CB-CG 4.48Å
43	V	97.4	Very high	96.7	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.118	C	C	.	.	S	Bend	trans	-62.1	-19.7	178.3	73.9	0	0	0	0	113.9	N40 V41 K45 L189 A191 R199 A249	N40-V43 WeakPolarHBondContact O-CB 3.14Å; N40-V43 VanDerWaalsContact O-CG1 3.22Å; N40-V43 WeakPolarHBondContact O-CG1 3.43Å; N40-V43 PolarHBondContact O-N 3.2Å; V41-V43 PolarHBondContact O-N 3.24Å; V43-K45 HydrophobicContact CG1-CG 3.76Å; V43-L189 HydrophobicContact CG1-CB 4.07Å; V43-L189 HydrophobicContact CG2-CB 4.2Å; V43-L189 WeakPolarHBondContact CG2-O 3.47Å; V43-A191 HydrophobicContact CG2-CB 3.78Å; V43-R199 PolarHBondContact O-NH1 3.45Å; V43-A249 HydrophobicContact CG2-CB 3.77Å
44	G	96.7	Very high	96.7	Very high	14 Å²	14	24.8 Å²	24.8	14%	0.144	14%	0.14	C	C	.	.	S	Bend	trans	113	19.2	179.2	0	0	0	0	0	114.9	A42 S46 T47 F48	A42-G44 PolarHBondContact O-N 3.2Å; A42-G44 VanDerWaalsContact O-N 3.07Å; G44-S46 PolarHBondContact O-N 2.88Å; G44-T47 WeakPolarHBondContact O-CB 3.28Å; G44-T47 PolarHBondContact O-N 2.83Å; G44-T47 VanDerWaalsContact O-N 3.17Å; G44-F48 PolarHBondContact O-N 3.05Å
45	K	97.6	Very high	96.6	Very high	12 Å²	12	25.4 Å²	25.4	5%	0.052	15%	0.148	C	C	.	.	H	α-helix	trans	-49.9	-55.6	178.7	-65.9	-174.1	-67.3	-73.2	0	112.7	I37 G39 N40 V43 T47 F48 A49 R139 L189	I37-K45 HydrophobicContact CG2-CB 4.31Å; I37-K45 HydrophobicContact CG2-CG 4.06Å; G39-K45 PolarHBondContact O-NZ 3.15Å; N40-K45 PolarHBondContact O-NZ 2.94Å; V43-K45 HydrophobicContact CG1-CG 3.76Å; K45-T47 VanDerWaalsContact C-N 3.28Å; K45-T47 PolarHBondContact O-N 3.01Å; K45-F48 CarbonylContact O-C 3.59Å; K45-F48 PolarHBondContact O-N 2.83Å; K45-F48 VanDerWaalsContact O-N 3.1Å; K45-A49 VanDerWaalsContact O-CB 3.3Å; K45-A49 WeakPolarHBondContact O-CB 3.34Å; K45-A49 PolarHBondContact O-N 3.47Å; K45-R139 HydrophobicContact CD-CG 4.08Å; K45-L189 HydrophobicContact CG-CD1 4.31Å
46	S	95.7	Very high	96.3	Very high	45 Å²	45	26.5 Å²	26.5	32%	0.315	16%	0.156	S	C	.	.	H	α-helix	trans	-67.5	-28.2	-177.5	-35.4	0	0	0	0	113.5	G44 K50 E138	G44-S46 PolarHBondContact O-N 2.88Å; S46-K50 VanDerWaalsContact O-CG 3.27Å; S46-K50 WeakPolarHBondContact O-CG 3.19Å; S46-K50 PolarHBondContact O-N 3.16Å; S46-K50 VanDerWaalsContact O-N 3.1Å; S46-E138 WeakPolarHBondContact CA-OE1 3.25Å; S46-E138 WeakPolarHBondContact CB-OE1 3.4Å; S46-E138 WeakPolarHBondContact CB-OE2 3.27Å; S46-E138 PolarHBondContact OG-OE1 2.88Å; S46-E138 PolarHBondContact OG-OE2 2.93Å
47	T	95.9	Very high	96	Very high	73 Å²	73	31.7 Å²	31.7	45%	0.448	19%	0.187	S	C	.	.	H	α-helix	trans	-66	-46.8	171	-55.1	0	0	0	0	110.6	G44 K45 K50 L51 F253 N254	G44-T47 WeakPolarHBondContact O-CB 3.28Å; G44-T47 PolarHBondContact O-N 2.83Å; G44-T47 VanDerWaalsContact O-N 3.17Å; K45-T47 VanDerWaalsContact C-N 3.28Å; K45-T47 PolarHBondContact O-N 3.01Å; T47-K50 PolarHBondContact O-N 2.88Å; T47-L51 PolarHBondContact O-N 2.66Å; T47-L51 VanDerWaalsContact O-N 3.13Å; T47-F253 HydrophobicContact CG2-CE2 4.08Å; T47-N254 HydrophobicContact CG2-CB 3.91Å
48	F	97.5	Very high	95.7	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-67.7	-38.7	178.2	-169.6	-113.6	0	0	0	112.4	I37 G44 K45 K50 L51 L52 I187 L189 L247 F253 F263 V267	I37-F48 HydrophobicContact CD1-CD1 4.07Å; I37-F48 HydrophobicContact CG1-CD1 4.46Å; I37-F48 HydrophobicContact CG2-CD1 4.38Å; G44-F48 PolarHBondContact O-N 3.05Å; K45-F48 CarbonylContact O-C 3.59Å; K45-F48 PolarHBondContact O-N 2.83Å; K45-F48 VanDerWaalsContact O-N 3.1Å; F48-K50 PolarHBondContact O-N 2.65Å; F48-L51 HydrophobicContact CD2-CD2 4.11Å; F48-L51 HydrophobicContact CE2-CD2 4.17Å; F48-L51 WeakPolarHBondContact O-CB 3.37Å; F48-L51 PolarHBondContact O-N 3.2Å; F48-L51 VanDerWaalsContact O-N 3.12Å; F48-L52 HydrophobicContact CD1-CD1 4.14Å; F48-L52 HydrophobicContact CD1-CG 4.29Å; F48-L52 HydrophobicContact CE1-CD1 3.83Å; F48-L52 HydrophobicContact CE1-CD2 4.1Å; F48-L52 HydrophobicContact CE1-CG 3.99Å; F48-L52 HydrophobicContact CZ-CD2 3.99Å; F48-L52 HydrophobicContact CZ-CG 4.29Å; F48-L52 PolarHBondContact O-N 2.76Å; F48-I187 HydrophobicContact CE1-CG2 4.05Å; F48-L189 HydrophobicContact CB-CD1 3.73Å; F48-L189 HydrophobicContact CD1-CD1 4.17Å; F48-L189 HydrophobicContact CD1-CD2 4.01Å; F48-L189 HydrophobicContact CE1-CD2 4.3Å; F48-L189 HydrophobicContact CG-CD1 4.08Å; F48-L189 HydrophobicContact CG-CD2 4.21Å; F48-L247 HydrophobicContact CE1-CD1 3.94Å; F48-L247 HydrophobicContact CE2-CD1 4.14Å; F48-L247 HydrophobicContact CZ-CD1 3.48Å; F48-L247 VanDerWaalsContact CZ-CD1 3.48Å; F48-F253 HydrophobicContact CB-CE2 3.82Å; F48-F253 HydrophobicContact CB-CZ 4.22Å; F48-F253 HydrophobicContact CD2-CD2 4.13Å; F48-F253 HydrophobicContact CD2-CE2 4.05Å; F48-F253 HydrophobicContact CG-CE2 4.41Å; F48-F263 HydrophobicContact CD2-CD2 4.4Å; F48-F263 HydrophobicContact CE2-CB 3.97Å; F48-F263 AromaticContact CE2-CD2 3.86Å; F48-F263 HydrophobicContact CE2-CD2 3.86Å; F48-F263 HydrophobicContact CE2-CG 4.43Å; F48-F263 HydrophobicContact CZ-CB 4.44Å; F48-V267 HydrophobicContact CE1-CG2 4.3Å; F48-V267 HydrophobicContact CZ-CG2 3.85Å
49	A	95.9	Very high	95.6	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-60.9	-44.4	176.8	0	0	0	0	0	111	I37 K45 L51 L52 Q53 V61 E138	I37-A49 HydrophobicContact CD1-CB 3.84Å; K45-A49 VanDerWaalsContact O-CB 3.3Å; K45-A49 WeakPolarHBondContact O-CB 3.34Å; K45-A49 PolarHBondContact O-N 3.47Å; A49-L51 VanDerWaalsContact C-N 3.33Å; A49-L51 PolarHBondContact O-N 2.8Å; A49-L52 PolarHBondContact O-N 2.98Å; A49-Q53 PolarHBondContact O-N 3.48Å; A49-V61 HydrophobicContact CB-CG1 3.56Å; A49-V61 WeakPolarHBondContact O-CG2 3.46Å; A49-E138 HydrophobicContact CB-CG 3.87Å; A49-E138 WeakPolarHBondContact CB-OE1 3.31Å
50	K	94.9	Very high	95.4	Very high	133 Å²	133	35.4 Å²	35.4	58%	0.578	21%	0.205	S	C	*	.	H	α-helix	trans	-61.1	-39.4	172.3	-73	174	-176.8	-176.4	0	112.7	S46 T47 F48 Q53 S54	S46-K50 VanDerWaalsContact O-CG 3.27Å; S46-K50 WeakPolarHBondContact O-CG 3.19Å; S46-K50 PolarHBondContact O-N 3.16Å; S46-K50 VanDerWaalsContact O-N 3.1Å; T47-K50 PolarHBondContact O-N 2.88Å; F48-K50 PolarHBondContact O-N 2.65Å; K50-Q53 PolarHBondContact O-N 3.28Å; K50-S54 PolarHBondContact O-N 3.42Å; K50-S54 VanDerWaalsContact O-N 3.12Å
51	L	95.8	Very high	95.3	Very high	25 Å²	25	36 Å²	36	13%	0.131	21%	0.208	C	C	.	.	H	α-helix	trans	-60.9	-49.3	175	177.7	66.2	0	0	0	111	T47 F48 A49 Q53 S54 V55 Q260 I264	T47-L51 PolarHBondContact O-N 2.66Å; T47-L51 VanDerWaalsContact O-N 3.13Å; F48-L51 HydrophobicContact CD2-CD2 4.11Å; F48-L51 HydrophobicContact CE2-CD2 4.17Å; F48-L51 WeakPolarHBondContact O-CB 3.37Å; F48-L51 PolarHBondContact O-N 3.2Å; F48-L51 VanDerWaalsContact O-N 3.12Å; A49-L51 VanDerWaalsContact C-N 3.33Å; A49-L51 PolarHBondContact O-N 2.8Å; L51-Q53 VanDerWaalsContact C-N 3.32Å; L51-Q53 PolarHBondContact O-N 3.12Å; L51-S54 PolarHBondContact O-N 2.77Å; L51-S54 VanDerWaalsContact O-N 3.13Å; L51-S54 PolarHBondContact O-OG 2.91Å; L51-V55 WeakPolarHBondContact O-CG2 3.36Å; L51-V55 PolarHBondContact O-N 3.38Å; L51-Q260 HydrophobicContact CD1-CB 4.36Å; L51-Q260 HydrophobicContact CD1-CG 4.29Å; L51-Q260 HydrophobicContact CD2-CB 4.01Å; L51-Q260 HydrophobicContact CD2-CG 3.82Å; L51-I264 HydrophobicContact CD2-CD1 4.27Å; L51-I264 HydrophobicContact CD2-CG1 4.39Å; L51-I264 HydrophobicContact CG-CD1 4.14Å; L51-I264 HydrophobicContact CG-CG1 4.47Å
52	L	95.9	Very high	95.2	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-57.3	-45.3	176	-66.1	-178.3	0	0	0	111.9	I37 F48 A49 S54 V55 W59 V61 V136 I187 I264 V267	I37-L52 HydrophobicContact CD1-CD1 3.97Å; F48-L52 HydrophobicContact CD1-CD1 4.14Å; F48-L52 HydrophobicContact CD1-CG 4.29Å; F48-L52 HydrophobicContact CE1-CD1 3.83Å; F48-L52 HydrophobicContact CE1-CD2 4.1Å; F48-L52 HydrophobicContact CE1-CG 3.99Å; F48-L52 HydrophobicContact CZ-CD2 3.99Å; F48-L52 HydrophobicContact CZ-CG 4.29Å; F48-L52 PolarHBondContact O-N 2.76Å; A49-L52 PolarHBondContact O-N 2.98Å; L52-S54 PolarHBondContact O-N 3.43Å; L52-V55 PolarHBondContact O-N 3.33Å; L52-V55 VanDerWaalsContact O-N 3.11Å; L52-W59 HydrophobicContact CB-CE3 4.06Å; L52-W59 HydrophobicContact CB-CZ3 4.4Å; L52-W59 HydrophobicContact CD2-CE3 4.13Å; L52-W59 HydrophobicContact CD2-CZ3 3.68Å; L52-V61 HydrophobicContact CB-CG2 4.35Å; L52-V136 HydrophobicContact CD1-CG1 3.95Å; L52-V136 HydrophobicContact CD1-CG2 4.41Å; L52-I187 HydrophobicContact CD1-CD1 4.45Å; L52-I264 HydrophobicContact CD2-CD1 3.59Å; L52-V267 HydrophobicContact CD2-CB 4.38Å; L52-V267 HydrophobicContact CD2-CG1 3.89Å; L52-V267 HydrophobicContact CD2-CG2 4.3Å
53	Q	94.2	Very high	95.1	Very high	62 Å²	62	40.7 Å²	40.7	29%	0.29	23%	0.227	S	C	.	.	H	α-helix	trans	-60.5	-32	179.7	-170.3	57.3	78.3	0	0	112.8	A49 K50 L51 W59 V61	A49-Q53 PolarHBondContact O-N 3.48Å; K50-Q53 PolarHBondContact O-N 3.28Å; L51-Q53 VanDerWaalsContact C-N 3.32Å; L51-Q53 PolarHBondContact O-N 3.12Å; Q53-W59 PolarHBondContact NE2-O 3.19Å; Q53-W59 PolarHBondContact OE1-O 2.81Å; Q53-V61 HydrophobicContact CB-CB 4.23Å; Q53-V61 HydrophobicContact CB-CG2 3.85Å
54	S	94.3	Very high	94.8	Very high	90 Å²	90	42.1 Å²	42.1	63%	0.629	23%	0.234	S	C	*	.	H	α-helix	trans	-76.3	-20	179	74.5	0	0	0	0	114.2	K50 L51 L52	K50-S54 PolarHBondContact O-N 3.42Å; K50-S54 VanDerWaalsContact O-N 3.12Å; L51-S54 PolarHBondContact O-N 2.77Å; L51-S54 VanDerWaalsContact O-N 3.13Å; L51-S54 PolarHBondContact O-OG 2.91Å; L52-S54 PolarHBondContact O-N 3.43Å
55	V	94.1	Very high	94.5	Very high	52 Å²	52	42.1 Å²	42.1	32%	0.315	23%	0.231	S	C	.	.	H	α-helix	trans	-87	-34.5	-172	165.8	0	0	0	0	112.7	L51 L52 W59 I264	L51-V55 WeakPolarHBondContact O-CG2 3.36Å; L51-V55 PolarHBondContact O-N 3.38Å; L52-V55 PolarHBondContact O-N 3.33Å; L52-V55 VanDerWaalsContact O-N 3.11Å; V55-W59 HydrophobicContact CB-CZ3 4.15Å; V55-W59 HydrophobicContact CG1-CH2 4.2Å; V55-W59 HydrophobicContact CG1-CZ3 3.86Å; V55-I264 HydrophobicContact CB-CD1 4.44Å; V55-I264 HydrophobicContact CG1-CG2 3.71Å; V55-I264 HydrophobicContact CG2-CD1 3.76Å; V55-I264 HydrophobicContact CG2-CG1 3.89Å; V55-I264 HydrophobicContact CG2-CG2 4.28Å
56	S	92.6	Very high	94.2	Very high	24 Å²	24	42.3 Å²	42.3	17%	0.168	23%	0.233	C	C	.	.			trans	-145.7	134	-176.6	-178.9	0	0	0	0	112.2	D58 W59	S56-D58 PolarHBondContact O-N 3.07Å; S56-D58 WeakPolarHBondContact OG-CB 3.5Å; S56-D58 PolarHBondContact OG-N 2.79Å; S56-W59 PolarHBondContact O-N 2.89Å
57	T	91	Very high	94	Very high	108 Å²	108	42 Å²	42	66%	0.663	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-0.8	169.4	54.9	0	0	0	0	113	R125	T57-R125 PolarHBondContact O-NH1 3.23Å
58	D	93.3	Very high	93.8	Very high	24 Å²	24	43.5 Å²	43.5	13%	0.128	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	2.4	174.5	-55.1	-49.1	0	0	0	112.2	S56 L126 T129 E131 P133 V134	S56-D58 PolarHBondContact O-N 3.07Å; S56-D58 WeakPolarHBondContact OG-CB 3.5Å; S56-D58 PolarHBondContact OG-N 2.79Å; D58-L126 WeakPolarHBondContact O-CD2 3.29Å; D58-T129 HydrophobicContact CB-CG2 4.27Å; D58-T129 WeakPolarHBondContact OD1-CB 2.99Å; D58-T129 PolarHBondContact OD1-OG1 2.88Å; D58-T129 PolarHBondContact OD2-OG1 3.3Å; D58-E131 HydrophobicContact CB-CB 4.38Å; D58-E131 WeakPolarHBondContact OD2-CB 3.46Å; D58-E131 WeakPolarHBondContact OD2-CG 3.32Å; D58-P133 WeakPolarHBondContact O-CA 3.32Å; D58-V134 PolarHBondContact O-N 2.92Å
59	W	94.9	Very high	93.7	Very high	15 Å²	15	43.9 Å²	43.9	6%	0.057	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	132.5	171.7	-55.9	-16.8	0	0	0	109.2	L52 Q53 V55 S56 R125 V134 V267 K268 F271	L52-W59 HydrophobicContact CB-CE3 4.06Å; L52-W59 HydrophobicContact CB-CZ3 4.4Å; L52-W59 HydrophobicContact CD2-CE3 4.13Å; L52-W59 HydrophobicContact CD2-CZ3 3.68Å; Q53-W59 PolarHBondContact NE2-O 3.19Å; Q53-W59 PolarHBondContact OE1-O 2.81Å; V55-W59 HydrophobicContact CB-CZ3 4.15Å; V55-W59 HydrophobicContact CG1-CH2 4.2Å; V55-W59 HydrophobicContact CG1-CZ3 3.86Å; S56-W59 PolarHBondContact O-N 2.89Å; W59-R125 PolarHBondContact O-NH1 2.75Å; W59-R125 PolarHBondContact O-NH2 2.82Å; W59-V134 CarbonylContact C-O 3.55Å; W59-V134 VanDerWaalsContact CA-O 3.31Å; W59-V134 WeakPolarHBondContact CA-O 3.21Å; W59-V267 HydrophobicContact CH2-CG1 4Å; W59-V267 HydrophobicContact CZ3-CG1 4.33Å; W59-K268 HydrophobicContact CH2-CG 3.78Å; W59-K268 HydrophobicContact CZ2-CG 3.95Å; W59-F271 HydrophobicContact CD2-CD2 4.37Å; W59-F271 AromaticContact CD2-CE2 3.86Å; W59-F271 HydrophobicContact CD2-CE2 3.86Å; W59-F271 AromaticContact CE2-CD2 3.56Å; W59-F271 AromaticContact CE2-CE2 3.52Å; W59-F271 HydrophobicContact CE3-CE2 4.32Å; W59-F271 HydrophobicContact CG-CE2 4.31Å; W59-F271 HydrophobicContact CH2-CD2 4.3Å; W59-F271 HydrophobicContact CH2-CE2 4.17Å; W59-F271 AromaticContact CZ2-CD2 3.53Å; W59-F271 HydrophobicContact CZ2-CD2 3.53Å; W59-F271 AromaticContact CZ2-CE2 3.7Å; W59-F271 HydrophobicContact CZ2-CE2 3.7Å; W59-F271 HydrophobicContact CZ3-CE2 4.46Å; W59-F271 AromaticContact NE1-CD2 3.62Å; W59-F271 AromaticContact NE1-CE2 3.78Å
60	E	95.6	Very high	93.5	Very high	40 Å²	40	46 Å²	46	19%	0.187	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	118.1	174.2	174.6	66.5	-132	0	0	108.6	M62 P123 R125 L126 V134 Q135 V136	E60-M62 HydrophobicContact CG-CE 4.47Å; E60-P123 HydrophobicContact CG-CG 4.26Å; E60-R125 IonicContact OE2-CZ 2.7Å; E60-R125 VanDerWaalsContact OE2-CZ 3.24Å; E60-R125 IonicContact OE2-NE 2.75Å; E60-R125 IonicContact OE2-NH2 3.24Å; E60-R125 PolarHBondContact OE2-NH2 3.34Å; E60-L126 HydrophobicContact CB-CD1 3.32Å; E60-L126 HydrophobicContact CB-CG 4.21Å; E60-L126 HydrophobicContact CG-CD1 4.28Å; E60-V134 PolarHBondContact N-O 3.23Å; E60-Q135 HydrophobicContact CB-CG 4.25Å; E60-Q135 CarbonylContact O-C 3.51Å; E60-Q135 WeakPolarHBondContact O-CA 3.3Å; E60-V136 PolarHBondContact O-N 3.1Å
61	V	95.3	Very high	93.4	Very high	15 Å²	15	43.2 Å²	43.2	9%	0.091	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	116.2	-176.8	173.8	0	0	0	0	110.4	A49 L52 Q53 Q63 V136	A49-V61 HydrophobicContact CB-CG1 3.56Å; A49-V61 WeakPolarHBondContact O-CG2 3.46Å; L52-V61 HydrophobicContact CB-CG2 4.35Å; Q53-V61 HydrophobicContact CB-CB 4.23Å; Q53-V61 HydrophobicContact CB-CG2 3.85Å; V61-Q63 HydrophobicContact CG1-CG 4.41Å; V61-V136 CarbonylContact C-O 3.6Å; V61-V136 WeakPolarHBondContact CA-O 3.48Å; V61-V136 HydrophobicContact CG2-CB 4.26Å
62	M	94.9	Very high	93	Very high	21 Å²	21	43.4 Å²	43.4	10%	0.103	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	102.2	177.9	-67.7	-73.1	-156.4	0	0	109.5	E60 I117 Q120 V136 Y137 E138	E60-M62 HydrophobicContact CG-CE 4.47Å; M62-I117 HydrophobicContact CB-CG2 3.82Å; M62-I117 HydrophobicContact CG-CG2 4.16Å; M62-I117 HydrophobicContact SD-CG2 3.82Å; M62-Q120 HydrophobicContact CE-CB 4.17Å; M62-V136 PolarHBondContact N-O 2.8Å; M62-Y137 HydrophobicContact CB-CD1 3.48Å; M62-Y137 VanDerWaalsContact CB-CD1 3.48Å; M62-Y137 HydrophobicContact CB-CE1 3.94Å; M62-Y137 HydrophobicContact CB-CG 4.42Å; M62-Y137 HydrophobicContact CG-CD1 3.83Å; M62-Y137 HydrophobicContact CG-CE1 3.73Å; M62-E138 PolarHBondContact O-N 2.96Å
63	Q	92.9	Very high	92.4	Very high	102 Å²	102	49.4 Å²	49.4	48%	0.477	27%	0.27	S	S	.	.			trans	-72.7	156.9	-178.5	-61.5	-170.9	-9.9	0	0	112.7	V61 E138	V61-Q63 HydrophobicContact CG1-CG 4.41Å; Q63-E138 WeakPolarHBondContact CG-OE1 3.47Å
64	E	90.9	Very high	91.6	Very high	30 Å²	30	52 Å²	52	14%	0.14	28%	0.284	C	S	.	.			trans	-67.2	133.8	175.4	-177.2	167.1	-113.6	0	0	110.8	V66 W69 R114 E138 R139	E64-V66 HydrophobicContact CB-CG2 4.32Å; E64-V66 HydrophobicContact CG-CG2 3.89Å; E64-V66 PolarHBondContact O-N 3.24Å; E64-W69 HydrophobicContact CG-CH2 3.3Å; E64-W69 HydrophobicContact CG-CZ2 3.87Å; E64-W69 HydrophobicContact CG-CZ3 3.79Å; E64-W69 VanDerWaalsContact OE1-CH2 3.23Å; E64-W69 WeakPolarHBondContact OE1-CH2 3.25Å; E64-R114 IonicContact OE1-CZ 2.95Å; E64-R114 IonicContact OE1-NH1 3.11Å; E64-R114 PolarHBondContact OE1-NH1 3.47Å; E64-R114 VanDerWaalsContact OE1-NH1 3.11Å; E64-R114 IonicContact OE1-NH2 3.99Å; E64-R114 PolarHBondContact OE1-NH2 2.78Å; E64-E138 HydrophobicContact CB-CB 4.14Å; E64-R139 WeakPolarHBondContact OE1-CD 3.41Å; E64-R139 IonicContact OE1-CZ 2.63Å; E64-R139 IonicContact OE1-NE 2.76Å; E64-R139 IonicContact OE1-NH1 3.97Å; E64-R139 PolarHBondContact OE1-NH1 3.32Å; E64-R139 IonicContact OE2-CZ 2.74Å; E64-R139 IonicContact OE2-NH1 3.74Å; E64-R139 PolarHBondContact OE2-NH1 3.29Å
65	P	91.9	Very high	90.4	Very high	13 Å²	13	57.1 Å²	57.1	8%	0.084	30%	0.295	C	S	.	.			trans	-79.2	47.4	-173.5	31.4	-35	0	0	0	113.8	G67 K68 W69 S113 I117	P65-G67 PolarHBondContact O-N 3.12Å; P65-G67 VanDerWaalsContact O-N 3.17Å; P65-K68 HydrophobicContact CB-CB 4.27Å; P65-K68 HydrophobicContact CB-CD 4.03Å; P65-K68 HydrophobicContact CB-CG 4.15Å; P65-K68 WeakPolarHBondContact O-CB 3.44Å; P65-K68 PolarHBondContact O-N 2.92Å; P65-W69 HydrophobicContact CG-CZ2 3.99Å; P65-W69 PolarHBondContact O-N 3.11Å; P65-S113 WeakPolarHBondContact CG-OG 3.36Å; P65-I117 HydrophobicContact CB-CD1 3.68Å; P65-I117 HydrophobicContact CG-CD1 3.71Å
66	V	91.5	Very high	88.7	Confident	16 Å²	16	58.1 Å²	58.1	10%	0.097	32%	0.316	C	S	.	.	H	α-helix	trans	-56.2	-38.2	-176.8	-176.4	0	0	0	0	112.1	E64 K68 W69 Q70 L92	E64-V66 HydrophobicContact CB-CG2 4.32Å; E64-V66 HydrophobicContact CG-CG2 3.89Å; E64-V66 PolarHBondContact O-N 3.24Å; V66-K68 PolarHBondContact O-N 3.01Å; V66-W69 HydrophobicContact CB-CE3 4.31Å; V66-W69 HydrophobicContact CG1-CE3 4.37Å; V66-W69 HydrophobicContact CG2-CE3 4.09Å; V66-W69 HydrophobicContact CG2-CZ3 4.04Å; V66-W69 WeakPolarHBondContact O-CA 3.48Å; V66-W69 WeakPolarHBondContact O-CB 3.45Å; V66-W69 PolarHBondContact O-N 3.37Å; V66-Q70 HydrophobicContact CG1-CG 4.21Å; V66-Q70 WeakPolarHBondContact O-CG 3.39Å; V66-Q70 PolarHBondContact O-N 3.49Å; V66-L92 HydrophobicContact CG1-CD2 3.98Å
67	G	91.6	Very high	86.7	Confident	40 Å²	40	61.6 Å²	61.6	41%	0.412	34%	0.34	S	S	.	.	H	α-helix	trans	-59.4	-30.5	176.7	0	0	0	0	0	113.7	P65 W69 N71	P65-G67 PolarHBondContact O-N 3.12Å; P65-G67 VanDerWaalsContact O-N 3.17Å; G67-W69 VanDerWaalsContact C-N 3.34Å; G67-N71 WeakPolarHBondContact O-CB 3.36Å; G67-N71 PolarHBondContact O-N 3.24Å; G67-N71 VanDerWaalsContact O-N 3.08Å; G67-N71 PolarHBondContact O-ND2 3.3Å
68	K	91.8	Very high	84.8	Confident	103 Å²	103	65.5 Å²	65.5	45%	0.448	35%	0.348	S	S	.	.	H	α-helix	trans	-74.1	-26.5	173.8	-62.9	-171.2	177.8	175.6	0	112.5	P65 V66 N71 I72	P65-K68 HydrophobicContact CB-CB 4.27Å; P65-K68 HydrophobicContact CB-CD 4.03Å; P65-K68 HydrophobicContact CB-CG 4.15Å; P65-K68 WeakPolarHBondContact O-CB 3.44Å; P65-K68 PolarHBondContact O-N 2.92Å; V66-K68 PolarHBondContact O-N 3.01Å; K68-N71 CarbonylContact O-C 3.53Å; K68-I72 WeakPolarHBondContact O-CD1 3.34Å
69	W	94.3	Very high	82.5	Confident	8 Å²	8	72.4 Å²	72.4	3%	0.03	38%	0.38	C	S	.	.	H	α-helix	trans	-80.1	-30.2	177.2	-50.7	-20.9	0	0	0	111.4	E64 P65 V66 G67 L91 L92 F106 Y109 S113	E64-W69 HydrophobicContact CG-CH2 3.3Å; E64-W69 HydrophobicContact CG-CZ2 3.87Å; E64-W69 HydrophobicContact CG-CZ3 3.79Å; E64-W69 VanDerWaalsContact OE1-CH2 3.23Å; E64-W69 WeakPolarHBondContact OE1-CH2 3.25Å; P65-W69 HydrophobicContact CG-CZ2 3.99Å; P65-W69 PolarHBondContact O-N 3.11Å; V66-W69 HydrophobicContact CB-CE3 4.31Å; V66-W69 HydrophobicContact CG1-CE3 4.37Å; V66-W69 HydrophobicContact CG2-CE3 4.09Å; V66-W69 HydrophobicContact CG2-CZ3 4.04Å; V66-W69 WeakPolarHBondContact O-CA 3.48Å; V66-W69 WeakPolarHBondContact O-CB 3.45Å; V66-W69 PolarHBondContact O-N 3.37Å; G67-W69 VanDerWaalsContact C-N 3.34Å; W69-L91 PolarHBondContact O-N 3.24Å; W69-L92 HydrophobicContact CB-CB 4.31Å; W69-L92 PolarHBondContact O-N 3.42Å; W69-F106 HydrophobicContact CB-CE2 4.2Å; W69-F106 HydrophobicContact CD2-CE2 4.23Å; W69-F106 HydrophobicContact CD2-CZ 4.29Å; W69-F106 HydrophobicContact CE3-CE2 4.08Å; W69-F106 AromaticContact CE3-CZ 3.82Å; W69-F106 HydrophobicContact CE3-CZ 3.82Å; W69-F106 HydrophobicContact CG-CE2 4.32Å; W69-F106 HydrophobicContact CZ3-CZ 4.07Å; W69-Y109 AromaticContact CD1-CD1 3.82Å; W69-Y109 AromaticContact CD1-CE1 3.79Å; W69-S113 PolarHBondContact NE1-OG 3.35Å
70	Q	92.4	Very high	80.1	Confident	46 Å²	46	78 Å²	78	22%	0.215	41%	0.409	C	S	.	.	H	α-helix	trans	-76.7	-26.1	174	-66.1	175.9	-57.7	0	0	112.6	V66 N90 L92 E207	V66-Q70 HydrophobicContact CG1-CG 4.21Å; V66-Q70 WeakPolarHBondContact O-CG 3.39Å; V66-Q70 PolarHBondContact O-N 3.49Å; Q70-N90 WeakPolarHBondContact CA-OD1 3.24Å; Q70-N90 WeakPolarHBondContact O-CA 3.48Å; Q70-N90 WeakPolarHBondContact O-CB 3.4Å; Q70-L92 HydrophobicContact CG-CD2 4.35Å; Q70-E207 WeakPolarHBondContact CG-OE1 3.38Å; Q70-E207 PolarHBondContact NE2-OE1 2.86Å
71	N	91.4	Very high	77.7	Confident	73 Å²	73	83.7 Å²	83.7	39%	0.39	44%	0.441	S	S	.	.	S	Bend	trans	-130.9	81.7	-176.4	-54.9	-80.2	0	0	0	111.1	G67 K68 T87	G67-N71 WeakPolarHBondContact O-CB 3.36Å; G67-N71 PolarHBondContact O-N 3.24Å; G67-N71 VanDerWaalsContact O-N 3.08Å; G67-N71 PolarHBondContact O-ND2 3.3Å; K68-N71 CarbonylContact O-C 3.53Å; N71-T87 HydrophobicContact CB-CG2 4.08Å; N71-T87 PolarHBondContact OD1-OG1 2.68Å
72	I	88.1	Confident	75.2	Confident	30 Å²	30	87.2 Å²	87.2	15%	0.154	47%	0.471	C	S	.	.	B	Isolated β-bridge	trans	-75.9	130.2	172.4	-56.9	-66.6	0	0	0	109	K68 V88 S89 L91 Y109	K68-I72 WeakPolarHBondContact O-CD1 3.34Å; I72-V88 VanDerWaalsContact O-CB 3.27Å; I72-V88 WeakPolarHBondContact O-CB 3.33Å; I72-V88 PolarHBondContact O-N 2.58Å; I72-S89 PolarHBondContact N-O 3.29Å; I72-L91 HydrophobicContact CD1-CB 4.2Å; I72-L91 HydrophobicContact CD1-CD2 4.32Å; I72-L91 HydrophobicContact CG1-CB 3.9Å; I72-Y109 HydrophobicContact CD1-CD1 3.68Å; I72-Y109 HydrophobicContact CD1-CE1 3.16Å; I72-Y109 HydrophobicContact CD1-CE2 4.13Å; I72-Y109 HydrophobicContact CD1-CG 4.35Å; I72-Y109 VanDerWaalsContact CD1-CZ 3.41Å
73	E	83.9	Confident	72.9	Confident	126 Å²	126	90.3 Å²	90.3	59%	0.589	50%	0.495	S	S	*	.			trans	-117.3	140.8	179.2	-63.8	174.3	-177.5	0	0	110.8
74	I	76.3	Confident	70.8	Confident	116 Å²	116	90.9 Å²	90.9	60%	0.595	51%	0.508	S	S	*	.			trans	-82.5	122	167.4	-73.8	154.5	0	0	0	108.6	V88	I74-V88 HydrophobicContact CB-CG2 4.22Å; I74-V88 HydrophobicContact CD1-CG1 4.07Å; I74-V88 HydrophobicContact CD1-CG2 3.65Å; I74-V88 HydrophobicContact CG1-CG2 3.75Å
75	K	69.3	Low	69	Low	198 Å²	198	97.5 Å²	97.5	86%	0.861	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	122.9	172.8	-66.7	-172.7	177.2	-171.9	0	109.8
76	G	59.5	Low	67.3	Low	73 Å²	73	100.4 Å²	100.4	75%	0.753	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	109.5	10.4	166.1	0	0	0	0	0	117.1	K78	G76-K78 PolarHBondContact O-N 3.13Å
77	S	50.1	Low	65.9	Low	96 Å²	96	102.8 Å²	102.8	67%	0.671	58%	0.579	S	S	*	*			trans	-73.3	76.1	166.8	59.7	0	0	0	0	110.2
78	K	51.6	Low	65	Low	190 Å²	190	104.5 Å²	104.5	83%	0.826	58%	0.581	S	S	*	*			trans	-79.6	128.1	154	-74.6	-175	174	-175.8	0	106.4	G76	G76-K78 PolarHBondContact O-N 3.13Å
79	E	44.9	Very low	64.7	Low	169 Å²	169	101.3 Å²	101.3	79%	0.79	57%	0.571	S	S	*	*			trans	82.2	133.4	170.7	-62.6	-176.9	-161.6	0	0	115.5
80	I	43.4	Very low	64.6	Low	133 Å²	133	102.3 Å²	102.3	68%	0.682	58%	0.577	S	S	*	*	S	Bend	cis	-139.9	140.4	10	-74.8	106.2	0	0	0	106.6
81	D	45.3	Very low	64.8	Low	160 Å²	160	100.5 Å²	100.5	86%	0.856	57%	0.569	S	S	*	*	S	Bend	trans	66.3	30.1	173.7	-57.4	-21.8	0	0	0	119.1	S83	D81-S83 PolarHBondContact O-N 3.12Å
82	A	44.2	Very low	65	Low	88 Å²	88	97.3 Å²	97.3	73%	0.727	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-79.6	123.1	179.3	0	0	0	0	0	113.4
83	S	45.1	Very low	65.4	Low	86 Å²	86	99.4 Å²	99.4	60%	0.601	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-53.3	147.9	154.1	65.5	0	0	0	0	109.9	D81 Q85	D81-S83 PolarHBondContact O-N 3.12Å; S83-Q85 PolarHBondContact O-N 3.46Å
84	P	49.3	Very low	66	Low	115 Å²	115	95.3 Å²	95.3	75%	0.747	54%	0.542	S	S	*	.	S	Bend	trans	-62.2	124.2	-172.7	25.7	-32	0	0	0	110.8
85	Q	53	Low	67	Low	169 Å²	169	90 Å²	90	79%	0.79	52%	0.515	S	S	*	.			trans	56.6	73.1	166.8	-67.7	148.4	-18	0	0	115.1	S83 T87	S83-Q85 PolarHBondContact O-N 3.46Å; Q85-T87 PolarHBondContact O-N 3.36Å
86	A	56.1	Low	68.3	Low	73 Å²	73	83.1 Å²	83.1	60%	0.603	48%	0.484	S	S	*	.			trans	-73.3	107.5	170.5	0	0	0	0	0	110.7	V88	A86-V88 PolarHBondContact O-N 3.13Å
87	T	62.6	Low	70	Confident	67 Å²	67	86.3 Å²	86.3	41%	0.411	48%	0.479	S	S	.	.			trans	-53.5	123.3	163	-66.5	0	0	0	0	108.8	N71 Q85	N71-T87 HydrophobicContact CB-CG2 4.08Å; N71-T87 PolarHBondContact OD1-OG1 2.68Å; Q85-T87 PolarHBondContact O-N 3.36Å
88	V	72.3	Confident	72.3	Confident	75 Å²	75	85.1 Å²	85.1	46%	0.455	47%	0.465	S	S	.	.			trans	-77.4	-43.5	-177.2	179.4	0	0	0	0	110.2	I72 I74 A86	I72-V88 VanDerWaalsContact O-CB 3.27Å; I72-V88 WeakPolarHBondContact O-CB 3.33Å; I72-V88 PolarHBondContact O-N 2.58Å; I74-V88 HydrophobicContact CB-CG2 4.22Å; I74-V88 HydrophobicContact CD1-CG1 4.07Å; I74-V88 HydrophobicContact CD1-CG2 3.65Å; I74-V88 HydrophobicContact CG1-CG2 3.75Å; A86-V88 PolarHBondContact O-N 3.13Å
89	S	84.9	Confident	74.5	Confident	36 Å²	36	78 Å²	78	25%	0.252	44%	0.439	S	S	.	.	B	Isolated β-bridge	trans	-166.4	158.9	178.1	63.3	0	0	0	0	113.5	I72 M94	I72-S89 PolarHBondContact N-O 3.29Å; S89-M94 VanDerWaalsContact CB-SD 3.54Å
90	N	94	Very high	77	Confident	29 Å²	29	76.8 Å²	76.8	16%	0.155	43%	0.433	C	S	.	.			trans	-96.6	92.5	167.8	-174.4	-20.4	0	0	0	109.4	Q70 L92 E93 M94 E207	Q70-N90 WeakPolarHBondContact CA-OD1 3.24Å; Q70-N90 WeakPolarHBondContact O-CA 3.48Å; Q70-N90 WeakPolarHBondContact O-CB 3.4Å; N90-L92 VanDerWaalsContact C-N 3.25Å; N90-L92 PolarHBondContact O-N 3.03Å; N90-L92 WeakPolarHBondContact OD1-CB 3.09Å; N90-L92 PolarHBondContact OD1-N 2.88Å; N90-E93 HydrophobicContact CB-CB 3.89Å; N90-E93 VanDerWaalsContact CG-CB 3.46Å; N90-E93 PolarHBondContact O-N 2.93Å; N90-E93 PolarHBondContact OD1-N 2.99Å; N90-M94 VanDerWaalsContact O-CG 3.23Å; N90-M94 WeakPolarHBondContact O-CG 3.32Å; N90-M94 PolarHBondContact O-N 2.94Å; N90-E207 PolarHBondContact ND2-OE1 3.26Å
91	L	95.6	Very high	79.6	Confident	9 Å²	9	76.5 Å²	76.5	5%	0.047	42%	0.424	C	S	.	.	H	α-helix	trans	-68.4	-26	-175.9	-172.3	60.9	0	0	0	112.5	W69 I72 M94 M95 W102 T105 F106 Y109	W69-L91 PolarHBondContact O-N 3.24Å; I72-L91 HydrophobicContact CD1-CB 4.2Å; I72-L91 HydrophobicContact CD1-CD2 4.32Å; I72-L91 HydrophobicContact CG1-CB 3.9Å; L91-M94 HydrophobicContact CD1-SD 4.36Å; L91-M95 WeakPolarHBondContact O-CB 3.33Å; L91-M95 PolarHBondContact O-N 2.99Å; L91-M95 VanDerWaalsContact O-N 3.09Å; L91-W102 HydrophobicContact CD1-CE3 4.1Å; L91-T105 HydrophobicContact CD1-CG2 4Å; L91-T105 HydrophobicContact CD2-CG2 4.25Å; L91-F106 HydrophobicContact CD2-CD2 4.5Å; L91-F106 HydrophobicContact CG-CB 4.27Å; L91-F106 HydrophobicContact CG-CD2 4.07Å; L91-Y109 HydrophobicContact CD2-CD1 4.06Å; L91-Y109 HydrophobicContact CD2-CG 4.09Å
92	L	96.4	Very high	82.1	Confident	6 Å²	6	71.9 Å²	71.9	3%	0.031	39%	0.394	C	S	.	.	H	α-helix	trans	-65.5	-47.1	173.2	-179.7	64.8	0	0	0	110.9	V66 W69 Q70 N90 M95 Y96 F106 E207	V66-L92 HydrophobicContact CG1-CD2 3.98Å; W69-L92 HydrophobicContact CB-CB 4.31Å; W69-L92 PolarHBondContact O-N 3.42Å; Q70-L92 HydrophobicContact CG-CD2 4.35Å; N90-L92 VanDerWaalsContact C-N 3.25Å; N90-L92 PolarHBondContact O-N 3.03Å; N90-L92 WeakPolarHBondContact OD1-CB 3.09Å; N90-L92 PolarHBondContact OD1-N 2.88Å; L92-M95 HydrophobicContact CD1-CE 4.13Å; L92-M95 PolarHBondContact O-N 3.32Å; L92-Y96 HydrophobicContact CD1-CD2 4.1Å; L92-Y96 HydrophobicContact CD1-CE2 3.63Å; L92-Y96 HydrophobicContact CG-CD2 4.21Å; L92-Y96 HydrophobicContact CG-CE2 4.06Å; L92-Y96 WeakPolarHBondContact O-CD2 3.04Å; L92-Y96 PolarHBondContact O-N 2.98Å; L92-F106 HydrophobicContact CB-CE2 4.09Å; L92-F106 HydrophobicContact CD1-CE2 3.63Å; L92-F106 HydrophobicContact CD1-CZ 3.67Å; L92-E207 HydrophobicContact CD2-CB 4.3Å; L92-E207 HydrophobicContact CD2-CG 4.5Å; L92-E207 HydrophobicContact CG-CB 4.24Å
93	E	95.8	Very high	84.7	Confident	74 Å²	74	67.7 Å²	67.7	35%	0.346	36%	0.36	S	S	.	.	H	α-helix	trans	-61.6	-47.4	175.4	-173.7	175.8	-164.5	0	0	111.5	N90 M95 Y96 Q97 E207	N90-E93 HydrophobicContact CB-CB 3.89Å; N90-E93 VanDerWaalsContact CG-CB 3.46Å; N90-E93 PolarHBondContact O-N 2.93Å; N90-E93 PolarHBondContact OD1-N 2.99Å; E93-M95 PolarHBondContact O-N 2.74Å; E93-Y96 PolarHBondContact O-N 2.7Å; E93-Q97 HydrophobicContact CG-CG 4.21Å; E93-Q97 WeakPolarHBondContact O-CG 3.39Å; E93-Q97 PolarHBondContact O-N 2.9Å; E93-Q97 PolarHBondContact OE1-NE2 2.81Å; E93-E207 HydrophobicContact CB-CB 4.31Å; E93-E207 HydrophobicContact CB-CG 3.66Å; E93-E207 HydrophobicContact CG-CG 4.25Å
94	M	96.9	Very high	87.3	Confident	39 Å²	39	66.6 Å²	66.6	19%	0.192	34%	0.343	C	S	.	.	H	α-helix	trans	-56.5	-39.7	178.7	-67.6	166.2	71.6	0	0	112	S89 N90 L91 D98 W102	S89-M94 VanDerWaalsContact CB-SD 3.54Å; N90-M94 VanDerWaalsContact O-CG 3.23Å; N90-M94 WeakPolarHBondContact O-CG 3.32Å; N90-M94 PolarHBondContact O-N 2.94Å; L91-M94 HydrophobicContact CD1-SD 4.36Å; M94-D98 PolarHBondContact O-N 2.77Å; M94-W102 HydrophobicContact CB-CB 4.34Å; M94-W102 HydrophobicContact CB-CD2 4.24Å; M94-W102 HydrophobicContact CB-CG 3.89Å; M94-W102 HydrophobicContact CE-CD2 3.56Å; M94-W102 HydrophobicContact CE-CE3 3.71Å; M94-W102 HydrophobicContact CE-CG 4.38Å; M94-W102 HydrophobicContact CE-CH2 3.31Å; M94-W102 HydrophobicContact CE-CZ2 3.14Å; M94-W102 HydrophobicContact CE-CZ3 3.58Å; M94-W102 VanDerWaalsContact O-CD1 3.28Å
95	M	97.5	Very high	89.6	Confident	4 Å²	4	63.5 Å²	63.5	2%	0.02	32%	0.322	C	S	.	.	H	α-helix	trans	-65.8	-41.4	176	-176.3	-82	-59.6	0	0	112.7	L91 L92 E93 P99 W102 F106 M152	L91-M95 WeakPolarHBondContact O-CB 3.33Å; L91-M95 PolarHBondContact O-N 2.99Å; L91-M95 VanDerWaalsContact O-N 3.09Å; L92-M95 HydrophobicContact CD1-CE 4.13Å; L92-M95 PolarHBondContact O-N 3.32Å; E93-M95 PolarHBondContact O-N 2.74Å; M95-P99 WeakPolarHBondContact O-CA 3.45Å; M95-P99 WeakPolarHBondContact O-CB 3.4Å; M95-P99 WeakPolarHBondContact O-CD 3.27Å; M95-W102 HydrophobicContact CB-CB 4.44Å; M95-F106 HydrophobicContact CB-CB 3.85Å; M95-F106 HydrophobicContact CB-CD1 4.49Å; M95-F106 HydrophobicContact CB-CD2 4.14Å; M95-F106 HydrophobicContact CB-CG 3.9Å; M95-F106 HydrophobicContact CE-CD1 4.21Å; M95-F106 HydrophobicContact CE-CE1 4.12Å; M95-F106 HydrophobicContact CE-CZ 4.4Å; M95-F106 HydrophobicContact CG-CB 3.82Å; M95-F106 HydrophobicContact CG-CD1 4.02Å; M95-F106 HydrophobicContact CG-CG 3.87Å; M95-M152 HydrophobicContact SD-CE 4.3Å
96	Y	96.2	Very high	91.8	Very high	55 Å²	55	56.1 Å²	56.1	22%	0.216	29%	0.287	C	S	.	.	H	α-helix	trans	-74.3	-29.3	177.6	-76.3	-57.3	0	0	0	113.4	L92 E93 E207 E208 V211 Y215	L92-Y96 HydrophobicContact CD1-CD2 4.1Å; L92-Y96 HydrophobicContact CD1-CE2 3.63Å; L92-Y96 HydrophobicContact CG-CD2 4.21Å; L92-Y96 HydrophobicContact CG-CE2 4.06Å; L92-Y96 WeakPolarHBondContact O-CD2 3.04Å; L92-Y96 PolarHBondContact O-N 2.98Å; E93-Y96 PolarHBondContact O-N 2.7Å; Y96-E207 WeakPolarHBondContact CB-O 3.48Å; Y96-E207 HydrophobicContact CD2-CB 4.3Å; Y96-E207 WeakPolarHBondContact CD2-O 3.36Å; Y96-E208 HydrophobicContact CE2-CG 3.81Å; Y96-V211 HydrophobicContact CD1-CG2 3.83Å; Y96-V211 HydrophobicContact CE1-CG2 3.45Å; Y96-V211 VanDerWaalsContact CE1-CG2 3.45Å; Y96-Y215 HydrophobicContact CE1-CE1 4.32Å
97	Q	96	Very high	93.8	Very high	139 Å²	139	52.7 Å²	52.7	65%	0.65	26%	0.259	S	S	*	.	H	α-helix	trans	-77.7	-44.1	178	-73.1	-178.9	-4.4	0	0	113	E93	E93-Q97 HydrophobicContact CG-CG 4.21Å; E93-Q97 WeakPolarHBondContact O-CG 3.39Å; E93-Q97 PolarHBondContact O-N 2.9Å; E93-Q97 PolarHBondContact OE1-NE2 2.81Å
98	D	97.3	Very high	95.5	Very high	71 Å²	71	51 Å²	51	38%	0.38	25%	0.248	S	C	.	.			trans	-136.3	80.2	177.5	-177.5	-2.3	0	0	0	110.2	M94 Q100 R101 W102	M94-D98 PolarHBondContact O-N 2.77Å; D98-Q100 VanDerWaalsContact C-N 3.26Å; D98-Q100 PolarHBondContact O-N 2.84Å; D98-Q100 PolarHBondContact OD1-N 3.49Å; D98-R101 HydrophobicContact CB-CB 4.33Å; D98-R101 VanDerWaalsContact CG-CB 3.42Å; D98-R101 PolarHBondContact O-N 3.19Å; D98-R101 PolarHBondContact OD1-N 3Å; D98-R101 VanDerWaalsContact OD1-N 3.09Å; D98-R101 WeakPolarHBondContact OD2-CB 3.24Å; D98-W102 PolarHBondContact O-N 3.31Å
99	P	97.4	Very high	96.7	Very high	40 Å²	40	50.4 Å²	50.4	26%	0.26	24%	0.238	S	C	.	.	H	α-helix	trans	-65.3	-29.5	-177.4	24.7	-33.7	0	0	0	112.3	M95 R101 S103 M152 C157	M95-P99 WeakPolarHBondContact O-CA 3.45Å; M95-P99 WeakPolarHBondContact O-CB 3.4Å; M95-P99 WeakPolarHBondContact O-CD 3.27Å; P99-R101 VanDerWaalsContact C-N 3.31Å; P99-R101 PolarHBondContact O-N 2.87Å; P99-S103 WeakPolarHBondContact O-CB 3.38Å; P99-S103 PolarHBondContact O-N 3.2Å; P99-S103 PolarHBondContact O-OG 3.02Å; P99-M152 HydrophobicContact CB-CE 3.68Å; P99-C157 HydrophobicContact CB-CB 4.18Å
100	Q	97.8	Very high	97.2	Very high	145 Å²	145	48.8 Å²	48.8	68%	0.678	23%	0.226	S	C	*	.	H	α-helix	trans	-65.1	-37.7	178.2	-68.8	-175.7	29.6	0	0	111.4	D98	D98-Q100 VanDerWaalsContact C-N 3.26Å; D98-Q100 PolarHBondContact O-N 2.84Å; D98-Q100 PolarHBondContact OD1-N 3.49Å
101	R	98.4	Very high	97.4	Very high	127 Å²	127	47.4 Å²	47.4	48%	0.479	22%	0.219	S	C	.	.	H	α-helix	trans	-80.7	-37.2	178.4	178.8	57.6	-173.4	79.6	2.3	113.3	D98 P99	D98-R101 HydrophobicContact CB-CB 4.33Å; D98-R101 VanDerWaalsContact CG-CB 3.42Å; D98-R101 PolarHBondContact O-N 3.19Å; D98-R101 PolarHBondContact OD1-N 3Å; D98-R101 VanDerWaalsContact OD1-N 3.09Å; D98-R101 WeakPolarHBondContact OD2-CB 3.24Å; P99-R101 VanDerWaalsContact C-N 3.31Å; P99-R101 PolarHBondContact O-N 2.87Å
102	W	98.4	Very high	97.4	Very high	63 Å²	63	48.4 Å²	48.4	24%	0.239	23%	0.225	C	C	.	.	H	α-helix	trans	-112.8	-6.3	-163.2	-63.8	111.1	0	0	0	115.2	L91 M94 M95 D98 Y104 T105 F106	L91-W102 HydrophobicContact CD1-CE3 4.1Å; M94-W102 HydrophobicContact CB-CB 4.34Å; M94-W102 HydrophobicContact CB-CD2 4.24Å; M94-W102 HydrophobicContact CB-CG 3.89Å; M94-W102 HydrophobicContact CE-CD2 3.56Å; M94-W102 HydrophobicContact CE-CE3 3.71Å; M94-W102 HydrophobicContact CE-CG 4.38Å; M94-W102 HydrophobicContact CE-CH2 3.31Å; M94-W102 HydrophobicContact CE-CZ2 3.14Å; M94-W102 HydrophobicContact CE-CZ3 3.58Å; M94-W102 VanDerWaalsContact O-CD1 3.28Å; M95-W102 HydrophobicContact CB-CB 4.44Å; D98-W102 PolarHBondContact O-N 3.31Å; W102-Y104 PolarHBondContact O-N 2.81Å; W102-T105 HydrophobicContact CE3-CG2 4.26Å; W102-T105 HydrophobicContact CZ3-CG2 4.42Å; W102-T105 PolarHBondContact O-N 3.48Å; W102-F106 VanDerWaalsContact O-CB 3.3Å; W102-F106 WeakPolarHBondContact O-CB 3.28Å; W102-F106 PolarHBondContact O-N 2.99Å
103	S	98.5	Very high	97.4	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-58.6	-52.4	179	-69.3	0	0	0	0	112.3	P99 T105 F106 Q107 M152	P99-S103 WeakPolarHBondContact O-CB 3.38Å; P99-S103 PolarHBondContact O-N 3.2Å; P99-S103 PolarHBondContact O-OG 3.02Å; S103-T105 VanDerWaalsContact C-N 3.32Å; S103-T105 PolarHBondContact O-N 3.27Å; S103-F106 PolarHBondContact O-N 3.27Å; S103-Q107 WeakPolarHBondContact O-CB 3.49Å; S103-Q107 VanDerWaalsContact O-CG 3.25Å; S103-Q107 WeakPolarHBondContact O-CG 3.42Å; S103-Q107 PolarHBondContact O-N 3.28Å; S103-M152 WeakPolarHBondContact OG-CE 3.36Å
104	Y	98.7	Very high	97.4	Very high	63 Å²	63	45 Å²	45	25%	0.247	21%	0.209	C	C	.	.	H	α-helix	trans	-57.8	-45.2	-179.8	174.7	-101.8	0	0	0	112.1	W102 T108 E162 T165	W102-Y104 PolarHBondContact O-N 2.81Å; Y104-T108 WeakPolarHBondContact O-CB 3.39Å; Y104-T108 PolarHBondContact O-N 2.67Å; Y104-T108 PolarHBondContact O-OG1 3.31Å; Y104-E162 HydrophobicContact CD2-CB 3.64Å; Y104-E162 HydrophobicContact CD2-CG 4.13Å; Y104-E162 HydrophobicContact CE2-CB 4.23Å; Y104-E162 WeakPolarHBondContact CE2-O 3.47Å; Y104-E162 HydrophobicContact CG-CB 4Å; Y104-E162 HydrophobicContact CG-CG 4.02Å; Y104-T165 WeakPolarHBondContact OH-CG2 3.45Å
105	T	98.4	Very high	97.3	Very high	50 Å²	50	43.3 Å²	43.3	31%	0.307	20%	0.201	S	C	.	.	H	α-helix	trans	-62.7	-45.8	177.8	-52.8	0	0	0	0	111.7	L91 W102 S103 Y109	L91-T105 HydrophobicContact CD1-CG2 4Å; L91-T105 HydrophobicContact CD2-CG2 4.25Å; W102-T105 HydrophobicContact CE3-CG2 4.26Å; W102-T105 HydrophobicContact CZ3-CG2 4.42Å; W102-T105 PolarHBondContact O-N 3.48Å; S103-T105 VanDerWaalsContact C-N 3.32Å; S103-T105 PolarHBondContact O-N 3.27Å; T105-Y109 WeakPolarHBondContact O-CB 2.92Å; T105-Y109 PolarHBondContact O-N 3.31Å
106	F	98.3	Very high	97.2	Very high	13 Å²	13	50.2 Å²	50.2	6%	0.057	23%	0.227	C	C	.	.	H	α-helix	trans	-64.5	-48.9	178.8	178.2	-92.9	0	0	0	111.8	W69 L91 L92 M95 W102 S103 T108 Y109 S110	W69-F106 HydrophobicContact CB-CE2 4.2Å; W69-F106 HydrophobicContact CD2-CE2 4.23Å; W69-F106 HydrophobicContact CD2-CZ 4.29Å; W69-F106 HydrophobicContact CE3-CE2 4.08Å; W69-F106 AromaticContact CE3-CZ 3.82Å; W69-F106 HydrophobicContact CE3-CZ 3.82Å; W69-F106 HydrophobicContact CG-CE2 4.32Å; W69-F106 HydrophobicContact CZ3-CZ 4.07Å; L91-F106 HydrophobicContact CD2-CD2 4.5Å; L91-F106 HydrophobicContact CG-CB 4.27Å; L91-F106 HydrophobicContact CG-CD2 4.07Å; L92-F106 HydrophobicContact CB-CE2 4.09Å; L92-F106 HydrophobicContact CD1-CE2 3.63Å; L92-F106 HydrophobicContact CD1-CZ 3.67Å; M95-F106 HydrophobicContact CB-CB 3.85Å; M95-F106 HydrophobicContact CB-CD1 4.49Å; M95-F106 HydrophobicContact CB-CD2 4.14Å; M95-F106 HydrophobicContact CB-CG 3.9Å; M95-F106 HydrophobicContact CE-CD1 4.21Å; M95-F106 HydrophobicContact CE-CE1 4.12Å; M95-F106 HydrophobicContact CE-CZ 4.4Å; M95-F106 HydrophobicContact CG-CB 3.82Å; M95-F106 HydrophobicContact CG-CD1 4.02Å; M95-F106 HydrophobicContact CG-CG 3.87Å; W102-F106 VanDerWaalsContact O-CB 3.3Å; W102-F106 WeakPolarHBondContact O-CB 3.28Å; W102-F106 PolarHBondContact O-N 2.99Å; S103-F106 PolarHBondContact O-N 3.27Å; F106-T108 VanDerWaalsContact C-N 3.29Å; F106-T108 PolarHBondContact O-N 3.05Å; F106-Y109 PolarHBondContact O-N 3.48Å; F106-S110 VanDerWaalsContact O-CB 3.31Å; F106-S110 WeakPolarHBondContact O-CB 3.43Å; F106-S110 PolarHBondContact O-N 3.44Å; F106-S110 PolarHBondContact O-OG 3.07Å; F106-S110 VanDerWaalsContact O-OG 3.14Å
107	Q	98.4	Very high	97.1	Very high	2 Å²	2	48.7 Å²	48.7	1%	0.009	22%	0.222	C	C	.	.	H	α-helix	trans	-62.4	-36.9	-179.5	-63.6	-52.1	-30.6	0	0	112.1	S103 S110 C111 A149 I158 Y166	S103-Q107 WeakPolarHBondContact O-CB 3.49Å; S103-Q107 VanDerWaalsContact O-CG 3.25Å; S103-Q107 WeakPolarHBondContact O-CG 3.42Å; S103-Q107 PolarHBondContact O-N 3.28Å; Q107-S110 WeakPolarHBondContact CA-OG 3.29Å; Q107-S110 PolarHBondContact O-OG 2.89Å; Q107-C111 VanDerWaalsContact O-CB 3.29Å; Q107-C111 WeakPolarHBondContact O-CB 3.14Å; Q107-C111 PolarHBondContact O-N 3Å; Q107-A149 HydrophobicContact CB-CB 4.12Å; Q107-A149 HydrophobicContact CG-CB 3.94Å; Q107-I158 HydrophobicContact CG-CD1 4Å; Q107-Y166 HydrophobicContact CB-CD2 4.38Å; Q107-Y166 HydrophobicContact CB-CE2 3.84Å
108	T	98.1	Very high	97	Very high	30 Å²	30	42.2 Å²	42.2	18%	0.184	19%	0.192	C	C	.	.	H	α-helix	trans	-66.5	-49.1	175.4	-55.9	0	0	0	0	110.6	Y104 F106 V112	Y104-T108 WeakPolarHBondContact O-CB 3.39Å; Y104-T108 PolarHBondContact O-N 2.67Å; Y104-T108 PolarHBondContact O-OG1 3.31Å; F106-T108 VanDerWaalsContact C-N 3.29Å; F106-T108 PolarHBondContact O-N 3.05Å; T108-V112 VanDerWaalsContact O-CG2 3.28Å; T108-V112 WeakPolarHBondContact O-CG2 3.37Å; T108-V112 PolarHBondContact O-N 3.17Å
109	Y	97.2	Very high	96.8	Very high	64 Å²	64	40.4 Å²	40.4	25%	0.251	18%	0.182	S	C	.	.	H	α-helix	trans	-68.3	-40.6	-178.2	-172.6	-103.4	0	0	0	113	W69 I72 L91 T105 F106 V112 S113	W69-Y109 AromaticContact CD1-CD1 3.82Å; W69-Y109 AromaticContact CD1-CE1 3.79Å; I72-Y109 HydrophobicContact CD1-CD1 3.68Å; I72-Y109 HydrophobicContact CD1-CE1 3.16Å; I72-Y109 HydrophobicContact CD1-CE2 4.13Å; I72-Y109 HydrophobicContact CD1-CG 4.35Å; I72-Y109 VanDerWaalsContact CD1-CZ 3.41Å; L91-Y109 HydrophobicContact CD2-CD1 4.06Å; L91-Y109 HydrophobicContact CD2-CG 4.09Å; T105-Y109 WeakPolarHBondContact O-CB 2.92Å; T105-Y109 PolarHBondContact O-N 3.31Å; F106-Y109 PolarHBondContact O-N 3.48Å; Y109-V112 PolarHBondContact O-N 3.39Å; Y109-S113 WeakPolarHBondContact O-CB 3.31Å; Y109-S113 PolarHBondContact O-N 2.96Å; Y109-S113 PolarHBondContact O-OG 3.28Å
110	S	97.1	Very high	96.6	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.007	19%	0.191	C	C	.	.	H	α-helix	trans	-58.5	-50.1	176.7	67	0	0	0	0	110.1	F106 Q107 V112 S113 R114	F106-S110 VanDerWaalsContact O-CB 3.31Å; F106-S110 WeakPolarHBondContact O-CB 3.43Å; F106-S110 PolarHBondContact O-N 3.44Å; F106-S110 PolarHBondContact O-OG 3.07Å; F106-S110 VanDerWaalsContact O-OG 3.14Å; Q107-S110 WeakPolarHBondContact CA-OG 3.29Å; Q107-S110 PolarHBondContact O-OG 2.89Å; S110-V112 PolarHBondContact O-N 2.82Å; S110-S113 PolarHBondContact O-N 3.36Å; S110-S113 PolarHBondContact O-OG 3.02Å; S110-R114 WeakPolarHBondContact O-CB 3.5Å; S110-R114 PolarHBondContact O-N 3.31Å
111	C	97.3	Very high	96.2	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.007	19%	0.191	C	C	.	.	H	α-helix	trans	-62	-44.3	177.8	-172.6	0	0	0	0	112.3	Q107 S113 R114 M115 D144 W169	Q107-C111 VanDerWaalsContact O-CB 3.29Å; Q107-C111 WeakPolarHBondContact O-CB 3.14Å; Q107-C111 PolarHBondContact O-N 3Å; C111-S113 PolarHBondContact O-N 3.1Å; C111-R114 PolarHBondContact O-N 3.17Å; C111-M115 VanDerWaalsContact O-CB 3.31Å; C111-M115 WeakPolarHBondContact O-CB 3.37Å; C111-M115 PolarHBondContact O-N 2.92Å; C111-D144 WeakPolarHBondContact CA-OD2 3.44Å; C111-D144 HydrophobicContact CB-CB 4.07Å; C111-W169 HydrophobicContact CB-CH2 3.74Å; C111-W169 HydrophobicContact CB-CZ3 3.8Å
112	V	95.7	Very high	95.8	Very high	29 Å²	29	36.2 Å²	36.2	18%	0.176	18%	0.176	C	C	.	.	H	α-helix	trans	-59.3	-48.3	175.1	168.5	0	0	0	0	111.2	T108 Y109 S110 R114 M115 R116 W169	T108-V112 VanDerWaalsContact O-CG2 3.28Å; T108-V112 WeakPolarHBondContact O-CG2 3.37Å; T108-V112 PolarHBondContact O-N 3.17Å; Y109-V112 PolarHBondContact O-N 3.39Å; S110-V112 PolarHBondContact O-N 2.82Å; V112-R114 VanDerWaalsContact C-N 3.29Å; V112-R114 PolarHBondContact O-N 3.42Å; V112-M115 PolarHBondContact O-N 3.44Å; V112-R116 VanDerWaalsContact CG1-CZ 3.45Å; V112-R116 VanDerWaalsContact CG1-NH1 3.31Å; V112-R116 WeakPolarHBondContact O-CG 3.46Å; V112-R116 PolarHBondContact O-N 3.38Å; V112-W169 HydrophobicContact CG2-CH2 3.7Å; V112-W169 HydrophobicContact CG2-CZ2 3.32Å
113	S	95.7	Very high	95.5	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.014	18%	0.177	C	C	.	.	H	α-helix	trans	-64.9	-35.8	-177.2	72.6	0	0	0	0	111.9	P65 W69 Y109 S110 C111 I117	P65-S113 WeakPolarHBondContact CG-OG 3.36Å; W69-S113 PolarHBondContact NE1-OG 3.35Å; Y109-S113 WeakPolarHBondContact O-CB 3.31Å; Y109-S113 PolarHBondContact O-N 2.96Å; Y109-S113 PolarHBondContact O-OG 3.28Å; S110-S113 PolarHBondContact O-N 3.36Å; S110-S113 PolarHBondContact O-OG 3.02Å; C111-S113 PolarHBondContact O-N 3.1Å; S113-I117 PolarHBondContact O-N 3.25Å
114	R	96.4	Very high	95.1	Very high	7 Å²	7	38.3 Å²	38.3	3%	0.026	20%	0.203	C	C	.	.	H	α-helix	trans	-70.3	-46.9	175.2	-165.5	-175.2	-50.9	-73.6	-0.3	111.7	E64 S110 C111 V112 R116 I117 Q118 E138 D144	E64-R114 IonicContact OE1-CZ 2.95Å; E64-R114 IonicContact OE1-NH1 3.11Å; E64-R114 PolarHBondContact OE1-NH1 3.47Å; E64-R114 VanDerWaalsContact OE1-NH1 3.11Å; E64-R114 IonicContact OE1-NH2 3.99Å; E64-R114 PolarHBondContact OE1-NH2 2.78Å; S110-R114 WeakPolarHBondContact O-CB 3.5Å; S110-R114 PolarHBondContact O-N 3.31Å; C111-R114 PolarHBondContact O-N 3.17Å; V112-R114 VanDerWaalsContact C-N 3.29Å; V112-R114 PolarHBondContact O-N 3.42Å; R114-R116 PolarHBondContact O-N 3.38Å; R114-I117 WeakPolarHBondContact O-CA 3.49Å; R114-I117 WeakPolarHBondContact O-CB 3.34Å; R114-I117 PolarHBondContact O-N 2.96Å; R114-Q118 HydrophobicContact CG-CG 4.46Å; R114-Q118 WeakPolarHBondContact O-CG 3.48Å; R114-Q118 PolarHBondContact O-N 3.3Å; R114-E138 PolarHBondContact NH1-O 3.39Å; R114-D144 WeakPolarHBondContact CD-OD2 3.38Å; R114-D144 IonicContact CZ-OD1 3.42Å; R114-D144 IonicContact CZ-OD2 3.75Å; R114-D144 VanDerWaalsContact NE-CG 3.34Å; R114-D144 IonicContact NE-OD1 3.16Å; R114-D144 PolarHBondContact NE-OD1 3.22Å; R114-D144 VanDerWaalsContact NE-OD1 3.16Å; R114-D144 IonicContact NE-OD2 2.77Å; R114-D144 PolarHBondContact NE-OD2 3.47Å; R114-D144 IonicContact NH2-OD1 2.82Å; R114-D144 PolarHBondContact NH2-OD1 2.91Å; R114-D144 IonicContact NH2-OD2 3.82Å
115	M	95.4	Very high	94.7	Very high	3 Å²	3	39.9 Å²	39.9	2%	0.015	21%	0.208	C	C	.	.	H	α-helix	trans	-54.8	-42.1	175	-174.3	66.4	80.7	0	0	111.1	C111 V112 I117 Q118 L119 V141 M173 F177 V181	C111-M115 VanDerWaalsContact O-CB 3.31Å; C111-M115 WeakPolarHBondContact O-CB 3.37Å; C111-M115 PolarHBondContact O-N 2.92Å; V112-M115 PolarHBondContact O-N 3.44Å; M115-I117 VanDerWaalsContact C-N 3.3Å; M115-I117 PolarHBondContact O-N 3.49Å; M115-Q118 PolarHBondContact O-N 2.6Å; M115-L119 HydrophobicContact CG-CD1 3.79Å; M115-L119 HydrophobicContact CG-CG 4.3Å; M115-L119 WeakPolarHBondContact O-CB 3.47Å; M115-L119 VanDerWaalsContact O-CG 3.23Å; M115-L119 WeakPolarHBondContact O-CG 3.46Å; M115-L119 PolarHBondContact O-N 2.99Å; M115-L119 HydrophobicContact SD-CD1 4.26Å; M115-L119 HydrophobicContact SD-CG 4.3Å; M115-V141 HydrophobicContact CB-CG1 4.21Å; M115-V141 HydrophobicContact CE-CB 4.36Å; M115-V141 HydrophobicContact CE-CG1 3.86Å; M115-V141 HydrophobicContact CE-CG2 4.29Å; M115-V141 HydrophobicContact SD-CG1 4.29Å; M115-M173 HydrophobicContact CE-CB 4.1Å; M115-M173 HydrophobicContact CE-CE 4.45Å; M115-M173 HydrophobicContact CG-CE 3.77Å; M115-F177 HydrophobicContact SD-CB 4.19Å; M115-V181 HydrophobicContact CE-CG2 4.29Å; M115-V181 HydrophobicContact SD-CB 4.34Å; M115-V181 HydrophobicContact SD-CG1 3.75Å; M115-V181 HydrophobicContact SD-CG2 3.88Å
116	R	94.6	Very high	94.4	Very high	150 Å²	150	37.5 Å²	37.5	57%	0.566	19%	0.194	S	C	*	.	H	α-helix	trans	-61.4	-34	175.7	-75.9	179.7	179.5	134.6	3	113.8	V112 R114 Q120	V112-R116 VanDerWaalsContact CG1-CZ 3.45Å; V112-R116 VanDerWaalsContact CG1-NH1 3.31Å; V112-R116 WeakPolarHBondContact O-CG 3.46Å; V112-R116 PolarHBondContact O-N 3.38Å; R114-R116 PolarHBondContact O-N 3.38Å; R116-Q120 WeakPolarHBondContact O-CG 3.47Å
117	I	93.9	Very high	93.9	Very high	22 Å²	22	39.6 Å²	39.6	11%	0.113	21%	0.205	C	C	.	.	H	α-helix	trans	-73.2	-47	175	-72.6	170.7	0	0	0	110.1	M62 P65 S113 R114 M115 L119 Q120	M62-I117 HydrophobicContact CB-CG2 3.82Å; M62-I117 HydrophobicContact CG-CG2 4.16Å; M62-I117 HydrophobicContact SD-CG2 3.82Å; P65-I117 HydrophobicContact CB-CD1 3.68Å; P65-I117 HydrophobicContact CG-CD1 3.71Å; S113-I117 PolarHBondContact O-N 3.25Å; R114-I117 WeakPolarHBondContact O-CA 3.49Å; R114-I117 WeakPolarHBondContact O-CB 3.34Å; R114-I117 PolarHBondContact O-N 2.96Å; M115-I117 VanDerWaalsContact C-N 3.3Å; M115-I117 PolarHBondContact O-N 3.49Å; I117-L119 PolarHBondContact O-N 3.15Å; I117-Q120 WeakPolarHBondContact O-CB 3.39Å; I117-Q120 WeakPolarHBondContact O-CG 3.22Å; I117-Q120 PolarHBondContact O-N 3.47Å
118	Q	93.8	Very high	93.4	Very high	4 Å²	4	46 Å²	46	2%	0.019	24%	0.239	C	C	.	.	H	α-helix	trans	-64.1	-28.4	-179	-66.7	-173.9	-22	0	0	112.9	R114 M115 Q120 Y137 V181	R114-Q118 HydrophobicContact CG-CG 4.46Å; R114-Q118 WeakPolarHBondContact O-CG 3.48Å; R114-Q118 PolarHBondContact O-N 3.3Å; M115-Q118 PolarHBondContact O-N 2.6Å; Q118-Q120 VanDerWaalsContact C-N 3.3Å; Q118-Q120 PolarHBondContact O-N 3.35Å; Q118-Y137 HydrophobicContact CB-CE1 4.13Å; Q118-Y137 HydrophobicContact CG-CD1 3.66Å; Q118-Y137 HydrophobicContact CG-CE1 3.75Å; Q118-Y137 HydrophobicContact CG-CG 4.18Å; Q118-V181 HydrophobicContact CB-CB 4.05Å; Q118-V181 HydrophobicContact CB-CG1 3.55Å
119	L	93.8	Very high	92.8	Very high	33 Å²	33	45.6 Å²	45.6	17%	0.173	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-7.9	176	-72.7	171.8	0	0	0	114.7	M115 I117 F177 R180 V181	M115-L119 HydrophobicContact CG-CD1 3.79Å; M115-L119 HydrophobicContact CG-CG 4.3Å; M115-L119 WeakPolarHBondContact O-CB 3.47Å; M115-L119 VanDerWaalsContact O-CG 3.23Å; M115-L119 WeakPolarHBondContact O-CG 3.46Å; M115-L119 PolarHBondContact O-N 2.99Å; M115-L119 HydrophobicContact SD-CD1 4.26Å; M115-L119 HydrophobicContact SD-CG 4.3Å; I117-L119 PolarHBondContact O-N 3.15Å; L119-F177 HydrophobicContact CD1-CB 4.42Å; L119-F177 HydrophobicContact CD1-CD1 4.09Å; L119-F177 HydrophobicContact CD1-CG 4.16Å; L119-F177 HydrophobicContact CD2-CB 4.07Å; L119-F177 HydrophobicContact CD2-CD1 4.19Å; L119-F177 HydrophobicContact CD2-CG 4.42Å; L119-R180 HydrophobicContact CD2-CB 3.69Å; L119-R180 HydrophobicContact CD2-CG 4.37Å; L119-R180 PolarHBondContact O-NH2 2.92Å; L119-V181 HydrophobicContact CD2-CG1 3.78Å; L119-V181 HydrophobicContact CG-CG1 3.96Å
120	Q	92	Very high	92.1	Very high	96 Å²	96	52.4 Å²	52.4	45%	0.449	27%	0.268	S	S	.	.	S	Bend	trans	-64.8	136.4	176.2	-65.3	-178.4	13.1	0	0	110	M62 R116 I117 Q118	M62-Q120 HydrophobicContact CE-CB 4.17Å; R116-Q120 WeakPolarHBondContact O-CG 3.47Å; I117-Q120 WeakPolarHBondContact O-CB 3.39Å; I117-Q120 WeakPolarHBondContact O-CG 3.22Å; I117-Q120 PolarHBondContact O-N 3.47Å; Q118-Q120 VanDerWaalsContact C-N 3.3Å; Q118-Q120 PolarHBondContact O-N 3.35Å
121	P	90.3	Very high	91.6	Very high	105 Å²	105	58.3 Å²	58.3	68%	0.682	30%	0.296	S	S	*	.	P	Polyproline II helix	trans	-63	146.5	178.4	27.7	-34	0	0	0	110.3
122	P	90.8	Very high	91.1	Very high	23 Å²	23	61.1 Å²	61.1	15%	0.149	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-56.7	140.4	171	-19.5	29.1	0	0	0	110.6	V32 L126 L127	V32-P122 HydrophobicContact CB-CG 4.22Å; V32-P122 HydrophobicContact CG1-CB 4.35Å; V32-P122 HydrophobicContact CG1-CG 4.16Å; V32-P122 HydrophobicContact CG2-CB 4.08Å; V32-P122 HydrophobicContact CG2-CG 3.99Å; P122-L126 HydrophobicContact CB-CB 4.42Å; P122-L126 HydrophobicContact CB-CD1 4.47Å; P122-L127 HydrophobicContact CB-CD2 4.01Å; P122-L127 HydrophobicContact CB-CG 4.45Å; P122-L127 HydrophobicContact CG-CD2 4.28Å
123	P	91.1	Very high	91	Very high	41 Å²	41	59.8 Å²	59.8	27%	0.266	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-63.2	150.4	174.9	28	-36.4	0	0	0	111	E60 R125 L126 L127	E60-P123 HydrophobicContact CG-CG 4.26Å; P123-R125 HydrophobicContact CB-CG 4.2Å; P123-R125 HydrophobicContact CG-CG 4.08Å; P123-R125 PolarHBondContact O-N 3.39Å; P123-L126 HydrophobicContact CG-CB 4.45Å; P123-L126 HydrophobicContact CG-CD1 4.12Å; P123-L126 HydrophobicContact CG-CG 4Å; P123-L126 WeakPolarHBondContact O-CB 3.31Å; P123-L126 PolarHBondContact O-N 3.1Å; P123-L127 PolarHBondContact O-N 3.49Å
124	A	89.8	Confident	91	Very high	66 Å²	66	59.7 Å²	59.7	55%	0.545	30%	0.304	S	S	.	.	H	α-helix	trans	-54.4	-31.8	-175.8	0	0	0	0	0	113.8	L126 L127 N128	A124-L126 VanDerWaalsContact C-N 3.28Å; A124-L126 PolarHBondContact O-N 2.56Å; A124-L127 PolarHBondContact O-N 2.9Å; A124-L127 VanDerWaalsContact O-N 3.16Å; A124-N128 PolarHBondContact O-N 3.42Å; A124-N128 VanDerWaalsContact O-N 3.15Å; A124-N128 PolarHBondContact O-ND2 2.96Å
125	R	91.8	Very high	91	Very high	95 Å²	95	59.5 Å²	59.5	36%	0.358	30%	0.303	S	S	.	.	H	α-helix	trans	-56.9	-40	175.1	68.2	177.2	179.3	86	-15.5	112.9	T57 W59 E60 P123 T129	T57-R125 PolarHBondContact O-NH1 3.23Å; W59-R125 PolarHBondContact O-NH1 2.75Å; W59-R125 PolarHBondContact O-NH2 2.82Å; E60-R125 IonicContact OE2-CZ 2.7Å; E60-R125 VanDerWaalsContact OE2-CZ 3.24Å; E60-R125 IonicContact OE2-NE 2.75Å; E60-R125 IonicContact OE2-NH2 3.24Å; E60-R125 PolarHBondContact OE2-NH2 3.34Å; P123-R125 HydrophobicContact CB-CG 4.2Å; P123-R125 HydrophobicContact CG-CG 4.08Å; P123-R125 PolarHBondContact O-N 3.39Å; R125-T129 PolarHBondContact O-N 3.4Å
126	L	90.3	Very high	91.1	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-73.5	-32.4	179	-74.6	-171.1	0	0	0	111.9	R31 V32 D58 E60 P122 P123 A124 N128 T129 P133 Q135	R31-L126 PolarHBondContact NH2-O 3.42Å; V32-L126 HydrophobicContact CG1-CD1 4.48Å; D58-L126 WeakPolarHBondContact O-CD2 3.29Å; E60-L126 HydrophobicContact CB-CD1 3.32Å; E60-L126 HydrophobicContact CB-CG 4.21Å; E60-L126 HydrophobicContact CG-CD1 4.28Å; P122-L126 HydrophobicContact CB-CB 4.42Å; P122-L126 HydrophobicContact CB-CD1 4.47Å; P123-L126 HydrophobicContact CG-CB 4.45Å; P123-L126 HydrophobicContact CG-CD1 4.12Å; P123-L126 HydrophobicContact CG-CG 4Å; P123-L126 WeakPolarHBondContact O-CB 3.31Å; P123-L126 PolarHBondContact O-N 3.1Å; A124-L126 VanDerWaalsContact C-N 3.28Å; A124-L126 PolarHBondContact O-N 2.56Å; L126-N128 VanDerWaalsContact C-N 3.29Å; L126-N128 PolarHBondContact O-N 3.47Å; L126-T129 WeakPolarHBondContact O-CG2 3.46Å; L126-P133 HydrophobicContact CB-CB 4.21Å; L126-P133 HydrophobicContact CD2-CB 4.19Å; L126-P133 VanDerWaalsContact O-CB 3.29Å; L126-P133 WeakPolarHBondContact O-CB 3.24Å; L126-Q135 HydrophobicContact CD1-CG 3.83Å
127	L	89.2	Confident	91.2	Very high	58 Å²	58	52.4 Å²	52.4	30%	0.304	28%	0.276	S	S	.	.	H	α-helix	trans	-69.1	-33.8	178.9	-58.5	178.2	0	0	0	111.1	R31 V32 P122 P123 A124	R31-L127 PolarHBondContact NH2-O 2.59Å; R31-L127 VanDerWaalsContact NH2-O 3.17Å; V32-L127 HydrophobicContact CG2-CD2 3.88Å; P122-L127 HydrophobicContact CB-CD2 4.01Å; P122-L127 HydrophobicContact CB-CG 4.45Å; P122-L127 HydrophobicContact CG-CD2 4.28Å; P123-L127 PolarHBondContact O-N 3.49Å; A124-L127 PolarHBondContact O-N 2.9Å; A124-L127 VanDerWaalsContact O-N 3.16Å
128	N	86.7	Confident	91.4	Very high	135 Å²	135	51.6 Å²	51.6	72%	0.722	27%	0.272	S	S	*	.	S	Bend	trans	-96.1	-2.3	-172.4	-63.4	-23.6	0	0	0	115.2	A124 L126	A124-N128 PolarHBondContact O-N 3.42Å; A124-N128 VanDerWaalsContact O-N 3.15Å; A124-N128 PolarHBondContact O-ND2 2.96Å; L126-N128 VanDerWaalsContact C-N 3.29Å; L126-N128 PolarHBondContact O-N 3.47Å
129	T	85.6	Confident	91.6	Very high	22 Å²	22	52.2 Å²	52.2	14%	0.135	27%	0.274	C	S	.	.			trans	-69.6	151.1	-178.6	-173.7	0	0	0	0	112.9	R31 D58 R125 L126 E131 P133	R31-T129 PolarHBondContact NH1-O 3.21Å; R31-T129 PolarHBondContact NH2-O 3.04Å; D58-T129 HydrophobicContact CB-CG2 4.27Å; D58-T129 WeakPolarHBondContact OD1-CB 2.99Å; D58-T129 PolarHBondContact OD1-OG1 2.88Å; D58-T129 PolarHBondContact OD2-OG1 3.3Å; R125-T129 PolarHBondContact O-N 3.4Å; L126-T129 WeakPolarHBondContact O-CG2 3.46Å; T129-E131 PolarHBondContact OG1-N 3.49Å; T129-P133 HydrophobicContact CG2-CB 3.77Å; T129-P133 HydrophobicContact CG2-CG 4.19Å
130	K	83.4	Confident	91.7	Very high	207 Å²	207	50.7 Å²	50.7	90%	0.9	27%	0.266	S	S	*	.	S	Bend	trans	-85.8	-18.4	171.9	-65.7	-175.8	-179.4	-179.8	0	113
131	E	85.9	Confident	91.9	Very high	126 Å²	126	46.1 Å²	46.1	59%	0.589	25%	0.245	S	C	*	.	S	Bend	trans	-80.5	-172.6	177.5	-63.2	-59.1	149.8	0	0	111.2	R31 D58 T129 P133	R31-E131 PolarHBondContact NH1-O 3.3Å; D58-E131 HydrophobicContact CB-CB 4.38Å; D58-E131 WeakPolarHBondContact OD2-CB 3.46Å; D58-E131 WeakPolarHBondContact OD2-CG 3.32Å; T129-E131 PolarHBondContact OG1-N 3.49Å; E131-P133 WeakPolarHBondContact O-CD 3.4Å
132	T	86.6	Confident	92.3	Very high	59 Å²	59	41.7 Å²	41.7	36%	0.362	22%	0.215	S	C	.	.			trans	-81.3	104.9	174.1	-55.4	0	0	0	0	110.2	K33 V134	K33-T132 HydrophobicContact CG-CG2 4.01Å; T132-V134 HydrophobicContact CG2-CG2 4.26Å
133	P	93.9	Very high	92.6	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.006	21%	0.207	C	C	.	.			trans	-73.3	132.3	179	28.8	-33.7	0	0	0	110.9	R31 V32 K33 D58 L126 T129 E131	R31-P133 HydrophobicContact CG-CG 4.26Å; V32-P133 HydrophobicContact CG2-CB 4.19Å; V32-P133 HydrophobicContact CG2-CG 4.11Å; K33-P133 PolarHBondContact N-O 2.91Å; D58-P133 WeakPolarHBondContact O-CA 3.32Å; L126-P133 HydrophobicContact CB-CB 4.21Å; L126-P133 HydrophobicContact CD2-CB 4.19Å; L126-P133 VanDerWaalsContact O-CB 3.29Å; L126-P133 WeakPolarHBondContact O-CB 3.24Å; T129-P133 HydrophobicContact CG2-CB 3.77Å; T129-P133 HydrophobicContact CG2-CG 4.19Å; E131-P133 WeakPolarHBondContact O-CD 3.4Å
134	V	95.6	Very high	92.9	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	128.6	-179.7	-167.7	0	0	0	0	111	K33 V35 D58 W59 E60 T132 V136 F271	K33-V134 HydrophobicContact CB-CG1 4.26Å; K33-V134 HydrophobicContact CB-CG2 4.16Å; K33-V134 CarbonylContact O-C 3.57Å; K33-V134 WeakPolarHBondContact O-CA 3.41Å; V35-V134 HydrophobicContact CB-CG1 4.31Å; V35-V134 HydrophobicContact CG2-CG1 4.04Å; D58-V134 PolarHBondContact O-N 2.92Å; W59-V134 CarbonylContact C-O 3.55Å; W59-V134 VanDerWaalsContact CA-O 3.31Å; W59-V134 WeakPolarHBondContact CA-O 3.21Å; E60-V134 PolarHBondContact N-O 3.23Å; T132-V134 HydrophobicContact CG2-CG2 4.26Å; V134-V136 HydrophobicContact CG1-CG2 3.88Å; V134-F271 HydrophobicContact CB-CD2 4.32Å; V134-F271 HydrophobicContact CB-CE2 4.12Å; V134-F271 HydrophobicContact CG1-CD2 4.38Å; V134-F271 HydrophobicContact CG1-CE1 4.18Å; V134-F271 HydrophobicContact CG1-CE2 3.98Å; V134-F271 HydrophobicContact CG1-CZ 3.87Å; V134-F271 HydrophobicContact CG2-CB 4.42Å; V134-F271 HydrophobicContact CG2-CD2 3.66Å; V134-F271 HydrophobicContact CG2-CE2 3.98Å; V134-F271 HydrophobicContact CG2-CG 4.03Å
135	Q	96.4	Very high	93.3	Very high	4 Å²	4	35.8 Å²	35.8	2%	0.019	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	122.6	161.7	-74.2	-177.2	-60.5	0	0	109.2	V32 K33 R34 V35 E60 L126 Y137	V32-Q135 HydrophobicContact CG1-CB 4.38Å; V32-Q135 HydrophobicContact CG1-CG 3.79Å; K33-Q135 PolarHBondContact O-N 3.31Å; R34-Q135 HydrophobicContact CG-CB 4.41Å; V35-Q135 PolarHBondContact N-O 2.97Å; E60-Q135 HydrophobicContact CB-CG 4.25Å; E60-Q135 CarbonylContact O-C 3.51Å; E60-Q135 WeakPolarHBondContact O-CA 3.3Å; L126-Q135 HydrophobicContact CD1-CG 3.83Å; Q135-Y137 HydrophobicContact CB-CE2 4.05Å; Q135-Y137 PolarHBondContact OE1-OH 3.39Å
136	V	97.3	Very high	93.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	120	-179.6	-175.3	0	0	0	0	108.9	V35 I37 L52 E60 V61 M62 V134 F271	V35-V136 CarbonylContact O-C 3.57Å; V35-V136 VanDerWaalsContact O-CA 3.3Å; V35-V136 WeakPolarHBondContact O-CA 3.4Å; I37-V136 HydrophobicContact CD1-CG1 3.54Å; I37-V136 HydrophobicContact CG1-CG1 3.58Å; L52-V136 HydrophobicContact CD1-CG1 3.95Å; L52-V136 HydrophobicContact CD1-CG2 4.41Å; E60-V136 PolarHBondContact O-N 3.1Å; V61-V136 CarbonylContact C-O 3.6Å; V61-V136 WeakPolarHBondContact CA-O 3.48Å; V61-V136 HydrophobicContact CG2-CB 4.26Å; M62-V136 PolarHBondContact N-O 2.8Å; V134-V136 HydrophobicContact CG1-CG2 3.88Å; V136-F271 HydrophobicContact CG2-CE2 4.47Å; V136-F271 HydrophobicContact CG2-CZ 3.98Å
137	Y	97.6	Very high	94.1	Very high	4 Å²	4	31.6 Å²	31.6	2%	0.016	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	134.9	-179	-54.9	-80.5	0	0	0	111	R34 V35 S36 I37 M62 Q118 Q135 R139 L183	R34-Y137 HydrophobicContact CB-CE2 3.93Å; R34-Y137 WeakPolarHBondContact CD-OH 3.43Å; R34-Y137 HydrophobicContact CG-CE2 3.88Å; V35-Y137 WeakPolarHBondContact O-CD2 2.96Å; V35-Y137 PolarHBondContact O-N 3.42Å; S36-Y137 CarbonylContact C-O 3.52Å; S36-Y137 WeakPolarHBondContact CA-O 3.42Å; I37-Y137 PolarHBondContact N-O 3.36Å; M62-Y137 HydrophobicContact CB-CD1 3.48Å; M62-Y137 VanDerWaalsContact CB-CD1 3.48Å; M62-Y137 HydrophobicContact CB-CE1 3.94Å; M62-Y137 HydrophobicContact CB-CG 4.42Å; M62-Y137 HydrophobicContact CG-CD1 3.83Å; M62-Y137 HydrophobicContact CG-CE1 3.73Å; Q118-Y137 HydrophobicContact CB-CE1 4.13Å; Q118-Y137 HydrophobicContact CG-CD1 3.66Å; Q118-Y137 HydrophobicContact CG-CE1 3.75Å; Q118-Y137 HydrophobicContact CG-CG 4.18Å; Q135-Y137 HydrophobicContact CB-CE2 4.05Å; Q135-Y137 PolarHBondContact OE1-OH 3.39Å; Y137-R139 WeakPolarHBondContact CB-O 3.35Å; Y137-R139 PolarHBondContact O-N 3Å; Y137-L183 HydrophobicContact CD2-CD2 4.06Å; Y137-L183 HydrophobicContact CE2-CD2 4.43Å
138	E	97.1	Very high	94.5	Very high	5 Å²	5	29.5 Å²	29.5	2%	0.023	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	106.5	163	-73.7	-170.6	-143.3	0	0	109.1	S46 A49 M62 Q63 E64 R114	S46-E138 WeakPolarHBondContact CA-OE1 3.25Å; S46-E138 WeakPolarHBondContact CB-OE1 3.4Å; S46-E138 WeakPolarHBondContact CB-OE2 3.27Å; S46-E138 PolarHBondContact OG-OE1 2.88Å; S46-E138 PolarHBondContact OG-OE2 2.93Å; A49-E138 HydrophobicContact CB-CG 3.87Å; A49-E138 WeakPolarHBondContact CB-OE1 3.31Å; M62-E138 PolarHBondContact O-N 2.96Å; Q63-E138 WeakPolarHBondContact CG-OE1 3.47Å; E64-E138 HydrophobicContact CB-CB 4.14Å; R114-E138 PolarHBondContact NH1-O 3.39Å
139	R	97.8	Very high	95.1	Very high	17 Å²	17	23 Å²	23	6%	0.064	11%	0.108	C	C	.	.	S	Bend	trans	61	175.2	-169	-61.7	-168.5	-179.7	129.5	-7.7	114.6	I37 K45 E64 Y137 S143	I37-R139 WeakPolarHBondContact O-CA 3.41Å; I37-R139 PolarHBondContact O-N 3.33Å; K45-R139 HydrophobicContact CD-CG 4.08Å; E64-R139 WeakPolarHBondContact OE1-CD 3.41Å; E64-R139 IonicContact OE1-CZ 2.63Å; E64-R139 IonicContact OE1-NE 2.76Å; E64-R139 IonicContact OE1-NH1 3.97Å; E64-R139 PolarHBondContact OE1-NH1 3.32Å; E64-R139 IonicContact OE2-CZ 2.74Å; E64-R139 IonicContact OE2-NH1 3.74Å; E64-R139 PolarHBondContact OE2-NH1 3.29Å; Y137-R139 WeakPolarHBondContact CB-O 3.35Å; Y137-R139 PolarHBondContact O-N 3Å; R139-S143 WeakPolarHBondContact CB-OG 3.36Å
140	S	97	Very high	95.7	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.109	C	C	.	.			trans	-134.1	162.1	179.8	64	0	0	0	0	112.6	E38 Y142 S143 D144	E38-S140 VanDerWaalsContact OE1-CB 3.29Å; E38-S140 WeakPolarHBondContact OE1-CB 3.39Å; E38-S140 PolarHBondContact OE1-N 3.31Å; E38-S140 PolarHBondContact OE1-OG 2.91Å; S140-Y142 PolarHBondContact O-N 3.05Å; S140-Y142 VanDerWaalsContact O-N 3.16Å; S140-Y142 PolarHBondContact OG-N 3.22Å; S140-S143 PolarHBondContact N-OG 3.44Å; S140-S143 PolarHBondContact O-N 3.11Å; S140-S143 PolarHBondContact O-OG 3.09Å; S140-S143 PolarHBondContact OG-N 3.39Å; S140-D144 PolarHBondContact O-N 2.79Å
141	V	96.6	Very high	96.4	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-56.5	-28.3	170.7	-67.2	0	0	0	0	111.3	M115 D144 R145 H170 V174	M115-V141 HydrophobicContact CB-CG1 4.21Å; M115-V141 HydrophobicContact CE-CB 4.36Å; M115-V141 HydrophobicContact CE-CG1 3.86Å; M115-V141 HydrophobicContact CE-CG2 4.29Å; M115-V141 HydrophobicContact SD-CG1 4.29Å; V141-D144 WeakPolarHBondContact O-CB 3.47Å; V141-D144 PolarHBondContact O-N 3.44Å; V141-R145 PolarHBondContact O-N 2.89Å; V141-H170 PolarHBondContact O-NE2 2.77Å; V141-H170 VanDerWaalsContact O-NE2 3.1Å; V141-V174 HydrophobicContact CG2-CG2 4.5Å
142	Y	97.4	Very high	97	Very high	12 Å²	12	7.8 Å²	7.8	5%	0.047	4%	0.04	C	C	.	.	H	α-helix	trans	-66.2	-42.7	174.8	-50.9	-64.7	0	0	0	112.4	S140 D144 R145 Y146 V174 L183 F236 L239	S140-Y142 PolarHBondContact O-N 3.05Å; S140-Y142 VanDerWaalsContact O-N 3.16Å; S140-Y142 PolarHBondContact OG-N 3.22Å; Y142-D144 VanDerWaalsContact C-N 3.29Å; Y142-D144 PolarHBondContact O-N 3.08Å; Y142-R145 PolarHBondContact O-N 2.76Å; Y142-Y146 HydrophobicContact CD1-CE2 4.47Å; Y142-Y146 WeakPolarHBondContact O-CB 3.25Å; Y142-Y146 VanDerWaalsContact O-CD2 3.23Å; Y142-Y146 WeakPolarHBondContact O-CD2 3.47Å; Y142-Y146 PolarHBondContact O-N 3.18Å; Y142-V174 HydrophobicContact CE1-CG1 4.34Å; Y142-L183 HydrophobicContact CD2-CD1 3.75Å; Y142-L183 HydrophobicContact CD2-CG 4.32Å; Y142-L183 HydrophobicContact CE2-CD1 3.88Å; Y142-L183 HydrophobicContact CE2-CG 3.93Å; Y142-F236 HydrophobicContact CD1-CD2 4.05Å; Y142-F236 HydrophobicContact CD1-CE2 4.34Å; Y142-F236 AromaticContact CE1-CD2 3.95Å; Y142-F236 HydrophobicContact CE1-CD2 3.95Å; Y142-F236 HydrophobicContact CE1-CE2 4.38Å; Y142-F236 HydrophobicContact CE1-CG 4.39Å; Y142-L239 HydrophobicContact CD1-CD1 4.41Å; Y142-L239 HydrophobicContact CD1-CD2 3.64Å; Y142-L239 HydrophobicContact CD2-CD1 3.84Å; Y142-L239 HydrophobicContact CD2-CD2 4.41Å; Y142-L239 HydrophobicContact CE1-CD2 4.31Å; Y142-L239 HydrophobicContact CE2-CD1 4.16Å; Y142-L239 HydrophobicContact CG-CD1 3.96Å; Y142-L239 HydrophobicContact CG-CD2 3.68Å; Y142-L239 HydrophobicContact CG-CG 4.48Å
143	S	97.9	Very high	97.6	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-65.7	-33.1	174.5	73.3	0	0	0	0	112.3	E38 R139 S140 R145 V147 F148	E38-S143 WeakPolarHBondContact OE1-CB 3.43Å; E38-S143 VanDerWaalsContact OE2-CB 3.23Å; E38-S143 WeakPolarHBondContact OE2-CB 3.31Å; E38-S143 PolarHBondContact OE2-OG 3.31Å; R139-S143 WeakPolarHBondContact CB-OG 3.36Å; S140-S143 PolarHBondContact N-OG 3.44Å; S140-S143 PolarHBondContact O-N 3.11Å; S140-S143 PolarHBondContact O-OG 3.09Å; S140-S143 PolarHBondContact OG-N 3.39Å; S143-R145 VanDerWaalsContact C-N 3.28Å; S143-R145 PolarHBondContact O-N 3.49Å; S143-V147 WeakPolarHBondContact O-CA 3.5Å; S143-V147 VanDerWaalsContact O-CB 3.28Å; S143-V147 WeakPolarHBondContact O-CB 3.47Å; S143-V147 PolarHBondContact O-N 2.91Å; S143-F148 WeakPolarHBondContact O-CD2 3.37Å; S143-F148 PolarHBondContact O-N 2.84Å
144	D	98	Very high	97.8	Very high	2 Å²	2	12.6 Å²	12.6	1%	0.011	6%	0.057	C	C	.	.	I	π-helix	trans	-58.8	-42.7	175.4	-64.2	-36.5	0	0	0	110.1	C111 R114 S140 V141 Y142 A149	C111-D144 WeakPolarHBondContact CA-OD2 3.44Å; C111-D144 HydrophobicContact CB-CB 4.07Å; R114-D144 WeakPolarHBondContact CD-OD2 3.38Å; R114-D144 IonicContact CZ-OD1 3.42Å; R114-D144 IonicContact CZ-OD2 3.75Å; R114-D144 VanDerWaalsContact NE-CG 3.34Å; R114-D144 IonicContact NE-OD1 3.16Å; R114-D144 PolarHBondContact NE-OD1 3.22Å; R114-D144 VanDerWaalsContact NE-OD1 3.16Å; R114-D144 IonicContact NE-OD2 2.77Å; R114-D144 PolarHBondContact NE-OD2 3.47Å; R114-D144 IonicContact NH2-OD1 2.82Å; R114-D144 PolarHBondContact NH2-OD1 2.91Å; R114-D144 IonicContact NH2-OD2 3.82Å; S140-D144 PolarHBondContact O-N 2.79Å; V141-D144 WeakPolarHBondContact O-CB 3.47Å; V141-D144 PolarHBondContact O-N 3.44Å; Y142-D144 VanDerWaalsContact C-N 3.29Å; Y142-D144 PolarHBondContact O-N 3.08Å; D144-A149 VanDerWaalsContact O-CB 3.23Å; D144-A149 WeakPolarHBondContact O-CB 3.41Å; D144-A149 PolarHBondContact O-N 3.35Å
145	R	98.1	Very high	97.9	Very high	5 Å²	5	16.6 Å²	16.6	2%	0.019	8%	0.078	C	C	.	.	I	π-helix	trans	-78.4	-58.1	176.3	179.6	171.4	178	170	-2.9	114.2	V141 Y142 S143 L150 W163 Y166 Q167 H170 S171	V141-R145 PolarHBondContact O-N 2.89Å; Y142-R145 PolarHBondContact O-N 2.76Å; S143-R145 VanDerWaalsContact C-N 3.28Å; S143-R145 PolarHBondContact O-N 3.49Å; R145-L150 VanDerWaalsContact O-CB 3.31Å; R145-L150 WeakPolarHBondContact O-CB 3.15Å; R145-L150 PolarHBondContact O-N 3.48Å; R145-W163 HydrophobicContact CG-CH2 4.14Å; R145-Y166 HydrophobicContact CB-CE1 4.02Å; R145-Y166 HydrophobicContact CG-CE1 4.16Å; R145-Q167 PolarHBondContact NH1-O 2.63Å; R145-Q167 VanDerWaalsContact NH2-OE1 3.16Å; R145-H170 WeakPolarHBondContact CD-ND1 3.34Å; R145-S171 PolarHBondContact NH1-OG 3.42Å
146	Y	98.3	Very high	98	Very high	6 Å²	6	19 Å²	19	2%	0.024	10%	0.103	C	C	.	.	I	π-helix	trans	-84.1	-10.9	-165.8	-63.5	-65.2	0	0	0	114.1	Y142 T232 E233 I234 H235 F236 L239	Y142-Y146 HydrophobicContact CD1-CE2 4.47Å; Y142-Y146 WeakPolarHBondContact O-CB 3.25Å; Y142-Y146 VanDerWaalsContact O-CD2 3.23Å; Y142-Y146 WeakPolarHBondContact O-CD2 3.47Å; Y142-Y146 PolarHBondContact O-N 3.18Å; Y146-T232 HydrophobicContact CD1-CG2 4.02Å; Y146-T232 HydrophobicContact CG-CG2 4.46Å; Y146-E233 WeakPolarHBondContact CE1-O 3.49Å; Y146-I234 HydrophobicContact CD1-CD1 3.62Å; Y146-I234 HydrophobicContact CD2-CD1 3.69Å; Y146-I234 HydrophobicContact CE1-CD1 3.71Å; Y146-I234 HydrophobicContact CE2-CD1 3.79Å; Y146-I234 HydrophobicContact CG-CD1 3.61Å; Y146-H235 AromaticContact CE1-ND1 3.76Å; Y146-H235 PolarHBondContact OH-N 2.99Å; Y146-H235 PolarHBondContact OH-ND1 3.44Å; Y146-F236 AromaticContact CE2-CD2 3.93Å; Y146-F236 HydrophobicContact CE2-CD2 3.93Å; Y146-F236 AromaticContact CE2-CE2 3.93Å; Y146-F236 HydrophobicContact CE2-CE2 3.93Å; Y146-F236 AromaticContact CZ-CE2 3.97Å; Y146-F236 VanDerWaalsContact OH-CD2 3.27Å; Y146-F236 WeakPolarHBondContact OH-CD2 3.49Å; Y146-F236 WeakPolarHBondContact OH-CE2 3.21Å; Y146-L239 HydrophobicContact CD2-CD2 4.19Å; Y146-L239 HydrophobicContact CE2-CD2 3.97Å
147	V	98.6	Very high	98	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.109	C	C	.	.	I	π-helix	trans	-114.1	-64.2	173.7	178.8	0	0	0	0	110	S143 N151 L219 Q222 H223 W226	S143-V147 WeakPolarHBondContact O-CA 3.5Å; S143-V147 VanDerWaalsContact O-CB 3.28Å; S143-V147 WeakPolarHBondContact O-CB 3.47Å; S143-V147 PolarHBondContact O-N 2.91Å; V147-N151 WeakPolarHBondContact O-CB 3.38Å; V147-N151 PolarHBondContact O-N 3.05Å; V147-N151 VanDerWaalsContact O-N 3.11Å; V147-L219 HydrophobicContact CG1-CD2 4.1Å; V147-Q222 HydrophobicContact CB-CB 4.48Å; V147-Q222 HydrophobicContact CG1-CB 4.14Å; V147-H223 WeakPolarHBondContact CG1-CE1 3.4Å; V147-W226 HydrophobicContact CG2-CE3 3.56Å; V147-W226 HydrophobicContact CG2-CZ3 3.96Å
148	F	98.5	Very high	98.1	Very high	14 Å²	14	19.7 Å²	19.7	6%	0.061	11%	0.109	C	C	.	.	I	π-helix	trans	-77.8	-56.6	-167.4	-67.4	-80.8	0	0	0	112.7	V41 S143 N151 M152 L219	V41-F148 HydrophobicContact CG2-CE1 4.42Å; S143-F148 WeakPolarHBondContact O-CD2 3.37Å; S143-F148 PolarHBondContact O-N 2.84Å; F148-N151 PolarHBondContact O-N 3.42Å; F148-M152 WeakPolarHBondContact O-CG 3.48Å; F148-M152 PolarHBondContact O-N 2.94Å; F148-L219 HydrophobicContact CD1-CD1 4.5Å; F148-L219 HydrophobicContact CD1-CD2 3.86Å; F148-L219 HydrophobicContact CE1-CD1 3.87Å; F148-L219 HydrophobicContact CE1-CD2 3.85Å
149	A	98.6	Very high	98.1	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.128	C	C	.	.	I	π-helix	trans	-64.9	-42.7	-178.6	0	0	0	0	0	112.2	Q107 D144 N151 M152 F153 W163 Y166	Q107-A149 HydrophobicContact CB-CB 4.12Å; Q107-A149 HydrophobicContact CG-CB 3.94Å; D144-A149 VanDerWaalsContact O-CB 3.23Å; D144-A149 WeakPolarHBondContact O-CB 3.41Å; D144-A149 PolarHBondContact O-N 3.35Å; A149-N151 VanDerWaalsContact C-N 3.33Å; A149-N151 PolarHBondContact O-N 3.45Å; A149-M152 PolarHBondContact O-N 2.9Å; A149-F153 PolarHBondContact O-N 3.34Å; A149-W163 HydrophobicContact CB-CZ3 3.79Å; A149-Y166 HydrophobicContact CB-CD1 3.91Å; A149-Y166 HydrophobicContact CB-CE1 3.41Å; A149-Y166 VanDerWaalsContact CB-CE1 3.41Å; A149-Y166 HydrophobicContact CB-CE2 4.4Å
150	L	98.6	Very high	98.2	Very high	30 Å²	30	25.7 Å²	25.7	16%	0.157	15%	0.152	C	C	.	.	H	α-helix	trans	-58.3	-44.2	173.3	178.5	59.7	0	0	0	111.8	R145 M152 F153 E154 W163	R145-L150 VanDerWaalsContact O-CB 3.31Å; R145-L150 WeakPolarHBondContact O-CB 3.15Å; R145-L150 PolarHBondContact O-N 3.48Å; L150-M152 PolarHBondContact O-N 2.78Å; L150-F153 HydrophobicContact CD1-CD1 4.44Å; L150-F153 PolarHBondContact O-N 3.36Å; L150-E154 HydrophobicContact CD1-CG 4.34Å; L150-E154 WeakPolarHBondContact O-CG 3.29Å; L150-E154 PolarHBondContact O-N 3.47Å; L150-W163 HydrophobicContact CB-CH2 4.04Å; L150-W163 HydrophobicContact CB-CZ2 4.47Å; L150-W163 HydrophobicContact CD1-CH2 4.33Å; L150-W163 HydrophobicContact CD1-CZ2 3.91Å
151	N	98.5	Very high	98.3	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-63	-40.9	176.5	-176.7	81.1	0	0	0	112.1	V147 F148 A149 F153 E154 L155 Y215 T218 L219 Q222	V147-N151 WeakPolarHBondContact O-CB 3.38Å; V147-N151 PolarHBondContact O-N 3.05Å; V147-N151 VanDerWaalsContact O-N 3.11Å; F148-N151 PolarHBondContact O-N 3.42Å; A149-N151 VanDerWaalsContact C-N 3.33Å; A149-N151 PolarHBondContact O-N 3.45Å; N151-F153 VanDerWaalsContact C-N 3.3Å; N151-F153 PolarHBondContact O-N 3.07Å; N151-E154 PolarHBondContact O-N 3.23Å; N151-L155 VanDerWaalsContact ND2-CD1 3.33Å; N151-L155 WeakPolarHBondContact ND2-CD1 3.44Å; N151-L155 WeakPolarHBondContact O-CB 3.5Å; N151-L155 VanDerWaalsContact O-CG 3.24Å; N151-L155 WeakPolarHBondContact O-CG 3.35Å; N151-L155 PolarHBondContact O-N 2.81Å; N151-Y215 WeakPolarHBondContact ND2-CE2 3.43Å; N151-T218 PolarHBondContact ND2-OG1 2.99Å; N151-T218 WeakPolarHBondContact OD1-CB 3.46Å; N151-T218 PolarHBondContact OD1-OG1 2.61Å; N151-L219 HydrophobicContact CB-CD2 4.09Å; N151-Q222 HydrophobicContact CB-CG 4.14Å
152	M	98.6	Very high	98.4	Very high	4 Å²	4	32.8 Å²	32.8	2%	0.02	19%	0.192	C	C	.	.	H	α-helix	trans	-67.3	-31.7	177.2	-61.4	-46.2	-77.3	0	0	112.4	M95 P99 S103 F148 A149 L150 G156 C157 I158 Y215	M95-M152 HydrophobicContact SD-CE 4.3Å; P99-M152 HydrophobicContact CB-CE 3.68Å; S103-M152 WeakPolarHBondContact OG-CE 3.36Å; F148-M152 WeakPolarHBondContact O-CG 3.48Å; F148-M152 PolarHBondContact O-N 2.94Å; A149-M152 PolarHBondContact O-N 2.9Å; L150-M152 PolarHBondContact O-N 2.78Å; M152-G156 PolarHBondContact O-N 3.47Å; M152-C157 HydrophobicContact CB-CB 4.34Å; M152-C157 HydrophobicContact CE-CB 3.72Å; M152-C157 WeakPolarHBondContact O-CA 3.41Å; M152-C157 WeakPolarHBondContact O-CB 3.42Å; M152-C157 PolarHBondContact O-N 2.91Å; M152-I158 HydrophobicContact CB-CD1 3.71Å; M152-I158 HydrophobicContact CB-CG1 3.82Å; M152-I158 PolarHBondContact O-N 2.78Å; M152-I158 VanDerWaalsContact O-N 3.12Å; M152-Y215 HydrophobicContact SD-CE2 3.84Å
153	F	98.6	Very high	98.4	Very high	70 Å²	70	33.5 Å²	33.5	31%	0.307	20%	0.195	S	C	.	.	H	α-helix	trans	-67.5	-48.5	170.8	173.7	-112.3	0	0	0	111.8	A149 L150 N151 L155 G156 I158 W163	A149-F153 PolarHBondContact O-N 3.34Å; L150-F153 HydrophobicContact CD1-CD1 4.44Å; L150-F153 PolarHBondContact O-N 3.36Å; N151-F153 VanDerWaalsContact C-N 3.3Å; N151-F153 PolarHBondContact O-N 3.07Å; F153-L155 PolarHBondContact O-N 2.82Å; F153-G156 PolarHBondContact O-N 3.18Å; F153-I158 HydrophobicContact CB-CB 4.27Å; F153-I158 WeakPolarHBondContact CD2-O 3.23Å; F153-W163 HydrophobicContact CB-CB 4.4Å; F153-W163 HydrophobicContact CB-CD2 4.05Å; F153-W163 HydrophobicContact CB-CE3 4.23Å; F153-W163 HydrophobicContact CB-CG 4.13Å; F153-W163 AromaticContact CD1-CD1 3.61Å; F153-W163 HydrophobicContact CD1-CD2 4.2Å; F153-W163 AromaticContact CD1-CG 3.93Å; F153-W163 HydrophobicContact CD1-CG 3.93Å; F153-W163 AromaticContact CD1-NE1 3.7Å; F153-W163 HydrophobicContact CD2-CB 3.44Å; F153-W163 VanDerWaalsContact CD2-CB 3.44Å; F153-W163 AromaticContact CD2-CD1 3.83Å; F153-W163 HydrophobicContact CD2-CD2 4.42Å; F153-W163 AromaticContact CD2-CG 3.62Å; F153-W163 HydrophobicContact CD2-CG 3.62Å; F153-W163 AromaticContact CE1-CD1 3.56Å; F153-W163 HydrophobicContact CE1-CG 4.25Å; F153-W163 AromaticContact CE1-NE1 3.79Å; F153-W163 HydrophobicContact CE2-CB 3.82Å; F153-W163 AromaticContact CE2-CD1 3.8Å; F153-W163 AromaticContact CE2-CG 3.99Å; F153-W163 HydrophobicContact CE2-CG 3.99Å; F153-W163 HydrophobicContact CG-CB 3.91Å; F153-W163 AromaticContact CG-CD1 3.75Å; F153-W163 AromaticContact CG-CD2 3.96Å; F153-W163 HydrophobicContact CG-CD2 3.96Å; F153-W163 AromaticContact CG-CG 3.6Å; F153-W163 HydrophobicContact CG-CG 3.6Å; F153-W163 AromaticContact CZ-CD1 3.66Å; F153-W163 HydrophobicContact CZ-CG 4.28Å
154	E	98.2	Very high	98.5	Very high	91 Å²	91	36.2 Å²	36.2	43%	0.425	22%	0.217	S	C	.	.	H	α-helix	trans	-60.6	-30.7	176.9	-73.5	-177.6	-165.3	0	0	112.7	L150 N151 G156 Q222	L150-E154 HydrophobicContact CD1-CG 4.34Å; L150-E154 WeakPolarHBondContact O-CG 3.29Å; L150-E154 PolarHBondContact O-N 3.47Å; N151-E154 PolarHBondContact O-N 3.23Å; E154-G156 VanDerWaalsContact C-N 3.3Å; E154-Q222 PolarHBondContact OE1-NE2 3.46Å; E154-Q222 VanDerWaalsContact OE1-NE2 3.09Å
155	L	97.7	Very high	98.5	Very high	83 Å²	83	39.2 Å²	39.2	44%	0.435	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	1.1	174.8	-67.4	176.5	0	0	0	113.9	N151 F153 C157 Y215 T218	N151-L155 VanDerWaalsContact ND2-CD1 3.33Å; N151-L155 WeakPolarHBondContact ND2-CD1 3.44Å; N151-L155 WeakPolarHBondContact O-CB 3.5Å; N151-L155 VanDerWaalsContact O-CG 3.24Å; N151-L155 WeakPolarHBondContact O-CG 3.35Å; N151-L155 PolarHBondContact O-N 2.81Å; F153-L155 PolarHBondContact O-N 2.82Å; L155-C157 VanDerWaalsContact C-N 3.26Å; L155-C157 PolarHBondContact O-N 2.92Å; L155-Y215 HydrophobicContact CD1-CD2 3.91Å; L155-Y215 HydrophobicContact CD1-CE2 4.13Å; L155-T218 HydrophobicContact CD2-CG2 4.39Å
156	G	98.2	Very high	98.5	Very high	54 Å²	54	39 Å²	39	56%	0.557	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.1	12.6	179.6	0	0	0	0	0	115.1	M152 F153 E154	M152-G156 PolarHBondContact O-N 3.47Å; F153-G156 PolarHBondContact O-N 3.18Å; E154-G156 VanDerWaalsContact C-N 3.3Å
157	C	98.4	Very high	98.5	Very high	18 Å²	18	40.9 Å²	40.9	12%	0.122	24%	0.244	C	C	.	.	S	Bend	trans	-86.4	-16.3	176.9	-62.3	0	0	0	0	112.9	P99 M152 L155	P99-C157 HydrophobicContact CB-CB 4.18Å; M152-C157 HydrophobicContact CB-CB 4.34Å; M152-C157 HydrophobicContact CE-CB 3.72Å; M152-C157 WeakPolarHBondContact O-CA 3.41Å; M152-C157 WeakPolarHBondContact O-CB 3.42Å; M152-C157 PolarHBondContact O-N 2.91Å; L155-C157 VanDerWaalsContact C-N 3.26Å; L155-C157 PolarHBondContact O-N 2.92Å
158	I	98.7	Very high	98.5	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.005	28%	0.275	C	S	.	.	S	Bend	trans	-117.1	127	166.1	-66.4	-179.4	0	0	0	105.5	Q107 M152 F153 E162 W163	Q107-I158 HydrophobicContact CG-CD1 4Å; M152-I158 HydrophobicContact CB-CD1 3.71Å; M152-I158 HydrophobicContact CB-CG1 3.82Å; M152-I158 PolarHBondContact O-N 2.78Å; M152-I158 VanDerWaalsContact O-N 3.12Å; F153-I158 HydrophobicContact CB-CB 4.27Å; F153-I158 WeakPolarHBondContact CD2-O 3.23Å; I158-E162 HydrophobicContact CG2-CB 3.59Å; I158-W163 HydrophobicContact CG2-CB 3.92Å
159	N	98.6	Very high	98.5	Very high	81 Å²	81	48.8 Å²	48.8	43%	0.433	28%	0.282	S	S	.	.			trans	-82.4	173.7	178.4	70.4	54.7	0	0	0	112	T161 E162 W163	N159-T161 VanDerWaalsContact C-N 3.33Å; N159-T161 PolarHBondContact O-N 3.18Å; N159-T161 WeakPolarHBondContact OD1-CA 3.38Å; N159-T161 WeakPolarHBondContact OD1-CB 3.32Å; N159-T161 PolarHBondContact OD1-N 2.6Å; N159-E162 PolarHBondContact N-OE2 3.46Å; N159-E162 VanDerWaalsContact ND2-CD 3.31Å; N159-E162 PolarHBondContact ND2-OE2 2.91Å; N159-E162 PolarHBondContact O-N 2.83Å; N159-E162 PolarHBondContact OD1-N 2.79Å; N159-W163 WeakPolarHBondContact O-CB 3.37Å; N159-W163 PolarHBondContact O-N 2.8Å
160	A	98.6	Very high	98.4	Very high	68 Å²	68	48.8 Å²	48.8	56%	0.562	28%	0.283	S	S	*	.	H	α-helix	trans	-59.9	-38.3	-177.1	0	0	0	0	0	113.8	A164	A160-A164 WeakPolarHBondContact O-CB 3.3Å; A160-A164 PolarHBondContact O-N 3.33Å
161	T	98.7	Very high	98.3	Very high	106 Å²	106	48.5 Å²	48.5	65%	0.65	28%	0.283	S	S	*	.	H	α-helix	trans	-68.7	-46	178.4	-56.8	0	0	0	0	111	N159 W163 A164 T165	N159-T161 VanDerWaalsContact C-N 3.33Å; N159-T161 PolarHBondContact O-N 3.18Å; N159-T161 WeakPolarHBondContact OD1-CA 3.38Å; N159-T161 WeakPolarHBondContact OD1-CB 3.32Å; N159-T161 PolarHBondContact OD1-N 2.6Å; T161-W163 VanDerWaalsContact C-N 3.33Å; T161-W163 PolarHBondContact O-N 3.34Å; T161-A164 PolarHBondContact O-N 3.14Å; T161-T165 WeakPolarHBondContact O-CB 3.33Å; T161-T165 PolarHBondContact O-N 3.26Å; T161-T165 PolarHBondContact O-OG1 2.74Å
162	E	98.8	Very high	98.2	Very high	43 Å²	43	52.6 Å²	52.6	20%	0.201	30%	0.304	C	S	.	.	H	α-helix	trans	-63	-40.9	176.4	-70.4	175	138.7	0	0	111.4	Y104 I158 N159 T165 Y166	Y104-E162 HydrophobicContact CD2-CB 3.64Å; Y104-E162 HydrophobicContact CD2-CG 4.13Å; Y104-E162 HydrophobicContact CE2-CB 4.23Å; Y104-E162 WeakPolarHBondContact CE2-O 3.47Å; Y104-E162 HydrophobicContact CG-CB 4Å; Y104-E162 HydrophobicContact CG-CG 4.02Å; I158-E162 HydrophobicContact CG2-CB 3.59Å; N159-E162 PolarHBondContact N-OE2 3.46Å; N159-E162 VanDerWaalsContact ND2-CD 3.31Å; N159-E162 PolarHBondContact ND2-OE2 2.91Å; N159-E162 PolarHBondContact O-N 2.83Å; N159-E162 PolarHBondContact OD1-N 2.79Å; E162-T165 PolarHBondContact O-N 3.2Å; E162-Y166 VanDerWaalsContact O-CB 3.29Å; E162-Y166 WeakPolarHBondContact O-CB 3.42Å; E162-Y166 PolarHBondContact O-N 2.66Å
163	W	98.8	Very high	98	Very high	27 Å²	27	54.2 Å²	54.2	10%	0.102	31%	0.312	C	S	.	.	H	α-helix	trans	-65.4	-47	177.3	179	-127.7	0	0	0	112	R145 A149 L150 F153 I158 N159 T161 T165 Y166 Q167	R145-W163 HydrophobicContact CG-CH2 4.14Å; A149-W163 HydrophobicContact CB-CZ3 3.79Å; L150-W163 HydrophobicContact CB-CH2 4.04Å; L150-W163 HydrophobicContact CB-CZ2 4.47Å; L150-W163 HydrophobicContact CD1-CH2 4.33Å; L150-W163 HydrophobicContact CD1-CZ2 3.91Å; F153-W163 HydrophobicContact CB-CB 4.4Å; F153-W163 HydrophobicContact CB-CD2 4.05Å; F153-W163 HydrophobicContact CB-CE3 4.23Å; F153-W163 HydrophobicContact CB-CG 4.13Å; F153-W163 AromaticContact CD1-CD1 3.61Å; F153-W163 HydrophobicContact CD1-CD2 4.2Å; F153-W163 AromaticContact CD1-CG 3.93Å; F153-W163 HydrophobicContact CD1-CG 3.93Å; F153-W163 AromaticContact CD1-NE1 3.7Å; F153-W163 HydrophobicContact CD2-CB 3.44Å; F153-W163 VanDerWaalsContact CD2-CB 3.44Å; F153-W163 AromaticContact CD2-CD1 3.83Å; F153-W163 HydrophobicContact CD2-CD2 4.42Å; F153-W163 AromaticContact CD2-CG 3.62Å; F153-W163 HydrophobicContact CD2-CG 3.62Å; F153-W163 AromaticContact CE1-CD1 3.56Å; F153-W163 HydrophobicContact CE1-CG 4.25Å; F153-W163 AromaticContact CE1-NE1 3.79Å; F153-W163 HydrophobicContact CE2-CB 3.82Å; F153-W163 AromaticContact CE2-CD1 3.8Å; F153-W163 AromaticContact CE2-CG 3.99Å; F153-W163 HydrophobicContact CE2-CG 3.99Å; F153-W163 HydrophobicContact CG-CB 3.91Å; F153-W163 AromaticContact CG-CD1 3.75Å; F153-W163 AromaticContact CG-CD2 3.96Å; F153-W163 HydrophobicContact CG-CD2 3.96Å; F153-W163 AromaticContact CG-CG 3.6Å; F153-W163 HydrophobicContact CG-CG 3.6Å; F153-W163 AromaticContact CZ-CD1 3.66Å; F153-W163 HydrophobicContact CZ-CG 4.28Å; I158-W163 HydrophobicContact CG2-CB 3.92Å; N159-W163 WeakPolarHBondContact O-CB 3.37Å; N159-W163 PolarHBondContact O-N 2.8Å; T161-W163 VanDerWaalsContact C-N 3.33Å; T161-W163 PolarHBondContact O-N 3.34Å; W163-T165 VanDerWaalsContact C-N 3.31Å; W163-T165 PolarHBondContact O-N 3.04Å; W163-Y166 HydrophobicContact CE3-CD1 4.09Å; W163-Y166 AromaticContact CZ3-CD1 3.69Å; W163-Y166 HydrophobicContact CZ3-CD1 3.69Å; W163-Y166 HydrophobicContact CZ3-CE1 4.18Å; W163-Y166 PolarHBondContact O-N 3.47Å; W163-Q167 HydrophobicContact CD2-CG 3.88Å; W163-Q167 HydrophobicContact CE3-CG 4.08Å; W163-Q167 HydrophobicContact CH2-CG 3.87Å; W163-Q167 VanDerWaalsContact CZ2-CD 3.47Å; W163-Q167 HydrophobicContact CZ2-CG 3.64Å; W163-Q167 HydrophobicContact CZ3-CG 4.07Å; W163-Q167 WeakPolarHBondContact O-CB 3.35Å; W163-Q167 VanDerWaalsContact O-CG 3.26Å; W163-Q167 WeakPolarHBondContact O-CG 3.36Å; W163-Q167 PolarHBondContact O-N 3.16Å
164	A	98.6	Very high	97.8	Very high	56 Å²	56	51.3 Å²	51.3	46%	0.463	30%	0.3	S	S	.	.	H	α-helix	trans	-58.3	-45	175.1	0	0	0	0	0	111.5	A160 T161 Q167 D168	A160-A164 WeakPolarHBondContact O-CB 3.3Å; A160-A164 PolarHBondContact O-N 3.33Å; T161-A164 PolarHBondContact O-N 3.14Å; A164-Q167 PolarHBondContact O-N 3.36Å; A164-D168 PolarHBondContact O-N 3.03Å
165	T	98.7	Very high	97.5	Very high	66 Å²	66	53.3 Å²	53.3	41%	0.405	31%	0.31	S	S	.	.	H	α-helix	trans	-64.4	-44.1	178.5	-53.1	0	0	0	0	111.9	Y104 T161 E162 W163 Q167 D168 W169	Y104-T165 WeakPolarHBondContact OH-CG2 3.45Å; T161-T165 WeakPolarHBondContact O-CB 3.33Å; T161-T165 PolarHBondContact O-N 3.26Å; T161-T165 PolarHBondContact O-OG1 2.74Å; E162-T165 PolarHBondContact O-N 3.2Å; W163-T165 VanDerWaalsContact C-N 3.31Å; W163-T165 PolarHBondContact O-N 3.04Å; T165-Q167 VanDerWaalsContact C-N 3.34Å; T165-Q167 PolarHBondContact O-N 2.74Å; T165-D168 PolarHBondContact O-N 2.82Å; T165-W169 VanDerWaalsContact O-CB 3.32Å; T165-W169 WeakPolarHBondContact O-CB 3.4Å; T165-W169 PolarHBondContact O-N 3.18Å
166	Y	98.7	Very high	97.3	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-62.2	-42.5	177.6	179.4	-92.5	0	0	0	111.7	Q107 R145 A149 E162 W163 W169 H170	Q107-Y166 HydrophobicContact CB-CD2 4.38Å; Q107-Y166 HydrophobicContact CB-CE2 3.84Å; R145-Y166 HydrophobicContact CB-CE1 4.02Å; R145-Y166 HydrophobicContact CG-CE1 4.16Å; A149-Y166 HydrophobicContact CB-CD1 3.91Å; A149-Y166 HydrophobicContact CB-CE1 3.41Å; A149-Y166 VanDerWaalsContact CB-CE1 3.41Å; A149-Y166 HydrophobicContact CB-CE2 4.4Å; E162-Y166 VanDerWaalsContact O-CB 3.29Å; E162-Y166 WeakPolarHBondContact O-CB 3.42Å; E162-Y166 PolarHBondContact O-N 2.66Å; W163-Y166 HydrophobicContact CE3-CD1 4.09Å; W163-Y166 AromaticContact CZ3-CD1 3.69Å; W163-Y166 HydrophobicContact CZ3-CD1 3.69Å; W163-Y166 HydrophobicContact CZ3-CE1 4.18Å; W163-Y166 PolarHBondContact O-N 3.47Å; Y166-W169 HydrophobicContact CD2-CE3 4.27Å; Y166-W169 HydrophobicContact CD2-CZ3 4.49Å; Y166-W169 HydrophobicContact CE2-CE3 4.23Å; Y166-W169 HydrophobicContact CE2-CZ3 4.02Å; Y166-H170 HydrophobicContact CE1-CB 4.39Å; Y166-H170 WeakPolarHBondContact O-CB 3.37Å; Y166-H170 PolarHBondContact O-N 3.09Å
167	Q	98.4	Very high	97.1	Very high	46 Å²	46	55.3 Å²	55.3	22%	0.215	30%	0.302	C	S	.	.	H	α-helix	trans	-63.7	-46.7	178.5	-73.8	-175	100.5	0	0	112.1	R145 W163 A164 T165 H170 S171	R145-Q167 PolarHBondContact NH1-O 2.63Å; R145-Q167 VanDerWaalsContact NH2-OE1 3.16Å; W163-Q167 HydrophobicContact CD2-CG 3.88Å; W163-Q167 HydrophobicContact CE3-CG 4.08Å; W163-Q167 HydrophobicContact CH2-CG 3.87Å; W163-Q167 VanDerWaalsContact CZ2-CD 3.47Å; W163-Q167 HydrophobicContact CZ2-CG 3.64Å; W163-Q167 HydrophobicContact CZ3-CG 4.07Å; W163-Q167 WeakPolarHBondContact O-CB 3.35Å; W163-Q167 VanDerWaalsContact O-CG 3.26Å; W163-Q167 WeakPolarHBondContact O-CG 3.36Å; W163-Q167 PolarHBondContact O-N 3.16Å; A164-Q167 PolarHBondContact O-N 3.36Å; T165-Q167 VanDerWaalsContact C-N 3.34Å; T165-Q167 PolarHBondContact O-N 2.74Å; Q167-H170 PolarHBondContact O-N 2.67Å; Q167-S171 WeakPolarHBondContact O-CB 3.41Å; Q167-S171 PolarHBondContact O-N 3.11Å; Q167-S171 PolarHBondContact O-OG 3.3Å; Q167-S171 VanDerWaalsContact O-OG 3.05Å
168	D	98.1	Very high	96.5	Very high	121 Å²	121	54.9 Å²	54.9	65%	0.647	30%	0.3	S	S	*	.	H	α-helix	trans	-61	-49.7	178	-172.1	58.5	0	0	0	111	A164 T165 H170 S171 L172	A164-D168 PolarHBondContact O-N 3.03Å; T165-D168 PolarHBondContact O-N 2.82Å; D168-H170 PolarHBondContact O-N 3.28Å; D168-S171 PolarHBondContact O-N 3.46Å; D168-L172 WeakPolarHBondContact O-CB 3.48Å; D168-L172 PolarHBondContact O-N 3.05Å
169	W	97.8	Very high	96	Very high	58 Å²	58	60.9 Å²	60.9	22%	0.22	33%	0.328	C	S	.	.	H	α-helix	trans	-58	-46.4	175.6	171.3	78.6	0	0	0	112.5	C111 V112 T165 Y166 L172 M173	C111-W169 HydrophobicContact CB-CH2 3.74Å; C111-W169 HydrophobicContact CB-CZ3 3.8Å; V112-W169 HydrophobicContact CG2-CH2 3.7Å; V112-W169 HydrophobicContact CG2-CZ2 3.32Å; T165-W169 VanDerWaalsContact O-CB 3.32Å; T165-W169 WeakPolarHBondContact O-CB 3.4Å; T165-W169 PolarHBondContact O-N 3.18Å; Y166-W169 HydrophobicContact CD2-CE3 4.27Å; Y166-W169 HydrophobicContact CD2-CZ3 4.49Å; Y166-W169 HydrophobicContact CE2-CE3 4.23Å; Y166-W169 HydrophobicContact CE2-CZ3 4.02Å; W169-L172 PolarHBondContact O-N 3.29Å; W169-M173 HydrophobicContact CD2-CG 4.3Å; W169-M173 HydrophobicContact CH2-CG 4.38Å; W169-M173 HydrophobicContact CZ2-CG 3.69Å; W169-M173 HydrophobicContact CZ2-SD 4.46Å; W169-M173 VanDerWaalsContact O-CG 3.31Å; W169-M173 WeakPolarHBondContact O-CG 3.33Å; W169-M173 PolarHBondContact O-N 3.48Å
170	H	97.7	Very high	95.5	Very high	1 Å²	1	62.5 Å²	62.5	1%	0.005	33%	0.328	C	S	.	.	H	α-helix	trans	-65.7	-43.3	179	176.2	-69.4	0	0	0	111.4	V141 R145 Y166 Q167 D168 M173 V174 F236	V141-H170 PolarHBondContact O-NE2 2.77Å; V141-H170 VanDerWaalsContact O-NE2 3.1Å; R145-H170 WeakPolarHBondContact CD-ND1 3.34Å; Y166-H170 HydrophobicContact CE1-CB 4.39Å; Y166-H170 WeakPolarHBondContact O-CB 3.37Å; Y166-H170 PolarHBondContact O-N 3.09Å; Q167-H170 PolarHBondContact O-N 2.67Å; D168-H170 PolarHBondContact O-N 3.28Å; H170-M173 PolarHBondContact O-N 3.16Å; H170-V174 VanDerWaalsContact CE1-CG2 3.41Å; H170-V174 WeakPolarHBondContact CE1-CG2 3.49Å; H170-V174 WeakPolarHBondContact O-CG2 3.12Å; H170-V174 PolarHBondContact O-N 3.3Å; H170-F236 AromaticContact CE1-CE2 3.68Å; H170-F236 AromaticContact CE1-CZ 3.83Å; H170-F236 AromaticContact ND1-CZ 3.81Å
171	S	96.3	Very high	95	Very high	23 Å²	23	59.2 Å²	59.2	16%	0.161	30%	0.301	C	S	.	.	H	α-helix	trans	-58.2	-49.4	176.4	-70.2	0	0	0	0	110.4	R145 Q167 D168 M173 V174 E175	R145-S171 PolarHBondContact NH1-OG 3.42Å; Q167-S171 WeakPolarHBondContact O-CB 3.41Å; Q167-S171 PolarHBondContact O-N 3.11Å; Q167-S171 PolarHBondContact O-OG 3.3Å; Q167-S171 VanDerWaalsContact O-OG 3.05Å; D168-S171 PolarHBondContact O-N 3.46Å; S171-M173 VanDerWaalsContact C-N 3.32Å; S171-M173 PolarHBondContact O-N 2.76Å; S171-V174 PolarHBondContact O-N 3.43Å; S171-V174 VanDerWaalsContact O-N 3.14Å; S171-E175 WeakPolarHBondContact O-CB 3.01Å; S171-E175 VanDerWaalsContact O-CG 3.3Å; S171-E175 WeakPolarHBondContact O-CG 3.28Å; S171-E175 PolarHBondContact O-N 3Å
172	L	96.2	Very high	94.7	Very high	87 Å²	87	56.5 Å²	56.5	46%	0.455	28%	0.281	S	S	.	.	H	α-helix	trans	-55.5	-46.7	175.5	178.5	65.9	0	0	0	111.7	D168 W169 V174 E175 Q176	D168-L172 WeakPolarHBondContact O-CB 3.48Å; D168-L172 PolarHBondContact O-N 3.05Å; W169-L172 PolarHBondContact O-N 3.29Å; L172-V174 PolarHBondContact O-N 3.34Å; L172-E175 PolarHBondContact O-N 3.03Å; L172-Q176 HydrophobicContact CD1-CG 4.08Å; L172-Q176 HydrophobicContact CG-CG 4.48Å; L172-Q176 VanDerWaalsContact O-CG 3.29Å; L172-Q176 WeakPolarHBondContact O-CG 3.46Å; L172-Q176 PolarHBondContact O-N 3.19Å
173	M	94.6	Very high	94.5	Very high	38 Å²	38	54.9 Å²	54.9	19%	0.187	27%	0.273	C	S	.	.	H	α-helix	trans	-61.4	-42.4	178.7	-74	-62.7	-62	0	0	112.4	M115 W169 H170 S171 F177	M115-M173 HydrophobicContact CE-CB 4.1Å; M115-M173 HydrophobicContact CE-CE 4.45Å; M115-M173 HydrophobicContact CG-CE 3.77Å; W169-M173 HydrophobicContact CD2-CG 4.3Å; W169-M173 HydrophobicContact CH2-CG 4.38Å; W169-M173 HydrophobicContact CZ2-CG 3.69Å; W169-M173 HydrophobicContact CZ2-SD 4.46Å; W169-M173 VanDerWaalsContact O-CG 3.31Å; W169-M173 WeakPolarHBondContact O-CG 3.33Å; W169-M173 PolarHBondContact O-N 3.48Å; H170-M173 PolarHBondContact O-N 3.16Å; S171-M173 VanDerWaalsContact C-N 3.32Å; S171-M173 PolarHBondContact O-N 2.76Å; M173-F177 HydrophobicContact CE-CD2 3.54Å; M173-F177 HydrophobicContact CE-CE2 3.62Å; M173-F177 VanDerWaalsContact O-CB 3.3Å; M173-F177 WeakPolarHBondContact O-CB 3.33Å; M173-F177 VanDerWaalsContact O-CD2 3.32Å; M173-F177 WeakPolarHBondContact O-CD2 2.9Å; M173-F177 PolarHBondContact O-N 2.71Å; M173-F177 HydrophobicContact SD-CD2 4.06Å; M173-F177 HydrophobicContact SD-CE2 3.84Å
174	V	93.2	Very high	94.4	Very high	10 Å²	10	55.9 Å²	55.9	6%	0.061	28%	0.279	C	S	.	.	H	α-helix	trans	-72.8	-32.4	177.5	177.2	0	0	0	0	111.8	V141 Y142 H170 S171 L172 G178 F236	V141-V174 HydrophobicContact CG2-CG2 4.5Å; Y142-V174 HydrophobicContact CE1-CG1 4.34Å; H170-V174 VanDerWaalsContact CE1-CG2 3.41Å; H170-V174 WeakPolarHBondContact CE1-CG2 3.49Å; H170-V174 WeakPolarHBondContact O-CG2 3.12Å; H170-V174 PolarHBondContact O-N 3.3Å; S171-V174 PolarHBondContact O-N 3.43Å; S171-V174 VanDerWaalsContact O-N 3.14Å; L172-V174 PolarHBondContact O-N 3.34Å; V174-G178 WeakPolarHBondContact O-CA 3.25Å; V174-G178 PolarHBondContact O-N 3.24Å; V174-F236 HydrophobicContact CB-CD1 4.42Å; V174-F236 HydrophobicContact CB-CE1 3.63Å; V174-F236 HydrophobicContact CB-CZ 3.73Å; V174-F236 HydrophobicContact CG1-CD1 3.65Å; V174-F236 HydrophobicContact CG1-CE1 3.36Å; V174-F236 HydrophobicContact CG1-CE2 4.39Å; V174-F236 HydrophobicContact CG1-CG 4.29Å; V174-F236 HydrophobicContact CG1-CZ 3.78Å; V174-F236 HydrophobicContact CG2-CE1 4.35Å; V174-F236 HydrophobicContact CG2-CE2 4.46Å; V174-F236 HydrophobicContact CG2-CZ 3.96Å
175	E	92.7	Very high	94.4	Very high	132 Å²	132	53.2 Å²	53.2	62%	0.617	26%	0.257	S	S	*	.	H	α-helix	trans	-64.8	-45.5	173.7	-73.9	166.1	-164.7	0	0	111.5	S171 L172	S171-E175 WeakPolarHBondContact O-CB 3.01Å; S171-E175 VanDerWaalsContact O-CG 3.3Å; S171-E175 WeakPolarHBondContact O-CG 3.28Å; S171-E175 PolarHBondContact O-N 3Å; L172-E175 PolarHBondContact O-N 3.03Å
176	Q	93.9	Very high	94.4	Very high	113 Å²	113	50 Å²	50	53%	0.528	24%	0.238	S	C	.	.	H	α-helix	trans	-73.3	-38.2	-178.6	-63.1	-52	-54.1	0	0	112.8	L172 H179	L172-Q176 HydrophobicContact CD1-CG 4.08Å; L172-Q176 HydrophobicContact CG-CG 4.48Å; L172-Q176 VanDerWaalsContact O-CG 3.29Å; L172-Q176 WeakPolarHBondContact O-CG 3.46Å; L172-Q176 PolarHBondContact O-N 3.19Å; Q176-H179 PolarHBondContact O-CE1 3.37Å
177	F	92.9	Very high	94.4	Very high	67 Å²	67	50 Å²	50	29%	0.294	24%	0.238	S	C	.	.	H	α-helix	trans	-117.2	-7.1	-169.1	-59.6	-66	0	0	0	114.6	M115 L119 M173 H179 R180 V181	M115-F177 HydrophobicContact SD-CB 4.19Å; L119-F177 HydrophobicContact CD1-CB 4.42Å; L119-F177 HydrophobicContact CD1-CD1 4.09Å; L119-F177 HydrophobicContact CD1-CG 4.16Å; L119-F177 HydrophobicContact CD2-CB 4.07Å; L119-F177 HydrophobicContact CD2-CD1 4.19Å; L119-F177 HydrophobicContact CD2-CG 4.42Å; M173-F177 HydrophobicContact CE-CD2 3.54Å; M173-F177 HydrophobicContact CE-CE2 3.62Å; M173-F177 VanDerWaalsContact O-CB 3.3Å; M173-F177 WeakPolarHBondContact O-CB 3.33Å; M173-F177 VanDerWaalsContact O-CD2 3.32Å; M173-F177 WeakPolarHBondContact O-CD2 2.9Å; M173-F177 PolarHBondContact O-N 2.71Å; M173-F177 HydrophobicContact SD-CD2 4.06Å; M173-F177 HydrophobicContact SD-CE2 3.84Å; F177-H179 VanDerWaalsContact C-N 3.32Å; F177-H179 PolarHBondContact O-N 3.39Å; F177-R180 WeakPolarHBondContact O-CB 3.46Å; F177-R180 PolarHBondContact O-N 2.76Å; F177-V181 PolarHBondContact O-N 3.11Å
178	G	86.4	Confident	94.4	Very high	9 Å²	9	48 Å²	48	9%	0.093	23%	0.228	C	C	.	.	H	α-helix	trans	-54.6	-43.6	-172.3	0	0	0	0	0	113.2	V174 R180 V181 E182	V174-G178 WeakPolarHBondContact O-CA 3.25Å; V174-G178 PolarHBondContact O-N 3.24Å; G178-R180 PolarHBondContact O-N 2.95Å; G178-V181 CarbonylContact O-C 3.56Å; G178-V181 PolarHBondContact O-N 3.4Å; G178-E182 WeakPolarHBondContact O-CA 3.23Å; G178-E182 VanDerWaalsContact O-CB 3.29Å; G178-E182 WeakPolarHBondContact O-CB 3.43Å; G178-E182 PolarHBondContact O-N 2.92Å
179	H	88.1	Confident	94.4	Very high	127 Å²	127	42.2 Å²	42.2	59%	0.588	20%	0.197	S	C	*	.	H	α-helix	trans	-55.8	-21.1	177.1	67.9	-81.3	0	0	0	114.2	R34 Q176 F177	R34-H179 PolarHBondContact NH2-O 3.14Å; Q176-H179 PolarHBondContact O-CE1 3.37Å; F177-H179 VanDerWaalsContact C-N 3.32Å; F177-H179 PolarHBondContact O-N 3.39Å
180	R	89.3	Confident	94.5	Very high	114 Å²	114	43.5 Å²	43.5	43%	0.43	20%	0.202	S	C	.	.	H	α-helix	trans	-96.5	-21.6	178.2	-59.3	176.4	57	-176	-5.7	113.8	R34 L119 F177 G178	R34-R180 PolarHBondContact NE-O 2.75Å; L119-R180 HydrophobicContact CD2-CB 3.69Å; L119-R180 HydrophobicContact CD2-CG 4.37Å; L119-R180 PolarHBondContact O-NH2 2.92Å; F177-R180 WeakPolarHBondContact O-CB 3.46Å; F177-R180 PolarHBondContact O-N 2.76Å; G178-R180 PolarHBondContact O-N 2.95Å
181	V	88	Confident	94.5	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-117.2	5.5	-176.2	-56.1	0	0	0	0	112.8	M115 Q118 L119 F177 G178 L183	M115-V181 HydrophobicContact CE-CG2 4.29Å; M115-V181 HydrophobicContact SD-CB 4.34Å; M115-V181 HydrophobicContact SD-CG1 3.75Å; M115-V181 HydrophobicContact SD-CG2 3.88Å; Q118-V181 HydrophobicContact CB-CB 4.05Å; Q118-V181 HydrophobicContact CB-CG1 3.55Å; L119-V181 HydrophobicContact CD2-CG1 3.78Å; L119-V181 HydrophobicContact CG-CG1 3.96Å; F177-V181 PolarHBondContact O-N 3.11Å; G178-V181 CarbonylContact O-C 3.56Å; G178-V181 PolarHBondContact O-N 3.4Å; V181-L183 PolarHBondContact O-N 3.03Å
182	E	91.3	Very high	94.6	Very high	48 Å²	48	45 Å²	45	22%	0.224	21%	0.213	C	C	.	.			trans	-58.8	131.5	179	-167.6	-176.3	132.9	0	0	110.2	R34 G178 K238	R34-E182 WeakPolarHBondContact CB-O 3.39Å; R34-E182 PolarHBondContact NE-O 3.49Å; R34-E182 PolarHBondContact NH2-O 3.4Å; G178-E182 WeakPolarHBondContact O-CA 3.23Å; G178-E182 VanDerWaalsContact O-CB 3.29Å; G178-E182 WeakPolarHBondContact O-CB 3.43Å; G178-E182 PolarHBondContact O-N 2.92Å; E182-K238 HydrophobicContact CG-CD 4.25Å; E182-K238 WeakPolarHBondContact OE1-CD 3.29Å; E182-K238 WeakPolarHBondContact OE1-CE 3.31Å; E182-K238 IonicContact OE1-NZ 3.58Å; E182-K238 PolarHBondContact OE1-NZ 3.23Å; E182-K238 IonicContact OE2-NZ 2.74Å; E182-K238 PolarHBondContact OE2-NZ 3.36Å
183	L	95.8	Very high	94.7	Very high	9 Å²	9	41.7 Å²	41.7	5%	0.047	20%	0.197	C	C	.	.			trans	-92.7	144.5	177.8	-62	175.7	0	0	0	110.8	R34 S36 Y137 Y142 V181 I186 I242	R34-L183 HydrophobicContact CB-CD2 4.31Å; R34-L183 CarbonylContact O-C 3.52Å; R34-L183 WeakPolarHBondContact O-CA 3.29Å; S36-L183 WeakPolarHBondContact OG-CD1 3.44Å; Y137-L183 HydrophobicContact CD2-CD2 4.06Å; Y137-L183 HydrophobicContact CE2-CD2 4.43Å; Y142-L183 HydrophobicContact CD2-CD1 3.75Å; Y142-L183 HydrophobicContact CD2-CG 4.32Å; Y142-L183 HydrophobicContact CE2-CD1 3.88Å; Y142-L183 HydrophobicContact CE2-CG 3.93Å; V181-L183 PolarHBondContact O-N 3.03Å; L183-I186 HydrophobicContact CD1-CG1 4.43Å; L183-I242 HydrophobicContact CB-CD1 3.45Å; L183-I242 VanDerWaalsContact CB-CD1 3.45Å; L183-I242 HydrophobicContact CD1-CD1 4.47Å; L183-I242 WeakPolarHBondContact O-CD1 3.12Å
184	E	96.4	Very high	94.8	Very high	48 Å²	48	46.4 Å²	46.4	22%	0.224	22%	0.216	C	C	.	.	S	Bend	trans	-100.5	-18	172.2	-73	164.8	-79.8	0	0	112	K33 R34 P243 L274	K33-E184 WeakPolarHBondContact CA-OE1 3.41Å; K33-E184 WeakPolarHBondContact CD-OE1 3.4Å; K33-E184 WeakPolarHBondContact CD-OE2 3.33Å; K33-E184 WeakPolarHBondContact CE-OE2 3.38Å; K33-E184 IonicContact NZ-OE2 3.38Å; K33-E184 PolarHBondContact NZ-OE2 2.83Å; R34-E184 PolarHBondContact N-OE1 2.82Å; R34-E184 VanDerWaalsContact N-OE1 3.09Å; R34-E184 PolarHBondContact O-N 3.23Å; E184-P243 VanDerWaalsContact O-CD 3.24Å; E184-P243 WeakPolarHBondContact O-CD 3.46Å; E184-P243 WeakPolarHBondContact O-CG 3.47Å; E184-L274 HydrophobicContact CB-CD1 4.49Å; E184-L274 WeakPolarHBondContact O-CD2 3.43Å
185	G	97.8	Very high	95	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	164.2	175.8	0	0	0	0	0	113.8	V35 S36 P243	V35-G185 WeakPolarHBondContact CA-O 3.47Å; V35-G185 WeakPolarHBondContact CG1-O 3.42Å; S36-G185 PolarHBondContact N-O 3.21Å; G185-P243 WeakPolarHBondContact CA-O 3.25Å
186	I	98.7	Very high	95.3	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	132.2	174.5	-57.4	180	0	0	0	109.2	S36 E38 L183 W226 L227 L239 I242 P243 V244 L245	S36-I186 CarbonylContact O-C 3.57Å; S36-I186 WeakPolarHBondContact O-CA 3.46Å; E38-I186 HydrophobicContact CB-CG2 3.93Å; E38-I186 HydrophobicContact CG-CG2 3.51Å; L183-I186 HydrophobicContact CD1-CG1 4.43Å; I186-W226 HydrophobicContact CD1-CH2 4.14Å; I186-W226 HydrophobicContact CD1-CZ2 3.78Å; I186-L227 HydrophobicContact CD1-CD2 3.76Å; I186-L227 HydrophobicContact CG2-CD2 4.02Å; I186-L239 HydrophobicContact CD1-CD1 4.39Å; I186-I242 HydrophobicContact CD1-CD1 4.21Å; I186-I242 HydrophobicContact CD1-CG2 3.68Å; I186-I242 HydrophobicContact CG1-CD1 3.88Å; I186-I242 HydrophobicContact CG1-CG1 4.37Å; I186-I242 HydrophobicContact CG1-CG2 4.15Å; I186-P243 PolarHBondContact N-O 3.03Å; I186-V244 HydrophobicContact CB-CG1 4.4Å; I186-V244 HydrophobicContact CB-CG2 4.21Å; I186-V244 HydrophobicContact CG2-CG1 4.42Å; I186-V244 CarbonylContact O-C 3.58Å; I186-V244 VanDerWaalsContact O-CA 3.29Å; I186-V244 WeakPolarHBondContact O-CA 3.29Å; I186-L245 PolarHBondContact O-N 2.85Å
187	I	98.8	Very high	95.5	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	110.1	167.7	-58.8	168.7	0	0	0	107.4	V35 S36 I37 E38 F48 L52 L189 L245 L247 V267 F270 F271	V35-I187 HydrophobicContact CG1-CD1 3.95Å; V35-I187 HydrophobicContact CG1-CG1 3.85Å; S36-I187 PolarHBondContact O-N 3.05Å; I37-I187 CarbonylContact C-O 3.52Å; I37-I187 WeakPolarHBondContact CA-O 3.23Å; E38-I187 PolarHBondContact N-O 3.47Å; F48-I187 HydrophobicContact CE1-CG2 4.05Å; L52-I187 HydrophobicContact CD1-CD1 4.45Å; I187-L189 HydrophobicContact CG2-CD2 4.33Å; I187-L245 CarbonylContact C-O 3.51Å; I187-L245 WeakPolarHBondContact CA-O 3.49Å; I187-L245 HydrophobicContact CG1-CB 4.48Å; I187-L245 HydrophobicContact CG1-CD2 4.37Å; I187-L247 HydrophobicContact CG2-CD1 3.71Å; I187-L247 HydrophobicContact CG2-CG 4.21Å; I187-V267 HydrophobicContact CD1-CG1 4.24Å; I187-V267 HydrophobicContact CD1-CG2 4.02Å; I187-F270 HydrophobicContact CG1-CD1 4.33Å; I187-F270 HydrophobicContact CG1-CE1 4.25Å; I187-F271 HydrophobicContact CD1-CE1 4.01Å; I187-F271 HydrophobicContact CD1-CZ 4.13Å
188	Y	98.8	Very high	95.6	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.008	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	109.7	178.2	-180	-144.9	0	0	0	111	R190 H223 E224 L227 I228 L245 Q246 L247	Y188-R190 HydrophobicContact CD1-CB 4.08Å; Y188-R190 HydrophobicContact CD1-CG 4.45Å; Y188-R190 HydrophobicContact CE1-CB 3.7Å; Y188-R190 HydrophobicContact CE1-CG 3.64Å; Y188-R190 HydrophobicContact CE2-CB 4.45Å; Y188-R190 PolarHBondContact O-N 3.27Å; Y188-H223 HydrophobicContact CE2-CB 3.92Å; Y188-E224 WeakPolarHBondContact CE1-OE1 3.44Å; Y188-E224 PolarHBondContact OH-OE1 2.93Å; Y188-L227 HydrophobicContact CD1-CB 4.22Å; Y188-L227 HydrophobicContact CD1-CD1 4.2Å; Y188-L227 HydrophobicContact CD2-CD1 3.57Å; Y188-L227 HydrophobicContact CE2-CD1 4.1Å; Y188-L227 HydrophobicContact CG-CB 4.41Å; Y188-L227 HydrophobicContact CG-CD1 3.64Å; Y188-I228 HydrophobicContact CD1-CD1 3.93Å; Y188-I228 HydrophobicContact CD1-CG1 4.28Å; Y188-I228 HydrophobicContact CE1-CD1 4.15Å; Y188-I228 HydrophobicContact CE1-CG1 4.03Å; Y188-L245 PolarHBondContact N-O 3.36Å; Y188-Q246 HydrophobicContact CD1-CG 4.4Å; Y188-L247 PolarHBondContact O-N 2.8Å
189	L	98.6	Very high	96.1	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	105.5	169.3	-60.8	-172.6	0	0	0	109.1	I37 E38 V43 K45 F48 I187 L247 A249	I37-L189 HydrophobicContact CG2-CD1 3.79Å; I37-L189 HydrophobicContact CG2-CG 3.85Å; E38-L189 PolarHBondContact O-N 3.12Å; V43-L189 HydrophobicContact CG1-CB 4.07Å; V43-L189 HydrophobicContact CG2-CB 4.2Å; V43-L189 WeakPolarHBondContact CG2-O 3.47Å; K45-L189 HydrophobicContact CG-CD1 4.31Å; F48-L189 HydrophobicContact CB-CD1 3.73Å; F48-L189 HydrophobicContact CD1-CD1 4.17Å; F48-L189 HydrophobicContact CD1-CD2 4.01Å; F48-L189 HydrophobicContact CE1-CD2 4.3Å; F48-L189 HydrophobicContact CG-CD1 4.08Å; F48-L189 HydrophobicContact CG-CD2 4.21Å; I187-L189 HydrophobicContact CG2-CD2 4.33Å; L189-L247 HydrophobicContact CD2-CB 3.9Å; L189-L247 HydrophobicContact CD2-CD1 3.99Å; L189-L247 HydrophobicContact CD2-CG 4.49Å; L189-A249 HydrophobicContact CB-CB 4.05Å
190	R	98.4	Very high	96.5	Very high	85 Å²	85	37.1 Å²	37.1	32%	0.321	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	123	-174.9	-168.4	178.6	-175.4	-139.9	-1.9	110.7	Y188 E224 Q246 L247 A249	Y188-R190 HydrophobicContact CD1-CB 4.08Å; Y188-R190 HydrophobicContact CD1-CG 4.45Å; Y188-R190 HydrophobicContact CE1-CB 3.7Å; Y188-R190 HydrophobicContact CE1-CG 3.64Å; Y188-R190 HydrophobicContact CE2-CB 4.45Å; Y188-R190 PolarHBondContact O-N 3.27Å; R190-E224 WeakPolarHBondContact CD-OE1 3.3Å; R190-E224 IonicContact CZ-OE1 3.63Å; R190-E224 IonicContact CZ-OE2 3.23Å; R190-E224 VanDerWaalsContact CZ-OE2 3.23Å; R190-E224 IonicContact NE-OE1 2.76Å; R190-E224 PolarHBondContact NE-OE1 3.25Å; R190-E224 IonicContact NE-OE2 3.2Å; R190-E224 PolarHBondContact NE-OE2 2.95Å; R190-E224 IonicContact NH2-OE1 3.73Å; R190-E224 IonicContact NH2-OE2 2.65Å; R190-E224 PolarHBondContact NH2-OE2 3.35Å; R190-Q246 HydrophobicContact CB-CG 4.26Å; R190-L247 PolarHBondContact N-O 3.3Å; R190-A249 PolarHBondContact O-N 3.02Å
191	A	97.8	Very high	96.8	Very high	7 Å²	7	39 Å²	39	6%	0.058	18%	0.181	C	C	.	.			trans	-146.5	161.9	169.2	0	0	0	0	0	109.6	V43 A249	V43-A191 HydrophobicContact CG2-CB 3.78Å; A191-A249 HydrophobicContact CB-CB 4.16Å
192	S	98.2	Very high	97.1	Very high	49 Å²	49	44.1 Å²	44.1	34%	0.343	22%	0.216	S	C	.	.			trans	-66.9	151.7	179.6	74	0	0	0	0	112	K194 M195 C196	S192-K194 PolarHBondContact O-N 3.45Å; S192-M195 PolarHBondContact O-N 3.47Å; S192-M195 WeakPolarHBondContact OG-CG 3.29Å; S192-M195 PolarHBondContact OG-N 2.97Å; S192-C196 PolarHBondContact O-N 3.2Å; S192-C196 PolarHBondContact O-SG 3.25Å
193	P	98.4	Very high	97.2	Very high	16 Å²	16	47 Å²	47	10%	0.104	23%	0.225	C	C	.	.	H	α-helix	trans	-54.8	-36.8	173.7	-29.5	37.6	0	0	0	113.4	C196 M197 L213 L216 E217 H220	P193-C196 WeakPolarHBondContact O-CB 3.45Å; P193-C196 PolarHBondContact O-N 2.89Å; P193-M197 WeakPolarHBondContact O-CB 3.48Å; P193-M197 PolarHBondContact O-N 3.43Å; P193-L213 HydrophobicContact CB-CD1 3.85Å; P193-L216 HydrophobicContact CB-CB 4.14Å; P193-E217 HydrophobicContact CB-CB 4.49Å; P193-E217 HydrophobicContact CB-CG 3.64Å; P193-E217 HydrophobicContact CG-CB 4.37Å; P193-E217 HydrophobicContact CG-CG 3.81Å; P193-H220 HydrophobicContact CG-CB 3.7Å
194	K	98.1	Very high	97	Very high	137 Å²	137	49.2 Å²	49.2	60%	0.596	25%	0.25	S	S	*	.	H	α-helix	trans	-61.7	-46.7	177.2	-66.9	-178.4	179.8	178.9	0	112	S192 C196 M197 E198 L213	S192-K194 PolarHBondContact O-N 3.45Å; K194-C196 VanDerWaalsContact C-N 3.33Å; K194-C196 PolarHBondContact O-N 3.25Å; K194-M197 WeakPolarHBondContact O-CB 3.2Å; K194-M197 PolarHBondContact O-N 3.01Å; K194-E198 WeakPolarHBondContact O-CG 2.86Å; K194-E198 PolarHBondContact O-N 2.95Å; K194-L213 HydrophobicContact CG-CD1 4.26Å; K194-L213 HydrophobicContact CG-CD2 4.23Å
195	M	97.3	Very high	96.9	Very high	48 Å²	48	49.4 Å²	49.4	24%	0.236	25%	0.249	C	C	.	.	H	α-helix	trans	-66.1	-37.7	176	-67.6	-178.7	75.4	0	0	112	S192 M197 E198 R199 S250	S192-M195 PolarHBondContact O-N 3.47Å; S192-M195 WeakPolarHBondContact OG-CG 3.29Å; S192-M195 PolarHBondContact OG-N 2.97Å; M195-M197 VanDerWaalsContact C-N 3.3Å; M195-M197 PolarHBondContact O-N 3.37Å; M195-E198 PolarHBondContact O-N 2.95Å; M195-R199 VanDerWaalsContact O-CG 3.32Å; M195-R199 WeakPolarHBondContact O-CG 3.47Å; M195-R199 PolarHBondContact O-N 3.24Å; M195-S250 VanDerWaalsContact CE-O 3.25Å; M195-S250 WeakPolarHBondContact CE-O 3.46Å; M195-S250 VanDerWaalsContact SD-CB 3.59Å
196	C	97.8	Very high	96.6	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-61.9	-40.7	173.8	-64.9	0	0	0	0	111	V41 S192 P193 K194 R199 L200 L216	V41-C196 WeakPolarHBondContact O-CB 3.41Å; S192-C196 PolarHBondContact O-N 3.2Å; S192-C196 PolarHBondContact O-SG 3.25Å; P193-C196 WeakPolarHBondContact O-CB 3.45Å; P193-C196 PolarHBondContact O-N 2.89Å; K194-C196 VanDerWaalsContact C-N 3.33Å; K194-C196 PolarHBondContact O-N 3.25Å; C196-R199 PolarHBondContact O-N 2.96Å; C196-L200 VanDerWaalsContact O-CB 3.24Å; C196-L200 WeakPolarHBondContact O-CB 3.49Å; C196-L200 PolarHBondContact O-N 3.35Å; C196-L216 HydrophobicContact CB-CD1 4.11Å
197	M	97.7	Very high	96.4	Very high	18 Å²	18	55 Å²	55	9%	0.089	28%	0.284	C	S	.	.	H	α-helix	trans	-62.4	-45.5	175.5	-178.6	56.3	74.5	0	0	112.2	P193 K194 M195 R199 L200 K201 V211 L213 L216	P193-M197 WeakPolarHBondContact O-CB 3.48Å; P193-M197 PolarHBondContact O-N 3.43Å; K194-M197 WeakPolarHBondContact O-CB 3.2Å; K194-M197 PolarHBondContact O-N 3.01Å; M195-M197 VanDerWaalsContact C-N 3.3Å; M195-M197 PolarHBondContact O-N 3.37Å; M197-R199 VanDerWaalsContact C-N 3.33Å; M197-R199 PolarHBondContact O-N 3.29Å; M197-L200 PolarHBondContact O-N 3.1Å; M197-K201 HydrophobicContact CG-CD 4.44Å; M197-K201 WeakPolarHBondContact O-CG 3.27Å; M197-K201 PolarHBondContact O-N 2.71Å; M197-K201 HydrophobicContact SD-CD 4.44Å; M197-K201 HydrophobicContact SD-CG 4.3Å; M197-V211 WeakPolarHBondContact CE-O 3.24Å; M197-L213 HydrophobicContact CB-CD1 4.22Å; M197-L213 HydrophobicContact CE-CB 4.15Å; M197-L216 HydrophobicContact CB-CD1 3.91Å; M197-L216 HydrophobicContact CE-CD1 3.78Å; M197-L216 HydrophobicContact CE-CG 4.31Å; M197-L216 HydrophobicContact SD-CD1 4.43Å
198	E	96.4	Very high	96.1	Very high	128 Å²	128	55.2 Å²	55.2	60%	0.598	29%	0.285	S	S	*	.	H	α-helix	trans	-59	-44.7	175.8	-71	166.9	-173	0	0	111.6	K194 M195 K201 S202	K194-E198 WeakPolarHBondContact O-CG 2.86Å; K194-E198 PolarHBondContact O-N 2.95Å; M195-E198 PolarHBondContact O-N 2.95Å; E198-K201 PolarHBondContact O-N 2.91Å; E198-S202 WeakPolarHBondContact O-CB 3.39Å; E198-S202 PolarHBondContact O-N 2.77Å
199	R	96.4	Very high	95.7	Very high	63 Å²	63	63.4 Å²	63.4	24%	0.238	32%	0.323	C	S	.	.	H	α-helix	trans	-67.3	-37.6	177.1	-70	173.4	-177.1	172	5.2	112.6	A42 V43 M195 C196 M197 S202 R203 A249	A42-R199 HydrophobicContact CB-CB 4.03Å; A42-R199 WeakPolarHBondContact O-CB 3.31Å; A42-R199 WeakPolarHBondContact O-CD 3.41Å; V43-R199 PolarHBondContact O-NH1 3.45Å; M195-R199 VanDerWaalsContact O-CG 3.32Å; M195-R199 WeakPolarHBondContact O-CG 3.47Å; M195-R199 PolarHBondContact O-N 3.24Å; C196-R199 PolarHBondContact O-N 2.96Å; M197-R199 VanDerWaalsContact C-N 3.33Å; M197-R199 PolarHBondContact O-N 3.29Å; R199-S202 PolarHBondContact O-N 2.82Å; R199-R203 WeakPolarHBondContact O-CB 3.23Å; R199-R203 PolarHBondContact O-N 3.28Å; R199-A249 VanDerWaalsContact CZ-O 3.25Å; R199-A249 PolarHBondContact NH1-O 2.99Å; R199-A249 PolarHBondContact NH2-O 2.98Å
200	L	96.1	Very high	95.4	Very high	7 Å²	7	66.6 Å²	66.6	4%	0.037	36%	0.356	C	S	.	.	H	α-helix	trans	-61.3	-50.4	176.5	-175.3	156.8	0	0	0	109.9	V41 A42 C196 M197 S202 R203 G204 E208 V211 L216	V41-L200 HydrophobicContact CG1-CD1 3.88Å; A42-L200 HydrophobicContact CB-CB 3.68Å; A42-L200 HydrophobicContact CB-CG 4.48Å; C196-L200 VanDerWaalsContact O-CB 3.24Å; C196-L200 WeakPolarHBondContact O-CB 3.49Å; C196-L200 PolarHBondContact O-N 3.35Å; M197-L200 PolarHBondContact O-N 3.1Å; L200-S202 PolarHBondContact O-N 3.16Å; L200-R203 PolarHBondContact O-N 3.04Å; L200-G204 PolarHBondContact O-N 2.94Å; L200-E208 HydrophobicContact CD1-CB 4.4Å; L200-E208 HydrophobicContact CD2-CB 3.98Å; L200-E208 HydrophobicContact CG-CB 4.22Å; L200-V211 HydrophobicContact CD1-CB 4.07Å; L200-V211 HydrophobicContact CD1-CG1 3.91Å; L200-V211 HydrophobicContact CD1-CG2 4.44Å; L200-L216 HydrophobicContact CD1-CD1 4.38Å; L200-L216 HydrophobicContact CD1-CD2 4.43Å
201	K	95.6	Very high	95.2	Very high	153 Å²	153	63.2 Å²	63.2	67%	0.665	35%	0.345	S	S	*	.	H	α-helix	trans	-59.7	-45.1	174.9	-70.4	178.4	178.2	-176.1	0	112.1	M197 E198 R203 G204	M197-K201 HydrophobicContact CG-CD 4.44Å; M197-K201 WeakPolarHBondContact O-CG 3.27Å; M197-K201 PolarHBondContact O-N 2.71Å; M197-K201 HydrophobicContact SD-CD 4.44Å; M197-K201 HydrophobicContact SD-CG 4.3Å; E198-K201 PolarHBondContact O-N 2.91Å; K201-R203 VanDerWaalsContact C-N 3.28Å; K201-R203 PolarHBondContact O-N 3.36Å; K201-G204 PolarHBondContact O-N 2.83Å; K201-G204 VanDerWaalsContact O-N 3.14Å
202	S	94.3	Very high	95.2	Very high	107 Å²	107	70.2 Å²	70.2	75%	0.748	37%	0.374	S	S	*	.	H	α-helix	trans	-63.7	-30.4	178.6	-179.9	0	0	0	0	113.5	E198 R199 L200 G204	E198-S202 WeakPolarHBondContact O-CB 3.39Å; E198-S202 PolarHBondContact O-N 2.77Å; R199-S202 PolarHBondContact O-N 2.82Å; L200-S202 PolarHBondContact O-N 3.16Å; S202-G204 VanDerWaalsContact C-N 3.35Å
203	R	94.1	Very high	95.2	Very high	109 Å²	109	70.3 Å²	70.3	41%	0.411	37%	0.371	S	S	.	.	H	α-helix	trans	-74.8	-26.7	176.3	-178.5	173.5	65.5	169.1	-4.7	112.2	R199 L200 K201 R205 E208	R199-R203 WeakPolarHBondContact O-CB 3.23Å; R199-R203 PolarHBondContact O-N 3.28Å; L200-R203 PolarHBondContact O-N 3.04Å; K201-R203 VanDerWaalsContact C-N 3.28Å; K201-R203 PolarHBondContact O-N 3.36Å; R203-R205 PolarHBondContact O-N 3.43Å; R203-E208 IonicContact CZ-OE1 3.77Å; R203-E208 IonicContact CZ-OE2 3.46Å; R203-E208 IonicContact NE-OE2 3.63Å; R203-E208 IonicContact NH2-OE1 2.6Å; R203-E208 PolarHBondContact NH2-OE1 3.14Å; R203-E208 IonicContact NH2-OE2 3.58Å; R203-E208 PolarHBondContact NH2-OE2 3.37Å
204	G	91.7	Very high	95.2	Very high	56 Å²	56	74.7 Å²	74.7	58%	0.577	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.3	36.6	170.6	0	0	0	0	0	114.5	L200 K201 S202 P206	L200-G204 PolarHBondContact O-N 2.94Å; K201-G204 PolarHBondContact O-N 2.83Å; K201-G204 VanDerWaalsContact O-N 3.14Å; S202-G204 VanDerWaalsContact C-N 3.35Å; G204-P206 WeakPolarHBondContact O-CD 2.96Å
205	R	93	Very high	95.2	Very high	51 Å²	51	69.8 Å²	69.8	19%	0.192	37%	0.371	C	S	.	.			trans	-74	122.3	174.6	178.2	177.6	-64.9	164.3	-13.7	109	R203 E207 E208	R203-R205 PolarHBondContact O-N 3.43Å; R205-E207 VanDerWaalsContact C-N 3.31Å; R205-E207 WeakPolarHBondContact CD-OE2 2.96Å; R205-E207 WeakPolarHBondContact CG-OE2 3.47Å; R205-E207 PolarHBondContact O-N 3.47Å; R205-E208 HydrophobicContact CB-CB 4.38Å; R205-E208 HydrophobicContact CB-CG 4.33Å; R205-E208 HydrophobicContact CG-CG 4.26Å; R205-E208 IonicContact CZ-OE1 3.7Å; R205-E208 IonicContact NE-OE1 3.92Å; R205-E208 IonicContact NH1-OE1 2.82Å; R205-E208 PolarHBondContact NH1-OE1 3.28Å; R205-E208 PolarHBondContact O-N 3.47Å
206	P	93.3	Very high	95.2	Very high	99 Å²	99	67.5 Å²	67.5	64%	0.643	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-55.8	-42.1	-174.7	-27	35	0	0	0	113.9	G204 E208 E209	G204-P206 WeakPolarHBondContact O-CD 2.96Å; P206-E208 PolarHBondContact O-N 2.75Å; P206-E208 VanDerWaalsContact O-N 3.12Å; P206-E209 WeakPolarHBondContact O-CB 3.37Å; P206-E209 PolarHBondContact O-N 2.92Å
207	E	93.1	Very high	95.3	Very high	20 Å²	20	71.4 Å²	71.4	9%	0.093	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-63.9	-21.7	-178.1	-56.3	92.2	148.7	0	0	113.1	Q70 N90 L92 E93 Y96 R205	Q70-E207 WeakPolarHBondContact CG-OE1 3.38Å; Q70-E207 PolarHBondContact NE2-OE1 2.86Å; N90-E207 PolarHBondContact ND2-OE1 3.26Å; L92-E207 HydrophobicContact CD2-CB 4.3Å; L92-E207 HydrophobicContact CD2-CG 4.5Å; L92-E207 HydrophobicContact CG-CB 4.24Å; E93-E207 HydrophobicContact CB-CB 4.31Å; E93-E207 HydrophobicContact CB-CG 3.66Å; E93-E207 HydrophobicContact CG-CG 4.25Å; Y96-E207 WeakPolarHBondContact CB-O 3.48Å; Y96-E207 HydrophobicContact CD2-CB 4.3Å; Y96-E207 WeakPolarHBondContact CD2-O 3.36Å; R205-E207 VanDerWaalsContact C-N 3.31Å; R205-E207 WeakPolarHBondContact CD-OE2 2.96Å; R205-E207 WeakPolarHBondContact CG-OE2 3.47Å; R205-E207 PolarHBondContact O-N 3.47Å
208	E	93.2	Very high	95.3	Very high	4 Å²	4	71.4 Å²	71.4	2%	0.019	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-99.1	-1.4	-175.9	-65.2	172.6	177.1	0	0	112.9	Y96 L200 R203 R205 P206 G210 V211	Y96-E208 HydrophobicContact CE2-CG 3.81Å; L200-E208 HydrophobicContact CD1-CB 4.4Å; L200-E208 HydrophobicContact CD2-CB 3.98Å; L200-E208 HydrophobicContact CG-CB 4.22Å; R203-E208 IonicContact CZ-OE1 3.77Å; R203-E208 IonicContact CZ-OE2 3.46Å; R203-E208 IonicContact NE-OE2 3.63Å; R203-E208 IonicContact NH2-OE1 2.6Å; R203-E208 PolarHBondContact NH2-OE1 3.14Å; R203-E208 IonicContact NH2-OE2 3.58Å; R203-E208 PolarHBondContact NH2-OE2 3.37Å; R205-E208 HydrophobicContact CB-CB 4.38Å; R205-E208 HydrophobicContact CB-CG 4.33Å; R205-E208 HydrophobicContact CG-CG 4.26Å; R205-E208 IonicContact CZ-OE1 3.7Å; R205-E208 IonicContact NE-OE1 3.92Å; R205-E208 IonicContact NH1-OE1 2.82Å; R205-E208 PolarHBondContact NH1-OE1 3.28Å; R205-E208 PolarHBondContact O-N 3.47Å; P206-E208 PolarHBondContact O-N 2.75Å; P206-E208 VanDerWaalsContact O-N 3.12Å; E208-G210 PolarHBondContact O-N 2.96Å; E208-V211 HydrophobicContact CB-CG2 4.16Å; E208-V211 VanDerWaalsContact O-CB 3.29Å; E208-V211 WeakPolarHBondContact O-CB 3.45Å; E208-V211 VanDerWaalsContact O-CG2 3.3Å; E208-V211 WeakPolarHBondContact O-CG2 3.31Å; E208-V211 PolarHBondContact O-N 3.36Å
209	E	90.9	Very high	95.4	Very high	174 Å²	174	65.3 Å²	65.3	81%	0.813	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-35	-176.7	-173.4	173.6	-170.5	0	0	112.7	P206 V211	P206-E209 WeakPolarHBondContact O-CB 3.37Å; P206-E209 PolarHBondContact O-N 2.92Å; E209-V211 VanDerWaalsContact C-N 3.29Å; E209-V211 PolarHBondContact O-N 3.35Å
210	G	91.8	Very high	95.5	Very high	68 Å²	68	64.1 Å²	64.1	70%	0.701	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-3.5	177.9	0	0	0	0	0	115.3	E208 K212	E208-G210 PolarHBondContact O-N 2.96Å; G210-K212 PolarHBondContact O-N 3.27Å
211	V	95.3	Very high	95.6	Very high	14 Å²	14	69 Å²	69	9%	0.085	37%	0.365	C	S	.	.			trans	-68.3	126.7	-176.7	176	0	0	0	0	110.6	Y96 M197 L200 E208 E209 Y215 L216	Y96-V211 HydrophobicContact CD1-CG2 3.83Å; Y96-V211 HydrophobicContact CE1-CG2 3.45Å; Y96-V211 VanDerWaalsContact CE1-CG2 3.45Å; M197-V211 WeakPolarHBondContact CE-O 3.24Å; L200-V211 HydrophobicContact CD1-CB 4.07Å; L200-V211 HydrophobicContact CD1-CG1 3.91Å; L200-V211 HydrophobicContact CD1-CG2 4.44Å; E208-V211 HydrophobicContact CB-CG2 4.16Å; E208-V211 VanDerWaalsContact O-CB 3.29Å; E208-V211 WeakPolarHBondContact O-CB 3.45Å; E208-V211 VanDerWaalsContact O-CG2 3.3Å; E208-V211 WeakPolarHBondContact O-CG2 3.31Å; E208-V211 PolarHBondContact O-N 3.36Å; E209-V211 VanDerWaalsContact C-N 3.29Å; E209-V211 PolarHBondContact O-N 3.35Å; V211-Y215 HydrophobicContact CG1-CD1 3.92Å; V211-L216 HydrophobicContact CG1-CD2 4.03Å; V211-L216 HydrophobicContact CG1-CG 4.16Å
212	K	96.7	Very high	95.8	Very high	154 Å²	154	61.7 Å²	61.7	67%	0.67	33%	0.334	S	S	*	.			trans	-93.9	157.6	179.2	-63	-177.2	-178.4	177.5	0	112.1	G210 D214 Y215 L216	G210-K212 PolarHBondContact O-N 3.27Å; K212-D214 VanDerWaalsContact C-N 3.32Å; K212-D214 PolarHBondContact O-N 2.91Å; K212-Y215 PolarHBondContact O-N 3.41Å; K212-L216 PolarHBondContact O-N 3.07Å
213	L	98	Very high	96	Very high	51 Å²	51	56.6 Å²	56.6	27%	0.267	30%	0.298	S	S	.	.	H	α-helix	trans	-60.8	-43.8	179.4	179.4	61.5	0	0	0	111.1	P193 K194 M197 Y215 L216 E217	P193-L213 HydrophobicContact CB-CD1 3.85Å; K194-L213 HydrophobicContact CG-CD1 4.26Å; K194-L213 HydrophobicContact CG-CD2 4.23Å; M197-L213 HydrophobicContact CB-CD1 4.22Å; M197-L213 HydrophobicContact CE-CB 4.15Å; L213-Y215 PolarHBondContact O-N 3.01Å; L213-L216 CarbonylContact O-C 3.57Å; L213-L216 WeakPolarHBondContact O-CA 3.23Å; L213-L216 WeakPolarHBondContact O-CB 3.4Å; L213-L216 PolarHBondContact O-N 2.91Å; L213-E217 HydrophobicContact CD1-CG 4.44Å; L213-E217 HydrophobicContact CG-CG 4.25Å; L213-E217 PolarHBondContact O-N 3.22Å
214	D	97.9	Very high	96.2	Very high	107 Å²	107	52.3 Å²	52.3	57%	0.572	28%	0.283	S	S	*	.	H	α-helix	trans	-53.8	-39.2	180	-54.1	1.9	0	0	0	112	K212 E217 T218	K212-D214 VanDerWaalsContact C-N 3.32Å; K212-D214 PolarHBondContact O-N 2.91Å; D214-E217 WeakPolarHBondContact O-CB 3.35Å; D214-E217 PolarHBondContact O-N 3.4Å; D214-T218 VanDerWaalsContact O-CG2 3.25Å; D214-T218 WeakPolarHBondContact O-CG2 3.42Å; D214-T218 PolarHBondContact O-N 3.17Å
215	Y	98.1	Very high	96.5	Very high	34 Å²	34	52.4 Å²	52.4	13%	0.133	27%	0.267	C	S	.	.	H	α-helix	trans	-64.9	-41.2	175.6	178.6	-105.7	0	0	0	112.2	Y96 N151 M152 L155 V211 K212 L213 E217 T218 L219	Y96-Y215 HydrophobicContact CE1-CE1 4.32Å; N151-Y215 WeakPolarHBondContact ND2-CE2 3.43Å; M152-Y215 HydrophobicContact SD-CE2 3.84Å; L155-Y215 HydrophobicContact CD1-CD2 3.91Å; L155-Y215 HydrophobicContact CD1-CE2 4.13Å; V211-Y215 HydrophobicContact CG1-CD1 3.92Å; K212-Y215 PolarHBondContact O-N 3.41Å; L213-Y215 PolarHBondContact O-N 3.01Å; Y215-E217 VanDerWaalsContact C-N 3.29Å; Y215-E217 PolarHBondContact O-N 2.85Å; Y215-T218 PolarHBondContact O-N 2.81Å; Y215-T218 PolarHBondContact O-OG1 2.92Å; Y215-L219 HydrophobicContact CD1-CD1 4.01Å; Y215-L219 HydrophobicContact CE1-CD1 3.43Å; Y215-L219 VanDerWaalsContact CE1-CD1 3.43Å; Y215-L219 HydrophobicContact CE1-CG 4.12Å; Y215-L219 HydrophobicContact CE2-CG 4.47Å; Y215-L219 WeakPolarHBondContact O-CG 3.31Å; Y215-L219 PolarHBondContact O-N 3.21Å
216	L	98.4	Very high	96.7	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-67.9	-31.5	174.6	-60.3	-174.2	0	0	0	111.9	N40 V41 P193 C196 M197 L200 V211 K212 L213 L219 H220	N40-L216 PolarHBondContact ND2-O 3.27Å; V41-L216 HydrophobicContact CB-CD2 3.91Å; V41-L216 HydrophobicContact CG2-CD2 4.32Å; P193-L216 HydrophobicContact CB-CB 4.14Å; C196-L216 HydrophobicContact CB-CD1 4.11Å; M197-L216 HydrophobicContact CB-CD1 3.91Å; M197-L216 HydrophobicContact CE-CD1 3.78Å; M197-L216 HydrophobicContact CE-CG 4.31Å; M197-L216 HydrophobicContact SD-CD1 4.43Å; L200-L216 HydrophobicContact CD1-CD1 4.38Å; L200-L216 HydrophobicContact CD1-CD2 4.43Å; V211-L216 HydrophobicContact CG1-CD2 4.03Å; V211-L216 HydrophobicContact CG1-CG 4.16Å; K212-L216 PolarHBondContact O-N 3.07Å; L213-L216 CarbonylContact O-C 3.57Å; L213-L216 WeakPolarHBondContact O-CA 3.23Å; L213-L216 WeakPolarHBondContact O-CB 3.4Å; L213-L216 PolarHBondContact O-N 2.91Å; L216-L219 HydrophobicContact CD2-CD1 4.48Å; L216-H220 VanDerWaalsContact O-CB 3.31Å; L216-H220 WeakPolarHBondContact O-CB 3.43Å; L216-H220 PolarHBondContact O-N 3.42Å
217	E	98.6	Very high	97	Very high	82 Å²	82	45.8 Å²	45.8	38%	0.383	23%	0.23	S	C	.	.	H	α-helix	trans	-67.5	-41.7	174.1	-68.4	179.7	167.1	0	0	111.6	P193 L213 D214 Y215 H220 R221	P193-E217 HydrophobicContact CB-CB 4.49Å; P193-E217 HydrophobicContact CB-CG 3.64Å; P193-E217 HydrophobicContact CG-CB 4.37Å; P193-E217 HydrophobicContact CG-CG 3.81Å; L213-E217 HydrophobicContact CD1-CG 4.44Å; L213-E217 HydrophobicContact CG-CG 4.25Å; L213-E217 PolarHBondContact O-N 3.22Å; D214-E217 WeakPolarHBondContact O-CB 3.35Å; D214-E217 PolarHBondContact O-N 3.4Å; Y215-E217 VanDerWaalsContact C-N 3.29Å; Y215-E217 PolarHBondContact O-N 2.85Å; E217-H220 PolarHBondContact O-N 3.41Å; E217-R221 PolarHBondContact O-N 2.91Å
218	T	98.4	Very high	97.2	Very high	18 Å²	18	47.9 Å²	47.9	11%	0.11	24%	0.241	C	C	.	.	H	α-helix	trans	-65.4	-44.8	175.5	72.8	0	0	0	0	111.3	N151 L155 D214 Y215 H220 R221 Q222	N151-T218 PolarHBondContact ND2-OG1 2.99Å; N151-T218 WeakPolarHBondContact OD1-CB 3.46Å; N151-T218 PolarHBondContact OD1-OG1 2.61Å; L155-T218 HydrophobicContact CD2-CG2 4.39Å; D214-T218 VanDerWaalsContact O-CG2 3.25Å; D214-T218 WeakPolarHBondContact O-CG2 3.42Å; D214-T218 PolarHBondContact O-N 3.17Å; Y215-T218 PolarHBondContact O-N 2.81Å; Y215-T218 PolarHBondContact O-OG1 2.92Å; T218-H220 VanDerWaalsContact C-N 3.31Å; T218-H220 PolarHBondContact O-N 2.74Å; T218-R221 WeakPolarHBondContact O-CB 3.39Å; T218-R221 PolarHBondContact O-N 2.95Å; T218-Q222 WeakPolarHBondContact O-CG 3.5Å; T218-Q222 PolarHBondContact O-N 2.83Å
219	L	98.5	Very high	97.3	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-60.1	-41.1	174.3	-71.5	-178.9	0	0	0	112.2	N40 V41 V147 F148 N151 Y215 L216 Q222 H223	N40-L219 WeakPolarHBondContact OD1-CB 3.33Å; V41-L219 HydrophobicContact CG2-CD1 3.83Å; V147-L219 HydrophobicContact CG1-CD2 4.1Å; F148-L219 HydrophobicContact CD1-CD1 4.5Å; F148-L219 HydrophobicContact CD1-CD2 3.86Å; F148-L219 HydrophobicContact CE1-CD1 3.87Å; F148-L219 HydrophobicContact CE1-CD2 3.85Å; N151-L219 HydrophobicContact CB-CD2 4.09Å; Y215-L219 HydrophobicContact CD1-CD1 4.01Å; Y215-L219 HydrophobicContact CE1-CD1 3.43Å; Y215-L219 VanDerWaalsContact CE1-CD1 3.43Å; Y215-L219 HydrophobicContact CE1-CG 4.12Å; Y215-L219 HydrophobicContact CE2-CG 4.47Å; Y215-L219 WeakPolarHBondContact O-CG 3.31Å; Y215-L219 PolarHBondContact O-N 3.21Å; L216-L219 HydrophobicContact CD2-CD1 4.48Å; L219-Q222 PolarHBondContact O-N 3.38Å; L219-H223 PolarHBondContact O-N 3.08Å; L219-H223 VanDerWaalsContact O-N 3.11Å; L219-H223 PolarHBondContact O-ND1 2.98Å
220	H	98.7	Very high	97.6	Very high	39 Å²	39	49.6 Å²	49.6	18%	0.181	25%	0.247	C	C	.	.	H	α-helix	trans	-59.8	-48	176.5	-179.9	66.7	0	0	0	110.8	P193 L216 E217 T218 Q222 H223 E224	P193-H220 HydrophobicContact CG-CB 3.7Å; L216-H220 VanDerWaalsContact O-CB 3.31Å; L216-H220 WeakPolarHBondContact O-CB 3.43Å; L216-H220 PolarHBondContact O-N 3.42Å; E217-H220 PolarHBondContact O-N 3.41Å; T218-H220 VanDerWaalsContact C-N 3.31Å; T218-H220 PolarHBondContact O-N 2.74Å; H220-Q222 VanDerWaalsContact C-N 3.3Å; H220-Q222 PolarHBondContact O-N 2.92Å; H220-H223 WeakPolarHBondContact O-CB 3.09Å; H220-H223 PolarHBondContact O-N 3.34Å; H220-H223 VanDerWaalsContact O-N 3.08Å; H220-E224 IonicContact CE1-OE1 3.52Å; H220-E224 WeakPolarHBondContact O-CG 3.34Å; H220-E224 PolarHBondContact O-N 3.33Å
221	R	98.6	Very high	97.8	Very high	108 Å²	108	49.8 Å²	49.8	41%	0.408	24%	0.238	S	C	.	.	H	α-helix	trans	-56.9	-41	176.1	-177	178	60.9	-115.7	2.1	112.5	E217 T218 H223 E224 K225	E217-R221 PolarHBondContact O-N 2.91Å; T218-R221 WeakPolarHBondContact O-CB 3.39Å; T218-R221 PolarHBondContact O-N 2.95Å; R221-H223 PolarHBondContact O-N 3.05Å; R221-E224 PolarHBondContact O-N 2.88Å; R221-K225 HydrophobicContact CG-CD 4.33Å; R221-K225 HydrophobicContact CG-CG 4.45Å; R221-K225 WeakPolarHBondContact O-CB 3.49Å; R221-K225 WeakPolarHBondContact O-CG 3.45Å; R221-K225 PolarHBondContact O-N 3.33Å
222	Q	98.6	Very high	97.8	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-65.6	-37.6	176.9	-60.1	-52.9	84.4	0	0	112.4	V147 N151 E154 T218 L219 H220 W226	V147-Q222 HydrophobicContact CB-CB 4.48Å; V147-Q222 HydrophobicContact CG1-CB 4.14Å; N151-Q222 HydrophobicContact CB-CG 4.14Å; E154-Q222 PolarHBondContact OE1-NE2 3.46Å; E154-Q222 VanDerWaalsContact OE1-NE2 3.09Å; T218-Q222 WeakPolarHBondContact O-CG 3.5Å; T218-Q222 PolarHBondContact O-N 2.83Å; L219-Q222 PolarHBondContact O-N 3.38Å; H220-Q222 VanDerWaalsContact C-N 3.3Å; H220-Q222 PolarHBondContact O-N 2.92Å; Q222-W226 WeakPolarHBondContact O-CB 3.45Å; Q222-W226 PolarHBondContact O-N 3.36Å; Q222-W226 VanDerWaalsContact O-N 3.1Å
223	H	98.7	Very high	97.8	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-65.8	-41.7	173.3	-70.5	85.8	0	0	0	111.8	G39 V147 Y188 L219 H220 R221 W226 L227	G39-H223 WeakPolarHBondContact CA-NE2 3.46Å; G39-H223 PolarHBondContact N-NE2 2.81Å; G39-H223 PolarHBondContact O-NE2 3.14Å; V147-H223 WeakPolarHBondContact CG1-CE1 3.4Å; Y188-H223 HydrophobicContact CE2-CB 3.92Å; L219-H223 PolarHBondContact O-N 3.08Å; L219-H223 VanDerWaalsContact O-N 3.11Å; L219-H223 PolarHBondContact O-ND1 2.98Å; H220-H223 WeakPolarHBondContact O-CB 3.09Å; H220-H223 PolarHBondContact O-N 3.34Å; H220-H223 VanDerWaalsContact O-N 3.08Å; R221-H223 PolarHBondContact O-N 3.05Å; H223-W226 PolarHBondContact O-N 3.12Å; H223-L227 HydrophobicContact CB-CD1 4.5Å; H223-L227 VanDerWaalsContact O-CB 3.28Å; H223-L227 WeakPolarHBondContact O-CB 3.45Å; H223-L227 PolarHBondContact O-N 3.48Å
224	E	98.5	Very high	97.6	Very high	18 Å²	18	49.1 Å²	49.1	8%	0.084	24%	0.237	C	C	.	.	H	α-helix	trans	-63.6	-48.6	178.7	-65.5	-69.3	118	0	0	111.2	Y188 R190 H220 R221 W226 I228 E229	Y188-E224 WeakPolarHBondContact CE1-OE1 3.44Å; Y188-E224 PolarHBondContact OH-OE1 2.93Å; R190-E224 WeakPolarHBondContact CD-OE1 3.3Å; R190-E224 IonicContact CZ-OE1 3.63Å; R190-E224 IonicContact CZ-OE2 3.23Å; R190-E224 VanDerWaalsContact CZ-OE2 3.23Å; R190-E224 IonicContact NE-OE1 2.76Å; R190-E224 PolarHBondContact NE-OE1 3.25Å; R190-E224 IonicContact NE-OE2 3.2Å; R190-E224 PolarHBondContact NE-OE2 2.95Å; R190-E224 IonicContact NH2-OE1 3.73Å; R190-E224 IonicContact NH2-OE2 2.65Å; R190-E224 PolarHBondContact NH2-OE2 3.35Å; H220-E224 IonicContact CE1-OE1 3.52Å; H220-E224 WeakPolarHBondContact O-CG 3.34Å; H220-E224 PolarHBondContact O-N 3.33Å; R221-E224 PolarHBondContact O-N 2.88Å; E224-W226 VanDerWaalsContact C-N 3.28Å; E224-W226 PolarHBondContact O-N 3.33Å; E224-I228 WeakPolarHBondContact O-CA 3.38Å; E224-I228 WeakPolarHBondContact O-CB 3.5Å; E224-I228 PolarHBondContact O-N 2.88Å; E224-E229 PolarHBondContact O-N 2.96Å
225	K	98.3	Very high	97.4	Very high	59 Å²	59	48.5 Å²	48.5	26%	0.257	23%	0.231	S	C	.	.	H	α-helix	trans	-55.3	-43.1	175.2	-75	178.5	177.2	177.7	0	112.4	R221 K230 S231 T232	R221-K225 HydrophobicContact CG-CD 4.33Å; R221-K225 HydrophobicContact CG-CG 4.45Å; R221-K225 WeakPolarHBondContact O-CB 3.49Å; R221-K225 WeakPolarHBondContact O-CG 3.45Å; R221-K225 PolarHBondContact O-N 3.33Å; K225-K230 CarbonylContact O-C 3.53Å; K225-K230 WeakPolarHBondContact O-CA 3.32Å; K225-K230 PolarHBondContact O-N 3.29Å; K225-S231 PolarHBondContact O-N 2.95Å; K225-T232 WeakPolarHBondContact CB-OG1 3.35Å; K225-T232 PolarHBondContact O-N 3.37Å
226	W	98.2	Very high	97	Very high	6 Å²	6	48.5 Å²	48.5	2%	0.023	23%	0.231	C	C	.	.	H	α-helix	trans	-78.3	-50.2	-176.9	175	34.2	0	0	0	113.1	E38 V147 I186 Q222 H223 E224 K230 T232 L239	E38-W226 HydrophobicContact CG-CH2 4.08Å; E38-W226 HydrophobicContact CG-CZ3 4.04Å; V147-W226 HydrophobicContact CG2-CE3 3.56Å; V147-W226 HydrophobicContact CG2-CZ3 3.96Å; I186-W226 HydrophobicContact CD1-CH2 4.14Å; I186-W226 HydrophobicContact CD1-CZ2 3.78Å; Q222-W226 WeakPolarHBondContact O-CB 3.45Å; Q222-W226 PolarHBondContact O-N 3.36Å; Q222-W226 VanDerWaalsContact O-N 3.1Å; H223-W226 PolarHBondContact O-N 3.12Å; E224-W226 VanDerWaalsContact C-N 3.28Å; E224-W226 PolarHBondContact O-N 3.33Å; W226-K230 VanDerWaalsContact O-CD 3.27Å; W226-K230 WeakPolarHBondContact O-CD 3.26Å; W226-T232 WeakPolarHBondContact CA-OG1 3.3Å; W226-T232 PolarHBondContact N-OG1 3.33Å; W226-L239 HydrophobicContact CZ2-CD1 4.29Å; W226-L239 HydrophobicContact CZ2-CD2 4.28Å
227	L	98.1	Very high	96.5	Very high	4 Å²	4	55.3 Å²	55.3	2%	0.021	26%	0.263	C	S	.	.	H	α-helix	trans	-93.9	-29.7	-165.4	-61.3	175.6	0	0	0	112.8	E38 I186 Y188 H223 K230 V244	E38-L227 HydrophobicContact CB-CD1 3.81Å; E38-L227 HydrophobicContact CG-CD1 4.47Å; I186-L227 HydrophobicContact CD1-CD2 3.76Å; I186-L227 HydrophobicContact CG2-CD2 4.02Å; Y188-L227 HydrophobicContact CD1-CB 4.22Å; Y188-L227 HydrophobicContact CD1-CD1 4.2Å; Y188-L227 HydrophobicContact CD2-CD1 3.57Å; Y188-L227 HydrophobicContact CE2-CD1 4.1Å; Y188-L227 HydrophobicContact CG-CB 4.41Å; Y188-L227 HydrophobicContact CG-CD1 3.64Å; H223-L227 HydrophobicContact CB-CD1 4.5Å; H223-L227 VanDerWaalsContact O-CB 3.28Å; H223-L227 WeakPolarHBondContact O-CB 3.45Å; H223-L227 PolarHBondContact O-N 3.48Å; L227-K230 WeakPolarHBondContact O-CE 3.45Å; L227-K230 PolarHBondContact O-NZ 2.85Å; L227-V244 HydrophobicContact CB-CG1 4.45Å; L227-V244 HydrophobicContact CD2-CG2 4.48Å
228	I	97.1	Very high	95.9	Very high	64 Å²	64	57.8 Å²	57.8	33%	0.328	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	-61	-175.6	-56	-57.7	0	0	0	111.2	Y188 E224 K230	Y188-I228 HydrophobicContact CD1-CD1 3.93Å; Y188-I228 HydrophobicContact CD1-CG1 4.28Å; Y188-I228 HydrophobicContact CE1-CD1 4.15Å; Y188-I228 HydrophobicContact CE1-CG1 4.03Å; E224-I228 WeakPolarHBondContact O-CA 3.38Å; E224-I228 WeakPolarHBondContact O-CB 3.5Å; E224-I228 PolarHBondContact O-N 2.88Å; I228-K230 VanDerWaalsContact C-N 3.29Å; I228-K230 PolarHBondContact O-N 3.44Å
229	E	96.8	Very high	95.5	Very high	118 Å²	118	57.3 Å²	57.3	55%	0.551	27%	0.269	S	S	*	.	S	Bend	trans	-75.8	-20.8	-173.5	-60	171.1	-172.5	0	0	112.8	E224 S231	E224-E229 PolarHBondContact O-N 2.96Å; E229-S231 PolarHBondContact O-N 3.28Å; E229-S231 PolarHBondContact OE2-OG 2.99Å
230	K	95.6	Very high	95.1	Very high	96 Å²	96	60.4 Å²	60.4	42%	0.417	29%	0.289	S	S	.	.			trans	53.9	34.1	-174.5	-52.4	-51.8	-163.2	-172.3	0	112.9	K225 W226 L227 I228 V244	K225-K230 CarbonylContact O-C 3.53Å; K225-K230 WeakPolarHBondContact O-CA 3.32Å; K225-K230 PolarHBondContact O-N 3.29Å; W226-K230 VanDerWaalsContact O-CD 3.27Å; W226-K230 WeakPolarHBondContact O-CD 3.26Å; L227-K230 WeakPolarHBondContact O-CE 3.45Å; L227-K230 PolarHBondContact O-NZ 2.85Å; I228-K230 VanDerWaalsContact C-N 3.29Å; I228-K230 PolarHBondContact O-N 3.44Å; K230-V244 VanDerWaalsContact NZ-CG2 3.27Å
231	S	96.4	Very high	94.7	Very high	73 Å²	73	66.1 Å²	66.1	51%	0.51	31%	0.313	S	S	.	.			trans	-97.2	-14	-178	65	0	0	0	0	113.5	K225 E229 E233	K225-S231 PolarHBondContact O-N 2.95Å; E229-S231 PolarHBondContact O-N 3.28Å; E229-S231 PolarHBondContact OE2-OG 2.99Å; S231-E233 PolarHBondContact O-N 2.97Å
232	T	96.6	Very high	94.6	Very high	20 Å²	20	61.5 Å²	61.5	12%	0.123	30%	0.296	C	S	.	.	S	Bend	trans	-64.3	130.6	171.6	-57.2	0	0	0	0	110.6	Y146 K225 W226 I234	Y146-T232 HydrophobicContact CD1-CG2 4.02Å; Y146-T232 HydrophobicContact CG-CG2 4.46Å; K225-T232 WeakPolarHBondContact CB-OG1 3.35Å; K225-T232 PolarHBondContact O-N 3.37Å; W226-T232 WeakPolarHBondContact CA-OG1 3.3Å; W226-T232 PolarHBondContact N-OG1 3.33Å; T232-I234 HydrophobicContact CG2-CD1 3.89Å; T232-I234 WeakPolarHBondContact O-CG1 3.34Å; T232-I234 PolarHBondContact O-N 2.56Å
233	E	95.4	Very high	94.5	Very high	153 Å²	153	64.2 Å²	64.2	72%	0.715	31%	0.314	S	S	*	.			trans	-69.3	111.1	174.3	-173.8	177.2	-169.3	0	0	110.7	Y146 S231	Y146-E233 WeakPolarHBondContact CE1-O 3.49Å; S231-E233 PolarHBondContact O-N 2.97Å
234	I	94.4	Very high	94.5	Very high	32 Å²	32	66.2 Å²	66.2	16%	0.164	33%	0.326	C	S	.	.			trans	-107.4	131.1	-177.2	-62	-55.1	0	0	0	110	Y146 T232 F236 L239 T240	Y146-I234 HydrophobicContact CD1-CD1 3.62Å; Y146-I234 HydrophobicContact CD2-CD1 3.69Å; Y146-I234 HydrophobicContact CE1-CD1 3.71Å; Y146-I234 HydrophobicContact CE2-CD1 3.79Å; Y146-I234 HydrophobicContact CG-CD1 3.61Å; T232-I234 HydrophobicContact CG2-CD1 3.89Å; T232-I234 WeakPolarHBondContact O-CG1 3.34Å; T232-I234 PolarHBondContact O-N 2.56Å; I234-F236 HydrophobicContact CG2-CB 4.42Å; I234-F236 WeakPolarHBondContact CG2-O 3.47Å; I234-L239 HydrophobicContact CD1-CD2 4.21Å; I234-L239 HydrophobicContact CG2-CB 3.85Å; I234-L239 HydrophobicContact CG2-CD2 3.8Å; I234-L239 HydrophobicContact CG2-CG 4.16Å; I234-T240 HydrophobicContact CB-CG2 3.99Å; I234-T240 HydrophobicContact CG2-CG2 3.99Å
235	H	93.3	Very high	94.5	Very high	94 Å²	94	66.6 Å²	66.6	44%	0.435	33%	0.329	S	S	.	.	S	Bend	trans	-97.7	8.5	-175	-54.5	74.7	0	0	0	113	Y146	Y146-H235 AromaticContact CE1-ND1 3.76Å; Y146-H235 PolarHBondContact OH-N 2.99Å; Y146-H235 PolarHBondContact OH-ND1 3.44Å
236	F	89.8	Confident	94.5	Very high	33 Å²	33	67.8 Å²	67.8	15%	0.145	34%	0.335	C	S	.	.			trans	-126.5	106.8	-178.7	-52.5	-67.8	0	0	0	109.1	Y142 Y146 H170 V174 I234 K238 L239	Y142-F236 HydrophobicContact CD1-CD2 4.05Å; Y142-F236 HydrophobicContact CD1-CE2 4.34Å; Y142-F236 AromaticContact CE1-CD2 3.95Å; Y142-F236 HydrophobicContact CE1-CD2 3.95Å; Y142-F236 HydrophobicContact CE1-CE2 4.38Å; Y142-F236 HydrophobicContact CE1-CG 4.39Å; Y146-F236 AromaticContact CE2-CD2 3.93Å; Y146-F236 HydrophobicContact CE2-CD2 3.93Å; Y146-F236 AromaticContact CE2-CE2 3.93Å; Y146-F236 HydrophobicContact CE2-CE2 3.93Å; Y146-F236 AromaticContact CZ-CE2 3.97Å; Y146-F236 VanDerWaalsContact OH-CD2 3.27Å; Y146-F236 WeakPolarHBondContact OH-CD2 3.49Å; Y146-F236 WeakPolarHBondContact OH-CE2 3.21Å; H170-F236 AromaticContact CE1-CE2 3.68Å; H170-F236 AromaticContact CE1-CZ 3.83Å; H170-F236 AromaticContact ND1-CZ 3.81Å; V174-F236 HydrophobicContact CB-CD1 4.42Å; V174-F236 HydrophobicContact CB-CE1 3.63Å; V174-F236 HydrophobicContact CB-CZ 3.73Å; V174-F236 HydrophobicContact CG1-CD1 3.65Å; V174-F236 HydrophobicContact CG1-CE1 3.36Å; V174-F236 HydrophobicContact CG1-CE2 4.39Å; V174-F236 HydrophobicContact CG1-CG 4.29Å; V174-F236 HydrophobicContact CG1-CZ 3.78Å; V174-F236 HydrophobicContact CG2-CE1 4.35Å; V174-F236 HydrophobicContact CG2-CE2 4.46Å; V174-F236 HydrophobicContact CG2-CZ 3.96Å; I234-F236 HydrophobicContact CG2-CB 4.42Å; I234-F236 WeakPolarHBondContact CG2-O 3.47Å; F236-K238 VanDerWaalsContact C-N 3.3Å; F236-K238 PolarHBondContact O-N 2.84Å; F236-L239 HydrophobicContact CB-CB 4.22Å; F236-L239 WeakPolarHBondContact O-CB 3.32Å; F236-L239 PolarHBondContact O-N 3.04Å
237	E	87.9	Confident	94.5	Very high	144 Å²	144	67.5 Å²	67.5	67%	0.673	33%	0.334	S	S	*	.	H	α-helix	trans	-52.6	-46	-169.6	-170.9	-171.8	167.2	0	0	112.6	L239 T240 K241	E237-L239 PolarHBondContact O-N 3.5Å; E237-T240 WeakPolarHBondContact O-CB 3.3Å; E237-T240 PolarHBondContact O-N 3.34Å; E237-T240 PolarHBondContact O-OG1 3.04Å; E237-K241 IonicContact OE1-NZ 2.56Å
238	K	85.4	Confident	94.5	Very high	133 Å²	133	70.9 Å²	70.9	58%	0.578	35%	0.352	S	S	*	.	H	α-helix	trans	-60.8	-32.2	-179.2	-66.3	-168	178.1	-179.7	0	113.6	E182 F236 T240 K241 I242	E182-K238 HydrophobicContact CG-CD 4.25Å; E182-K238 WeakPolarHBondContact OE1-CD 3.29Å; E182-K238 WeakPolarHBondContact OE1-CE 3.31Å; E182-K238 IonicContact OE1-NZ 3.58Å; E182-K238 PolarHBondContact OE1-NZ 3.23Å; E182-K238 IonicContact OE2-NZ 2.74Å; E182-K238 PolarHBondContact OE2-NZ 3.36Å; F236-K238 VanDerWaalsContact C-N 3.3Å; F236-K238 PolarHBondContact O-N 2.84Å; K238-T240 VanDerWaalsContact C-N 3.28Å; K238-T240 PolarHBondContact O-N 3.21Å; K238-K241 PolarHBondContact O-N 2.85Å; K238-I242 PolarHBondContact O-N 3.26Å
239	L	91	Very high	94.4	Very high	8 Å²	8	67.9 Å²	67.9	4%	0.042	34%	0.337	C	S	.	.	H	α-helix	trans	-71.6	-24	178.9	-169.3	73.5	0	0	0	112.1	Y142 Y146 I186 W226 I234 F236 E237 K241 I242	Y142-L239 HydrophobicContact CD1-CD1 4.41Å; Y142-L239 HydrophobicContact CD1-CD2 3.64Å; Y142-L239 HydrophobicContact CD2-CD1 3.84Å; Y142-L239 HydrophobicContact CD2-CD2 4.41Å; Y142-L239 HydrophobicContact CE1-CD2 4.31Å; Y142-L239 HydrophobicContact CE2-CD1 4.16Å; Y142-L239 HydrophobicContact CG-CD1 3.96Å; Y142-L239 HydrophobicContact CG-CD2 3.68Å; Y142-L239 HydrophobicContact CG-CG 4.48Å; Y146-L239 HydrophobicContact CD2-CD2 4.19Å; Y146-L239 HydrophobicContact CE2-CD2 3.97Å; I186-L239 HydrophobicContact CD1-CD1 4.39Å; W226-L239 HydrophobicContact CZ2-CD1 4.29Å; W226-L239 HydrophobicContact CZ2-CD2 4.28Å; I234-L239 HydrophobicContact CD1-CD2 4.21Å; I234-L239 HydrophobicContact CG2-CB 3.85Å; I234-L239 HydrophobicContact CG2-CD2 3.8Å; I234-L239 HydrophobicContact CG2-CG 4.16Å; F236-L239 HydrophobicContact CB-CB 4.22Å; F236-L239 WeakPolarHBondContact O-CB 3.32Å; F236-L239 PolarHBondContact O-N 3.04Å; E237-L239 PolarHBondContact O-N 3.5Å; L239-K241 VanDerWaalsContact C-N 3.28Å; L239-K241 PolarHBondContact O-N 3.16Å; L239-I242 HydrophobicContact CD1-CD1 4.13Å; L239-I242 HydrophobicContact CD1-CG2 4.08Å; L239-I242 VanDerWaalsContact O-CG2 3.25Å; L239-I242 WeakPolarHBondContact O-CG2 3.29Å
240	T	90	Very high	94.2	Very high	66 Å²	66	64.4 Å²	64.4	41%	0.405	33%	0.325	S	S	.	.	H	α-helix	trans	-66.3	-30.7	177.4	67.2	0	0	0	0	112.8	I234 E237 K238	I234-T240 HydrophobicContact CB-CG2 3.99Å; I234-T240 HydrophobicContact CG2-CG2 3.99Å; E237-T240 WeakPolarHBondContact O-CB 3.3Å; E237-T240 PolarHBondContact O-N 3.34Å; E237-T240 PolarHBondContact O-OG1 3.04Å; K238-T240 VanDerWaalsContact C-N 3.28Å; K238-T240 PolarHBondContact O-N 3.21Å
241	K	90.3	Very high	94	Very high	158 Å²	158	62.5 Å²	62.5	69%	0.687	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.3	7.5	-176.2	-63.1	172.3	-172.3	162.6	0	112.9	E237 K238 L239	E237-K241 IonicContact OE1-NZ 2.56Å; K238-K241 PolarHBondContact O-N 2.85Å; L239-K241 VanDerWaalsContact C-N 3.28Å; L239-K241 PolarHBondContact O-N 3.16Å
242	I	95.3	Very high	93.5	Very high	11 Å²	11	61.4 Å²	61.4	6%	0.056	32%	0.317	C	S	.	.			trans	-64.8	131.1	-175	-161.1	167.5	0	0	0	110.5	L183 I186 K238 L239 V244	L183-I242 HydrophobicContact CB-CD1 3.45Å; L183-I242 VanDerWaalsContact CB-CD1 3.45Å; L183-I242 HydrophobicContact CD1-CD1 4.47Å; L183-I242 WeakPolarHBondContact O-CD1 3.12Å; I186-I242 HydrophobicContact CD1-CD1 4.21Å; I186-I242 HydrophobicContact CD1-CG2 3.68Å; I186-I242 HydrophobicContact CG1-CD1 3.88Å; I186-I242 HydrophobicContact CG1-CG1 4.37Å; I186-I242 HydrophobicContact CG1-CG2 4.15Å; K238-I242 PolarHBondContact O-N 3.26Å; L239-I242 HydrophobicContact CD1-CD1 4.13Å; L239-I242 HydrophobicContact CD1-CG2 4.08Å; L239-I242 VanDerWaalsContact O-CG2 3.25Å; L239-I242 WeakPolarHBondContact O-CG2 3.29Å; I242-V244 HydrophobicContact CG2-CG2 4.45Å
243	P	97.5	Very high	93.1	Very high	58 Å²	58	60.7 Å²	60.7	38%	0.377	31%	0.312	S	S	.	.			trans	-67.7	139.6	177.8	29	-36.3	0	0	0	110.4	E184 G185 I186 F270 L274	E184-P243 VanDerWaalsContact O-CD 3.24Å; E184-P243 WeakPolarHBondContact O-CD 3.46Å; E184-P243 WeakPolarHBondContact O-CG 3.47Å; G185-P243 WeakPolarHBondContact CA-O 3.25Å; I186-P243 PolarHBondContact N-O 3.03Å; P243-F270 HydrophobicContact CB-CE2 3.94Å; P243-F270 HydrophobicContact CB-CZ 4.27Å; P243-F270 HydrophobicContact CG-CE2 4.4Å; P243-F270 HydrophobicContact CG-CZ 4.37Å; P243-L274 HydrophobicContact CB-CD2 4.4Å; P243-L274 HydrophobicContact CG-CD2 3.5Å; P243-L274 VanDerWaalsContact CG-CD2 3.5Å
244	V	98.4	Very high	92.6	Very high	42 Å²	42	57.3 Å²	57.3	26%	0.255	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	117.8	-178.4	-174.9	0	0	0	0	110	I186 L227 K230 I242	I186-V244 HydrophobicContact CB-CG1 4.4Å; I186-V244 HydrophobicContact CB-CG2 4.21Å; I186-V244 HydrophobicContact CG2-CG1 4.42Å; I186-V244 CarbonylContact O-C 3.58Å; I186-V244 VanDerWaalsContact O-CA 3.29Å; I186-V244 WeakPolarHBondContact O-CA 3.29Å; L227-V244 HydrophobicContact CB-CG1 4.45Å; L227-V244 HydrophobicContact CD2-CG2 4.48Å; K230-V244 VanDerWaalsContact NZ-CG2 3.27Å; I242-V244 HydrophobicContact CG2-CG2 4.45Å
245	L	98.6	Very high	92.4	Very high	27 Å²	27	65.8 Å²	65.8	14%	0.141	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	111.9	168	175.5	64.7	0	0	0	109.5	I186 I187 Y188 L247 K266 V267 F270	I186-L245 PolarHBondContact O-N 2.85Å; I187-L245 CarbonylContact C-O 3.51Å; I187-L245 WeakPolarHBondContact CA-O 3.49Å; I187-L245 HydrophobicContact CG1-CB 4.48Å; I187-L245 HydrophobicContact CG1-CD2 4.37Å; Y188-L245 PolarHBondContact N-O 3.36Å; L245-L247 HydrophobicContact CD1-CD2 4.29Å; L245-L247 HydrophobicContact CD2-CD1 4.44Å; L245-L247 HydrophobicContact CD2-CD2 4.14Å; L245-L247 HydrophobicContact CD2-CG 4.3Å; L245-L247 HydrophobicContact CG-CD2 4.1Å; L245-L247 HydrophobicContact CG-CG 4.21Å; L245-K266 HydrophobicContact CD1-CB 4.36Å; L245-K266 HydrophobicContact CD2-CB 4.4Å; L245-V267 HydrophobicContact CD2-CG2 3.8Å; L245-F270 HydrophobicContact CB-CB 4.38Å; L245-F270 HydrophobicContact CB-CD1 3.93Å; L245-F270 HydrophobicContact CB-CD2 3.79Å; L245-F270 HydrophobicContact CB-CE1 4.08Å; L245-F270 HydrophobicContact CB-CE2 3.91Å; L245-F270 HydrophobicContact CB-CG 3.78Å; L245-F270 HydrophobicContact CB-CZ 4.07Å; L245-F270 HydrophobicContact CD2-CB 3.85Å; L245-F270 HydrophobicContact CD2-CD1 4.23Å; L245-F270 HydrophobicContact CD2-CG 4.07Å; L245-F270 HydrophobicContact CG-CG 4.42Å
246	Q	98.3	Very high	92.5	Very high	83 Å²	83	64.3 Å²	64.3	39%	0.388	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	128.4	172.1	-174	-171.8	-35.7	0	0	110.8	Y188 R190	Y188-Q246 HydrophobicContact CD1-CG 4.4Å; R190-Q246 HydrophobicContact CB-CG 4.26Å
247	L	98.3	Very high	92.7	Very high	1 Å²	1	66.5 Å²	66.5	1%	0.005	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	131.4	170.6	-59.4	178	0	0	0	109.5	F48 I187 Y188 L189 R190 L245 A249 F263 K266 V267	F48-L247 HydrophobicContact CE1-CD1 3.94Å; F48-L247 HydrophobicContact CE2-CD1 4.14Å; F48-L247 HydrophobicContact CZ-CD1 3.48Å; F48-L247 VanDerWaalsContact CZ-CD1 3.48Å; I187-L247 HydrophobicContact CG2-CD1 3.71Å; I187-L247 HydrophobicContact CG2-CG 4.21Å; Y188-L247 PolarHBondContact O-N 2.8Å; L189-L247 HydrophobicContact CD2-CB 3.9Å; L189-L247 HydrophobicContact CD2-CD1 3.99Å; L189-L247 HydrophobicContact CD2-CG 4.49Å; R190-L247 PolarHBondContact N-O 3.3Å; L245-L247 HydrophobicContact CD1-CD2 4.29Å; L245-L247 HydrophobicContact CD2-CD1 4.44Å; L245-L247 HydrophobicContact CD2-CD2 4.14Å; L245-L247 HydrophobicContact CD2-CG 4.3Å; L245-L247 HydrophobicContact CG-CD2 4.1Å; L245-L247 HydrophobicContact CG-CG 4.21Å; L247-A249 PolarHBondContact O-N 3.23Å; L247-A249 VanDerWaalsContact O-N 3.07Å; L247-F263 HydrophobicContact CB-CD2 4.33Å; L247-F263 HydrophobicContact CB-CE2 4.06Å; L247-F263 HydrophobicContact CB-CZ 4.22Å; L247-F263 HydrophobicContact CD1-CB 4.38Å; L247-F263 HydrophobicContact CD1-CD2 4.01Å; L247-F263 HydrophobicContact CD1-CG 4.21Å; L247-F263 HydrophobicContact CD2-CD1 4.27Å; L247-F263 HydrophobicContact CD2-CG 4.32Å; L247-K266 HydrophobicContact CD2-CB 4.2Å; L247-K266 HydrophobicContact CD2-CD 3.84Å; L247-V267 HydrophobicContact CD1-CG2 4.22Å
248	D	97.2	Very high	93.1	Very high	75 Å²	75	67.5 Å²	67.5	40%	0.401	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	93.9	178.5	179.2	8.3	0	0	0	110.4	S250 V251 F263	D248-S250 PolarHBondContact O-N 2.87Å; D248-S250 VanDerWaalsContact O-N 3.15Å; D248-S250 WeakPolarHBondContact OD1-CB 3.16Å; D248-S250 PolarHBondContact OD1-N 3.36Å; D248-S250 PolarHBondContact OD1-OG 3.23Å; D248-S250 PolarHBondContact OD2-OG 3.01Å; D248-S250 VanDerWaalsContact OD2-OG 3.07Å; D248-V251 WeakPolarHBondContact O-CG2 3.3Å; D248-F263 VanDerWaalsContact O-CZ 3.31Å; D248-F263 WeakPolarHBondContact O-CZ 3.35Å
249	A	95.6	Very high	93.6	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	6.7	178.6	0	0	0	0	0	113.2	V43 L189 R190 A191 R199 L247 F253	V43-A249 HydrophobicContact CG2-CB 3.77Å; L189-A249 HydrophobicContact CB-CB 4.05Å; R190-A249 PolarHBondContact O-N 3.02Å; A191-A249 HydrophobicContact CB-CB 4.16Å; R199-A249 VanDerWaalsContact CZ-O 3.25Å; R199-A249 PolarHBondContact NH1-O 2.99Å; R199-A249 PolarHBondContact NH2-O 2.98Å; L247-A249 PolarHBondContact O-N 3.23Å; L247-A249 VanDerWaalsContact O-N 3.07Å; A249-F253 HydrophobicContact CB-CE1 4.08Å
250	S	92.4	Very high	93.9	Very high	45 Å²	45	64.2 Å²	64.2	32%	0.315	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-31.3	170.6	75.6	0	0	0	0	112.3	M195 D248	M195-S250 VanDerWaalsContact CE-O 3.25Å; M195-S250 WeakPolarHBondContact CE-O 3.46Å; M195-S250 VanDerWaalsContact SD-CB 3.59Å; D248-S250 PolarHBondContact O-N 2.87Å; D248-S250 VanDerWaalsContact O-N 3.15Å; D248-S250 WeakPolarHBondContact OD1-CB 3.16Å; D248-S250 PolarHBondContact OD1-N 3.36Å; D248-S250 PolarHBondContact OD1-OG 3.23Å; D248-S250 PolarHBondContact OD2-OG 3.01Å; D248-S250 VanDerWaalsContact OD2-OG 3.07Å
251	V	92.6	Very high	94.2	Very high	56 Å²	56	67.6 Å²	67.6	34%	0.339	34%	0.343	S	S	.	.	S	Bend	trans	-72.5	154.3	175.6	-62.6	0	0	0	0	111.9	D248 F253 V259 F263	D248-V251 WeakPolarHBondContact O-CG2 3.3Å; V251-F253 PolarHBondContact O-N 3.09Å; V251-V259 HydrophobicContact CB-CG1 4.32Å; V251-V259 HydrophobicContact CG2-CG1 3.49Å; V251-V259 VanDerWaalsContact CG2-CG1 3.49Å; V251-V259 HydrophobicContact CG2-CG2 4.42Å; V251-F263 HydrophobicContact CG2-CE1 4.19Å; V251-F263 HydrophobicContact CG2-CZ 3.72Å
252	A	85.4	Confident	94.5	Very high	50 Å²	50	64.4 Å²	64.4	41%	0.413	33%	0.333	S	S	.	.			trans	-76.9	54.1	-172.6	0	0	0	0	0	113.8	N254 R255 D256	A252-N254 PolarHBondContact O-N 2.88Å; A252-R255 PolarHBondContact O-N 3.06Å; A252-D256 WeakPolarHBondContact O-CB 3.32Å; A252-D256 PolarHBondContact O-N 3.26Å
253	F	87.8	Confident	94.6	Very high	5 Å²	5	64.1 Å²	64.1	2%	0.022	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-16.5	-179.3	77.3	-93.8	0	0	0	113.5	T47 F48 A249 V251 R255 V259 Q260 F263	T47-F253 HydrophobicContact CG2-CE2 4.08Å; F48-F253 HydrophobicContact CB-CE2 3.82Å; F48-F253 HydrophobicContact CB-CZ 4.22Å; F48-F253 HydrophobicContact CD2-CD2 4.13Å; F48-F253 HydrophobicContact CD2-CE2 4.05Å; F48-F253 HydrophobicContact CG-CE2 4.41Å; A249-F253 HydrophobicContact CB-CE1 4.08Å; V251-F253 PolarHBondContact O-N 3.09Å; F253-R255 VanDerWaalsContact C-N 3.29Å; F253-V259 HydrophobicContact CB-CB 4.47Å; F253-V259 HydrophobicContact CB-CG1 3.56Å; F253-Q260 WeakPolarHBondContact O-CG 3.47Å; F253-Q260 PolarHBondContact O-NE2 2.99Å; F253-F263 HydrophobicContact CB-CD2 4Å; F253-F263 HydrophobicContact CB-CE2 3.79Å; F253-F263 HydrophobicContact CB-CZ 4.49Å; F253-F263 HydrophobicContact CD1-CE2 4.08Å; F253-F263 HydrophobicContact CG-CD2 4.29Å; F253-F263 HydrophobicContact CG-CE2 4.01Å
254	N	85.9	Confident	94.6	Very high	83 Å²	83	62.1 Å²	62.1	44%	0.444	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-15.9	175.4	65.6	-34.8	0	0	0	113.5	T47 A252	T47-N254 HydrophobicContact CG2-CB 3.91Å; A252-N254 PolarHBondContact O-N 2.88Å
255	R	89.9	Confident	94.6	Very high	210 Å²	210	62.2 Å²	62.2	79%	0.792	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.7	-27.2	-174.3	-65.5	178.6	-176	179.9	1.1	113.9	A252 F253 P257	A252-R255 PolarHBondContact O-N 3.06Å; F253-R255 VanDerWaalsContact C-N 3.29Å; R255-P257 VanDerWaalsContact O-CD 3.31Å; R255-P257 WeakPolarHBondContact O-CD 3.4Å
256	D	94.8	Very high	94.6	Very high	62 Å²	62	65.3 Å²	65.3	33%	0.332	34%	0.335	S	S	.	.			trans	-90.8	109.9	-178.2	-172.7	-23.3	0	0	0	111	A252 K258 V259 Q260	A252-D256 WeakPolarHBondContact O-CB 3.32Å; A252-D256 PolarHBondContact O-N 3.26Å; D256-K258 VanDerWaalsContact C-N 3.26Å; D256-K258 PolarHBondContact O-N 3.25Å; D256-K258 WeakPolarHBondContact OD1-CB 3.44Å; D256-K258 PolarHBondContact OD1-N 3Å; D256-V259 HydrophobicContact CB-CB 4.06Å; D256-V259 HydrophobicContact CB-CG2 3.85Å; D256-V259 PolarHBondContact O-N 3.3Å; D256-V259 PolarHBondContact OD1-N 3.36Å; D256-Q260 WeakPolarHBondContact O-CG 3.45Å; D256-Q260 PolarHBondContact O-N 3.01Å; D256-Q260 VanDerWaalsContact O-N 3.07Å
257	P	94.5	Very high	94.5	Very high	79 Å²	79	61.3 Å²	61.3	51%	0.513	32%	0.317	S	S	.	.	H	α-helix	trans	-62	-31.3	-179.8	-22.3	35.2	0	0	0	113.2	R255 Q260 E261	R255-P257 VanDerWaalsContact O-CD 3.31Å; R255-P257 WeakPolarHBondContact O-CD 3.4Å; P257-Q260 WeakPolarHBondContact O-CB 3.28Å; P257-Q260 PolarHBondContact O-N 2.89Å; P257-E261 WeakPolarHBondContact O-CG 3.36Å; P257-E261 PolarHBondContact O-N 3Å
258	K	95.7	Very high	94.5	Very high	165 Å²	165	65.9 Å²	65.9	72%	0.717	34%	0.336	S	S	*	.	H	α-helix	trans	-68.5	-39.1	179.3	-64.6	-179.8	177	178.5	0	111.1	D256 Q260 L262	D256-K258 VanDerWaalsContact C-N 3.26Å; D256-K258 PolarHBondContact O-N 3.25Å; D256-K258 WeakPolarHBondContact OD1-CB 3.44Å; D256-K258 PolarHBondContact OD1-N 3Å; K258-Q260 VanDerWaalsContact C-N 3.34Å; K258-L262 WeakPolarHBondContact O-CB 3.46Å; K258-L262 PolarHBondContact O-N 2.94Å
259	V	96.1	Very high	94.4	Very high	21 Å²	21	66.6 Å²	66.6	13%	0.127	34%	0.34	C	S	.	.	H	α-helix	trans	-66.5	-40.1	174	177.3	0	0	0	0	110.4	V251 F253 D256 L262 F263	V251-V259 HydrophobicContact CB-CG1 4.32Å; V251-V259 HydrophobicContact CG2-CG1 3.49Å; V251-V259 VanDerWaalsContact CG2-CG1 3.49Å; V251-V259 HydrophobicContact CG2-CG2 4.42Å; F253-V259 HydrophobicContact CB-CB 4.47Å; F253-V259 HydrophobicContact CB-CG1 3.56Å; D256-V259 HydrophobicContact CB-CB 4.06Å; D256-V259 HydrophobicContact CB-CG2 3.85Å; D256-V259 PolarHBondContact O-N 3.3Å; D256-V259 PolarHBondContact OD1-N 3.36Å; V259-L262 PolarHBondContact O-N 3.46Å; V259-F263 HydrophobicContact CG1-CD1 4.2Å; V259-F263 HydrophobicContact CG1-CE1 3.91Å; V259-F263 HydrophobicContact CG1-CE2 4.38Å; V259-F263 HydrophobicContact CG1-CZ 4Å; V259-F263 WeakPolarHBondContact O-CD1 3.39Å; V259-F263 PolarHBondContact O-N 3.35Å
260	Q	96.4	Very high	94.5	Very high	52 Å²	52	67.5 Å²	67.5	24%	0.243	34%	0.344	C	S	.	.	H	α-helix	trans	-59.8	-51.8	174.9	-68.2	176.3	-2.1	0	0	111.2	L51 F253 D256 P257 K258 L262 F263 I264	L51-Q260 HydrophobicContact CD1-CB 4.36Å; L51-Q260 HydrophobicContact CD1-CG 4.29Å; L51-Q260 HydrophobicContact CD2-CB 4.01Å; L51-Q260 HydrophobicContact CD2-CG 3.82Å; F253-Q260 WeakPolarHBondContact O-CG 3.47Å; F253-Q260 PolarHBondContact O-NE2 2.99Å; D256-Q260 WeakPolarHBondContact O-CG 3.45Å; D256-Q260 PolarHBondContact O-N 3.01Å; D256-Q260 VanDerWaalsContact O-N 3.07Å; P257-Q260 WeakPolarHBondContact O-CB 3.28Å; P257-Q260 PolarHBondContact O-N 2.89Å; K258-Q260 VanDerWaalsContact C-N 3.34Å; Q260-L262 VanDerWaalsContact C-N 3.31Å; Q260-L262 PolarHBondContact O-N 3.05Å; Q260-F263 PolarHBondContact O-N 3.42Å; Q260-F263 VanDerWaalsContact O-N 3.16Å; Q260-I264 WeakPolarHBondContact O-CB 3.33Å; Q260-I264 VanDerWaalsContact O-CG1 3.25Å; Q260-I264 WeakPolarHBondContact O-CG1 3.47Å; Q260-I264 PolarHBondContact O-N 2.96Å
261	E	96.4	Very high	94.7	Very high	137 Å²	137	65.6 Å²	65.6	64%	0.64	33%	0.33	S	S	*	.	H	α-helix	trans	-56.1	-44.7	177.1	-75.3	174	-172.6	0	0	111.9	P257 F263 I264 A265	P257-E261 WeakPolarHBondContact O-CG 3.36Å; P257-E261 PolarHBondContact O-N 3Å; E261-F263 PolarHBondContact O-N 3.2Å; E261-I264 PolarHBondContact O-N 2.96Å; E261-A265 WeakPolarHBondContact O-CB 3.33Å; E261-A265 PolarHBondContact O-N 3.33Å
262	L	97.3	Very high	94.7	Very high	91 Å²	91	70.1 Å²	70.1	48%	0.476	35%	0.345	S	S	.	.	H	α-helix	trans	-60.6	-45.3	176.5	178.8	65.8	0	0	0	112.2	K258 V259 Q260 A265 K266	K258-L262 WeakPolarHBondContact O-CB 3.46Å; K258-L262 PolarHBondContact O-N 2.94Å; V259-L262 PolarHBondContact O-N 3.46Å; Q260-L262 VanDerWaalsContact C-N 3.31Å; Q260-L262 PolarHBondContact O-N 3.05Å; L262-A265 PolarHBondContact O-N 3.45Å; L262-K266 WeakPolarHBondContact O-CG 3.23Å; L262-K266 PolarHBondContact O-N 3.28Å; L262-K266 VanDerWaalsContact O-N 3.1Å
263	F	97.9	Very high	95.1	Very high	5 Å²	5	72.9 Å²	72.9	2%	0.022	36%	0.357	C	S	.	.	H	α-helix	trans	-66.9	-41	179.6	-79.7	17.9	0	0	0	111.2	F48 L247 D248 V251 F253 V259 Q260 E261 K266 V267	F48-F263 HydrophobicContact CD2-CD2 4.4Å; F48-F263 HydrophobicContact CE2-CB 3.97Å; F48-F263 AromaticContact CE2-CD2 3.86Å; F48-F263 HydrophobicContact CE2-CD2 3.86Å; F48-F263 HydrophobicContact CE2-CG 4.43Å; F48-F263 HydrophobicContact CZ-CB 4.44Å; L247-F263 HydrophobicContact CB-CD2 4.33Å; L247-F263 HydrophobicContact CB-CE2 4.06Å; L247-F263 HydrophobicContact CB-CZ 4.22Å; L247-F263 HydrophobicContact CD1-CB 4.38Å; L247-F263 HydrophobicContact CD1-CD2 4.01Å; L247-F263 HydrophobicContact CD1-CG 4.21Å; L247-F263 HydrophobicContact CD2-CD1 4.27Å; L247-F263 HydrophobicContact CD2-CG 4.32Å; D248-F263 VanDerWaalsContact O-CZ 3.31Å; D248-F263 WeakPolarHBondContact O-CZ 3.35Å; V251-F263 HydrophobicContact CG2-CE1 4.19Å; V251-F263 HydrophobicContact CG2-CZ 3.72Å; F253-F263 HydrophobicContact CB-CD2 4Å; F253-F263 HydrophobicContact CB-CE2 3.79Å; F253-F263 HydrophobicContact CB-CZ 4.49Å; F253-F263 HydrophobicContact CD1-CE2 4.08Å; F253-F263 HydrophobicContact CG-CD2 4.29Å; F253-F263 HydrophobicContact CG-CE2 4.01Å; V259-F263 HydrophobicContact CG1-CD1 4.2Å; V259-F263 HydrophobicContact CG1-CE1 3.91Å; V259-F263 HydrophobicContact CG1-CE2 4.38Å; V259-F263 HydrophobicContact CG1-CZ 4Å; V259-F263 WeakPolarHBondContact O-CD1 3.39Å; V259-F263 PolarHBondContact O-N 3.35Å; Q260-F263 PolarHBondContact O-N 3.42Å; Q260-F263 VanDerWaalsContact O-N 3.16Å; E261-F263 PolarHBondContact O-N 3.2Å; F263-K266 PolarHBondContact O-N 3.4Å; F263-V267 WeakPolarHBondContact O-CG2 3.34Å; F263-V267 PolarHBondContact O-N 3.06Å
264	I	97.3	Very high	95.2	Very high	15 Å²	15	75 Å²	75	8%	0.077	37%	0.369	C	S	.	.	H	α-helix	trans	-64.1	-41	176.9	-68.1	-54.3	0	0	0	111.5	L51 L52 V55 Q260 E261 V267 K268	L51-I264 HydrophobicContact CD2-CD1 4.27Å; L51-I264 HydrophobicContact CD2-CG1 4.39Å; L51-I264 HydrophobicContact CG-CD1 4.14Å; L51-I264 HydrophobicContact CG-CG1 4.47Å; L52-I264 HydrophobicContact CD2-CD1 3.59Å; V55-I264 HydrophobicContact CB-CD1 4.44Å; V55-I264 HydrophobicContact CG1-CG2 3.71Å; V55-I264 HydrophobicContact CG2-CD1 3.76Å; V55-I264 HydrophobicContact CG2-CG1 3.89Å; V55-I264 HydrophobicContact CG2-CG2 4.28Å; Q260-I264 WeakPolarHBondContact O-CB 3.33Å; Q260-I264 VanDerWaalsContact O-CG1 3.25Å; Q260-I264 WeakPolarHBondContact O-CG1 3.47Å; Q260-I264 PolarHBondContact O-N 2.96Å; E261-I264 PolarHBondContact O-N 2.96Å; I264-V267 PolarHBondContact O-N 2.92Å; I264-K268 HydrophobicContact CG2-CD 4.23Å; I264-K268 HydrophobicContact CG2-CG 4.43Å; I264-K268 WeakPolarHBondContact O-CB 3.32Å; I264-K268 WeakPolarHBondContact O-CG 3.38Å; I264-K268 PolarHBondContact O-N 3.31Å
265	A	97.7	Very high	95.7	Very high	45 Å²	45	74.7 Å²	74.7	37%	0.372	37%	0.365	S	S	.	.	H	α-helix	trans	-58.7	-49.6	174	0	0	0	0	0	111.1	E261 L262 V267 K268 D269	E261-A265 WeakPolarHBondContact O-CB 3.33Å; E261-A265 PolarHBondContact O-N 3.33Å; L262-A265 PolarHBondContact O-N 3.45Å; A265-V267 VanDerWaalsContact C-N 3.32Å; A265-V267 PolarHBondContact O-N 2.94Å; A265-K268 PolarHBondContact O-N 3.39Å; A265-D269 PolarHBondContact O-N 2.75Å
266	K	98.3	Very high	96	Very high	91 Å²	91	67.5 Å²	67.5	40%	0.396	34%	0.342	S	S	.	.	H	α-helix	trans	-58.3	-41.2	176.1	-71.6	-179.8	177.4	-173.3	0	113	L245 L247 L262 F263 F270	L245-K266 HydrophobicContact CD1-CB 4.36Å; L245-K266 HydrophobicContact CD2-CB 4.4Å; L247-K266 HydrophobicContact CD2-CB 4.2Å; L247-K266 HydrophobicContact CD2-CD 3.84Å; L262-K266 WeakPolarHBondContact O-CG 3.23Å; L262-K266 PolarHBondContact O-N 3.28Å; L262-K266 VanDerWaalsContact O-N 3.1Å; F263-K266 PolarHBondContact O-N 3.4Å; K266-F270 VanDerWaalsContact O-CB 3.28Å; K266-F270 WeakPolarHBondContact O-CB 3.15Å; K266-F270 PolarHBondContact O-N 2.79Å
267	V	97.8	Very high	96	Very high	0 Å²	0	67.8 Å²	67.8	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-67.5	-42.2	177.4	169.8	0	0	0	0	111.7	F48 L52 W59 I187 L245 L247 F263 I264 A265 D269 F270 F271	F48-V267 HydrophobicContact CE1-CG2 4.3Å; F48-V267 HydrophobicContact CZ-CG2 3.85Å; L52-V267 HydrophobicContact CD2-CB 4.38Å; L52-V267 HydrophobicContact CD2-CG1 3.89Å; L52-V267 HydrophobicContact CD2-CG2 4.3Å; W59-V267 HydrophobicContact CH2-CG1 4Å; W59-V267 HydrophobicContact CZ3-CG1 4.33Å; I187-V267 HydrophobicContact CD1-CG1 4.24Å; I187-V267 HydrophobicContact CD1-CG2 4.02Å; L245-V267 HydrophobicContact CD2-CG2 3.8Å; L247-V267 HydrophobicContact CD1-CG2 4.22Å; F263-V267 WeakPolarHBondContact O-CG2 3.34Å; F263-V267 PolarHBondContact O-N 3.06Å; I264-V267 PolarHBondContact O-N 2.92Å; A265-V267 VanDerWaalsContact C-N 3.32Å; A265-V267 PolarHBondContact O-N 2.94Å; V267-D269 VanDerWaalsContact C-N 3.33Å; V267-D269 PolarHBondContact O-N 2.98Å; V267-F270 PolarHBondContact O-N 3.09Å; V267-F271 HydrophobicContact CG1-CD1 4.29Å; V267-F271 HydrophobicContact CG1-CD2 3.91Å; V267-F271 HydrophobicContact CG1-CE1 3.87Å; V267-F271 HydrophobicContact CG1-CE2 3.48Å; V267-F271 VanDerWaalsContact CG1-CE2 3.48Å; V267-F271 HydrophobicContact CG1-CG 4.31Å; V267-F271 HydrophobicContact CG1-CZ 3.45Å; V267-F271 VanDerWaalsContact CG1-CZ 3.45Å; V267-F271 WeakPolarHBondContact O-CG 3.27Å; V267-F271 PolarHBondContact O-N 2.85Å
268	K	96.5	Very high	96.1	Very high	96 Å²	96	67.2 Å²	67.2	42%	0.417	33%	0.333	S	S	.	.	H	α-helix	trans	-60.4	-44.4	176.1	-76.1	179.9	177.1	-177.9	0	111.3	W59 I264 A265 F271 K272	W59-K268 HydrophobicContact CH2-CG 3.78Å; W59-K268 HydrophobicContact CZ2-CG 3.95Å; I264-K268 HydrophobicContact CG2-CD 4.23Å; I264-K268 HydrophobicContact CG2-CG 4.43Å; I264-K268 WeakPolarHBondContact O-CB 3.32Å; I264-K268 WeakPolarHBondContact O-CG 3.38Å; I264-K268 PolarHBondContact O-N 3.31Å; A265-K268 PolarHBondContact O-N 3.39Å; K268-F271 PolarHBondContact O-N 3.5Å; K268-K272 WeakPolarHBondContact O-CG 3.48Å; K268-K272 PolarHBondContact O-N 2.83Å
269	D	96.9	Very high	96.2	Very high	90 Å²	90	61.1 Å²	61.1	48%	0.481	31%	0.309	S	S	.	.	H	α-helix	trans	-66.6	-42.5	178	-67.7	-20.6	0	0	0	111	A265 V267 F271 K272 T273	A265-D269 PolarHBondContact O-N 2.75Å; V267-D269 VanDerWaalsContact C-N 3.33Å; V267-D269 PolarHBondContact O-N 2.98Å; D269-F271 PolarHBondContact O-N 2.87Å; D269-K272 PolarHBondContact O-N 3.05Å; D269-K272 IonicContact OD1-NZ 3.69Å; D269-T273 WeakPolarHBondContact O-CG2 3.34Å; D269-T273 PolarHBondContact O-N 3.26Å
270	F	97.6	Very high	96.2	Very high	19 Å²	19	63.7 Å²	63.7	8%	0.083	32%	0.321	C	S	.	.	H	α-helix	trans	-57.1	-49.2	174.2	-177.4	-116.7	0	0	0	112.1	V35 I187 P243 L245 K266 V267 K272 T273 L274	V35-F270 HydrophobicContact CG1-CE1 4.46Å; I187-F270 HydrophobicContact CG1-CD1 4.33Å; I187-F270 HydrophobicContact CG1-CE1 4.25Å; P243-F270 HydrophobicContact CB-CE2 3.94Å; P243-F270 HydrophobicContact CB-CZ 4.27Å; P243-F270 HydrophobicContact CG-CE2 4.4Å; P243-F270 HydrophobicContact CG-CZ 4.37Å; L245-F270 HydrophobicContact CB-CB 4.38Å; L245-F270 HydrophobicContact CB-CD1 3.93Å; L245-F270 HydrophobicContact CB-CD2 3.79Å; L245-F270 HydrophobicContact CB-CE1 4.08Å; L245-F270 HydrophobicContact CB-CE2 3.91Å; L245-F270 HydrophobicContact CB-CG 3.78Å; L245-F270 HydrophobicContact CB-CZ 4.07Å; L245-F270 HydrophobicContact CD2-CB 3.85Å; L245-F270 HydrophobicContact CD2-CD1 4.23Å; L245-F270 HydrophobicContact CD2-CG 4.07Å; L245-F270 HydrophobicContact CG-CG 4.42Å; K266-F270 VanDerWaalsContact O-CB 3.28Å; K266-F270 WeakPolarHBondContact O-CB 3.15Å; K266-F270 PolarHBondContact O-N 2.79Å; V267-F270 PolarHBondContact O-N 3.09Å; F270-K272 VanDerWaalsContact C-N 3.27Å; F270-K272 PolarHBondContact O-N 2.81Å; F270-T273 PolarHBondContact O-N 3.19Å; F270-T273 PolarHBondContact O-OG1 2.96Å; F270-L274 HydrophobicContact CD1-CD1 4.36Å; F270-L274 HydrophobicContact CE1-CD1 4.06Å; F270-L274 HydrophobicContact CE1-CD2 4.26Å; F270-L274 HydrophobicContact CE2-CD2 4.13Å; F270-L274 HydrophobicContact CZ-CD2 3.95Å; F270-L274 WeakPolarHBondContact O-CG 3.38Å; F270-L274 PolarHBondContact O-N 3.5Å
271	F	95.5	Very high	96.2	Very high	6 Å²	6	64.6 Å²	64.6	3%	0.026	33%	0.327	C	S	.	.	H	α-helix	trans	-62.4	-31.1	179.5	-69.5	-9.2	0	0	0	113.8	V35 W59 V134 V136 I187 V267 K268 D269 T273 L274	V35-F271 HydrophobicContact CB-CE1 4.15Å; V35-F271 HydrophobicContact CG1-CE1 4.04Å; V35-F271 HydrophobicContact CG2-CD1 4.24Å; V35-F271 HydrophobicContact CG2-CE1 3.8Å; W59-F271 HydrophobicContact CD2-CD2 4.37Å; W59-F271 AromaticContact CD2-CE2 3.86Å; W59-F271 HydrophobicContact CD2-CE2 3.86Å; W59-F271 AromaticContact CE2-CD2 3.56Å; W59-F271 AromaticContact CE2-CE2 3.52Å; W59-F271 HydrophobicContact CE3-CE2 4.32Å; W59-F271 HydrophobicContact CG-CE2 4.31Å; W59-F271 HydrophobicContact CH2-CD2 4.3Å; W59-F271 HydrophobicContact CH2-CE2 4.17Å; W59-F271 AromaticContact CZ2-CD2 3.53Å; W59-F271 HydrophobicContact CZ2-CD2 3.53Å; W59-F271 AromaticContact CZ2-CE2 3.7Å; W59-F271 HydrophobicContact CZ2-CE2 3.7Å; W59-F271 HydrophobicContact CZ3-CE2 4.46Å; W59-F271 AromaticContact NE1-CD2 3.62Å; W59-F271 AromaticContact NE1-CE2 3.78Å; V134-F271 HydrophobicContact CB-CD2 4.32Å; V134-F271 HydrophobicContact CB-CE2 4.12Å; V134-F271 HydrophobicContact CG1-CD2 4.38Å; V134-F271 HydrophobicContact CG1-CE1 4.18Å; V134-F271 HydrophobicContact CG1-CE2 3.98Å; V134-F271 HydrophobicContact CG1-CZ 3.87Å; V134-F271 HydrophobicContact CG2-CB 4.42Å; V134-F271 HydrophobicContact CG2-CD2 3.66Å; V134-F271 HydrophobicContact CG2-CE2 3.98Å; V134-F271 HydrophobicContact CG2-CG 4.03Å; V136-F271 HydrophobicContact CG2-CE2 4.47Å; V136-F271 HydrophobicContact CG2-CZ 3.98Å; I187-F271 HydrophobicContact CD1-CE1 4.01Å; I187-F271 HydrophobicContact CD1-CZ 4.13Å; V267-F271 HydrophobicContact CG1-CD1 4.29Å; V267-F271 HydrophobicContact CG1-CD2 3.91Å; V267-F271 HydrophobicContact CG1-CE1 3.87Å; V267-F271 HydrophobicContact CG1-CE2 3.48Å; V267-F271 VanDerWaalsContact CG1-CE2 3.48Å; V267-F271 HydrophobicContact CG1-CG 4.31Å; V267-F271 HydrophobicContact CG1-CZ 3.45Å; V267-F271 VanDerWaalsContact CG1-CZ 3.45Å; V267-F271 WeakPolarHBondContact O-CG 3.27Å; V267-F271 PolarHBondContact O-N 2.85Å; K268-F271 PolarHBondContact O-N 3.5Å; D269-F271 PolarHBondContact O-N 2.87Å; F271-T273 PolarHBondContact O-N 3.2Å; F271-L274 HydrophobicContact CD1-CD1 4.11Å; F271-L274 PolarHBondContact O-N 2.96Å
272	K	92.8	Very high	96.1	Very high	150 Å²	150	59 Å²	59	65%	0.652	30%	0.303	S	S	*	.	H	α-helix	trans	-69.9	-22	174.1	-69.2	168.6	-173.1	168.8	0	113.1	K268 D269 F270	K268-K272 WeakPolarHBondContact O-CG 3.48Å; K268-K272 PolarHBondContact O-N 2.83Å; D269-K272 PolarHBondContact O-N 3.05Å; D269-K272 IonicContact OD1-NZ 3.69Å; F270-K272 VanDerWaalsContact C-N 3.27Å; F270-K272 PolarHBondContact O-N 2.81Å
273	T	93.3	Very high	96	Very high	108 Å²	108	56.3 Å²	56.3	66%	0.663	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-9.2	178.4	64.4	0	0	0	0	113.8	D269 F270 F271	D269-T273 WeakPolarHBondContact O-CG2 3.34Å; D269-T273 PolarHBondContact O-N 3.26Å; F270-T273 PolarHBondContact O-N 3.19Å; F270-T273 PolarHBondContact O-OG1 2.96Å; F271-T273 PolarHBondContact O-N 3.2Å
274	L	90.7	Very high	95.9	Very high	51 Å²	51	61 Å²	61	27%	0.267	31%	0.312	S	S	.	.			trans	-84.8	0	-178	-58.8	-173.4	0	0	0	113.3	K33 V35 E184 P243 F270 F271	K33-L274 HydrophobicContact CD-CB 4.39Å; K33-L274 VanDerWaalsContact CE-O 3.24Å; K33-L274 WeakPolarHBondContact CE-O 3.48Å; K33-L274 PolarHBondContact NZ-O 2.85Å; K33-L274 VanDerWaalsContact NZ-O 3.12Å; K33-L274 PolarHBondContact NZ-OXT 2.85Å; V35-L274 HydrophobicContact CG2-CD1 3.41Å; V35-L274 VanDerWaalsContact CG2-CD1 3.41Å; E184-L274 HydrophobicContact CB-CD1 4.49Å; E184-L274 WeakPolarHBondContact O-CD2 3.43Å; P243-L274 HydrophobicContact CB-CD2 4.4Å; P243-L274 HydrophobicContact CG-CD2 3.5Å; P243-L274 VanDerWaalsContact CG-CD2 3.5Å; F270-L274 HydrophobicContact CD1-CD1 4.36Å; F270-L274 HydrophobicContact CE1-CD1 4.06Å; F270-L274 HydrophobicContact CE1-CD2 4.26Å; F270-L274 HydrophobicContact CE2-CD2 4.13Å; F270-L274 HydrophobicContact CZ-CD2 3.95Å; F270-L274 WeakPolarHBondContact O-CG 3.38Å; F270-L274 PolarHBondContact O-N 3.5Å; F271-L274 HydrophobicContact CD1-CD1 4.11Å; F271-L274 PolarHBondContact O-N 2.96Å

Retrieved 274 of 274 residues in 156.8 ms (Link to these results)

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