A0A077Z6X2_TRITR Loading...

Carboxylic ester hydrolase

AlphaFold DB , UniProt , Accession A0A077Z6X2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 630 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.9	Very low	31.2	Very low	236 Å²	236	168.7 Å²	168.7	100%	1.163	84%	0.843	S	S	*	*				0	101.8	0	-68.9	-178.4	-176.4	0	0	108.3
2	P	40.3	Very low	31.3	Very low	122 Å²	122	164.1 Å²	164.1	79%	0.792	83%	0.834	S	S	*	*			trans	-114.4	123.2	166.7	28.2	-11.6	0	0	0	110.3	Q4	P2-Q4 PolarHBondContact O-N 3.5Å
3	Y	33.9	Very low	31.2	Very low	225 Å²	225	163.3 Å²	163.3	88%	0.882	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-64.5	123.9	170.7	-86	-98.7	0	0	0	109.7
4	Q	30.7	Very low	31	Very low	194 Å²	194	164.5 Å²	164.5	91%	0.907	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-81.8	120	167.3	-72	-178.4	-31.1	0	0	108.8	P2	P2-Q4 PolarHBondContact O-N 3.5Å
5	H	32.6	Very low	31.2	Very low	180 Å²	180	160.2 Å²	160.2	83%	0.833	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-84.6	141.4	165.3	-95.6	-78.2	0	0	0	110
6	P	34.7	Very low	31.1	Very low	107 Å²	107	154.9 Å²	154.9	70%	0.695	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-82.2	133.5	-174.7	32.3	-31.2	0	0	0	111.4	V8	P6-V8 PolarHBondContact O-N 2.87Å
7	L	27.8	Very low	31.2	Very low	173 Å²	173	156.1 Å²	156.1	91%	0.906	82%	0.824	S	S	*	*			trans	-66.4	107	167	-87.3	148.2	0	0	0	109.4	L9	L7-L9 PolarHBondContact O-N 3.07Å
8	V	29.9	Very low	31.2	Very low	109 Å²	109	157.5 Å²	157.5	66%	0.661	83%	0.832	S	S	*	*			trans	-79.3	104.2	166	178	0	0	0	0	107.7	P6 W10	P6-V8 PolarHBondContact O-N 2.87Å; V8-W10 PolarHBondContact O-N 3.46Å; V8-W10 VanDerWaalsContact O-N 3.16Å
9	L	26.5	Very low	31.3	Very low	159 Å²	159	153.6 Å²	153.6	83%	0.832	82%	0.824	S	S	*	*			trans	-65.5	104	168.2	-86.9	152.8	0	0	0	109.4	L7 V11	L7-L9 PolarHBondContact O-N 3.07Å; L9-V11 PolarHBondContact O-N 2.73Å
10	W	25.5	Very low	31.3	Very low	231 Å²	231	154.3 Å²	154.3	88%	0.875	83%	0.827	S	S	*	*			trans	-76.5	107.6	163.4	-85.3	60.1	0	0	0	108.8	V8 P12	V8-W10 PolarHBondContact O-N 3.46Å; V8-W10 VanDerWaalsContact O-N 3.16Å; W10-P12 WeakPolarHBondContact O-CD 3.47Å
11	V	26.9	Very low	31.2	Very low	120 Å²	120	155.4 Å²	155.4	73%	0.727	83%	0.827	S	S	*	*			trans	-79.3	116	164.8	176.5	0	0	0	0	107.2	L9 L13	L9-V11 PolarHBondContact O-N 2.73Å; V11-L13 PolarHBondContact O-N 3.18Å
12	P	32.5	Very low	31.2	Very low	113 Å²	113	153.6 Å²	153.6	73%	0.734	81%	0.812	S	S	*	*			trans	-78.3	119.7	168.3	17.6	-4.3	0	0	0	108.1	W10 L14	W10-P12 WeakPolarHBondContact O-CD 3.47Å; P12-L14 PolarHBondContact O-N 3.38Å; P12-L14 VanDerWaalsContact O-N 3.13Å
13	L	30.1	Very low	30.9	Very low	154 Å²	154	154.8 Å²	154.8	81%	0.806	81%	0.812	S	S	*	*			trans	-57.1	113.7	164.3	-95.4	109.1	0	0	0	109.1	V11 C15	V11-L13 PolarHBondContact O-N 3.18Å; L13-C15 PolarHBondContact O-N 2.98Å
14	L	28.7	Very low	31.3	Very low	180 Å²	180	148 Å²	148	94%	0.942	80%	0.803	S	S	*	*			trans	-67.8	82.6	162.6	-88.8	141.7	0	0	0	109	P12 G16	P12-L14 PolarHBondContact O-N 3.38Å; P12-L14 VanDerWaalsContact O-N 3.13Å; L14-G16 PolarHBondContact O-N 2.61Å
15	C	33.3	Very low	32.2	Very low	100 Å²	100	144.1 Å²	144.1	68%	0.676	79%	0.794	S	S	*	*			trans	-80.9	110.1	160.2	-91.3	0	0	0	0	108.4	L13 H17	L13-C15 PolarHBondContact O-N 2.98Å; C15-H17 PolarHBondContact O-N 3.33Å; C15-H17 VanDerWaalsContact O-N 3.09Å
16	G	29.5	Very low	33.2	Very low	75 Å²	75	142.1 Å²	142.1	77%	0.773	80%	0.795	S	S	*	*			trans	-60.2	108.7	171.2	0	0	0	0	0	110.8	L14	L14-G16 PolarHBondContact O-N 2.61Å
17	H	33.5	Very low	35	Very low	175 Å²	175	140.3 Å²	140.3	81%	0.81	79%	0.789	S	S	*	*			trans	-107	103.5	156.4	-81.2	0.8	0	0	0	107.3	C15 A19	C15-H17 PolarHBondContact O-N 3.33Å; C15-H17 VanDerWaalsContact O-N 3.09Å; H17-A19 PolarHBondContact O-N 2.83Å
18	L	30.6	Very low	37.9	Very low	182 Å²	182	138 Å²	138	95%	0.953	77%	0.774	S	S	*	*			trans	-60.6	77.9	156	-86.9	144.4	0	0	0	107.4	L20	L18-L20 PolarHBondContact O-N 3Å
19	A	33.3	Very low	41	Very low	84 Å²	84	136.9 Å²	136.9	69%	0.694	76%	0.764	S	S	*	*			trans	-68.5	108.6	160.2	0	0	0	0	0	105.8	H17 Q21	H17-A19 PolarHBondContact O-N 2.83Å; A19-Q21 VanDerWaalsContact C-N 3.25Å; A19-Q21 PolarHBondContact O-N 3.16Å
20	L	31.2	Very low	44.2	Very low	166 Å²	166	129.5 Å²	129.5	87%	0.869	73%	0.725	S	S	*	*			trans	-50.9	97.6	158.6	-82.4	147	0	0	0	107	L18 K22	L18-L20 PolarHBondContact O-N 3Å; L20-K22 PolarHBondContact O-N 3.03Å
21	Q	30.3	Very low	47.4	Very low	178 Å²	178	121.9 Å²	121.9	83%	0.832	71%	0.706	S	S	*	*			trans	-58.2	95.4	155.8	-95.9	176.7	-29	0	0	104.9	A19 D23	A19-Q21 VanDerWaalsContact C-N 3.25Å; A19-Q21 PolarHBondContact O-N 3.16Å; Q21-D23 VanDerWaalsContact C-N 3.32Å; Q21-D23 PolarHBondContact O-N 2.9Å
22	K	33.9	Very low	50.7	Low	198 Å²	198	119.5 Å²	119.5	86%	0.861	69%	0.688	S	S	*	*			trans	-56.6	109.4	154.6	-86.5	-178.1	173.4	178.7	0	104.4	L20 A24	L20-K22 PolarHBondContact O-N 3.03Å; K22-A24 PolarHBondContact O-N 2.87Å
23	D	34.2	Very low	53.7	Low	148 Å²	148	114.4 Å²	114.4	79%	0.791	66%	0.655	S	S	*	*			trans	-42.8	118.3	166.8	-72.8	-45.8	0	0	0	107.3	Q21	Q21-D23 VanDerWaalsContact C-N 3.32Å; Q21-D23 PolarHBondContact O-N 2.9Å
24	A	41.9	Very low	56.9	Low	83 Å²	83	114 Å²	114	69%	0.686	64%	0.642	S	S	*	*			trans	-52.5	128.7	168.8	0	0	0	0	0	106.2	K22 T26	K22-A24 PolarHBondContact O-N 2.87Å; A24-T26 PolarHBondContact O-N 3.25Å
25	P	49.6	Very low	60.2	Low	112 Å²	112	105.7 Å²	105.7	73%	0.727	60%	0.599	S	S	*	*			trans	-52.1	121.1	-176.5	19.1	-29.4	0	0	0	107.8	A27	P25-A27 PolarHBondContact O-N 2.9Å
26	T	54.3	Low	63.2	Low	137 Å²	137	104.5 Å²	104.5	84%	0.84	59%	0.592	S	S	*	*			trans	-57.9	114.4	-175.4	-17.4	0	0	0	0	106.8	A24 Q28	A24-T26 PolarHBondContact O-N 3.25Å; T26-Q28 PolarHBondContact O-N 3.08Å
27	A	72.1	Confident	66.4	Low	70 Å²	70	104.2 Å²	104.2	58%	0.579	57%	0.572	S	S	*	*			trans	-53.7	115.5	-171.6	0	0	0	0	0	109.7	P25 V44	P25-A27 PolarHBondContact O-N 2.9Å; A27-V44 HydrophobicContact CB-CG2 3.57Å
28	Q	88.9	Confident	69.4	Low	125 Å²	125	97.4 Å²	97.4	58%	0.584	55%	0.55	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.1	121.6	-170.1	-174.3	171	-11.1	0	0	108.9	T26 E45	T26-Q28 PolarHBondContact O-N 3.08Å; Q28-E45 HydrophobicContact CB-CB 4.47Å; Q28-E45 PolarHBondContact O-N 3.43Å
29	L	93.8	Very high	72.7	Confident	85 Å²	85	88.7 Å²	88.7	45%	0.445	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	142.2	177	-66.6	175.4	0	0	0	111	R42 T88	L29-R42 HydrophobicContact CB-CG 4.21Å; L29-R42 HydrophobicContact CD2-CG 4.4Å; L29-T88 HydrophobicContact CD2-CG2 3.87Å
30	T	93.3	Very high	75.8	Confident	4 Å²	4	84.9 Å²	84.9	3%	0.025	47%	0.472	C	S	.	.	P	Polyproline II helix	trans	-73.3	155.1	176.9	66	0	0	0	0	111.9	R42 G43 E45 T55 F57 W132	T30-R42 WeakPolarHBondContact O-CG 3.46Å; T30-R42 PolarHBondContact O-NE 3.38Å; T30-G43 PolarHBondContact N-O 3.02Å; T30-G43 VanDerWaalsContact N-O 3.09Å; T30-G43 PolarHBondContact OG1-N 3.32Å; T30-E45 HydrophobicContact CG2-CG 4.19Å; T30-T55 HydrophobicContact CG2-CG2 3.43Å; T30-T55 VanDerWaalsContact CG2-CG2 3.43Å; T30-F57 HydrophobicContact CG2-CZ 4.5Å; T30-W132 HydrophobicContact CG2-CB 3.98Å; T30-W132 HydrophobicContact CG2-CG 4.27Å
31	P	93.3	Very high	78.9	Confident	71 Å²	71	77 Å²	77	46%	0.461	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-47.1	148.6	153.6	-27	30.8	0	0	0	111.8	V33	P31-V33 PolarHBondContact O-N 3.23Å
32	I	95.9	Very high	82.1	Confident	69 Å²	69	72.4 Å²	72.4	35%	0.354	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-62.6	125.7	179.3	-64.2	167.4	0	0	0	109.4	R34 P40 I41 V84	I32-R34 HydrophobicContact CG2-CG 4.47Å; I32-P40 HydrophobicContact CG2-CB 3.5Å; I32-I41 WeakPolarHBondContact CA-O 3.48Å; I32-V84 HydrophobicContact CD1-CG1 4.48Å; I32-V84 HydrophobicContact CD1-CG2 3.61Å; I32-V84 HydrophobicContact CG1-CG1 4.21Å; I32-V84 HydrophobicContact CG1-CG2 4.23Å
33	V	96	Very high	85.1	Confident	7 Å²	7	63 Å²	63	4%	0.042	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	132.4	166.9	-179.2	0	0	0	0	107.7	P31 I41 F57 W132 M216 F217	P31-V33 PolarHBondContact O-N 3.23Å; V33-I41 HydrophobicContact CB-CG1 3.95Å; V33-I41 PolarHBondContact N-O 2.93Å; V33-I41 PolarHBondContact O-N 2.83Å; V33-F57 HydrophobicContact CB-CE1 4.23Å; V33-F57 HydrophobicContact CG2-CE1 3.73Å; V33-F57 HydrophobicContact CG2-CZ 3.64Å; V33-W132 HydrophobicContact CG2-CH2 4.46Å; V33-W132 HydrophobicContact CG2-CZ2 3.55Å; V33-M216 HydrophobicContact CG1-CB 4.07Å; V33-F217 HydrophobicContact CG1-CE1 4.34Å; V33-F217 HydrophobicContact CG1-CZ 4.36Å
34	R	97.2	Very high	88.1	Confident	145 Å²	145	56.6 Å²	56.6	55%	0.547	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	127.5	173.3	-69.4	-171	178.2	-81.6	0.7	109.1	I32 G38 S39 M216	I32-R34 HydrophobicContact CG2-CG 4.47Å; R34-G38 PolarHBondContact NH1-O 3.35Å; R34-G38 VanDerWaalsContact NH1-O 3.07Å; R34-S39 WeakPolarHBondContact CA-O 3.26Å; R34-M216 VanDerWaalsContact O-CE 3.27Å; R34-M216 WeakPolarHBondContact O-CE 3.35Å; R34-M216 WeakPolarHBondContact O-CG 3.43Å
35	L	97.7	Very high	90.7	Very high	5 Å²	5	54 Å²	54	3%	0.026	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-68.7	168.6	171.4	-58.5	-173.4	0	0	0	110.7	N37 G38 S39 I41 W81 W209 N213 F217	L35-N37 PolarHBondContact O-N 3.23Å; L35-G38 WeakPolarHBondContact O-CA 3.45Å; L35-G38 PolarHBondContact O-N 2.98Å; L35-S39 PolarHBondContact N-O 3.29Å; L35-I41 HydrophobicContact CD1-CG2 4.31Å; L35-I41 HydrophobicContact CD2-CD1 4.05Å; L35-I41 HydrophobicContact CG-CG2 4.34Å; L35-W81 HydrophobicContact CD1-CH2 3.62Å; L35-W81 HydrophobicContact CD1-CZ2 3.87Å; L35-W209 HydrophobicContact CD1-CZ2 3.82Å; L35-W209 HydrophobicContact CD2-CH2 4.1Å; L35-W209 HydrophobicContact CD2-CZ2 3.66Å; L35-W209 HydrophobicContact CG-CZ2 4.41Å; L35-N213 WeakPolarHBondContact CB-OD1 3.38Å; L35-N213 HydrophobicContact CD2-CB 4.27Å; L35-F217 HydrophobicContact CD2-CE2 3.84Å; L35-F217 HydrophobicContact CD2-CZ 3.76Å
36	S	96.9	Very high	92.9	Very high	75 Å²	75	51 Å²	51	52%	0.524	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-31.9	-179.3	57.9	0	0	0	0	113.6	G38 Y212 N213	S36-G38 VanDerWaalsContact C-N 3.3Å; S36-G38 PolarHBondContact O-N 3.25Å; S36-Y212 WeakPolarHBondContact CB-O 3.38Å; S36-Y212 PolarHBondContact OG-O 2.99Å; S36-N213 WeakPolarHBondContact CB-OD1 3.16Å; S36-N213 PolarHBondContact N-OD1 3.41Å; S36-N213 PolarHBondContact OG-OD1 2.87Å
37	N	96.4	Very high	94.8	Very high	69 Å²	69	48.3 Å²	48.3	37%	0.369	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	4.4	176.2	69	-0.1	0	0	0	114	L35 S39 P80	L35-N37 PolarHBondContact O-N 3.23Å; N37-S39 WeakPolarHBondContact OD1-CB 3.28Å; N37-S39 PolarHBondContact OD1-N 2.94Å; N37-S39 PolarHBondContact OD1-OG 3.12Å; N37-P80 HydrophobicContact CB-CB 4.46Å; N37-P80 HydrophobicContact CB-CG 4.13Å
38	G	97.5	Very high	95.9	Very high	32 Å²	32	45.1 Å²	45.1	33%	0.33	24%	0.241	S	C	.	.	S	Bend	trans	89.5	-8.9	180	0	0	0	0	0	115.5	R34 L35 S36 P40	R34-G38 PolarHBondContact NH1-O 3.35Å; R34-G38 VanDerWaalsContact NH1-O 3.07Å; L35-G38 WeakPolarHBondContact O-CA 3.45Å; L35-G38 PolarHBondContact O-N 2.98Å; S36-G38 VanDerWaalsContact C-N 3.3Å; S36-G38 PolarHBondContact O-N 3.25Å; G38-P40 WeakPolarHBondContact O-CD 3.39Å
39	S	98.4	Very high	96.1	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.224	C	C	.	.			trans	-55.6	123.1	178.2	-80.2	0	0	0	0	111.7	R34 L35 N37 P80 W81	R34-S39 WeakPolarHBondContact CA-O 3.26Å; L35-S39 PolarHBondContact N-O 3.29Å; N37-S39 WeakPolarHBondContact OD1-CB 3.28Å; N37-S39 PolarHBondContact OD1-N 2.94Å; N37-S39 PolarHBondContact OD1-OG 3.12Å; S39-P80 WeakPolarHBondContact OG-CA 3.16Å; S39-W81 PolarHBondContact OG-N 2.91Å
40	P	98.2	Very high	95.9	Very high	4 Å²	4	38.8 Å²	38.8	3%	0.026	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	132.4	179.1	30.7	-29.7	0	0	0	111.7	I32 G38 W81 S82 V84 F85	I32-P40 HydrophobicContact CG2-CB 3.5Å; G38-P40 WeakPolarHBondContact O-CD 3.39Å; P40-W81 WeakPolarHBondContact CD-O 3.37Å; P40-W81 PolarHBondContact O-NE1 3.2Å; P40-S82 WeakPolarHBondContact CG-O 3.49Å; P40-V84 HydrophobicContact CB-CG2 4.21Å; P40-V84 HydrophobicContact CG-CG2 4.35Å; P40-F85 PolarHBondContact O-N 2.95Å
41	I	97.8	Very high	95.9	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	157.6	172.9	69.5	168.9	0	0	0	111.1	I32 V33 L35 F57 V60 W81 F85 F217	I32-I41 WeakPolarHBondContact CA-O 3.48Å; V33-I41 HydrophobicContact CB-CG1 3.95Å; V33-I41 PolarHBondContact N-O 2.93Å; V33-I41 PolarHBondContact O-N 2.83Å; L35-I41 HydrophobicContact CD1-CG2 4.31Å; L35-I41 HydrophobicContact CD2-CD1 4.05Å; L35-I41 HydrophobicContact CG-CG2 4.34Å; I41-F57 HydrophobicContact CD1-CD1 3.62Å; I41-F57 HydrophobicContact CD1-CE1 4.09Å; I41-F57 HydrophobicContact CD1-CG 4.37Å; I41-F57 HydrophobicContact CG1-CD1 4.16Å; I41-F57 HydrophobicContact CG1-CE1 4.3Å; I41-V60 HydrophobicContact CD1-CG2 4.35Å; I41-W81 HydrophobicContact CG2-CZ2 3.61Å; I41-F85 CarbonylContact C-O 3.54Å; I41-F85 WeakPolarHBondContact CA-O 3.4Å; I41-F85 HydrophobicContact CG2-CB 4.22Å; I41-F217 HydrophobicContact CD1-CE1 3.58Å; I41-F217 HydrophobicContact CD1-CZ 3.41Å; I41-F217 VanDerWaalsContact CD1-CZ 3.41Å
42	R	97.3	Very high	95.9	Very high	81 Å²	81	41.2 Å²	41.2	31%	0.306	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	127.4	176.2	179.2	173.1	-73.6	161	1	109.4	L29 T30 V84 F85 A87	L29-R42 HydrophobicContact CB-CG 4.21Å; L29-R42 HydrophobicContact CD2-CG 4.4Å; T30-R42 WeakPolarHBondContact O-CG 3.46Å; T30-R42 PolarHBondContact O-NE 3.38Å; R42-V84 HydrophobicContact CB-CG1 3.76Å; R42-F85 PolarHBondContact N-O 3.24Å; R42-A87 WeakPolarHBondContact O-CA 3.4Å; R42-A87 PolarHBondContact O-N 3.14Å
43	G	97.4	Very high	95.9	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.232	C	C	.	.			trans	-101.9	-163.1	175.7	0	0	0	0	0	111.4	T30 E56	T30-G43 PolarHBondContact N-O 3.02Å; T30-G43 VanDerWaalsContact N-O 3.09Å; T30-G43 PolarHBondContact OG1-N 3.32Å; G43-E56 CarbonylContact C-O 3.58Å; G43-E56 WeakPolarHBondContact CA-O 3.14Å
44	V	96.9	Very high	95.9	Very high	15 Å²	15	39.1 Å²	39.1	9%	0.091	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	137.4	-180	61.5	0	0	0	0	110.9	A27 E56 T88	A27-V44 HydrophobicContact CB-CG2 3.57Å; V44-E56 HydrophobicContact CG1-CB 4.1Å; V44-E56 PolarHBondContact N-O 2.98Å; V44-E56 PolarHBondContact O-N 2.97Å; V44-T88 HydrophobicContact CB-CG2 3.78Å; V44-T88 HydrophobicContact CG1-CG2 4.09Å
45	E	95.7	Very high	95.9	Very high	28 Å²	28	32.3 Å²	32.3	13%	0.131	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	133.5	168.3	-61.3	-168.2	154	0	0	109.9	Q28 T30 R131 W132	Q28-E45 HydrophobicContact CB-CB 4.47Å; Q28-E45 PolarHBondContact O-N 3.43Å; T30-E45 HydrophobicContact CG2-CG 4.19Å; E45-R131 WeakPolarHBondContact OE1-CB 3.27Å; E45-W132 PolarHBondContact OE1-N 3.11Å
46	T	95.5	Very high	95.9	Very high	49 Å²	49	32.8 Å²	32.8	30%	0.301	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	-174.7	-179.9	-167.8	0	0	0	0	110.3	V54 E56 K164	T46-V54 HydrophobicContact CG2-CB 4.17Å; T46-V54 PolarHBondContact N-O 3.09Å; T46-V54 PolarHBondContact O-N 3.28Å; T46-V54 VanDerWaalsContact O-O 3.09Å; T46-E56 HydrophobicContact CG2-CG 3.78Å; T46-K164 HydrophobicContact CG2-CD 3.79Å
47	V	95.2	Very high	96	Very high	80 Å²	80	29.2 Å²	29.2	49%	0.485	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	140.2	171	-66.9	0	0	0	0	109.9	Q52	V47-Q52 CarbonylContact C-O 3.43Å; V47-Q52 WeakPolarHBondContact CA-O 3.48Å
48	S	95.5	Very high	96.1	Very high	3 Å²	3	26.5 Å²	26.5	2%	0.021	17%	0.167	C	C	.	.			trans	-64.6	162.2	165.9	56.8	0	0	0	0	110.6	N50 G51 Q52 S168	S48-N50 VanDerWaalsContact CB-OD1 3.31Å; S48-N50 WeakPolarHBondContact CB-OD1 3.03Å; S48-N50 PolarHBondContact O-N 2.96Å; S48-N50 VanDerWaalsContact O-N 3.13Å; S48-N50 PolarHBondContact OG-OD1 3.02Å; S48-G51 PolarHBondContact O-N 2.92Å; S48-Q52 PolarHBondContact N-O 3Å; S48-Q52 WeakPolarHBondContact OG-CA 3.49Å; S48-Q52 WeakPolarHBondContact OG-CB 3.27Å; S48-Q52 PolarHBondContact OG-N 3.09Å; S48-Q52 PolarHBondContact OG-O 2.8Å; S48-S168 PolarHBondContact OG-OG 3.33Å
49	A	92.8	Very high	96.2	Very high	26 Å²	26	25.2 Å²	25.2	22%	0.215	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-19.2	179.9	0	0	0	0	0	114	G51 I165 N496 H498	A49-G51 VanDerWaalsContact C-N 3.32Å; A49-I165 HydrophobicContact CB-CD1 4.2Å; A49-N496 HydrophobicContact CB-CB 3.69Å; A49-N496 WeakPolarHBondContact CB-OD1 3.43Å; A49-H498 PolarHBondContact O-CD2 2.75Å
50	N	89.1	Confident	96.2	Very high	52 Å²	52	25.2 Å²	25.2	28%	0.278	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91	11	172.5	69.7	-11.5	0	0	0	113.2	S48 Q52 Q169	S48-N50 VanDerWaalsContact CB-OD1 3.31Å; S48-N50 WeakPolarHBondContact CB-OD1 3.03Å; S48-N50 PolarHBondContact O-N 2.96Å; S48-N50 VanDerWaalsContact O-N 3.13Å; S48-N50 PolarHBondContact OG-OD1 3.02Å; N50-Q52 PolarHBondContact ND2-OE1 3.38Å; N50-Q52 VanDerWaalsContact ND2-OE1 3.15Å; N50-Q169 PolarHBondContact ND2-OE1 3.01Å
51	G	92.7	Very high	96.2	Very high	59 Å²	59	25.3 Å²	25.3	61%	0.608	15%	0.154	S	C	*	.	S	Bend	trans	84	12.5	171.1	0	0	0	0	0	115.8	S48 A49	S48-G51 PolarHBondContact O-N 2.92Å; A49-G51 VanDerWaalsContact C-N 3.32Å
52	Q	94.6	Very high	96.3	Very high	66 Å²	66	25.4 Å²	25.4	31%	0.308	16%	0.155	S	C	.	.			trans	-90.5	143.6	177.9	-57.7	-178.8	-60.1	0	0	110.8	V47 S48 N50 S168	V47-Q52 CarbonylContact C-O 3.43Å; V47-Q52 WeakPolarHBondContact CA-O 3.48Å; S48-Q52 PolarHBondContact N-O 3Å; S48-Q52 WeakPolarHBondContact OG-CA 3.49Å; S48-Q52 WeakPolarHBondContact OG-CB 3.27Å; S48-Q52 PolarHBondContact OG-N 3.09Å; S48-Q52 PolarHBondContact OG-O 2.8Å; N50-Q52 PolarHBondContact ND2-OE1 3.38Å; N50-Q52 VanDerWaalsContact ND2-OE1 3.15Å; Q52-S168 VanDerWaalsContact OE1-C 3.23Å; Q52-S168 VanDerWaalsContact OE1-CB 3.3Å; Q52-S168 PolarHBondContact OE1-O 3.19Å; Q52-S168 PolarHBondContact OE1-OG 2.88Å
53	A	95.4	Very high	96.3	Very high	32 Å²	32	21.7 Å²	21.7	26%	0.264	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	137.8	178.1	0	0	0	0	0	111.1	G130 R131	A53-G130 WeakPolarHBondContact O-CA 3.41Å; A53-G130 PolarHBondContact O-N 2.85Å; A53-R131 HydrophobicContact CB-CG 4.05Å
54	V	96.7	Very high	96.4	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.006	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	143.3	175.3	-179.1	0	0	0	0	108.7	T46 E56 W127 G130 K164	T46-V54 HydrophobicContact CG2-CB 4.17Å; T46-V54 PolarHBondContact N-O 3.09Å; T46-V54 PolarHBondContact O-N 3.28Å; T46-V54 VanDerWaalsContact O-O 3.09Å; V54-E56 HydrophobicContact CG1-CG 4.26Å; V54-W127 HydrophobicContact CG1-CB 4.18Å; V54-G130 CarbonylContact C-O 3.54Å; V54-K164 HydrophobicContact CB-CG 4.31Å; V54-K164 HydrophobicContact CG1-CG 4.1Å; V54-K164 HydrophobicContact CG2-CB 4.27Å; V54-K164 HydrophobicContact CG2-CG 4.33Å
55	T	97.1	Very high	96.5	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.006	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	125.7	168.7	-57.1	0	0	0	0	109.3	T30 F57 V128 G130 W132	T30-T55 HydrophobicContact CG2-CG2 3.43Å; T30-T55 VanDerWaalsContact CG2-CG2 3.43Å; T55-F57 HydrophobicContact CG2-CD2 4.34Å; T55-F57 HydrophobicContact CG2-CE2 3.61Å; T55-F57 HydrophobicContact CG2-CZ 4.05Å; T55-V128 PolarHBondContact N-O 3.07Å; T55-V128 PolarHBondContact O-N 2.93Å; T55-G130 PolarHBondContact N-O 2.58Å; T55-G130 PolarHBondContact OG1-O 2.8Å; T55-W132 HydrophobicContact CG2-CB 4.03Å
56	E	97.9	Very high	96.6	Very high	15 Å²	15	23.4 Å²	23.4	7%	0.07	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	137.2	-178.7	-63.5	-178.2	143.3	0	0	111.1	G43 V44 T46 V54 L58 I126 W127 K164	G43-E56 CarbonylContact C-O 3.58Å; G43-E56 WeakPolarHBondContact CA-O 3.14Å; V44-E56 HydrophobicContact CG1-CB 4.1Å; V44-E56 PolarHBondContact N-O 2.98Å; V44-E56 PolarHBondContact O-N 2.97Å; T46-E56 HydrophobicContact CG2-CG 3.78Å; V54-E56 HydrophobicContact CG1-CG 4.26Å; E56-L58 HydrophobicContact CB-CD1 4.43Å; E56-L58 HydrophobicContact CB-CD2 4.04Å; E56-L58 HydrophobicContact CB-CG 3.99Å; E56-I126 CarbonylContact C-O 3.53Å; E56-I126 WeakPolarHBondContact CA-O 3.3Å; E56-W127 PolarHBondContact OE1-NE1 3.34Å; E56-K164 WeakPolarHBondContact OE1-CD 3.38Å; E56-K164 VanDerWaalsContact OE1-CG 3.23Å; E56-K164 WeakPolarHBondContact OE1-CG 3.49Å; E56-K164 IonicContact OE1-NZ 3.98Å; E56-K164 PolarHBondContact OE1-NZ 3.11Å
57	F	98.4	Very high	96.7	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	95.9	164.9	-58.8	-98.5	0	0	0	107.7	T30 V33 I41 T55 V60 A87 N125 I126 V128 F217	T30-F57 HydrophobicContact CG2-CZ 4.5Å; V33-F57 HydrophobicContact CB-CE1 4.23Å; V33-F57 HydrophobicContact CG2-CE1 3.73Å; V33-F57 HydrophobicContact CG2-CZ 3.64Å; I41-F57 HydrophobicContact CD1-CD1 3.62Å; I41-F57 HydrophobicContact CD1-CE1 4.09Å; I41-F57 HydrophobicContact CD1-CG 4.37Å; I41-F57 HydrophobicContact CG1-CD1 4.16Å; I41-F57 HydrophobicContact CG1-CE1 4.3Å; T55-F57 HydrophobicContact CG2-CD2 4.34Å; T55-F57 HydrophobicContact CG2-CE2 3.61Å; T55-F57 HydrophobicContact CG2-CZ 4.05Å; F57-V60 HydrophobicContact CB-CG2 3.98Å; F57-A87 CarbonylContact C-O 3.45Å; F57-A87 WeakPolarHBondContact CA-O 3.39Å; F57-A87 HydrophobicContact CB-CB 4.23Å; F57-N125 CarbonylContact O-C 3.6Å; F57-N125 WeakPolarHBondContact O-CA 3.49Å; F57-I126 HydrophobicContact CB-CB 4.21Å; F57-I126 PolarHBondContact N-O 2.87Å; F57-I126 PolarHBondContact O-N 3.12Å; F57-V128 HydrophobicContact CE2-CG2 4.4Å; F57-F217 HydrophobicContact CB-CE1 4.3Å; F57-F217 AromaticContact CD1-CE1 3.87Å; F57-F217 HydrophobicContact CD1-CE1 3.87Å; F57-F217 AromaticContact CD2-CD1 3.71Å; F57-F217 HydrophobicContact CD2-CD1 3.71Å; F57-F217 AromaticContact CD2-CE1 3.74Å; F57-F217 HydrophobicContact CD2-CE1 3.74Å; F57-F217 HydrophobicContact CE1-CE1 4.04Å; F57-F217 AromaticContact CE2-CD1 3.66Å; F57-F217 HydrophobicContact CE2-CD1 3.66Å; F57-F217 AromaticContact CE2-CE1 3.93Å; F57-F217 HydrophobicContact CE2-CE1 3.93Å; F57-F217 HydrophobicContact CG-CD1 4.18Å; F57-F217 AromaticContact CG-CE1 3.71Å; F57-F217 HydrophobicContact CG-CE1 3.71Å; F57-F217 HydrophobicContact CZ-CD1 4.09Å; F57-F217 HydrophobicContact CZ-CE1 4.08Å
58	L	98.7	Very high	96.7	Very high	13 Å²	13	23.2 Å²	23.2	7%	0.068	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	137.2	-172.1	-52.1	179.4	0	0	0	110.8	E56 A87 R89 M90 N125 W127	E56-L58 HydrophobicContact CB-CD1 4.43Å; E56-L58 HydrophobicContact CB-CD2 4.04Å; E56-L58 HydrophobicContact CB-CG 3.99Å; L58-A87 PolarHBondContact N-O 3.39Å; L58-A87 CarbonylContact O-C 3.49Å; L58-A87 WeakPolarHBondContact O-CA 3.48Å; L58-A87 WeakPolarHBondContact O-CB 3.45Å; L58-R89 CarbonylContact C-O 3.59Å; L58-R89 VanDerWaalsContact C-O 3.28Å; L58-R89 VanDerWaalsContact CB-O 3.31Å; L58-R89 WeakPolarHBondContact CB-O 3.43Å; L58-M90 HydrophobicContact CD1-CG 4.45Å; L58-M90 HydrophobicContact CD1-SD 4.42Å; L58-M90 HydrophobicContact CD2-CE 4.33Å; L58-M90 HydrophobicContact CD2-SD 4.23Å; L58-N125 HydrophobicContact CD2-CB 3.97Å; L58-W127 HydrophobicContact CD2-CZ2 3.94Å
59	G	98.6	Very high	96.8	Very high	4 Å²	4	26.6 Å²	26.6	4%	0.041	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	70.2	35.5	176.1	0	0	0	0	0	114.3	F85 F123 L124 N125	G59-F85 WeakPolarHBondContact O-CE1 3.4Å; G59-F85 WeakPolarHBondContact O-CZ 3.34Å; G59-F123 WeakPolarHBondContact O-CD1 3.49Å; G59-L124 PolarHBondContact N-O 3.21Å; G59-N125 PolarHBondContact N-OD1 3Å
60	V	98.8	Very high	97	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	123.1	176.7	-176.3	0	0	0	0	109.7	I41 F57 F62 A87 F123 L124 W209	I41-V60 HydrophobicContact CD1-CG2 4.35Å; F57-V60 HydrophobicContact CB-CG2 3.98Å; V60-F62 PolarHBondContact O-N 2.95Å; V60-A87 HydrophobicContact CG2-CB 3.78Å; V60-F123 CarbonylContact O-C 3.52Å; V60-F123 VanDerWaalsContact O-CA 3.3Å; V60-F123 WeakPolarHBondContact O-CA 3.49Å; V60-L124 HydrophobicContact CB-CD1 3.89Å; V60-L124 HydrophobicContact CB-CG 4.38Å; V60-L124 HydrophobicContact CG1-CD1 4.45Å; V60-L124 HydrophobicContact CG2-CD1 4.45Å; V60-L124 PolarHBondContact N-O 3.09Å; V60-L124 PolarHBondContact O-N 3.19Å; V60-W209 HydrophobicContact CG1-CH2 4.21Å; V60-W209 HydrophobicContact CG1-CZ2 3.6Å
61	P	98.6	Very high	97.4	Very high	6 Å²	6	27.3 Å²	27.3	4%	0.039	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	126.7	-179	27.3	-32.8	0	0	0	110.7	K78 W81 F85 F123	P61-K78 HydrophobicContact CB-CD 4.01Å; P61-K78 HydrophobicContact CB-CG 4.11Å; P61-K78 HydrophobicContact CG-CG 4.36Å; P61-W81 HydrophobicContact CG-CH2 3.88Å; P61-W81 HydrophobicContact CG-CZ2 4.34Å; P61-W81 HydrophobicContact CG-CZ3 4.15Å; P61-F85 HydrophobicContact CG-CD2 4.28Å; P61-F85 HydrophobicContact CG-CE2 4.11Å; P61-F85 HydrophobicContact CG-CZ 4.31Å; P61-F123 HydrophobicContact CB-CD1 3.89Å; P61-F123 HydrophobicContact CB-CE1 3.79Å; P61-F123 HydrophobicContact CG-CE1 4.48Å
62	F	98.8	Very high	97.7	Very high	2 Å²	2	24.6 Å²	24.6	1%	0.009	15%	0.145	C	C	.	.			trans	-107.1	-22.6	176.2	70.6	-98.4	0	0	0	113	V60 K78 L122 F123 L124 M177 N178 D202 E205 A206 W209	V60-F62 PolarHBondContact O-N 2.95Å; F62-K78 PolarHBondContact O-N 2.98Å; F62-K78 VanDerWaalsContact O-N 3.14Å; F62-L122 VanDerWaalsContact CD1-O 3.31Å; F62-L122 WeakPolarHBondContact CD1-O 3.35Å; F62-L122 HydrophobicContact CE1-CB 4.06Å; F62-L122 WeakPolarHBondContact CE1-O 3.23Å; F62-L122 HydrophobicContact CE2-CB 4.23Å; F62-L122 HydrophobicContact CZ-CB 3.82Å; F62-L122 HydrophobicContact CZ-CD2 4.05Å; F62-L122 HydrophobicContact CZ-CG 4.42Å; F62-L122 PolarHBondContact N-O 2.8Å; F62-F123 WeakPolarHBondContact CE1-O 3.25Å; F62-L124 HydrophobicContact CB-CD2 3.78Å; F62-L124 HydrophobicContact CB-CG 4.43Å; F62-L124 HydrophobicContact CD1-CB 4.19Å; F62-L124 HydrophobicContact CD1-CD2 4.05Å; F62-L124 HydrophobicContact CD1-CG 4.24Å; F62-L124 HydrophobicContact CG-CD2 4.2Å; F62-M177 HydrophobicContact CE1-CB 4.32Å; F62-N178 WeakPolarHBondContact CE1-O 3.45Å; F62-N178 WeakPolarHBondContact CZ-O 3.3Å; F62-D202 VanDerWaalsContact CE2-O 3.23Å; F62-D202 WeakPolarHBondContact CE2-O 3.29Å; F62-D202 HydrophobicContact CZ-CB 4.45Å; F62-E205 HydrophobicContact CD2-CB 4.13Å; F62-E205 HydrophobicContact CD2-CG 4.04Å; F62-E205 HydrophobicContact CE2-CB 4.12Å; F62-E205 HydrophobicContact CE2-CG 4.43Å; F62-A206 HydrophobicContact CD1-CB 4.26Å; F62-A206 HydrophobicContact CD2-CB 4.07Å; F62-A206 HydrophobicContact CE1-CB 4.19Å; F62-A206 HydrophobicContact CE2-CB 4.02Å; F62-A206 HydrophobicContact CG-CB 4.2Å; F62-A206 HydrophobicContact CZ-CB 4.07Å; F62-W209 HydrophobicContact CB-CB 3.98Å; F62-W209 HydrophobicContact CB-CG 3.82Å
63	A	98.8	Very high	97.9	Very high	3 Å²	3	25.6 Å²	25.6	3%	0.025	15%	0.146	C	C	.	.	B	Isolated β-bridge	trans	-132.3	163.2	176.8	0	0	0	0	0	111.9	P75 K76 K78 L122 E205	A63-P75 HydrophobicContact CB-CB 4Å; A63-K76 CarbonylContact C-O 3.56Å; A63-K76 WeakPolarHBondContact CA-O 3.32Å; A63-K76 VanDerWaalsContact CB-O 3.28Å; A63-K76 WeakPolarHBondContact CB-O 3.23Å; A63-K78 WeakPolarHBondContact O-CD 3.44Å; A63-L122 HydrophobicContact CB-CB 3.95Å; A63-L122 HydrophobicContact CB-CD1 3.63Å; A63-L122 HydrophobicContact CB-CG 4.45Å; A63-E205 HydrophobicContact CB-CG 4.39Å
64	E	98.7	Very high	98.1	Very high	51 Å²	51	26.7 Å²	26.7	24%	0.238	15%	0.151	C	C	.	.			trans	-65.6	147.6	167.5	-69	-56.3	154.1	0	0	111.3	P66 K76 K78 A79	E64-P66 WeakPolarHBondContact O-CD 3.31Å; E64-K76 HydrophobicContact CB-CB 4.28Å; E64-K76 HydrophobicContact CG-CB 4.32Å; E64-K76 PolarHBondContact N-O 3.47Å; E64-K78 IonicContact OE1-NZ 3.53Å; E64-K78 IonicContact OE2-NZ 2.61Å; E64-K78 PolarHBondContact OE2-NZ 3.23Å; E64-A79 WeakPolarHBondContact OE1-CB 3.28Å; E64-A79 PolarHBondContact OE1-N 2.87Å
65	P	98.6	Very high	98.2	Very high	24 Å²	24	27.6 Å²	27.6	16%	0.156	16%	0.157	C	C	.	.			trans	-55.3	124.4	178.4	-24.8	33.7	0	0	0	111.1	I67 D120	P65-I67 HydrophobicContact CB-CD1 4.17Å; P65-I67 HydrophobicContact CB-CG1 4.11Å; P65-I67 HydrophobicContact CB-CG2 4.14Å; P65-I67 PolarHBondContact O-N 3.48Å; P65-D120 HydrophobicContact CB-CB 4.03Å; P65-D120 WeakPolarHBondContact CB-OD1 3.17Å; P65-D120 WeakPolarHBondContact CG-OD1 3.47Å
66	P	98.3	Very high	98.2	Very high	5 Å²	5	32.8 Å²	32.8	3%	0.032	18%	0.179	C	C	.	.			trans	-80.4	46.6	-177.5	34.6	-37.7	0	0	0	112.1	E64 F70 R71 E119 L122 R180	E64-P66 WeakPolarHBondContact O-CD 3.31Å; P66-F70 CarbonylContact O-C 3.57Å; P66-R71 VanDerWaalsContact O-CA 3.26Å; P66-R71 WeakPolarHBondContact O-CA 3.45Å; P66-R71 PolarHBondContact O-N 3.29Å; P66-E119 VanDerWaalsContact CD-O 3.29Å; P66-E119 WeakPolarHBondContact CD-O 3.49Å; P66-E119 VanDerWaalsContact CG-O 3.26Å; P66-E119 WeakPolarHBondContact CG-O 3.24Å; P66-L122 HydrophobicContact CB-CD1 4.23Å; P66-L122 HydrophobicContact CG-CD1 3.82Å; P66-L122 HydrophobicContact CG-CG 3.94Å; P66-R180 HydrophobicContact CG-CG 4.36Å
67	I	97.6	Very high	98.3	Very high	80 Å²	80	36 Å²	36	41%	0.41	20%	0.202	S	C	.	.			trans	-98.2	159.3	-173.6	64	179.3	0	0	0	112.5	P65 S69 F70 E119	P65-I67 HydrophobicContact CB-CD1 4.17Å; P65-I67 HydrophobicContact CB-CG1 4.11Å; P65-I67 HydrophobicContact CB-CG2 4.14Å; P65-I67 PolarHBondContact O-N 3.48Å; I67-S69 PolarHBondContact O-N 2.84Å; I67-F70 WeakPolarHBondContact O-CB 3.24Å; I67-F70 PolarHBondContact O-N 3.09Å; I67-E119 HydrophobicContact CG2-CB 3.7Å
68	G	95.8	Very high	98.2	Very high	44 Å²	44	38.8 Å²	38.8	45%	0.454	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	57.3	-122.2	176.2	0	0	0	0	0	111.3	F70 R71	G68-F70 PolarHBondContact O-N 3.16Å; G68-F70 VanDerWaalsContact O-N 3.15Å; G68-R71 VanDerWaalsContact O-CB 3.28Å; G68-R71 WeakPolarHBondContact O-CB 3.27Å; G68-R71 PolarHBondContact O-N 3.42Å; G68-R71 VanDerWaalsContact O-N 3.1Å
69	S	96.1	Very high	98.2	Very high	75 Å²	75	40.6 Å²	40.6	52%	0.524	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-66	-13	179	59.1	0	0	0	0	114.6	I67 R73	I67-S69 PolarHBondContact O-N 2.84Å; S69-R73 VanDerWaalsContact O-CD 3.23Å; S69-R73 WeakPolarHBondContact O-CD 3.49Å; S69-R73 PolarHBondContact O-NE 2.85Å
70	F	97.7	Very high	98.2	Very high	71 Å²	71	44.8 Å²	44.8	31%	0.311	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-89.2	-9.1	175	-64	-61.6	0	0	0	113.6	P66 I67 G68 F72 R73 K76	P66-F70 CarbonylContact O-C 3.57Å; I67-F70 WeakPolarHBondContact O-CB 3.24Å; I67-F70 PolarHBondContact O-N 3.09Å; G68-F70 PolarHBondContact O-N 3.16Å; G68-F70 VanDerWaalsContact O-N 3.15Å; F70-F72 PolarHBondContact O-N 3.14Å; F70-R73 WeakPolarHBondContact O-CB 3.46Å; F70-R73 PolarHBondContact O-N 3.27Å; F70-R73 VanDerWaalsContact O-N 3.11Å; F70-K76 HydrophobicContact CD1-CD 4.38Å; F70-K76 HydrophobicContact CE1-CD 3.76Å; F70-K76 VanDerWaalsContact CE1-CE 3.43Å; F70-K76 VanDerWaalsContact CE1-NZ 3.34Å; F70-K76 HydrophobicContact CZ-CD 4.18Å
71	R	98.3	Very high	98.1	Very high	21 Å²	21	47 Å²	47	8%	0.079	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	137.6	172.3	-173	-169.8	-70.7	179	-6	109.3	P66 G68 R73 E119 F184 L302 L303 V305	P66-R71 VanDerWaalsContact O-CA 3.26Å; P66-R71 WeakPolarHBondContact O-CA 3.45Å; P66-R71 PolarHBondContact O-N 3.29Å; G68-R71 VanDerWaalsContact O-CB 3.28Å; G68-R71 WeakPolarHBondContact O-CB 3.27Å; G68-R71 PolarHBondContact O-N 3.42Å; G68-R71 VanDerWaalsContact O-N 3.1Å; R71-R73 PolarHBondContact O-N 3.02Å; R71-R73 VanDerWaalsContact O-N 3.09Å; R71-E119 IonicContact CZ-OE1 3.88Å; R71-E119 IonicContact CZ-OE2 3.98Å; R71-E119 IonicContact NE-OE1 2.69Å; R71-E119 PolarHBondContact NE-OE1 3.37Å; R71-E119 IonicContact NE-OE2 3.22Å; R71-E119 VanDerWaalsContact NH2-CD 3.27Å; R71-E119 IonicContact NH2-OE1 2.88Å; R71-E119 PolarHBondContact NH2-OE1 2.86Å; R71-E119 IonicContact NH2-OE2 3.78Å; R71-E119 PolarHBondContact NH2-OE2 2.96Å; R71-F184 HydrophobicContact CG-CD1 4.17Å; R71-L302 PolarHBondContact NH1-O 2.75Å; R71-L303 HydrophobicContact CB-CD2 3.82Å; R71-V305 PolarHBondContact NH1-O 2.69Å
72	F	98.6	Very high	98.1	Very high	2 Å²	2	52 Å²	52	1%	0.009	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.1	-3.1	-175.9	-42.9	-58.4	0	0	0	116.7	F70 L183 F184 L187 E193 A194 V198 I299 L302 L303 L310	F70-F72 PolarHBondContact O-N 3.14Å; F72-L183 WeakPolarHBondContact CD1-O 3.48Å; F72-L183 HydrophobicContact CE1-CD1 3.79Å; F72-L183 HydrophobicContact CE1-CG 4.41Å; F72-L183 WeakPolarHBondContact CE1-O 3.3Å; F72-L183 HydrophobicContact CZ-CD1 3.94Å; F72-F184 HydrophobicContact CE1-CD1 4.1Å; F72-L187 HydrophobicContact CB-CD2 4.48Å; F72-L187 HydrophobicContact CD1-CB 4.08Å; F72-L187 HydrophobicContact CD1-CD2 3.87Å; F72-L187 HydrophobicContact CD2-CD2 4.06Å; F72-L187 HydrophobicContact CE1-CD2 4.04Å; F72-L187 HydrophobicContact CE2-CD2 4.19Å; F72-L187 HydrophobicContact CG-CD2 3.87Å; F72-L187 HydrophobicContact CZ-CD2 4.18Å; F72-E193 CarbonylContact C-O 3.45Å; F72-A194 HydrophobicContact CB-CB 4.2Å; F72-V198 VanDerWaalsContact O-CG1 3.3Å; F72-V198 WeakPolarHBondContact O-CG1 3.33Å; F72-I299 HydrophobicContact CB-CD1 4.4Å; F72-I299 HydrophobicContact CD2-CD1 3.51Å; F72-I299 HydrophobicContact CE2-CD1 4.15Å; F72-I299 HydrophobicContact CG-CD1 4.26Å; F72-L302 HydrophobicContact CE2-CB 4.08Å; F72-L303 HydrophobicContact CD2-CD2 3.86Å; F72-L303 HydrophobicContact CE2-CD2 4.21Å; F72-L310 HydrophobicContact CZ-CD1 4.27Å
73	R	98.5	Very high	98.1	Very high	87 Å²	87	59.7 Å²	59.7	33%	0.328	34%	0.336	S	S	.	.	S	Bend	trans	-92.4	158.1	179.2	-63.3	-169.3	-174.7	-144	2.1	112.2	S69 F70 R71 R180 E193	S69-R73 VanDerWaalsContact O-CD 3.23Å; S69-R73 WeakPolarHBondContact O-CD 3.49Å; S69-R73 PolarHBondContact O-NE 2.85Å; F70-R73 WeakPolarHBondContact O-CB 3.46Å; F70-R73 PolarHBondContact O-N 3.27Å; F70-R73 VanDerWaalsContact O-N 3.11Å; R71-R73 PolarHBondContact O-N 3.02Å; R71-R73 VanDerWaalsContact O-N 3.09Å; R73-R180 VanDerWaalsContact O-CZ 3.27Å; R73-R180 PolarHBondContact O-NH1 2.92Å; R73-R180 PolarHBondContact O-NH2 2.97Å; R73-E193 WeakPolarHBondContact CG-O 3.45Å
74	P	98.7	Very high	98	Very high	56 Å²	56	62.5 Å²	62.5	36%	0.364	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-50.6	143.7	170.3	-29.6	37.1	0	0	0	112.5	P195 V198 L201	P74-P195 HydrophobicContact CG-CG 4.21Å; P74-V198 HydrophobicContact CG-CG1 4.37Å; P74-L201 HydrophobicContact CB-CD1 3.87Å; P74-L201 HydrophobicContact CG-CD1 3.88Å
75	P	98.7	Very high	98	Very high	19 Å²	19	63.2 Å²	63.2	12%	0.123	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-61.5	150.6	177.7	28.9	-36.3	0	0	0	110.8	A63 L122 L201 D202 E205	A63-P75 HydrophobicContact CB-CB 4Å; P75-L122 HydrophobicContact CB-CD1 4.13Å; P75-L201 HydrophobicContact CG-CB 4.14Å; P75-L201 WeakPolarHBondContact CG-O 3.34Å; P75-D202 WeakPolarHBondContact CB-OD1 3.2Å; P75-D202 WeakPolarHBondContact CD-OD1 3.44Å; P75-D202 WeakPolarHBondContact CG-OD1 3.3Å; P75-E205 HydrophobicContact CB-CB 4.41Å; P75-E205 HydrophobicContact CG-CB 3.97Å
76	K	98.5	Very high	98	Very high	111 Å²	111	66.5 Å²	66.5	48%	0.483	37%	0.371	S	S	.	.			trans	-105.1	135.7	168	-71.9	-173.7	172.7	-175.3	0	109.1	A63 E64 F70 K78	A63-K76 CarbonylContact C-O 3.56Å; A63-K76 WeakPolarHBondContact CA-O 3.32Å; A63-K76 VanDerWaalsContact CB-O 3.28Å; A63-K76 WeakPolarHBondContact CB-O 3.23Å; E64-K76 HydrophobicContact CB-CB 4.28Å; E64-K76 HydrophobicContact CG-CB 4.32Å; E64-K76 PolarHBondContact N-O 3.47Å; F70-K76 HydrophobicContact CD1-CD 4.38Å; F70-K76 HydrophobicContact CE1-CD 3.76Å; F70-K76 VanDerWaalsContact CE1-CE 3.43Å; F70-K76 VanDerWaalsContact CE1-NZ 3.34Å; F70-K76 HydrophobicContact CZ-CD 4.18Å; K76-K78 PolarHBondContact O-N 3.08Å
77	P	98.5	Very high	97.9	Very high	83 Å²	83	66.2 Å²	66.2	54%	0.539	37%	0.37	S	S	.	.	B	Isolated β-bridge	trans	-53.3	140.7	174.2	-21.6	28.6	0	0	0	111.1	A79 E205	P77-A79 PolarHBondContact O-N 2.95Å; P77-E205 WeakPolarHBondContact CA-OE1 3.34Å; P77-E205 VanDerWaalsContact CB-OE1 3.26Å; P77-E205 WeakPolarHBondContact CB-OE1 3.36Å; P77-E205 VanDerWaalsContact CG-OE1 3.28Å; P77-E205 WeakPolarHBondContact CG-OE1 3.39Å
78	K	98.3	Very high	98	Very high	58 Å²	58	64 Å²	64	25%	0.252	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-63	127.4	179.3	-170.7	68.7	-172.5	171.9	0	110.8	P61 F62 A63 E64 K76 W81	P61-K78 HydrophobicContact CB-CD 4.01Å; P61-K78 HydrophobicContact CB-CG 4.11Å; P61-K78 HydrophobicContact CG-CG 4.36Å; F62-K78 PolarHBondContact O-N 2.98Å; F62-K78 VanDerWaalsContact O-N 3.14Å; A63-K78 WeakPolarHBondContact O-CD 3.44Å; E64-K78 IonicContact OE1-NZ 3.53Å; E64-K78 IonicContact OE2-NZ 2.61Å; E64-K78 PolarHBondContact OE2-NZ 3.23Å; K76-K78 PolarHBondContact O-N 3.08Å; K78-W81 HydrophobicContact CB-CZ3 4.25Å; K78-W81 HydrophobicContact CG-CE3 3.89Å; K78-W81 HydrophobicContact CG-CZ3 3.46Å; K78-W81 VanDerWaalsContact CG-CZ3 3.46Å
79	A	97.9	Very high	98	Very high	51 Å²	51	71.4 Å²	71.4	42%	0.421	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-63.9	145.6	175.5	0	0	0	0	0	110.7	E64 P77 W81	E64-A79 WeakPolarHBondContact OE1-CB 3.28Å; E64-A79 PolarHBondContact OE1-N 2.87Å; P77-A79 PolarHBondContact O-N 2.95Å; A79-W81 VanDerWaalsContact O-CE3 3.31Å
80	P	98.2	Very high	98.1	Very high	91 Å²	91	70.9 Å²	70.9	59%	0.591	36%	0.364	S	S	*	.	P	Polyproline II helix	trans	-57.5	145.1	175.6	-21.7	32	0	0	0	111.9	N37 S39	N37-P80 HydrophobicContact CB-CB 4.46Å; N37-P80 HydrophobicContact CB-CG 4.13Å; S39-P80 WeakPolarHBondContact OG-CA 3.16Å
81	W	97.9	Very high	98.1	Very high	48 Å²	48	68 Å²	68	18%	0.182	35%	0.352	C	S	.	.			trans	-126.3	154.6	179.1	61.1	80.6	0	0	0	111.3	L35 S39 P40 I41 P61 K78 A79 F85	L35-W81 HydrophobicContact CD1-CH2 3.62Å; L35-W81 HydrophobicContact CD1-CZ2 3.87Å; S39-W81 PolarHBondContact OG-N 2.91Å; P40-W81 WeakPolarHBondContact CD-O 3.37Å; P40-W81 PolarHBondContact O-NE1 3.2Å; I41-W81 HydrophobicContact CG2-CZ2 3.61Å; P61-W81 HydrophobicContact CG-CH2 3.88Å; P61-W81 HydrophobicContact CG-CZ2 4.34Å; P61-W81 HydrophobicContact CG-CZ3 4.15Å; K78-W81 HydrophobicContact CB-CZ3 4.25Å; K78-W81 HydrophobicContact CG-CE3 3.89Å; K78-W81 HydrophobicContact CG-CZ3 3.46Å; K78-W81 VanDerWaalsContact CG-CZ3 3.46Å; A79-W81 VanDerWaalsContact O-CE3 3.31Å; W81-F85 HydrophobicContact CZ2-CB 4.3Å
82	S	97.8	Very high	98.2	Very high	111 Å²	111	68.4 Å²	68.4	78%	0.776	36%	0.358	S	S	*	.	S	Bend	trans	-103.1	-27.3	-177.8	57.4	0	0	0	0	113.7	P40	P40-S82 WeakPolarHBondContact CG-O 3.49Å
83	Q	97.7	Very high	98.2	Very high	162 Å²	162	68.3 Å²	68.3	76%	0.757	36%	0.358	S	S	*	.	S	Bend	trans	-79	140.9	178.6	-65	-173.4	-5	0	0	110.9	F85	Q83-F85 PolarHBondContact O-N 3.36Å; Q83-F85 VanDerWaalsContact O-N 3.09Å
84	V	98	Very high	98.2	Very high	62 Å²	62	64.2 Å²	64.2	38%	0.376	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-63.5	116.4	179.2	-176.2	0	0	0	0	109.9	I32 P40 R42	I32-V84 HydrophobicContact CD1-CG1 4.48Å; I32-V84 HydrophobicContact CD1-CG2 3.61Å; I32-V84 HydrophobicContact CG1-CG1 4.21Å; I32-V84 HydrophobicContact CG1-CG2 4.23Å; P40-V84 HydrophobicContact CB-CG2 4.21Å; P40-V84 HydrophobicContact CG-CG2 4.35Å; R42-V84 HydrophobicContact CB-CG1 3.76Å
85	F	98	Very high	98.2	Very high	66 Å²	66	61.7 Å²	61.7	29%	0.289	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	124.9	173.8	-173.6	-86.5	0	0	0	109.9	P40 I41 R42 G59 P61 W81 Q83 A87 F123	P40-F85 PolarHBondContact O-N 2.95Å; I41-F85 CarbonylContact C-O 3.54Å; I41-F85 WeakPolarHBondContact CA-O 3.4Å; I41-F85 HydrophobicContact CG2-CB 4.22Å; R42-F85 PolarHBondContact N-O 3.24Å; G59-F85 WeakPolarHBondContact O-CE1 3.4Å; G59-F85 WeakPolarHBondContact O-CZ 3.34Å; P61-F85 HydrophobicContact CG-CD2 4.28Å; P61-F85 HydrophobicContact CG-CE2 4.11Å; P61-F85 HydrophobicContact CG-CZ 4.31Å; W81-F85 HydrophobicContact CZ2-CB 4.3Å; Q83-F85 PolarHBondContact O-N 3.36Å; Q83-F85 VanDerWaalsContact O-N 3.09Å; F85-A87 HydrophobicContact CD1-CB 4.04Å; F85-A87 HydrophobicContact CE1-CB 4.16Å; F85-A87 PolarHBondContact O-N 3.4Å; F85-F123 HydrophobicContact CZ-CE1 4.36Å
86	N	97.8	Very high	98.2	Very high	93 Å²	93	61 Å²	61	50%	0.497	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	88.9	-178	-171.3	18.8	0	0	0	110.5	T88	N86-T88 VanDerWaalsContact C-N 3.26Å; N86-T88 VanDerWaalsContact CG-OG1 3.27Å; N86-T88 PolarHBondContact ND2-OG1 3.21Å; N86-T88 PolarHBondContact O-N 2.91Å; N86-T88 WeakPolarHBondContact OD1-CG2 3.38Å; N86-T88 PolarHBondContact OD1-OG1 2.95Å
87	A	98.2	Very high	98	Very high	0 Å²	0	57 Å²	57	0%	0	31%	0.308	C	S	.	.			trans	-84.9	60.3	-177.3	0	0	0	0	0	111.6	R42 F57 L58 V60 F85	R42-A87 WeakPolarHBondContact O-CA 3.4Å; R42-A87 PolarHBondContact O-N 3.14Å; F57-A87 CarbonylContact C-O 3.45Å; F57-A87 WeakPolarHBondContact CA-O 3.39Å; F57-A87 HydrophobicContact CB-CB 4.23Å; L58-A87 PolarHBondContact N-O 3.39Å; L58-A87 CarbonylContact O-C 3.49Å; L58-A87 WeakPolarHBondContact O-CA 3.48Å; L58-A87 WeakPolarHBondContact O-CB 3.45Å; V60-A87 HydrophobicContact CG2-CB 3.78Å; F85-A87 HydrophobicContact CD1-CB 4.04Å; F85-A87 HydrophobicContact CE1-CB 4.16Å; F85-A87 PolarHBondContact O-N 3.4Å
88	T	97.8	Very high	97.8	Very high	32 Å²	32	59.1 Å²	59.1	20%	0.196	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-123.3	8.2	-172.9	54.8	0	0	0	0	113.6	L29 V44 N86	L29-T88 HydrophobicContact CD2-CG2 3.87Å; V44-T88 HydrophobicContact CB-CG2 3.78Å; V44-T88 HydrophobicContact CG1-CG2 4.09Å; N86-T88 VanDerWaalsContact C-N 3.26Å; N86-T88 VanDerWaalsContact CG-OG1 3.27Å; N86-T88 PolarHBondContact ND2-OG1 3.21Å; N86-T88 PolarHBondContact O-N 2.91Å; N86-T88 WeakPolarHBondContact OD1-CG2 3.38Å; N86-T88 PolarHBondContact OD1-OG1 2.95Å
89	R	97.5	Very high	97.7	Very high	201 Å²	201	57.7 Å²	57.7	76%	0.758	30%	0.3	S	S	*	.	S	Bend	trans	-137.5	143.9	-179.6	-63	-175.1	179.9	-136.2	-1.3	110.4	L58	L58-R89 CarbonylContact C-O 3.59Å; L58-R89 VanDerWaalsContact C-O 3.28Å; L58-R89 VanDerWaalsContact CB-O 3.31Å; L58-R89 WeakPolarHBondContact CB-O 3.43Å
90	M	98.1	Very high	97.5	Very high	63 Å²	63	59.3 Å²	59.3	31%	0.31	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-58	141	171.8	-74.5	-62.6	-165.2	0	0	110.7	L58 T115 W127	L58-M90 HydrophobicContact CD1-CG 4.45Å; L58-M90 HydrophobicContact CD1-SD 4.42Å; L58-M90 HydrophobicContact CD2-CE 4.33Å; L58-M90 HydrophobicContact CD2-SD 4.23Å; M90-T115 HydrophobicContact CB-CG2 4.09Å; M90-W127 HydrophobicContact CE-CH2 4.15Å; M90-W127 HydrophobicContact CE-CZ2 3.72Å
91	P	98	Very high	97.3	Very high	10 Å²	10	57.9 Å²	57.9	7%	0.065	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-73.8	167.4	-179.4	31.4	-35.4	0	0	0	112.1	T115 F123 N125	P91-T115 WeakPolarHBondContact O-CB 3.27Å; P91-T115 WeakPolarHBondContact O-CG2 3.14Å; P91-T115 PolarHBondContact O-OG1 2.82Å; P91-F123 HydrophobicContact CB-CB 3.47Å; P91-F123 VanDerWaalsContact CB-CB 3.47Å; P91-F123 HydrophobicContact CB-CD2 3.51Å; P91-F123 HydrophobicContact CB-CE2 4.42Å; P91-F123 HydrophobicContact CB-CG 3.62Å; P91-F123 HydrophobicContact CG-CB 3.81Å; P91-F123 HydrophobicContact CG-CG 4.49Å; P91-N125 VanDerWaalsContact CD-OD1 3.3Å; P91-N125 WeakPolarHBondContact CD-OD1 3.38Å
92	S	98.6	Very high	97	Very high	30 Å²	30	55.7 Å²	55.7	21%	0.21	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-60.4	141.5	165.2	-85.4	0	0	0	0	111.3	P116 N178	S92-P116 VanDerWaalsContact CA-O 3.3Å; S92-P116 WeakPolarHBondContact CA-O 2.96Å; S92-P116 WeakPolarHBondContact CB-O 2.97Å; S92-P116 PolarHBondContact OG-O 2.74Å; S92-P116 VanDerWaalsContact OG-O 3.05Å; S92-N178 PolarHBondContact O-ND2 3.14Å
93	S	98.8	Very high	96.8	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-76.6	146	172.2	-64.4	0	0	0	0	109.5	T115 P116 L117 N118 T155	S93-T115 PolarHBondContact N-OG1 3.37Å; S93-T115 PolarHBondContact OG-OG1 3.36Å; S93-P116 PolarHBondContact N-O 2.6Å; S93-P116 VanDerWaalsContact N-O 3.13Å; S93-L117 WeakPolarHBondContact O-CA 3.48Å; S93-N118 PolarHBondContact O-N 3.03Å; S93-T155 VanDerWaalsContact OG-CB 3.28Å; S93-T155 WeakPolarHBondContact OG-CB 3.31Å; S93-T155 WeakPolarHBondContact OG-CG2 3.28Å; S93-T155 PolarHBondContact OG-OG1 2.94Å
94	C	98.9	Very high	96.6	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.007	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-64.2	151.7	175.6	-63.2	0	0	0	0	110.9	Q96 C121 Y179 V181	C94-Q96 WeakPolarHBondContact O-CG 3.45Å; C94-Q96 PolarHBondContact O-N 2.8Å; C94-Q96 PolarHBondContact O-NE2 2.73Å; C94-C121 WeakPolarHBondContact CA-SG 3.32Å; C94-C121 HydrophobicContact CB-CB 3.85Å; C94-C121 WeakPolarHBondContact CB-SG 3.41Å; C94-C121 WeakPolarHBondContact SG-CB 3.47Å; C94-C121 CovalentContact SG-SG 2.04Å; C94-C121 PolarHBondContact SG-SG 3.47Å; C94-Y179 PolarHBondContact SG-O 2.85Å; C94-Y179 VanDerWaalsContact SG-O 3.37Å; C94-V181 HydrophobicContact CB-CG2 4.39Å
95	P	98.7	Very high	96.5	Very high	3 Å²	3	51.4 Å²	51.4	2%	0.019	26%	0.26	C	S	.	.	S	Bend	trans	-59.1	129	179	-20.6	33.5	0	0	0	111.1	N118 E119 F184 V307 L311	P95-N118 WeakPolarHBondContact CD-O 3.48Å; P95-E119 HydrophobicContact CG-CB 4.39Å; P95-E119 HydrophobicContact CG-CG 3.66Å; P95-F184 HydrophobicContact CB-CD2 3.99Å; P95-F184 HydrophobicContact CB-CE2 3.71Å; P95-F184 HydrophobicContact CB-CZ 4.11Å; P95-F184 HydrophobicContact CG-CE2 4.48Å; P95-V307 HydrophobicContact CB-CG1 3.57Å; P95-V307 HydrophobicContact CG-CG1 4.11Å; P95-L311 HydrophobicContact CB-CD1 4.3Å
96	Q	98.3	Very high	96.3	Very high	6 Å²	6	53.9 Å²	53.9	3%	0.028	27%	0.272	C	S	.	.			trans	-160	156.1	-176	60.9	-165.5	-91	0	0	109	C94 L117 W152 S153 G154 V181	C94-Q96 WeakPolarHBondContact O-CG 3.45Å; C94-Q96 PolarHBondContact O-N 2.8Å; C94-Q96 PolarHBondContact O-NE2 2.73Å; Q96-L117 HydrophobicContact CG-CD2 4.07Å; Q96-L117 WeakPolarHBondContact O-CD1 3.28Å; Q96-W152 WeakPolarHBondContact CB-O 3.5Å; Q96-S153 VanDerWaalsContact OE1-CA 3.28Å; Q96-G154 PolarHBondContact NE2-O 2.99Å; Q96-G154 PolarHBondContact OE1-O 3.35Å; Q96-V181 HydrophobicContact CB-CG2 3.91Å
97	S	95.3	Very high	96.2	Very high	27 Å²	27	49.5 Å²	49.5	19%	0.189	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-70.1	150.6	172.2	-70.2	0	0	0	0	110.7	W152 E314	S97-W152 WeakPolarHBondContact O-CZ3 3.31Å; S97-E314 WeakPolarHBondContact CB-OE1 3.38Å; S97-E314 PolarHBondContact OG-OE1 3.29Å
98	R	94.7	Very high	96.1	Very high	127 Å²	127	49.6 Å²	49.6	48%	0.479	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-95.2	136	174.3	-178.3	179.8	170.7	87.9	2.2	108.9	V100 E109 N112	R98-V100 HydrophobicContact CB-CG1 4.49Å; R98-V100 HydrophobicContact CG-CG1 4.24Å; R98-V100 PolarHBondContact O-N 2.87Å; R98-E109 IonicContact CZ-OE2 2.7Å; R98-E109 IonicContact NH1-OE2 2.98Å; R98-E109 IonicContact NH2-OE1 3.86Å; R98-E109 PolarHBondContact NH2-OE1 2.87Å; R98-E109 IonicContact NH2-OE2 2.89Å; R98-E109 PolarHBondContact NH2-OE2 2.97Å; R98-N112 HydrophobicContact CG-CB 4.49Å; R98-N112 WeakPolarHBondContact CG-OD1 3.34Å
99	D	94.6	Very high	96	Very high	27 Å²	27	50.1 Å²	50.1	14%	0.144	25%	0.25	C	C	.	.	P	Polyproline II helix	trans	-71	119.4	167.4	179.8	10.6	0	0	0	109.7	Y101 N112 Y367	D99-Y101 PolarHBondContact OD1-N 3.45Å; D99-N112 PolarHBondContact N-OD1 3.27Å; D99-N112 PolarHBondContact O-ND2 2.8Å; D99-Y367 VanDerWaalsContact OD2-CE1 3.31Å; D99-Y367 WeakPolarHBondContact OD2-CE1 3.47Å; D99-Y367 PolarHBondContact OD2-OH 2.86Å
100	V	94.5	Very high	96	Very high	85 Å²	85	42.9 Å²	42.9	52%	0.515	23%	0.225	S	C	.	.			trans	-120.9	3.3	178.9	-61.7	0	0	0	0	112.1	R98 E103	R98-V100 HydrophobicContact CB-CG1 4.49Å; R98-V100 HydrophobicContact CG-CG1 4.24Å; R98-V100 PolarHBondContact O-N 2.87Å; V100-E103 PolarHBondContact O-N 3.41Å
101	Y	93.4	Very high	96	Very high	61 Å²	61	41.9 Å²	41.9	24%	0.239	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-46.7	-175.3	-177.1	-107.1	0	0	0	110.9	D99 Y367 D370 R375	D99-Y101 PolarHBondContact OD1-N 3.45Å; Y101-Y367 AromaticContact CD1-CD1 3.51Å; Y101-Y367 HydrophobicContact CD1-CD1 3.51Å; Y101-Y367 AromaticContact CD1-CE1 3.86Å; Y101-Y367 HydrophobicContact CD1-CE1 3.86Å; Y101-Y367 HydrophobicContact CD1-CG 4.18Å; Y101-Y367 HydrophobicContact CE1-CD1 4.35Å; Y101-Y367 AromaticContact CG-CD1 3.98Å; Y101-Y367 HydrophobicContact CG-CD1 3.98Å; Y101-Y367 HydrophobicContact CG-CE1 4.33Å; Y101-D370 WeakPolarHBondContact OH-CB 3.45Å; Y101-R375 HydrophobicContact CE1-CB 4.42Å; Y101-R375 HydrophobicContact CE1-CG 4.45Å; Y101-R375 WeakPolarHBondContact O-CD 3.36Å; Y101-R375 PolarHBondContact O-NH1 3.1Å
102	F	93.3	Very high	96	Very high	3 Å²	3	42 Å²	42	1%	0.013	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	47.7	168.3	-61	-85.2	0	0	0	111.5	G104 F105 A108 V366 Y367 R375 L378 L379 W475	F102-G104 PolarHBondContact O-N 2.76Å; F102-F105 HydrophobicContact CB-CB 3.91Å; F102-F105 HydrophobicContact CB-CD1 4.22Å; F102-F105 HydrophobicContact CB-CG 4.49Å; F102-F105 VanDerWaalsContact O-CB 3.22Å; F102-F105 WeakPolarHBondContact O-CB 3.27Å; F102-F105 PolarHBondContact O-N 2.74Å; F102-A108 HydrophobicContact CB-CB 3.8Å; F102-V366 HydrophobicContact CE2-CG2 4.2Å; F102-V366 HydrophobicContact CZ-CB 4.42Å; F102-V366 HydrophobicContact CZ-CG2 4.09Å; F102-Y367 HydrophobicContact CD2-CD1 4.23Å; F102-Y367 AromaticContact CD2-CE1 3.5Å; F102-Y367 HydrophobicContact CD2-CE1 3.5Å; F102-Y367 VanDerWaalsContact CD2-CE1 3.5Å; F102-Y367 AromaticContact CD2-CE2 3.99Å; F102-Y367 HydrophobicContact CD2-CE2 3.99Å; F102-Y367 AromaticContact CD2-CZ 3.35Å; F102-Y367 WeakPolarHBondContact CD2-OH 3.36Å; F102-Y367 HydrophobicContact CE2-CD1 4.03Å; F102-Y367 AromaticContact CE2-CD2 3.94Å; F102-Y367 HydrophobicContact CE2-CD2 3.94Å; F102-Y367 AromaticContact CE2-CE1 3.69Å; F102-Y367 HydrophobicContact CE2-CE1 3.69Å; F102-Y367 AromaticContact CE2-CE2 3.6Å; F102-Y367 HydrophobicContact CE2-CE2 3.6Å; F102-Y367 HydrophobicContact CE2-CG 4.14Å; F102-Y367 AromaticContact CE2-CZ 3.46Å; F102-Y367 VanDerWaalsContact CE2-CZ 3.46Å; F102-R375 HydrophobicContact CD1-CG 3.59Å; F102-R375 HydrophobicContact CE1-CB 4.31Å; F102-R375 HydrophobicContact CE1-CG 3.56Å; F102-R375 HydrophobicContact CZ-CG 4.48Å; F102-L378 HydrophobicContact CE1-CB 4.42Å; F102-L378 HydrophobicContact CE1-CD1 3.97Å; F102-L378 HydrophobicContact CZ-CD1 3.81Å; F102-L379 HydrophobicContact CD1-CD2 4.09Å; F102-L379 HydrophobicContact CD1-CG 4.34Å; F102-W475 AromaticContact CD2-CH2 3.77Å; F102-W475 HydrophobicContact CD2-CH2 3.77Å; F102-W475 HydrophobicContact CD2-CZ3 4.33Å; F102-W475 HydrophobicContact CE1-CZ3 4.24Å; F102-W475 AromaticContact CE2-CH2 3.77Å; F102-W475 HydrophobicContact CE2-CH2 3.77Å; F102-W475 HydrophobicContact CE2-CZ3 4.03Å; F102-W475 HydrophobicContact CG-CH2 4.2Å; F102-W475 HydrophobicContact CZ-CH2 4.21Å; F102-W475 AromaticContact CZ-CZ3 4Å; F102-W475 HydrophobicContact CZ-CZ3 4Å
103	E	92.6	Very high	96	Very high	143 Å²	143	41.7 Å²	41.7	67%	0.668	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.3	130.1	-179.2	-175.2	175.7	-157.2	0	0	112.4	V100 F105	V100-E103 PolarHBondContact O-N 3.41Å; E103-F105 PolarHBondContact O-N 3.27Å
104	G	93.2	Very high	96	Very high	64 Å²	64	45.4 Å²	45.4	66%	0.66	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.8	-3.7	-178.8	0	0	0	0	0	115.5	F102 E109	F102-G104 PolarHBondContact O-N 2.76Å; G104-E109 PolarHBondContact N-OE1 3.24Å
105	F	95.4	Very high	96	Very high	38 Å²	38	46.6 Å²	46.6	17%	0.167	24%	0.244	C	C	.	.			trans	-85.1	119.5	173.4	179	-117.1	0	0	0	110.7	F102 E103 G107 A108 E109 L379 V474 W475	F102-F105 HydrophobicContact CB-CB 3.91Å; F102-F105 HydrophobicContact CB-CD1 4.22Å; F102-F105 HydrophobicContact CB-CG 4.49Å; F102-F105 VanDerWaalsContact O-CB 3.22Å; F102-F105 WeakPolarHBondContact O-CB 3.27Å; F102-F105 PolarHBondContact O-N 2.74Å; E103-F105 PolarHBondContact O-N 3.27Å; F105-G107 PolarHBondContact O-N 3.47Å; F105-G107 VanDerWaalsContact O-N 3.11Å; F105-A108 HydrophobicContact CD1-CB 4.28Å; F105-A108 PolarHBondContact O-N 3.28Å; F105-E109 WeakPolarHBondContact O-CG 3.37Å; F105-E109 PolarHBondContact O-N 3.05Å; F105-L379 HydrophobicContact CB-CD2 4.07Å; F105-L379 HydrophobicContact CD1-CD2 4.3Å; F105-L379 HydrophobicContact CD2-CD2 3.62Å; F105-L379 HydrophobicContact CE2-CD2 4.1Å; F105-L379 HydrophobicContact CG-CD2 3.73Å; F105-V474 HydrophobicContact CE1-CG2 4.22Å; F105-V474 HydrophobicContact CE2-CB 4.1Å; F105-V474 HydrophobicContact CE2-CG2 3.89Å; F105-V474 HydrophobicContact CZ-CB 4.09Å; F105-V474 HydrophobicContact CZ-CG2 3.61Å; F105-V474 WeakPolarHBondContact CZ-O 3.47Å; F105-W475 AromaticContact CD1-CH2 3.97Å; F105-W475 HydrophobicContact CD1-CH2 3.97Å; F105-W475 HydrophobicContact CD1-CZ2 4.08Å; F105-W475 HydrophobicContact CD1-CZ3 4.25Å; F105-W475 AromaticContact CE1-CD2 3.61Å; F105-W475 HydrophobicContact CE1-CD2 3.61Å; F105-W475 AromaticContact CE1-CE2 3.63Å; F105-W475 AromaticContact CE1-CE3 3.63Å; F105-W475 HydrophobicContact CE1-CE3 3.63Å; F105-W475 HydrophobicContact CE1-CG 4.29Å; F105-W475 AromaticContact CE1-CH2 3.7Å; F105-W475 HydrophobicContact CE1-CH2 3.7Å; F105-W475 AromaticContact CE1-CZ2 3.67Å; F105-W475 HydrophobicContact CE1-CZ2 3.67Å; F105-W475 AromaticContact CE1-CZ3 3.68Å; F105-W475 HydrophobicContact CE1-CZ3 3.68Å; F105-W475 HydrophobicContact CZ-CD2 4.16Å; F105-W475 HydrophobicContact CZ-CE3 4.19Å; F105-W475 HydrophobicContact CZ-CG 4.48Å
106	E	94.9	Very high	96	Very high	118 Å²	118	51.1 Å²	51.1	55%	0.551	27%	0.274	S	S	*	.	H	α-helix	trans	-52.4	-39	-174.2	179.9	176.2	-167.4	0	0	113.7	A108 E109 M110 V474	E106-A108 PolarHBondContact O-N 2.86Å; E106-E109 PolarHBondContact O-N 3.27Å; E106-M110 WeakPolarHBondContact O-CB 3.46Å; E106-M110 WeakPolarHBondContact O-CG 3.37Å; E106-M110 PolarHBondContact O-N 2.75Å; E106-V474 HydrophobicContact CB-CG2 4.18Å
107	G	94.8	Very high	96	Very high	0 Å²	0	55 Å²	55	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-68.9	-14.9	-179.2	0	0	0	0	0	114.9	F105 W111 V474 W475	F105-G107 PolarHBondContact O-N 3.47Å; F105-G107 VanDerWaalsContact O-N 3.11Å; G107-W111 PolarHBondContact O-NE1 2.75Å; G107-V474 VanDerWaalsContact N-CG2 3.27Å; G107-W475 WeakPolarHBondContact O-CZ2 3.44Å; G107-W475 PolarHBondContact O-NE1 2.98Å
108	A	96.4	Very high	96.1	Very high	2 Å²	2	57.4 Å²	57.4	2%	0.017	31%	0.305	C	S	.	.	H	α-helix	trans	-101.3	-44.7	170	0	0	0	0	0	110.9	F102 F105 E106 M110 W111 W475	F102-A108 HydrophobicContact CB-CB 3.8Å; F105-A108 HydrophobicContact CD1-CB 4.28Å; F105-A108 PolarHBondContact O-N 3.28Å; E106-A108 PolarHBondContact O-N 2.86Å; A108-M110 PolarHBondContact O-N 3.14Å; A108-W111 PolarHBondContact O-N 3.16Å; A108-W111 VanDerWaalsContact O-N 3.12Å; A108-W475 HydrophobicContact CB-CZ2 4.42Å
109	E	96.9	Very high	96.3	Very high	43 Å²	43	52.9 Å²	52.9	20%	0.201	29%	0.289	C	S	.	.	H	α-helix	trans	-61.6	-29.4	-177.8	-71.1	-66.7	177.8	0	0	113.9	R98 G104 F105 E106 W111 N112	R98-E109 IonicContact CZ-OE2 2.7Å; R98-E109 IonicContact NH1-OE2 2.98Å; R98-E109 IonicContact NH2-OE1 3.86Å; R98-E109 PolarHBondContact NH2-OE1 2.87Å; R98-E109 IonicContact NH2-OE2 2.89Å; R98-E109 PolarHBondContact NH2-OE2 2.97Å; G104-E109 PolarHBondContact N-OE1 3.24Å; F105-E109 WeakPolarHBondContact O-CG 3.37Å; F105-E109 PolarHBondContact O-N 3.05Å; E106-E109 PolarHBondContact O-N 3.27Å; E109-W111 PolarHBondContact O-N 3.16Å; E109-W111 VanDerWaalsContact O-N 3.1Å; E109-N112 WeakPolarHBondContact O-CB 3.36Å; E109-N112 PolarHBondContact O-N 2.99Å; E109-N112 VanDerWaalsContact O-N 3.09Å; E109-N112 PolarHBondContact OE2-ND2 3Å
110	M	97.2	Very high	96.5	Very high	50 Å²	50	54.2 Å²	54.2	25%	0.246	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-20.3	177	67.6	-179.3	-66.4	0	0	113.9	E106 A108 V160 Y485	E106-M110 WeakPolarHBondContact O-CB 3.46Å; E106-M110 WeakPolarHBondContact O-CG 3.37Å; E106-M110 PolarHBondContact O-N 2.75Å; A108-M110 PolarHBondContact O-N 3.14Å; M110-V160 HydrophobicContact CE-CG2 4.38Å; M110-Y485 HydrophobicContact SD-CE1 4.41Å; M110-Y485 PolarHBondContact SD-OH 3.28Å
111	W	98.1	Very high	96.7	Very high	41 Å²	41	50.1 Å²	50.1	16%	0.155	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-11.5	179.6	-53.8	113.3	0	0	0	113.5	G107 A108 E109 L158 V160 Y485 I487	G107-W111 PolarHBondContact O-NE1 2.75Å; A108-W111 PolarHBondContact O-N 3.16Å; A108-W111 VanDerWaalsContact O-N 3.12Å; E109-W111 PolarHBondContact O-N 3.16Å; E109-W111 VanDerWaalsContact O-N 3.1Å; W111-L158 HydrophobicContact CE3-CD1 4.11Å; W111-V160 HydrophobicContact CH2-CG1 4.37Å; W111-V160 HydrophobicContact CZ3-CG1 3.82Å; W111-Y485 HydrophobicContact CZ2-CE2 4.37Å; W111-I487 HydrophobicContact CH2-CD1 4.23Å; W111-I487 HydrophobicContact CZ3-CD1 4.37Å
112	N	98.3	Very high	96.9	Very high	12 Å²	12	47.3 Å²	47.3	6%	0.064	26%	0.261	C	S	.	.	S	Bend	trans	-72.8	145.6	177.7	-84.3	-35.8	0	0	0	111.1	R98 D99 E109 N114 L158	R98-N112 HydrophobicContact CG-CB 4.49Å; R98-N112 WeakPolarHBondContact CG-OD1 3.34Å; D99-N112 PolarHBondContact N-OD1 3.27Å; D99-N112 PolarHBondContact O-ND2 2.8Å; E109-N112 WeakPolarHBondContact O-CB 3.36Å; E109-N112 PolarHBondContact O-N 2.99Å; E109-N112 VanDerWaalsContact O-N 3.09Å; E109-N112 PolarHBondContact OE2-ND2 3Å; N112-N114 PolarHBondContact O-N 2.84Å; N112-L158 WeakPolarHBondContact O-CD2 3.41Å
113	A	98.4	Very high	97.2	Very high	24 Å²	24	48.4 Å²	48.4	20%	0.198	27%	0.266	C	S	.	.			trans	-53.6	125	175.4	0	0	0	0	0	111.7	L117 T155	A113-L117 HydrophobicContact CB-CD2 3.75Å; A113-T155 HydrophobicContact CB-CG2 4.49Å
114	N	98	Very high	97.5	Very high	78 Å²	78	41.6 Å²	41.6	42%	0.417	23%	0.234	S	C	.	.			trans	-101	4.9	-178.4	67.4	-16.4	0	0	0	113.5	N112 S157 D159	N112-N114 PolarHBondContact O-N 2.84Å; N114-S157 PolarHBondContact ND2-O 3.46Å; N114-S157 WeakPolarHBondContact OD1-CB 3.04Å; N114-S157 PolarHBondContact OD1-O 3.06Å; N114-S157 PolarHBondContact OD1-OG 3.02Å; N114-D159 PolarHBondContact ND2-OD1 2.62Å
115	T	98.6	Very high	97.8	Very high	26 Å²	26	38.6 Å²	38.6	16%	0.16	20%	0.203	C	C	.	.	S	Bend	trans	-126.7	160.3	173.4	65.8	0	0	0	0	110.7	M90 P91 S93 L117	M90-T115 HydrophobicContact CB-CG2 4.09Å; P91-T115 WeakPolarHBondContact O-CB 3.27Å; P91-T115 WeakPolarHBondContact O-CG2 3.14Å; P91-T115 PolarHBondContact O-OG1 2.82Å; S93-T115 PolarHBondContact N-OG1 3.37Å; S93-T115 PolarHBondContact OG-OG1 3.36Å; T115-L117 PolarHBondContact O-N 3.43Å
116	P	98.2	Very high	97.9	Very high	99 Å²	99	36.8 Å²	36.8	64%	0.643	20%	0.195	S	C	*	.			trans	-57	136.8	-179.7	-25.2	34.8	0	0	0	112.5	S92 S93	S92-P116 VanDerWaalsContact CA-O 3.3Å; S92-P116 WeakPolarHBondContact CA-O 2.96Å; S92-P116 WeakPolarHBondContact CB-O 2.97Å; S92-P116 PolarHBondContact OG-O 2.74Å; S92-P116 VanDerWaalsContact OG-O 3.05Å; S93-P116 PolarHBondContact N-O 2.6Å; S93-P116 VanDerWaalsContact N-O 3.13Å
117	L	98.4	Very high	98.1	Very high	88 Å²	88	31.1 Å²	31.1	46%	0.461	17%	0.168	S	C	.	.	B	Isolated β-bridge	trans	-72.9	127	175.4	-56.3	-176	0	0	0	110.5	S93 Q96 A113 T115	S93-L117 WeakPolarHBondContact O-CA 3.48Å; Q96-L117 HydrophobicContact CG-CD2 4.07Å; Q96-L117 WeakPolarHBondContact O-CD1 3.28Å; A113-L117 HydrophobicContact CB-CD2 3.75Å; T115-L117 PolarHBondContact O-N 3.43Å
118	N	98.1	Very high	98.2	Very high	77 Å²	77	31.4 Å²	31.4	41%	0.412	17%	0.17	S	C	.	.			trans	-150.6	142.7	177.1	-161.7	-36.4	0	0	0	110.3	S93 P95 D120 C121	S93-N118 PolarHBondContact O-N 3.03Å; P95-N118 WeakPolarHBondContact CD-O 3.48Å; N118-D120 PolarHBondContact O-N 3.19Å; N118-D120 PolarHBondContact OD1-N 3.01Å; N118-C121 WeakPolarHBondContact O-CB 3.39Å
119	E	98.6	Very high	98.2	Very high	31 Å²	31	32.1 Å²	32.1	15%	0.145	18%	0.175	C	C	.	.	S	Bend	trans	-65.9	-28	171.9	-73.1	-177.5	87.1	0	0	112.5	P66 I67 R71 P95 C121 V307	P66-E119 VanDerWaalsContact CD-O 3.29Å; P66-E119 WeakPolarHBondContact CD-O 3.49Å; P66-E119 VanDerWaalsContact CG-O 3.26Å; P66-E119 WeakPolarHBondContact CG-O 3.24Å; I67-E119 HydrophobicContact CG2-CB 3.7Å; R71-E119 IonicContact CZ-OE1 3.88Å; R71-E119 IonicContact CZ-OE2 3.98Å; R71-E119 IonicContact NE-OE1 2.69Å; R71-E119 PolarHBondContact NE-OE1 3.37Å; R71-E119 IonicContact NE-OE2 3.22Å; R71-E119 VanDerWaalsContact NH2-CD 3.27Å; R71-E119 IonicContact NH2-OE1 2.88Å; R71-E119 PolarHBondContact NH2-OE1 2.86Å; R71-E119 IonicContact NH2-OE2 3.78Å; R71-E119 PolarHBondContact NH2-OE2 2.96Å; P95-E119 HydrophobicContact CG-CB 4.39Å; P95-E119 HydrophobicContact CG-CG 3.66Å; E119-C121 VanDerWaalsContact C-N 3.26Å; E119-C121 PolarHBondContact O-N 3.13Å; E119-V307 HydrophobicContact CG-CG2 3.91Å; E119-V307 WeakPolarHBondContact OE2-CG2 3.38Å
120	D	98.6	Very high	98	Very high	55 Å²	55	31.4 Å²	31.4	29%	0.294	18%	0.178	S	C	.	.			trans	-74.4	83.3	164	-171.1	13.8	0	0	0	109.2	P65 N118 F123	P65-D120 HydrophobicContact CB-CB 4.03Å; P65-D120 WeakPolarHBondContact CB-OD1 3.17Å; P65-D120 WeakPolarHBondContact CG-OD1 3.47Å; N118-D120 PolarHBondContact O-N 3.19Å; N118-D120 PolarHBondContact OD1-N 3.01Å; D120-F123 WeakPolarHBondContact O-CE2 3.36Å
121	C	98.8	Very high	97.6	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.199	C	C	.	.			trans	-129.3	0.7	-176.4	66.7	0	0	0	0	114.6	C94 N118 E119 F123 N178	C94-C121 WeakPolarHBondContact CA-SG 3.32Å; C94-C121 HydrophobicContact CB-CB 3.85Å; C94-C121 WeakPolarHBondContact CB-SG 3.41Å; C94-C121 WeakPolarHBondContact SG-CB 3.47Å; C94-C121 CovalentContact SG-SG 2.04Å; C94-C121 PolarHBondContact SG-SG 3.47Å; N118-C121 WeakPolarHBondContact O-CB 3.39Å; E119-C121 VanDerWaalsContact C-N 3.26Å; E119-C121 PolarHBondContact O-N 3.13Å; C121-F123 VanDerWaalsContact C-CD2 3.44Å; C121-F123 VanDerWaalsContact C-N 3.26Å; C121-F123 PolarHBondContact O-N 3.18Å; C121-N178 WeakPolarHBondContact O-CB 3.38Å; C121-N178 PolarHBondContact O-ND2 3.37Å
122	L	98.9	Very high	97	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	20%	0.198	C	C	.	.			trans	-80.8	71	-173.9	-60.9	-173.6	0	0	0	112.7	F62 A63 P66 P75 R180 D202	F62-L122 VanDerWaalsContact CD1-O 3.31Å; F62-L122 WeakPolarHBondContact CD1-O 3.35Å; F62-L122 HydrophobicContact CE1-CB 4.06Å; F62-L122 WeakPolarHBondContact CE1-O 3.23Å; F62-L122 HydrophobicContact CE2-CB 4.23Å; F62-L122 HydrophobicContact CZ-CB 3.82Å; F62-L122 HydrophobicContact CZ-CD2 4.05Å; F62-L122 HydrophobicContact CZ-CG 4.42Å; F62-L122 PolarHBondContact N-O 2.8Å; A63-L122 HydrophobicContact CB-CB 3.95Å; A63-L122 HydrophobicContact CB-CD1 3.63Å; A63-L122 HydrophobicContact CB-CG 4.45Å; P66-L122 HydrophobicContact CB-CD1 4.23Å; P66-L122 HydrophobicContact CG-CD1 3.82Å; P66-L122 HydrophobicContact CG-CG 3.94Å; P75-L122 HydrophobicContact CB-CD1 4.13Å; L122-R180 HydrophobicContact CD2-CG 4.22Å; L122-D202 HydrophobicContact CD2-CB 3.97Å; L122-D202 WeakPolarHBondContact CD2-OD2 3.42Å
123	F	98.9	Very high	96.2	Very high	27 Å²	27	41.2 Å²	41.2	12%	0.118	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	157.5	-179.9	-58.4	-84.8	0	0	0	111.6	G59 V60 P61 F62 F85 P91 D120 C121 N178	G59-F123 WeakPolarHBondContact O-CD1 3.49Å; V60-F123 CarbonylContact O-C 3.52Å; V60-F123 VanDerWaalsContact O-CA 3.3Å; V60-F123 WeakPolarHBondContact O-CA 3.49Å; P61-F123 HydrophobicContact CB-CD1 3.89Å; P61-F123 HydrophobicContact CB-CE1 3.79Å; P61-F123 HydrophobicContact CG-CE1 4.48Å; F62-F123 WeakPolarHBondContact CE1-O 3.25Å; F85-F123 HydrophobicContact CZ-CE1 4.36Å; P91-F123 HydrophobicContact CB-CB 3.47Å; P91-F123 VanDerWaalsContact CB-CB 3.47Å; P91-F123 HydrophobicContact CB-CD2 3.51Å; P91-F123 HydrophobicContact CB-CE2 4.42Å; P91-F123 HydrophobicContact CB-CG 3.62Å; P91-F123 HydrophobicContact CG-CB 3.81Å; P91-F123 HydrophobicContact CG-CG 4.49Å; D120-F123 WeakPolarHBondContact O-CE2 3.36Å; C121-F123 VanDerWaalsContact C-CD2 3.44Å; C121-F123 VanDerWaalsContact C-N 3.26Å; C121-F123 PolarHBondContact O-N 3.18Å; F123-N178 PolarHBondContact O-N 3.21Å
124	L	98.9	Very high	95.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	160.7	171.1	60.7	82.1	0	0	0	111.4	G59 V60 F62 I126 V175 S176 M177 A206 W209	G59-L124 PolarHBondContact N-O 3.21Å; V60-L124 HydrophobicContact CB-CD1 3.89Å; V60-L124 HydrophobicContact CB-CG 4.38Å; V60-L124 HydrophobicContact CG1-CD1 4.45Å; V60-L124 HydrophobicContact CG2-CD1 4.45Å; V60-L124 PolarHBondContact N-O 3.09Å; V60-L124 PolarHBondContact O-N 3.19Å; F62-L124 HydrophobicContact CB-CD2 3.78Å; F62-L124 HydrophobicContact CB-CG 4.43Å; F62-L124 HydrophobicContact CD1-CB 4.19Å; F62-L124 HydrophobicContact CD1-CD2 4.05Å; F62-L124 HydrophobicContact CD1-CG 4.24Å; F62-L124 HydrophobicContact CG-CD2 4.2Å; L124-I126 HydrophobicContact CD1-CD1 3.87Å; L124-I126 HydrophobicContact CD1-CG1 3.7Å; L124-V175 HydrophobicContact CB-CG1 4.48Å; L124-V175 HydrophobicContact CD1-CG1 4.43Å; L124-S176 CarbonylContact C-O 3.54Å; L124-S176 WeakPolarHBondContact CA-O 3.28Å; L124-S176 VanDerWaalsContact CB-O 3.24Å; L124-S176 WeakPolarHBondContact CB-O 3.49Å; L124-M177 HydrophobicContact CB-CB 4.04Å; L124-A206 HydrophobicContact CD2-CB 4.49Å; L124-W209 HydrophobicContact CD1-CE3 4.02Å; L124-W209 HydrophobicContact CD1-CH2 4.04Å; L124-W209 HydrophobicContact CD1-CZ3 3.75Å; L124-W209 HydrophobicContact CD2-CB 4.31Å; L124-W209 HydrophobicContact CD2-CD2 3.67Å; L124-W209 HydrophobicContact CD2-CE3 3.45Å; L124-W209 VanDerWaalsContact CD2-CE3 3.45Å; L124-W209 HydrophobicContact CD2-CG 4.03Å; L124-W209 HydrophobicContact CD2-CZ3 4.07Å; L124-W209 HydrophobicContact CG-CE3 4.37Å
125	N	98.9	Very high	94.2	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	145.5	179.4	-47.5	-64.4	0	0	0	109.2	F57 L58 G59 P91 W127 S156 V175 S176	F57-N125 CarbonylContact O-C 3.6Å; F57-N125 WeakPolarHBondContact O-CA 3.49Å; L58-N125 HydrophobicContact CD2-CB 3.97Å; G59-N125 PolarHBondContact N-OD1 3Å; P91-N125 VanDerWaalsContact CD-OD1 3.3Å; P91-N125 WeakPolarHBondContact CD-OD1 3.38Å; N125-W127 HydrophobicContact CB-CE3 4.4Å; N125-W127 HydrophobicContact CB-CH2 3.51Å; N125-W127 HydrophobicContact CB-CZ2 4.25Å; N125-W127 HydrophobicContact CB-CZ3 3.59Å; N125-S156 PolarHBondContact ND2-OG 3.44Å; N125-V175 CarbonylContact O-C 3.51Å; N125-V175 VanDerWaalsContact O-CA 3.23Å; N125-V175 WeakPolarHBondContact O-CA 3.46Å; N125-S176 PolarHBondContact N-O 3.1Å; N125-S176 PolarHBondContact ND2-OG 3.15Å; N125-S176 VanDerWaalsContact ND2-OG 3.15Å; N125-S176 PolarHBondContact O-N 3.2Å
126	I	98.8	Very high	93.3	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	127.8	-178.8	-47.5	171.2	0	0	0	109	E56 F57 L124 V128 I173 I174 V175 W209 I214 F217	E56-I126 CarbonylContact C-O 3.53Å; E56-I126 WeakPolarHBondContact CA-O 3.3Å; F57-I126 HydrophobicContact CB-CB 4.21Å; F57-I126 PolarHBondContact N-O 2.87Å; F57-I126 PolarHBondContact O-N 3.12Å; L124-I126 HydrophobicContact CD1-CD1 3.87Å; L124-I126 HydrophobicContact CD1-CG1 3.7Å; I126-V128 HydrophobicContact CG2-CG2 3.94Å; I126-I173 HydrophobicContact CG2-CG2 3.83Å; I126-I174 WeakPolarHBondContact CA-O 3.49Å; I126-V175 HydrophobicContact CG1-CG2 4.42Å; I126-V175 HydrophobicContact CG2-CG2 4.39Å; I126-W209 HydrophobicContact CD1-CH2 3.61Å; I126-W209 HydrophobicContact CD1-CZ3 3.71Å; I126-I214 HydrophobicContact CG2-CD1 4.26Å; I126-F217 HydrophobicContact CD1-CD1 3.93Å; I126-F217 HydrophobicContact CD1-CD2 4.2Å; I126-F217 HydrophobicContact CD1-CE1 3.62Å; I126-F217 HydrophobicContact CD1-CE2 3.94Å; I126-F217 HydrophobicContact CD1-CG 4.2Å; I126-F217 HydrophobicContact CD1-CZ 3.61Å; I126-F217 HydrophobicContact CG2-CD1 4.37Å
127	W	98.4	Very high	92.4	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	126.1	168.9	-64	-96.7	0	0	0	109.3	V54 E56 L58 M90 N125 C167 I173 I174 S176	V54-W127 HydrophobicContact CG1-CB 4.18Å; E56-W127 PolarHBondContact OE1-NE1 3.34Å; L58-W127 HydrophobicContact CD2-CZ2 3.94Å; M90-W127 HydrophobicContact CE-CH2 4.15Å; M90-W127 HydrophobicContact CE-CZ2 3.72Å; N125-W127 HydrophobicContact CB-CE3 4.4Å; N125-W127 HydrophobicContact CB-CH2 3.51Å; N125-W127 HydrophobicContact CB-CZ2 4.25Å; N125-W127 HydrophobicContact CB-CZ3 3.59Å; W127-C167 VanDerWaalsContact C-SG 3.53Å; W127-C167 HydrophobicContact CB-CB 3.92Å; W127-C167 PolarHBondContact O-SG 3.31Å; W127-C167 VanDerWaalsContact O-SG 3.39Å; W127-I173 WeakPolarHBondContact O-CA 3.26Å; W127-I174 HydrophobicContact CB-CB 4.34Å; W127-I174 HydrophobicContact CE3-CB 4.1Å; W127-I174 HydrophobicContact CE3-CG2 3.95Å; W127-I174 HydrophobicContact CZ3-CG2 4.33Å; W127-I174 PolarHBondContact N-O 3.1Å; W127-I174 PolarHBondContact O-N 2.9Å; W127-I174 VanDerWaalsContact O-N 3.14Å; W127-S176 WeakPolarHBondContact CH2-OG 3.47Å; W127-S176 WeakPolarHBondContact CZ3-OG 3.49Å
128	V	97.2	Very high	91.9	Very high	5 Å²	5	55.4 Å²	55.4	3%	0.03	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	132	179.5	-175.9	0	0	0	0	109	T55 F57 I126 W132 I173 F217	T55-V128 PolarHBondContact N-O 3.07Å; T55-V128 PolarHBondContact O-N 2.93Å; F57-V128 HydrophobicContact CE2-CG2 4.4Å; I126-V128 HydrophobicContact CG2-CG2 3.94Å; V128-W132 HydrophobicContact CG1-CZ3 4.33Å; V128-I173 HydrophobicContact CG1-CG1 4.5Å; V128-I173 HydrophobicContact CG2-CD1 4.42Å; V128-I173 HydrophobicContact CG2-CG1 4.46Å; V128-F217 HydrophobicContact CG2-CB 4.15Å
129	P	95.8	Very high	91.8	Very high	18 Å²	18	57.2 Å²	57.2	12%	0.117	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	138.6	-176.5	28.5	-32.1	0	0	0	110.9	L140 C167 D171	P129-L140 HydrophobicContact CG-CD1 3.38Å; P129-C167 WeakPolarHBondContact CD-SG 3.29Å; P129-D171 VanDerWaalsContact CG-OD1 3.24Å; P129-D171 WeakPolarHBondContact CG-OD1 3.48Å
130	G	93.3	Very high	91.7	Very high	27 Å²	27	56.4 Å²	56.4	28%	0.278	29%	0.286	S	S	.	.	S	Bend	trans	85.3	-169.1	178	0	0	0	0	0	115	A53 V54 T55	A53-G130 WeakPolarHBondContact O-CA 3.41Å; A53-G130 PolarHBondContact O-N 2.85Å; V54-G130 CarbonylContact C-O 3.54Å; T55-G130 PolarHBondContact N-O 2.58Å; T55-G130 PolarHBondContact OG1-O 2.8Å
131	R	89.2	Confident	91.7	Very high	180 Å²	180	54.1 Å²	54.1	68%	0.679	27%	0.273	S	S	*	.	S	Bend	trans	-88.6	158.4	178.5	-64.8	-171.1	-174.3	-166.8	-0.7	111.5	E45 A53 P133	E45-R131 WeakPolarHBondContact OE1-CB 3.27Å; A53-R131 HydrophobicContact CB-CG 4.05Å; R131-P133 CarbonylContact O-C 3.28Å
132	W	84.6	Confident	91.7	Very high	38 Å²	38	54.1 Å²	54.1	14%	0.144	27%	0.273	C	S	.	.	S	Bend	trans	-109.4	136.1	-177.6	-167.1	-91.1	0	0	0	112.5	T30 V33 E45 T55 V128 P134 M216	T30-W132 HydrophobicContact CG2-CB 3.98Å; T30-W132 HydrophobicContact CG2-CG 4.27Å; V33-W132 HydrophobicContact CG2-CH2 4.46Å; V33-W132 HydrophobicContact CG2-CZ2 3.55Å; E45-W132 PolarHBondContact OE1-N 3.11Å; T55-W132 HydrophobicContact CG2-CB 4.03Å; V128-W132 HydrophobicContact CG1-CZ3 4.33Å; W132-P134 HydrophobicContact CZ3-CG 4.16Å; W132-M216 VanDerWaalsContact CH2-O 3.24Å; W132-M216 WeakPolarHBondContact CH2-O 3.36Å
133	P	82.2	Confident	91.7	Very high	92 Å²	92	54 Å²	54	60%	0.597	27%	0.273	S	S	*	.	S	Bend	cis	-69.9	152.8	-4.6	30.5	-34.9	0	0	0	111.8	R131 A135	R131-P133 CarbonylContact O-C 3.28Å; P133-A135 PolarHBondContact O-N 3.44Å
134	P	79.6	Confident	91.7	Very high	54 Å²	54	52.8 Å²	52.8	35%	0.351	27%	0.267	S	S	.	.			trans	-61.5	138.1	-178.6	24.6	-33.2	0	0	0	110.5	W132 S136	W132-P134 HydrophobicContact CZ3-CG 4.16Å; P134-S136 PolarHBondContact O-N 3.16Å
135	A	74.9	Confident	91.7	Very high	119 Å²	119	52.8 Å²	52.8	98%	0.983	27%	0.267	S	S	*	.	S	Bend	trans	-64.8	-25.8	179.1	0	0	0	0	0	112.6	P133	P133-A135 PolarHBondContact O-N 3.44Å
136	S	78.8	Confident	91.7	Very high	71 Å²	71	52.8 Å²	52.8	50%	0.497	27%	0.268	S	S	.	.			trans	-108.8	145.2	177.7	-178.2	0	0	0	0	110.9	P134 R138	P134-S136 PolarHBondContact O-N 3.16Å; S136-R138 VanDerWaalsContact C-N 3.28Å; S136-R138 WeakPolarHBondContact OG-CB 3.27Å; S136-R138 PolarHBondContact OG-N 3.49Å; S136-R138 VanDerWaalsContact OG-N 3.11Å
137	R	79.4	Confident	91.7	Very high	254 Å²	254	52.8 Å²	52.8	96%	0.958	27%	0.268	S	S	*	.			trans	-88.6	8.6	169.6	-65.7	-171.3	179.8	176.8	0.3	113.1	R139	R137-R139 PolarHBondContact O-N 2.95Å
138	R	88.7	Confident	91.7	Very high	114 Å²	114	53 Å²	53	43%	0.43	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-62.9	127.7	176.8	-175.3	173.2	79.2	88.7	-7.7	109.2	S136 D171	S136-R138 VanDerWaalsContact C-N 3.28Å; S136-R138 WeakPolarHBondContact OG-CB 3.27Å; S136-R138 PolarHBondContact OG-N 3.49Å; S136-R138 VanDerWaalsContact OG-N 3.11Å; R138-D171 IonicContact CZ-OD2 2.84Å; R138-D171 IonicContact NH2-OD2 3.75Å; R138-D171 PolarHBondContact NH2-OD2 2.78Å
139	R	94.4	Very high	91.7	Very high	115 Å²	115	53.7 Å²	53.7	43%	0.434	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-75.7	135.4	171.5	-61.8	-173.4	-176.4	164.3	-1	110	R137 E215 G218 D220	R137-R139 PolarHBondContact O-N 2.95Å; R139-E215 IonicContact CZ-OE1 3.39Å; R139-E215 IonicContact CZ-OE2 3.4Å; R139-E215 IonicContact NE-OE1 3.02Å; R139-E215 IonicContact NH2-OE1 3.8Å; R139-E215 PolarHBondContact NH2-OE1 2.91Å; R139-E215 IonicContact NH2-OE2 3.49Å; R139-E215 PolarHBondContact NH2-OE2 3.47Å; R139-G218 CarbonylContact C-O 3.44Å; R139-G218 VanDerWaalsContact CA-O 3.3Å; R139-G218 WeakPolarHBondContact CA-O 3.34Å; R139-D220 HydrophobicContact CB-CB 3.8Å
140	L	96.9	Very high	91.8	Very high	15 Å²	15	53 Å²	53	8%	0.079	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	147.5	-176.8	-61.8	-178	0	0	0	111.4	P129 I173 G218 G219 D220	P129-L140 HydrophobicContact CG-CD1 3.38Å; L140-I173 HydrophobicContact CB-CD1 4.36Å; L140-I173 HydrophobicContact CB-CG1 4.16Å; L140-I173 HydrophobicContact CD1-CG1 4.11Å; L140-G218 PolarHBondContact N-O 3.09Å; L140-G219 CarbonylContact O-C 3.47Å; L140-G219 WeakPolarHBondContact O-CA 3.48Å; L140-D220 PolarHBondContact O-N 3.42Å
141	P	98.2	Very high	92.1	Very high	6 Å²	6	51.7 Å²	51.7	4%	0.039	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	146.9	168.4	30.7	-36.2	0	0	0	110	V172 I173 E223 R522	P141-V172 HydrophobicContact CG-CB 4.29Å; P141-V172 HydrophobicContact CG-CG1 3.74Å; P141-I173 PolarHBondContact O-N 3.28Å; P141-E223 HydrophobicContact CB-CB 4.26Å; P141-R522 HydrophobicContact CB-CB 4.4Å; P141-R522 HydrophobicContact CG-CB 4.14Å; P141-R522 HydrophobicContact CG-CG 4.25Å
142	V	98.9	Very high	92.5	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	126.5	-175	-176.8	0	0	0	0	108.5	V144 I173 V175 V210 I214 E223 V224 T225	V142-V144 HydrophobicContact CG1-CG2 4.05Å; V142-I173 CarbonylContact C-O 3.42Å; V142-I173 WeakPolarHBondContact CA-O 3.12Å; V142-I173 HydrophobicContact CG1-CG2 4.37Å; V142-I173 HydrophobicContact CG2-CB 4.38Å; V142-V175 HydrophobicContact CG1-CG2 3.88Å; V142-V210 HydrophobicContact CG1-CG1 4.23Å; V142-I214 HydrophobicContact CG1-CD1 4.43Å; V142-I214 HydrophobicContact CG1-CG1 3.99Å; V142-I214 HydrophobicContact CG2-CG1 3.69Å; V142-I214 HydrophobicContact CG2-CG2 4.15Å; V142-E223 PolarHBondContact N-O 3.29Å; V142-V224 HydrophobicContact CB-CG2 4.13Å; V142-V224 CarbonylContact O-C 3.58Å; V142-V224 WeakPolarHBondContact O-CA 3.42Å; V142-T225 PolarHBondContact O-N 3.13Å
143	M	98.9	Very high	93.2	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	122.7	173.3	-60.5	175.6	68.6	0	0	109.1	L166 V172 I173 I174 V175 T225 F227 I253 W517 A521	M143-L166 HydrophobicContact CE-CD2 4.5Å; M143-V172 HydrophobicContact SD-CG2 4.06Å; M143-I173 PolarHBondContact N-O 3.38Å; M143-I174 HydrophobicContact CB-CD1 3.77Å; M143-I174 HydrophobicContact CG-CD1 4.33Å; M143-I174 WeakPolarHBondContact O-CA 3.27Å; M143-I174 HydrophobicContact SD-CD1 4.05Å; M143-V175 PolarHBondContact O-N 2.97Å; M143-T225 CarbonylContact C-O 3.49Å; M143-T225 WeakPolarHBondContact CA-O 3.46Å; M143-F227 HydrophobicContact CB-CD1 3.95Å; M143-F227 HydrophobicContact CB-CE1 3.58Å; M143-F227 HydrophobicContact CB-CZ 4.29Å; M143-F227 HydrophobicContact CE-CD1 4.34Å; M143-F227 HydrophobicContact CE-CD2 4.29Å; M143-F227 HydrophobicContact CE-CE1 4.36Å; M143-F227 HydrophobicContact CE-CE2 4.29Å; M143-F227 HydrophobicContact CE-CG 4.34Å; M143-F227 HydrophobicContact CE-CZ 4.33Å; M143-I253 HydrophobicContact CE-CD1 4.47Å; M143-W517 HydrophobicContact CE-CB 3.83Å; M143-W517 HydrophobicContact CE-CG 4.24Å; M143-A521 HydrophobicContact CG-CB 3.58Å; M143-A521 HydrophobicContact SD-CB 3.93Å
144	V	99	Very high	93.9	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	112.1	-177	-172.7	0	0	0	0	109.6	V142 V175 M177 L207 V210 V224 T225 L226 F227	V142-V144 HydrophobicContact CG1-CG2 4.05Å; V144-V175 CarbonylContact C-O 3.57Å; V144-V175 VanDerWaalsContact CA-O 3.31Å; V144-V175 WeakPolarHBondContact CA-O 3.25Å; V144-V175 HydrophobicContact CG1-CB 4.34Å; V144-V175 HydrophobicContact CG1-CG1 4.39Å; V144-V175 HydrophobicContact CG2-CB 4.2Å; V144-M177 HydrophobicContact CG1-CE 3.31Å; V144-L207 HydrophobicContact CG1-CD2 4.05Å; V144-V210 HydrophobicContact CG2-CG1 4.21Å; V144-V210 HydrophobicContact CG2-CG2 4.45Å; V144-V224 HydrophobicContact CG2-CG1 3.72Å; V144-T225 PolarHBondContact N-O 2.86Å; V144-L226 HydrophobicContact CB-CD2 3.83Å; V144-L226 HydrophobicContact CG1-CD2 4.35Å; V144-L226 HydrophobicContact CG2-CD2 4.34Å; V144-F227 VanDerWaalsContact C-CD1 3.45Å; V144-F227 VanDerWaalsContact C-CE1 3.45Å; V144-F227 VanDerWaalsContact O-CD1 3.25Å; V144-F227 WeakPolarHBondContact O-CD1 3.23Å; V144-F227 PolarHBondContact O-N 3.06Å
145	W	99	Very high	94.9	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	129.4	-178.4	178.9	-118.9	0	0	0	111.9	Y161 V175 F227 E229 I487 Y491	W145-Y161 AromaticContact CE2-CD1 3.73Å; W145-Y161 AromaticContact CE2-CE1 3.77Å; W145-Y161 HydrophobicContact CH2-CE1 4.41Å; W145-Y161 AromaticContact CZ2-CD1 3.71Å; W145-Y161 HydrophobicContact CZ2-CD1 3.71Å; W145-Y161 AromaticContact CZ2-CE1 3.35Å; W145-Y161 HydrophobicContact CZ2-CE1 3.35Å; W145-Y161 AromaticContact CZ2-CZ 3.89Å; W145-Y161 AromaticContact NE1-CD1 3.46Å; W145-Y161 AromaticContact NE1-CD2 3.51Å; W145-Y161 AromaticContact NE1-CE1 3.7Å; W145-Y161 AromaticContact NE1-CE2 3.74Å; W145-Y161 AromaticContact NE1-CG 3.39Å; W145-Y161 AromaticContact NE1-CZ 3.85Å; W145-V175 PolarHBondContact N-O 2.92Å; W145-F227 CarbonylContact C-O 3.58Å; W145-F227 VanDerWaalsContact CA-O 3.31Å; W145-F227 WeakPolarHBondContact CA-O 3.26Å; W145-F227 HydrophobicContact CB-CD1 4.43Å; W145-F227 HydrophobicContact CB-CE1 3.71Å; W145-F227 HydrophobicContact CB-CZ 3.77Å; W145-F227 HydrophobicContact CD2-CE2 4.24Å; W145-F227 HydrophobicContact CD2-CZ 4.34Å; W145-F227 HydrophobicContact CE3-CD1 4.29Å; W145-F227 AromaticContact CE3-CD2 3.38Å; W145-F227 HydrophobicContact CE3-CD2 3.38Å; W145-F227 HydrophobicContact CE3-CE1 4.24Å; W145-F227 AromaticContact CE3-CE2 3.34Å; W145-F227 HydrophobicContact CE3-CE2 3.34Å; W145-F227 AromaticContact CE3-CG 3.87Å; W145-F227 HydrophobicContact CE3-CG 3.87Å; W145-F227 AromaticContact CE3-CZ 3.8Å; W145-F227 HydrophobicContact CE3-CZ 3.8Å; W145-F227 VanDerWaalsContact CE3-O 3.31Å; W145-F227 HydrophobicContact CG-CZ 4.39Å; W145-F227 AromaticContact CZ3-CD2 3.67Å; W145-F227 HydrophobicContact CZ3-CD2 3.67Å; W145-F227 AromaticContact CZ3-CE2 3.87Å; W145-F227 HydrophobicContact CZ3-CE2 3.87Å; W145-F227 HydrophobicContact CZ3-CG 4.37Å; W145-F227 VanDerWaalsContact N-CE1 3.31Å; W145-E229 HydrophobicContact CH2-CB 3.64Å; W145-E229 HydrophobicContact CZ2-CB 4.38Å; W145-E229 HydrophobicContact CZ3-CB 4.45Å; W145-I487 HydrophobicContact CH2-CD1 4.14Å; W145-I487 HydrophobicContact CH2-CG1 4.28Å; W145-I487 HydrophobicContact CZ2-CD1 4.23Å; W145-Y491 WeakPolarHBondContact CB-OH 3.48Å; W145-Y491 HydrophobicContact CD2-CE2 4.2Å; W145-Y491 HydrophobicContact CE3-CE2 4.25Å; W145-Y491 HydrophobicContact CZ3-CE2 4.4Å
146	V	99	Very high	96	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.006	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	112.8	168.8	-168.8	0	0	0	0	108	M177 Y179 Q203 F227 G228 G232 V236	V146-M177 HydrophobicContact CG2-CE 4.13Å; V146-M177 HydrophobicContact CG2-SD 4.1Å; V146-Y179 HydrophobicContact CG1-CD1 4.33Å; V146-Y179 HydrophobicContact CG1-CE1 3.81Å; V146-Q203 HydrophobicContact CG1-CG 4.42Å; V146-F227 PolarHBondContact N-O 3.23Å; V146-G228 WeakPolarHBondContact O-CA 3.39Å; V146-G232 WeakPolarHBondContact O-CA 3.37Å; V146-V236 HydrophobicContact CB-CG2 4.3Å; V146-V236 HydrophobicContact CG2-CG2 3.97Å
147	Y	98.9	Very high	96.9	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	12%	0.122	C	C	.	.			trans	-71.1	151.3	-178.6	59.2	-106.7	0	0	0	112.7	G154 S156 M177 Y179 V181 G232	Y147-G154 WeakPolarHBondContact CE2-O 3.09Å; Y147-S156 VanDerWaalsContact CD1-N 3.33Å; Y147-M177 WeakPolarHBondContact CE1-O 3.23Å; Y147-Y179 HydrophobicContact CD1-CD1 4.49Å; Y147-Y179 HydrophobicContact CD1-CE1 4.12Å; Y147-Y179 AromaticContact CD2-CE1 3.56Å; Y147-Y179 HydrophobicContact CD2-CE1 3.56Å; Y147-Y179 AromaticContact CD2-CZ 3.85Å; Y147-Y179 AromaticContact CE1-CD1 3.93Å; Y147-Y179 HydrophobicContact CE1-CD1 3.93Å; Y147-Y179 AromaticContact CE1-CE1 3.89Å; Y147-Y179 HydrophobicContact CE1-CE1 3.89Å; Y147-Y179 AromaticContact CE2-CD1 3.92Å; Y147-Y179 HydrophobicContact CE2-CD1 3.92Å; Y147-Y179 AromaticContact CE2-CE1 3.27Å; Y147-Y179 HydrophobicContact CE2-CE1 3.27Å; Y147-Y179 HydrophobicContact CE2-CE2 4.27Å; Y147-Y179 AromaticContact CE2-CZ 3.48Å; Y147-Y179 VanDerWaalsContact CE2-CZ 3.48Å; Y147-Y179 AromaticContact CG-CE1 3.98Å; Y147-Y179 HydrophobicContact CG-CE1 3.98Å; Y147-Y179 AromaticContact CZ-CD1 3.59Å; Y147-Y179 AromaticContact CZ-CE1 3.45Å; Y147-Y179 VanDerWaalsContact CZ-CE1 3.45Å; Y147-Y179 PolarHBondContact O-OH 2.88Å; Y147-Y179 PolarHBondContact OH-N 3.23Å; Y147-Y179 PolarHBondContact OH-O 2.85Å; Y147-V181 HydrophobicContact CE2-CG1 3.94Å; Y147-G232 WeakPolarHBondContact O-CA 3.35Å; Y147-G232 PolarHBondContact O-N 3.44Å
148	G	98.8	Very high	97.9	Very high	4 Å²	4	16.7 Å²	16.7	4%	0.041	8%	0.078	C	C	.	.			trans	-84.3	-173.7	168.8	0	0	0	0	0	114	E229 S231	G148-E229 WeakPolarHBondContact CA-O 3.3Å; G148-E229 PolarHBondContact N-O 2.78Å; G148-S231 WeakPolarHBondContact CA-OG 3.43Å
149	G	98.3	Very high	98.3	Very high	20 Å²	20	15 Å²	15	21%	0.206	8%	0.077	C	C	.	.	S	Bend	trans	135.3	29.3	-176.4	0	0	0	0	0	114	F151 W152 S153 S231	G149-F151 PolarHBondContact O-N 3.31Å; G149-W152 PolarHBondContact O-N 2.81Å; G149-W152 PolarHBondContact O-NE1 2.87Å; G149-S153 PolarHBondContact O-N 2.9Å; G149-S153 PolarHBondContact O-OG 2.69Å; G149-S231 PolarHBondContact N-OG 3.15Å; G149-S231 VanDerWaalsContact N-OG 3.09Å
150	G	97.8	Very high	98.4	Very high	3 Å²	3	10 Å²	10	3%	0.031	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	56	26.1	178.4	0	0	0	0	0	114.4	W152 S231 F323	G150-W152 PolarHBondContact O-N 3.07Å; G150-S231 PolarHBondContact N-OG 3.11Å; G150-F323 WeakPolarHBondContact O-CB 3.23Å; G150-F323 WeakPolarHBondContact O-CD2 3.17Å; G150-F323 WeakPolarHBondContact O-CG 3.2Å
151	F	98.7	Very high	98.5	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.1	-0.2	-170.6	-60.9	-73.5	0	0	0	116.4	G149 V181 S182 F186 S231 A234 S235 W263 V326 P327	G149-F151 PolarHBondContact O-N 3.31Å; F151-V181 CarbonylContact O-C 3.54Å; F151-V181 WeakPolarHBondContact O-CA 3.39Å; F151-V181 WeakPolarHBondContact O-CB 3.39Å; F151-S182 PolarHBondContact O-N 3.14Å; F151-F186 HydrophobicContact CB-CD2 4Å; F151-F186 HydrophobicContact CB-CE2 3.72Å; F151-F186 HydrophobicContact CB-CZ 4.25Å; F151-F186 HydrophobicContact CD1-CE1 4.05Å; F151-F186 AromaticContact CD1-CE2 3.72Å; F151-F186 HydrophobicContact CD1-CE2 3.72Å; F151-F186 AromaticContact CD1-CZ 3.39Å; F151-F186 HydrophobicContact CD1-CZ 3.39Å; F151-F186 HydrophobicContact CE1-CE1 4.44Å; F151-F186 HydrophobicContact CE1-CZ 4.04Å; F151-F186 HydrophobicContact CG-CE2 4.14Å; F151-F186 HydrophobicContact CG-CZ 4.17Å; F151-S231 WeakPolarHBondContact CZ-O 3.36Å; F151-S231 PolarHBondContact N-OG 2.86Å; F151-A234 HydrophobicContact CE2-CB 4.24Å; F151-A234 HydrophobicContact CZ-CB 3.94Å; F151-S235 WeakPolarHBondContact CE1-OG 3.21Å; F151-W263 HydrophobicContact CE2-CE3 4.48Å; F151-W263 HydrophobicContact CE2-CZ3 4.09Å; F151-V326 HydrophobicContact CB-CG1 4.3Å; F151-V326 HydrophobicContact CD2-CB 4.19Å; F151-V326 HydrophobicContact CD2-CG1 3.96Å; F151-P327 HydrophobicContact CD1-CG 4.24Å; F151-P327 HydrophobicContact CD2-CG 4.47Å; F151-P327 HydrophobicContact CE1-CG 3.74Å; F151-P327 HydrophobicContact CE2-CG 4.02Å; F151-P327 HydrophobicContact CZ-CG 3.62Å
152	W	97.6	Very high	98.5	Very high	45 Å²	45	11.7 Å²	11.7	17%	0.17	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	-21.3	-179.4	72	-89.1	0	0	0	113.4	Q96 S97 G149 G150 W315 F323	Q96-W152 WeakPolarHBondContact CB-O 3.5Å; S97-W152 WeakPolarHBondContact O-CZ3 3.31Å; G149-W152 PolarHBondContact O-N 2.81Å; G149-W152 PolarHBondContact O-NE1 2.87Å; G150-W152 PolarHBondContact O-N 3.07Å; W152-W315 HydrophobicContact CB-CZ2 4.5Å; W152-W315 HydrophobicContact CD2-CH2 4.33Å; W152-W315 AromaticContact CD2-CZ2 3.66Å; W152-W315 HydrophobicContact CD2-CZ2 3.66Å; W152-W315 AromaticContact CE2-CZ2 3.92Å; W152-W315 AromaticContact CE3-CZ2 3.99Å; W152-W315 HydrophobicContact CE3-CZ2 3.99Å; W152-W315 HydrophobicContact CG-CH2 4.24Å; W152-W315 AromaticContact CG-CZ2 3.87Å; W152-W315 HydrophobicContact CG-CZ2 3.87Å; W152-W315 HydrophobicContact CZ2-CZ2 4.48Å; W152-F323 AromaticContact CD1-CD1 3.55Å; W152-F323 AromaticContact CD1-CE1 3.91Å; W152-F323 AromaticContact NE1-CD1 3.9Å; W152-F323 AromaticContact NE1-CE1 3.83Å
153	S	98.4	Very high	98.4	Very high	16 Å²	16	11.7 Å²	11.7	11%	0.112	7%	0.068	C	C	.	.	S	Bend	trans	-139.4	-177.2	179.1	63	0	0	0	0	112	Q96 G149	Q96-S153 VanDerWaalsContact OE1-CA 3.28Å; G149-S153 PolarHBondContact O-N 2.9Å; G149-S153 PolarHBondContact O-OG 2.69Å
154	G	98.6	Very high	98.4	Very high	3 Å²	3	13.5 Å²	13.5	3%	0.031	8%	0.076	C	C	.	.			trans	110.8	155.4	179.6	0	0	0	0	0	113	Q96 Y147	Q96-G154 PolarHBondContact NE2-O 2.99Å; Q96-G154 PolarHBondContact OE1-O 3.35Å; Y147-G154 WeakPolarHBondContact CE2-O 3.09Å
155	T	98.9	Very high	98.4	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.079	C	C	.	.			trans	-156	149.2	175.4	179.7	0	0	0	0	110.6	S93 A113 S157 L158 Y161 N178	S93-T155 VanDerWaalsContact OG-CB 3.28Å; S93-T155 WeakPolarHBondContact OG-CB 3.31Å; S93-T155 WeakPolarHBondContact OG-CG2 3.28Å; S93-T155 PolarHBondContact OG-OG1 2.94Å; A113-T155 HydrophobicContact CB-CG2 4.49Å; T155-S157 VanDerWaalsContact CG2-OG 3.29Å; T155-S157 WeakPolarHBondContact CG2-OG 3.12Å; T155-S157 PolarHBondContact O-N 3.31Å; T155-S157 PolarHBondContact OG1-N 2.86Å; T155-S157 PolarHBondContact OG1-OG 3.49Å; T155-L158 HydrophobicContact CG2-CD2 3.57Å; T155-L158 HydrophobicContact CG2-CG 3.68Å; T155-Y161 WeakPolarHBondContact O-CD2 3.16Å; T155-Y161 WeakPolarHBondContact O-CE2 3.05Å; T155-N178 PolarHBondContact OG1-OD1 2.89Å
156	S	98.7	Very high	98.3	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.007	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-9.8	175.6	63.9	0	0	0	0	113.7	N125 Y147 S176 N178	N125-S156 PolarHBondContact ND2-OG 3.44Å; Y147-S156 VanDerWaalsContact CD1-N 3.33Å; S156-S176 WeakPolarHBondContact CB-OG 3.46Å; S156-N178 VanDerWaalsContact CB-OD1 3.28Å; S156-N178 WeakPolarHBondContact CB-OD1 3.43Å; S156-N178 PolarHBondContact N-OD1 3.25Å; S156-N178 PolarHBondContact OG-OD1 3.01Å
157	S	98.7	Very high	98.3	Very high	3 Å²	3	14 Å²	14	2%	0.021	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-5.4	-176.7	62.2	0	0	0	0	114.9	N114 T155	N114-S157 PolarHBondContact ND2-O 3.46Å; N114-S157 WeakPolarHBondContact OD1-CB 3.04Å; N114-S157 PolarHBondContact OD1-O 3.06Å; N114-S157 PolarHBondContact OD1-OG 3.02Å; T155-S157 VanDerWaalsContact CG2-OG 3.29Å; T155-S157 WeakPolarHBondContact CG2-OG 3.12Å; T155-S157 PolarHBondContact O-N 3.31Å; T155-S157 PolarHBondContact OG1-N 2.86Å; T155-S157 PolarHBondContact OG1-OG 3.49Å
158	L	98.6	Very high	98.2	Very high	4 Å²	4	14.7 Å²	14.7	2%	0.021	8%	0.083	C	C	.	.			trans	-59.7	141.6	-179.2	-62.2	-174.6	0	0	0	111.5	W111 N112 T155 V160 Y161	W111-L158 HydrophobicContact CE3-CD1 4.11Å; N112-L158 WeakPolarHBondContact O-CD2 3.41Å; T155-L158 HydrophobicContact CG2-CD2 3.57Å; T155-L158 HydrophobicContact CG2-CG 3.68Å; L158-V160 HydrophobicContact CB-CG1 4.2Å; L158-V160 PolarHBondContact O-N 3.04Å; L158-Y161 HydrophobicContact CB-CD2 3.73Å; L158-Y161 HydrophobicContact CB-CE2 3.89Å; L158-Y161 HydrophobicContact CB-CG 4.41Å; L158-Y161 HydrophobicContact CD1-CD2 4.4Å; L158-Y161 HydrophobicContact CD1-CE2 3.68Å; L158-Y161 HydrophobicContact CG-CD2 4.28Å; L158-Y161 HydrophobicContact CG-CE2 4.02Å; L158-Y161 PolarHBondContact O-N 2.77Å
159	D	97.2	Very high	98.1	Very high	80 Å²	80	17.9 Å²	17.9	43%	0.428	10%	0.097	S	C	.	.	G	3₁₀ helix	trans	-58.5	-34.4	-176.9	-70.2	0.2	0	0	0	112.6	N114 Y161 D162 R499	N114-D159 PolarHBondContact ND2-OD1 2.62Å; D159-Y161 PolarHBondContact O-N 3.01Å; D159-D162 WeakPolarHBondContact O-CB 3.33Å; D159-D162 PolarHBondContact O-N 3.35Å; D159-D162 VanDerWaalsContact O-N 3.12Å; D159-R499 IonicContact OD2-CZ 3.72Å; D159-R499 VanDerWaalsContact OD2-CZ 3.25Å; D159-R499 IonicContact OD2-NH1 2.68Å; D159-R499 PolarHBondContact OD2-NH1 3.11Å; D159-R499 IonicContact OD2-NH2 4Å; D159-R499 PolarHBondContact OD2-NH2 3.2Å
160	V	97.7	Very high	98	Very high	9 Å²	9	17.9 Å²	17.9	6%	0.055	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-66.7	-15.3	178.8	72.4	0	0	0	0	112.8	M110 W111 L158 I487 N488 Y491	M110-V160 HydrophobicContact CE-CG2 4.38Å; W111-V160 HydrophobicContact CH2-CG1 4.37Å; W111-V160 HydrophobicContact CZ3-CG1 3.82Å; L158-V160 HydrophobicContact CB-CG1 4.2Å; L158-V160 PolarHBondContact O-N 3.04Å; V160-I487 HydrophobicContact CG1-CG2 4.45Å; V160-I487 HydrophobicContact CG2-CB 4.34Å; V160-I487 HydrophobicContact CG2-CG2 3.84Å; V160-N488 HydrophobicContact CG2-CB 4.47Å; V160-Y491 VanDerWaalsContact O-CB 3.31Å; V160-Y491 WeakPolarHBondContact O-CB 3.4Å; V160-Y491 WeakPolarHBondContact O-CD2 3.21Å
161	Y	98.6	Very high	97.9	Very high	5 Å²	5	21.1 Å²	21.1	2%	0.02	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-102.8	15.7	176.1	-50	-36.1	0	0	0	113	W145 T155 L158 D159 G163 I487 Y491	W145-Y161 AromaticContact CE2-CD1 3.73Å; W145-Y161 AromaticContact CE2-CE1 3.77Å; W145-Y161 HydrophobicContact CH2-CE1 4.41Å; W145-Y161 AromaticContact CZ2-CD1 3.71Å; W145-Y161 HydrophobicContact CZ2-CD1 3.71Å; W145-Y161 AromaticContact CZ2-CE1 3.35Å; W145-Y161 HydrophobicContact CZ2-CE1 3.35Å; W145-Y161 AromaticContact CZ2-CZ 3.89Å; W145-Y161 AromaticContact NE1-CD1 3.46Å; W145-Y161 AromaticContact NE1-CD2 3.51Å; W145-Y161 AromaticContact NE1-CE1 3.7Å; W145-Y161 AromaticContact NE1-CE2 3.74Å; W145-Y161 AromaticContact NE1-CG 3.39Å; W145-Y161 AromaticContact NE1-CZ 3.85Å; T155-Y161 WeakPolarHBondContact O-CD2 3.16Å; T155-Y161 WeakPolarHBondContact O-CE2 3.05Å; L158-Y161 HydrophobicContact CB-CD2 3.73Å; L158-Y161 HydrophobicContact CB-CE2 3.89Å; L158-Y161 HydrophobicContact CB-CG 4.41Å; L158-Y161 HydrophobicContact CD1-CD2 4.4Å; L158-Y161 HydrophobicContact CD1-CE2 3.68Å; L158-Y161 HydrophobicContact CG-CD2 4.28Å; L158-Y161 HydrophobicContact CG-CE2 4.02Å; L158-Y161 PolarHBondContact O-N 2.77Å; D159-Y161 PolarHBondContact O-N 3.01Å; Y161-G163 PolarHBondContact O-N 2.91Å; Y161-I487 HydrophobicContact CD1-CG2 3.75Å; Y161-I487 HydrophobicContact CE1-CD1 3.94Å; Y161-I487 HydrophobicContact CE1-CG2 3.65Å; Y161-Y491 HydrophobicContact CD1-CE2 4.13Å; Y161-Y491 VanDerWaalsContact O-CE1 3.24Å; Y161-Y491 WeakPolarHBondContact O-CE1 3.32Å
162	D	97.6	Very high	97.9	Very high	52 Å²	52	21.1 Å²	21.1	28%	0.278	11%	0.108	S	C	.	.			trans	-62.6	103.3	177.3	-174.1	-11.1	0	0	0	111.1	D159 K164 Y491	D159-D162 WeakPolarHBondContact O-CB 3.33Å; D159-D162 PolarHBondContact O-N 3.35Å; D159-D162 VanDerWaalsContact O-N 3.12Å; D162-K164 PolarHBondContact O-N 3.15Å; D162-K164 VanDerWaalsContact O-N 3.09Å; D162-K164 WeakPolarHBondContact OD1-CB 3.23Å; D162-K164 WeakPolarHBondContact OD1-CE 3.35Å; D162-K164 VanDerWaalsContact OD1-CG 3.3Å; D162-K164 WeakPolarHBondContact OD1-CG 3.41Å; D162-K164 PolarHBondContact OD1-N 3.32Å; D162-K164 VanDerWaalsContact OD1-N 3.08Å; D162-K164 IonicContact OD1-NZ 2.74Å; D162-K164 PolarHBondContact OD1-NZ 2.8Å; D162-K164 WeakPolarHBondContact OD2-CE 3.49Å; D162-K164 IonicContact OD2-NZ 3.37Å; D162-K164 PolarHBondContact OD2-NZ 2.89Å; D162-Y491 WeakPolarHBondContact O-CD1 3.16Å
163	G	98	Very high	97.9	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-8.6	-174.9	0	0	0	0	0	115.2	Y161 I165 C167	Y161-G163 PolarHBondContact O-N 2.91Å; G163-I165 PolarHBondContact O-N 2.97Å; G163-C167 WeakPolarHBondContact O-CB 3.44Å; G163-C167 PolarHBondContact O-N 3.46Å
164	K	98.1	Very high	97.9	Very high	37 Å²	37	18.2 Å²	18.2	16%	0.161	10%	0.095	C	C	.	.	H	α-helix	trans	-56	-51.2	-172.3	-79.9	-172.8	-73.7	-73	0	113.7	T46 V54 E56 D162 S168	T46-K164 HydrophobicContact CG2-CD 3.79Å; V54-K164 HydrophobicContact CB-CG 4.31Å; V54-K164 HydrophobicContact CG1-CG 4.1Å; V54-K164 HydrophobicContact CG2-CB 4.27Å; V54-K164 HydrophobicContact CG2-CG 4.33Å; E56-K164 WeakPolarHBondContact OE1-CD 3.38Å; E56-K164 VanDerWaalsContact OE1-CG 3.23Å; E56-K164 WeakPolarHBondContact OE1-CG 3.49Å; E56-K164 IonicContact OE1-NZ 3.98Å; E56-K164 PolarHBondContact OE1-NZ 3.11Å; D162-K164 PolarHBondContact O-N 3.15Å; D162-K164 VanDerWaalsContact O-N 3.09Å; D162-K164 WeakPolarHBondContact OD1-CB 3.23Å; D162-K164 WeakPolarHBondContact OD1-CE 3.35Å; D162-K164 VanDerWaalsContact OD1-CG 3.3Å; D162-K164 WeakPolarHBondContact OD1-CG 3.41Å; D162-K164 PolarHBondContact OD1-N 3.32Å; D162-K164 VanDerWaalsContact OD1-N 3.08Å; D162-K164 IonicContact OD1-NZ 2.74Å; D162-K164 PolarHBondContact OD1-NZ 2.8Å; D162-K164 WeakPolarHBondContact OD2-CE 3.49Å; D162-K164 IonicContact OD2-NZ 3.37Å; D162-K164 PolarHBondContact OD2-NZ 2.89Å; K164-S168 WeakPolarHBondContact O-CB 3.34Å; K164-S168 PolarHBondContact O-N 2.9Å; K164-S168 PolarHBondContact O-OG 3.04Å
165	I	98.4	Very high	97.9	Very high	13 Å²	13	18.1 Å²	18.1	7%	0.067	9%	0.094	C	C	.	.	H	α-helix	trans	-71.1	-49	-173.2	-63	172.5	0	0	0	110.4	A49 G163 C167 S168 Q169 G492 L495 N496 M514	A49-I165 HydrophobicContact CB-CD1 4.2Å; G163-I165 PolarHBondContact O-N 2.97Å; I165-C167 VanDerWaalsContact C-N 3.32Å; I165-C167 PolarHBondContact O-N 2.84Å; I165-S168 PolarHBondContact O-N 3.09Å; I165-S168 PolarHBondContact O-OG 3Å; I165-Q169 WeakPolarHBondContact O-CB 3.24Å; I165-Q169 PolarHBondContact O-N 2.81Å; I165-G492 VanDerWaalsContact CD1-O 3.26Å; I165-G492 WeakPolarHBondContact CD1-O 3.28Å; I165-L495 HydrophobicContact CD1-CB 4.45Å; I165-L495 HydrophobicContact CG2-CB 4.22Å; I165-L495 HydrophobicContact CG2-CD1 3.98Å; I165-N496 HydrophobicContact CD1-CB 4.14Å; I165-M514 HydrophobicContact CG2-CE 4.29Å; I165-M514 HydrophobicContact CG2-SD 4.04Å
166	L	98.5	Very high	97.9	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-57.5	-47	177.2	174.8	61	0	0	0	111.3	M143 Q170 I174 M514	M143-L166 HydrophobicContact CE-CD2 4.5Å; L166-Q170 HydrophobicContact CD1-CG 3.97Å; L166-Q170 WeakPolarHBondContact O-CB 3.16Å; L166-Q170 PolarHBondContact O-N 3.27Å; L166-I174 HydrophobicContact CD2-CD1 3.6Å; L166-I174 HydrophobicContact CD2-CG1 4.24Å; L166-I174 HydrophobicContact CG-CD1 3.87Å; L166-I174 HydrophobicContact CG-CG1 4.29Å; L166-M514 HydrophobicContact CB-SD 4.28Å; L166-M514 HydrophobicContact CD1-CB 3.83Å; L166-M514 HydrophobicContact CD1-CG 3.75Å; L166-M514 HydrophobicContact CD1-SD 4.19Å
167	C	97.8	Very high	97.9	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-56.2	-55.9	176.9	172.7	0	0	0	0	112.3	W127 P129 G163 I165 D171 V172 I174	W127-C167 VanDerWaalsContact C-SG 3.53Å; W127-C167 HydrophobicContact CB-CB 3.92Å; W127-C167 PolarHBondContact O-SG 3.31Å; W127-C167 VanDerWaalsContact O-SG 3.39Å; P129-C167 WeakPolarHBondContact CD-SG 3.29Å; G163-C167 WeakPolarHBondContact O-CB 3.44Å; G163-C167 PolarHBondContact O-N 3.46Å; I165-C167 VanDerWaalsContact C-N 3.32Å; I165-C167 PolarHBondContact O-N 2.84Å; C167-D171 PolarHBondContact O-N 2.84Å; C167-D171 VanDerWaalsContact O-N 3.11Å; C167-V172 WeakPolarHBondContact CA-O 3.4Å; C167-V172 PolarHBondContact O-N 2.85Å; C167-V172 PolarHBondContact SG-O 3.08Å; C167-I174 HydrophobicContact CB-CG1 3.94Å
168	S	96.8	Very high	98	Very high	14 Å²	14	18 Å²	18	10%	0.098	9%	0.093	C	C	.	.	H	α-helix	trans	-72.5	-34.7	-173.2	67	0	0	0	0	113.2	S48 Q52 K164 I165	S48-S168 PolarHBondContact OG-OG 3.33Å; Q52-S168 VanDerWaalsContact OE1-C 3.23Å; Q52-S168 VanDerWaalsContact OE1-CB 3.3Å; Q52-S168 PolarHBondContact OE1-O 3.19Å; Q52-S168 PolarHBondContact OE1-OG 2.88Å; K164-S168 WeakPolarHBondContact O-CB 3.34Å; K164-S168 PolarHBondContact O-N 2.9Å; K164-S168 PolarHBondContact O-OG 3.04Å; I165-S168 PolarHBondContact O-N 3.09Å; I165-S168 PolarHBondContact O-OG 3Å
169	Q	96.4	Very high	98	Very high	70 Å²	70	17.9 Å²	17.9	33%	0.327	9%	0.092	S	C	.	.	H	α-helix	trans	-74.8	-34.5	-176.7	-168.9	75.2	17.1	0	0	111.6	N50 I165 M514	N50-Q169 PolarHBondContact ND2-OE1 3.01Å; I165-Q169 WeakPolarHBondContact O-CB 3.24Å; I165-Q169 PolarHBondContact O-N 2.81Å; Q169-M514 HydrophobicContact CB-CE 4.31Å; Q169-M514 HydrophobicContact CB-SD 4.39Å; Q169-M514 HydrophobicContact CG-CE 3.93Å
170	Q	97.2	Very high	98.1	Very high	21 Å²	21	14.3 Å²	14.3	10%	0.098	7%	0.072	C	C	.	.	H	α-helix	trans	-108	-1.1	-171.5	-60.4	-61.5	-30.1	0	0	114.8	L166 V172 M514 S515 A518 R522	L166-Q170 HydrophobicContact CD1-CG 3.97Å; L166-Q170 WeakPolarHBondContact O-CB 3.16Å; L166-Q170 PolarHBondContact O-N 3.27Å; Q170-V172 HydrophobicContact CB-CG1 4.16Å; Q170-V172 HydrophobicContact CB-CG2 4.23Å; Q170-V172 WeakPolarHBondContact O-CG1 3.35Å; Q170-V172 PolarHBondContact O-N 2.83Å; Q170-M514 HydrophobicContact CG-CB 3.85Å; Q170-S515 PolarHBondContact NE2-OG 2.85Å; Q170-A518 HydrophobicContact CB-CB 3.45Å; Q170-A518 VanDerWaalsContact CB-CB 3.45Å; Q170-A518 HydrophobicContact CG-CB 3.76Å; Q170-R522 PolarHBondContact O-NH2 2.73Å
171	D	95.5	Very high	98.1	Very high	71 Å²	71	13.9 Å²	13.9	38%	0.38	7%	0.07	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	53.7	-178.6	-158.8	17.4	0	0	0	111.5	P129 R138 C167	P129-D171 VanDerWaalsContact CG-OD1 3.24Å; P129-D171 WeakPolarHBondContact CG-OD1 3.48Å; R138-D171 IonicContact CZ-OD2 2.84Å; R138-D171 IonicContact NH2-OD2 3.75Å; R138-D171 PolarHBondContact NH2-OD2 2.78Å; C167-D171 PolarHBondContact O-N 2.84Å; C167-D171 VanDerWaalsContact O-N 3.11Å
172	V	97.8	Very high	98.1	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.069	C	C	.	.			trans	-129.3	153.7	177.5	-55.1	0	0	0	0	109.3	P141 M143 C167 Q170 I174 A518	P141-V172 HydrophobicContact CG-CB 4.29Å; P141-V172 HydrophobicContact CG-CG1 3.74Å; M143-V172 HydrophobicContact SD-CG2 4.06Å; C167-V172 WeakPolarHBondContact CA-O 3.4Å; C167-V172 PolarHBondContact O-N 2.85Å; C167-V172 PolarHBondContact SG-O 3.08Å; Q170-V172 HydrophobicContact CB-CG1 4.16Å; Q170-V172 HydrophobicContact CB-CG2 4.23Å; Q170-V172 WeakPolarHBondContact O-CG1 3.35Å; Q170-V172 PolarHBondContact O-N 2.83Å; V172-I174 HydrophobicContact CG2-CD1 3.75Å; V172-I174 HydrophobicContact CG2-CG1 4.43Å; V172-A518 HydrophobicContact CG1-CB 3.8Å
173	I	98.4	Very high	98.1	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	129.6	171.3	-68	178	0	0	0	108.8	I126 W127 V128 L140 P141 V142 M143 V175 I214 F217 G219	I126-I173 HydrophobicContact CG2-CG2 3.83Å; W127-I173 WeakPolarHBondContact O-CA 3.26Å; V128-I173 HydrophobicContact CG1-CG1 4.5Å; V128-I173 HydrophobicContact CG2-CD1 4.42Å; V128-I173 HydrophobicContact CG2-CG1 4.46Å; L140-I173 HydrophobicContact CB-CD1 4.36Å; L140-I173 HydrophobicContact CB-CG1 4.16Å; L140-I173 HydrophobicContact CD1-CG1 4.11Å; P141-I173 PolarHBondContact O-N 3.28Å; V142-I173 CarbonylContact C-O 3.42Å; V142-I173 WeakPolarHBondContact CA-O 3.12Å; V142-I173 HydrophobicContact CG1-CG2 4.37Å; V142-I173 HydrophobicContact CG2-CB 4.38Å; M143-I173 PolarHBondContact N-O 3.38Å; I173-V175 HydrophobicContact CG2-CG2 4.17Å; I173-I214 HydrophobicContact CG2-CD1 4.01Å; I173-I214 HydrophobicContact CG2-CG1 4.47Å; I173-F217 WeakPolarHBondContact CD1-O 3.23Å; I173-G219 VanDerWaalsContact CD1-CA 3.46Å; I173-G219 VanDerWaalsContact CD1-N 3.27Å
174	I	98.9	Very high	98.1	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	130.6	172.5	-54.9	-55.3	0	0	0	108.5	I126 W127 M143 L166 C167 V172 Y491	I126-I174 WeakPolarHBondContact CA-O 3.49Å; W127-I174 HydrophobicContact CB-CB 4.34Å; W127-I174 HydrophobicContact CE3-CB 4.1Å; W127-I174 HydrophobicContact CE3-CG2 3.95Å; W127-I174 HydrophobicContact CZ3-CG2 4.33Å; W127-I174 PolarHBondContact N-O 3.1Å; W127-I174 PolarHBondContact O-N 2.9Å; W127-I174 VanDerWaalsContact O-N 3.14Å; M143-I174 HydrophobicContact CB-CD1 3.77Å; M143-I174 HydrophobicContact CG-CD1 4.33Å; M143-I174 WeakPolarHBondContact O-CA 3.27Å; M143-I174 HydrophobicContact SD-CD1 4.05Å; L166-I174 HydrophobicContact CD2-CD1 3.6Å; L166-I174 HydrophobicContact CD2-CG1 4.24Å; L166-I174 HydrophobicContact CG-CD1 3.87Å; L166-I174 HydrophobicContact CG-CG1 4.29Å; C167-I174 HydrophobicContact CB-CG1 3.94Å; V172-I174 HydrophobicContact CG2-CD1 3.75Å; V172-I174 HydrophobicContact CG2-CG1 4.43Å; I174-Y491 HydrophobicContact CG2-CE1 4.45Å
175	V	99	Very high	98.1	Very high	1 Å²	1	9.6 Å²	9.6	1%	0.006	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	137.5	169.2	-177.4	0	0	0	0	108.1	L124 N125 I126 V142 M143 V144 W145 I173 V210 I214	L124-V175 HydrophobicContact CB-CG1 4.48Å; L124-V175 HydrophobicContact CD1-CG1 4.43Å; N125-V175 CarbonylContact O-C 3.51Å; N125-V175 VanDerWaalsContact O-CA 3.23Å; N125-V175 WeakPolarHBondContact O-CA 3.46Å; I126-V175 HydrophobicContact CG1-CG2 4.42Å; I126-V175 HydrophobicContact CG2-CG2 4.39Å; V142-V175 HydrophobicContact CG1-CG2 3.88Å; M143-V175 PolarHBondContact O-N 2.97Å; V144-V175 CarbonylContact C-O 3.57Å; V144-V175 VanDerWaalsContact CA-O 3.31Å; V144-V175 WeakPolarHBondContact CA-O 3.25Å; V144-V175 HydrophobicContact CG1-CB 4.34Å; V144-V175 HydrophobicContact CG1-CG1 4.39Å; V144-V175 HydrophobicContact CG2-CB 4.2Å; W145-V175 PolarHBondContact N-O 2.92Å; I173-V175 HydrophobicContact CG2-CG2 4.17Å; V175-V210 HydrophobicContact CB-CG2 4.48Å; V175-V210 HydrophobicContact CG1-CG2 3.85Å; V175-V210 HydrophobicContact CG2-CG2 4.38Å; V175-I214 HydrophobicContact CG2-CD1 3.75Å
176	S	98.9	Very high	98.2	Very high	1 Å²	1	9 Å²	9	1%	0.007	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	148.3	167.3	65.3	0	0	0	0	109.5	L124 N125 W127 S156	L124-S176 CarbonylContact C-O 3.54Å; L124-S176 WeakPolarHBondContact CA-O 3.28Å; L124-S176 VanDerWaalsContact CB-O 3.24Å; L124-S176 WeakPolarHBondContact CB-O 3.49Å; N125-S176 PolarHBondContact N-O 3.1Å; N125-S176 PolarHBondContact ND2-OG 3.15Å; N125-S176 VanDerWaalsContact ND2-OG 3.15Å; N125-S176 PolarHBondContact O-N 3.2Å; W127-S176 WeakPolarHBondContact CH2-OG 3.47Å; W127-S176 WeakPolarHBondContact CZ3-OG 3.49Å; S156-S176 WeakPolarHBondContact CB-OG 3.46Å
177	M	98.9	Very high	98.1	Very high	1 Å²	1	9.1 Å²	9.1	1%	0.005	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	151.2	177.8	83	-66.6	-79.5	0	0	112.1	F62 L124 V144 V146 Y147 A206 L207	F62-M177 HydrophobicContact CE1-CB 4.32Å; L124-M177 HydrophobicContact CB-CB 4.04Å; V144-M177 HydrophobicContact CG1-CE 3.31Å; V146-M177 HydrophobicContact CG2-CE 4.13Å; V146-M177 HydrophobicContact CG2-SD 4.1Å; Y147-M177 WeakPolarHBondContact CE1-O 3.23Å; M177-A206 HydrophobicContact CB-CB 3.81Å; M177-A206 HydrophobicContact CE-CB 4.23Å; M177-A206 HydrophobicContact CG-CB 3.85Å; M177-L207 HydrophobicContact CE-CD2 4.41Å
178	N	99	Very high	98.2	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.051	C	C	.	.			trans	-83.3	141.5	158	-78.6	1	0	0	0	110.5	F62 S92 C121 F123 T155 S156	F62-N178 WeakPolarHBondContact CE1-O 3.45Å; F62-N178 WeakPolarHBondContact CZ-O 3.3Å; S92-N178 PolarHBondContact O-ND2 3.14Å; C121-N178 WeakPolarHBondContact O-CB 3.38Å; C121-N178 PolarHBondContact O-ND2 3.37Å; F123-N178 PolarHBondContact O-N 3.21Å; T155-N178 PolarHBondContact OG1-OD1 2.89Å; S156-N178 VanDerWaalsContact CB-OD1 3.28Å; S156-N178 WeakPolarHBondContact CB-OD1 3.43Å; S156-N178 PolarHBondContact N-OD1 3.25Å; S156-N178 PolarHBondContact OG-OD1 3.01Å
179	Y	99	Very high	98.2	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.046	C	C	.	.			trans	-133	148.6	169.1	63.6	-88.3	0	0	0	108.6	C94 V146 Y147 V181 F186 Q203	C94-Y179 PolarHBondContact SG-O 2.85Å; C94-Y179 VanDerWaalsContact SG-O 3.37Å; V146-Y179 HydrophobicContact CG1-CD1 4.33Å; V146-Y179 HydrophobicContact CG1-CE1 3.81Å; Y147-Y179 HydrophobicContact CD1-CD1 4.49Å; Y147-Y179 HydrophobicContact CD1-CE1 4.12Å; Y147-Y179 AromaticContact CD2-CE1 3.56Å; Y147-Y179 HydrophobicContact CD2-CE1 3.56Å; Y147-Y179 AromaticContact CD2-CZ 3.85Å; Y147-Y179 AromaticContact CE1-CD1 3.93Å; Y147-Y179 HydrophobicContact CE1-CD1 3.93Å; Y147-Y179 AromaticContact CE1-CE1 3.89Å; Y147-Y179 HydrophobicContact CE1-CE1 3.89Å; Y147-Y179 AromaticContact CE2-CD1 3.92Å; Y147-Y179 HydrophobicContact CE2-CD1 3.92Å; Y147-Y179 AromaticContact CE2-CE1 3.27Å; Y147-Y179 HydrophobicContact CE2-CE1 3.27Å; Y147-Y179 HydrophobicContact CE2-CE2 4.27Å; Y147-Y179 AromaticContact CE2-CZ 3.48Å; Y147-Y179 VanDerWaalsContact CE2-CZ 3.48Å; Y147-Y179 AromaticContact CG-CE1 3.98Å; Y147-Y179 HydrophobicContact CG-CE1 3.98Å; Y147-Y179 AromaticContact CZ-CD1 3.59Å; Y147-Y179 AromaticContact CZ-CE1 3.45Å; Y147-Y179 VanDerWaalsContact CZ-CE1 3.45Å; Y147-Y179 PolarHBondContact O-OH 2.88Å; Y147-Y179 PolarHBondContact OH-N 3.23Å; Y147-Y179 PolarHBondContact OH-O 2.85Å; Y179-V181 HydrophobicContact CD2-CG1 4.11Å; Y179-V181 HydrophobicContact CE2-CG1 3.7Å; Y179-V181 PolarHBondContact O-N 2.84Å; Y179-F186 HydrophobicContact CE2-CZ 4.42Å; Y179-Q203 HydrophobicContact CD1-CG 3.88Å; Y179-Q203 HydrophobicContact CD2-CG 4.37Å; Y179-Q203 VanDerWaalsContact CD2-NE2 3.3Å; Y179-Q203 VanDerWaalsContact CE2-NE2 3.34Å; Y179-Q203 HydrophobicContact CG-CG 3.72Å; Y179-Q203 VanDerWaalsContact CG-NE2 3.33Å
180	R	98.9	Very high	98.1	Very high	5 Å²	5	7.9 Å²	7.9	2%	0.019	5%	0.048	C	C	.	.			trans	-62.1	131.5	177.7	-73.6	170.5	-75.2	174.5	-1.5	109.8	P66 R73 L122 F184 G185 G199 D202	P66-R180 HydrophobicContact CG-CG 4.36Å; R73-R180 VanDerWaalsContact O-CZ 3.27Å; R73-R180 PolarHBondContact O-NH1 2.92Å; R73-R180 PolarHBondContact O-NH2 2.97Å; L122-R180 HydrophobicContact CD2-CG 4.22Å; R180-F184 HydrophobicContact CB-CB 4.36Å; R180-G185 WeakPolarHBondContact O-CA 3.46Å; R180-G199 WeakPolarHBondContact O-CA 3.21Å; R180-D202 VanDerWaalsContact CB-OD2 3.25Å; R180-D202 WeakPolarHBondContact CB-OD2 3.31Å; R180-D202 WeakPolarHBondContact CG-OD2 3.36Å; R180-D202 IonicContact CZ-OD1 3.5Å; R180-D202 IonicContact CZ-OD2 3.06Å; R180-D202 PolarHBondContact N-OD2 2.93Å; R180-D202 IonicContact NE-OD1 3.64Å; R180-D202 PolarHBondContact NE-OD1 3.45Å; R180-D202 IonicContact NE-OD2 3.22Å; R180-D202 PolarHBondContact NE-OD2 3.27Å; R180-D202 IonicContact NH2-OD1 3.67Å; R180-D202 PolarHBondContact NH2-OD1 3.3Å; R180-D202 IonicContact NH2-OD2 2.84Å
181	V	98.9	Very high	98.1	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.057	C	C	.	.			trans	-109.6	179.8	175.2	-66.3	0	0	0	0	109.6	C94 Q96 Y147 F151 Y179 F184 G185	C94-V181 HydrophobicContact CB-CG2 4.39Å; Q96-V181 HydrophobicContact CB-CG2 3.91Å; Y147-V181 HydrophobicContact CE2-CG1 3.94Å; F151-V181 CarbonylContact O-C 3.54Å; F151-V181 WeakPolarHBondContact O-CA 3.39Å; F151-V181 WeakPolarHBondContact O-CB 3.39Å; Y179-V181 HydrophobicContact CD2-CG1 4.11Å; Y179-V181 HydrophobicContact CE2-CG1 3.7Å; Y179-V181 PolarHBondContact O-N 2.84Å; V181-F184 WeakPolarHBondContact O-CB 3.27Å; V181-F184 PolarHBondContact O-N 2.84Å; V181-G185 PolarHBondContact O-N 3.33Å; V181-G185 VanDerWaalsContact O-N 3.09Å
182	S	97.9	Very high	98.1	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	58.9	-158.4	175.6	161.5	0	0	0	0	110.2	F151 F184 G185 F186 E314	F151-S182 PolarHBondContact O-N 3.14Å; S182-F184 PolarHBondContact O-N 2.87Å; S182-F184 VanDerWaalsContact O-N 3.11Å; S182-G185 PolarHBondContact O-N 2.93Å; S182-G185 VanDerWaalsContact O-N 3.11Å; S182-F186 PolarHBondContact O-N 3.44Å; S182-F186 VanDerWaalsContact O-N 3.09Å; S182-E314 VanDerWaalsContact CB-OE2 3.29Å; S182-E314 WeakPolarHBondContact CB-OE2 3.29Å; S182-E314 PolarHBondContact OG-OE2 2.99Å
183	L	97.4	Very high	98	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-58.5	-22.9	176.4	69.5	133.5	0	0	0	112.5	F72 G185 L187 L278 L310 E314 W325	F72-L183 WeakPolarHBondContact CD1-O 3.48Å; F72-L183 HydrophobicContact CE1-CD1 3.79Å; F72-L183 HydrophobicContact CE1-CG 4.41Å; F72-L183 WeakPolarHBondContact CE1-O 3.3Å; F72-L183 HydrophobicContact CZ-CD1 3.94Å; L183-G185 VanDerWaalsContact C-N 3.3Å; L183-G185 PolarHBondContact O-N 3.39Å; L183-L187 WeakPolarHBondContact O-CB 3.31Å; L183-L187 PolarHBondContact O-N 2.85Å; L183-L187 VanDerWaalsContact O-N 3.11Å; L183-L278 HydrophobicContact CD1-CD2 4.23Å; L183-L310 HydrophobicContact CD1-CB 3.94Å; L183-L310 HydrophobicContact CD1-CD1 4.02Å; L183-L310 HydrophobicContact CD1-CD2 3.77Å; L183-L310 HydrophobicContact CD1-CG 4.1Å; L183-L310 HydrophobicContact CD2-CB 4.03Å; L183-E314 HydrophobicContact CD2-CB 3.81Å; L183-W325 HydrophobicContact CB-CD2 4.04Å; L183-W325 HydrophobicContact CB-CG 3.93Å
184	F	98.7	Very high	98	Very high	4 Å²	4	14.7 Å²	14.7	2%	0.018	8%	0.082	C	C	.	.	H	α-helix	trans	-69	-30.1	178.6	-57.2	-83.1	0	0	0	112.6	R71 F72 P95 R180 V181 S182 V198 V307 L310 L311	R71-F184 HydrophobicContact CG-CD1 4.17Å; F72-F184 HydrophobicContact CE1-CD1 4.1Å; P95-F184 HydrophobicContact CB-CD2 3.99Å; P95-F184 HydrophobicContact CB-CE2 3.71Å; P95-F184 HydrophobicContact CB-CZ 4.11Å; P95-F184 HydrophobicContact CG-CE2 4.48Å; R180-F184 HydrophobicContact CB-CB 4.36Å; V181-F184 WeakPolarHBondContact O-CB 3.27Å; V181-F184 PolarHBondContact O-N 2.84Å; S182-F184 PolarHBondContact O-N 2.87Å; S182-F184 VanDerWaalsContact O-N 3.11Å; F184-V198 WeakPolarHBondContact O-CG2 3.39Å; F184-V307 HydrophobicContact CE1-CG2 4.14Å; F184-V307 HydrophobicContact CE2-CG1 4.44Å; F184-V307 HydrophobicContact CZ-CB 4.27Å; F184-V307 HydrophobicContact CZ-CG1 3.88Å; F184-V307 HydrophobicContact CZ-CG2 4.13Å; F184-L310 HydrophobicContact CE1-CD1 3.94Å; F184-L310 HydrophobicContact CZ-CB 4.26Å; F184-L310 HydrophobicContact CZ-CD1 3.97Å; F184-L311 HydrophobicContact CE2-CD2 3.86Å; F184-L311 HydrophobicContact CE2-CG 4.12Å
185	G	98.8	Very high	97.9	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-95.3	-27.6	177.9	0	0	0	0	0	114.4	R180 V181 S182 L183 N197 V198 G199	R180-G185 WeakPolarHBondContact O-CA 3.46Å; V181-G185 PolarHBondContact O-N 3.33Å; V181-G185 VanDerWaalsContact O-N 3.09Å; S182-G185 PolarHBondContact O-N 2.93Å; S182-G185 VanDerWaalsContact O-N 3.11Å; L183-G185 VanDerWaalsContact C-N 3.3Å; L183-G185 PolarHBondContact O-N 3.39Å; G185-N197 CarbonylContact O-C 3.48Å; G185-V198 VanDerWaalsContact O-CG2 3.27Å; G185-V198 WeakPolarHBondContact O-CG2 3.38Å; G185-V198 PolarHBondContact O-N 2.84Å; G185-G199 PolarHBondContact O-N 3.38Å
186	F	98.7	Very high	97.9	Very high	1 Å²	1	16.2 Å²	16.2	0%	0.004	9%	0.092	C	C	.	.	H	α-helix	trans	-134.3	9.3	-162.1	-59.9	-73.9	0	0	0	114.9	F151 Y179 S182 Y188 L200 W325 P327	F151-F186 HydrophobicContact CB-CD2 4Å; F151-F186 HydrophobicContact CB-CE2 3.72Å; F151-F186 HydrophobicContact CB-CZ 4.25Å; F151-F186 HydrophobicContact CD1-CE1 4.05Å; F151-F186 AromaticContact CD1-CE2 3.72Å; F151-F186 HydrophobicContact CD1-CE2 3.72Å; F151-F186 AromaticContact CD1-CZ 3.39Å; F151-F186 HydrophobicContact CD1-CZ 3.39Å; F151-F186 HydrophobicContact CE1-CE1 4.44Å; F151-F186 HydrophobicContact CE1-CZ 4.04Å; F151-F186 HydrophobicContact CG-CE2 4.14Å; F151-F186 HydrophobicContact CG-CZ 4.17Å; Y179-F186 HydrophobicContact CE2-CZ 4.42Å; S182-F186 PolarHBondContact O-N 3.44Å; S182-F186 VanDerWaalsContact O-N 3.09Å; F186-Y188 PolarHBondContact O-N 2.93Å; F186-L200 HydrophobicContact CE1-CG 4.19Å; F186-W325 HydrophobicContact CB-CB 3.85Å; F186-P327 HydrophobicContact CD1-CG 4.1Å; F186-P327 HydrophobicContact CE1-CG 3.74Å
187	L	98.5	Very high	97.9	Very high	3 Å²	3	16.1 Å²	16.1	2%	0.016	9%	0.092	C	C	.	.			trans	-60.6	125.3	170.9	-179.5	68.8	0	0	0	110.9	F72 L183 L189 A194 G196 A275 I299 L302 W325	F72-L187 HydrophobicContact CB-CD2 4.48Å; F72-L187 HydrophobicContact CD1-CB 4.08Å; F72-L187 HydrophobicContact CD1-CD2 3.87Å; F72-L187 HydrophobicContact CD2-CD2 4.06Å; F72-L187 HydrophobicContact CE1-CD2 4.04Å; F72-L187 HydrophobicContact CE2-CD2 4.19Å; F72-L187 HydrophobicContact CG-CD2 3.87Å; F72-L187 HydrophobicContact CZ-CD2 4.18Å; L183-L187 WeakPolarHBondContact O-CB 3.31Å; L183-L187 PolarHBondContact O-N 2.85Å; L183-L187 VanDerWaalsContact O-N 3.11Å; L187-L189 HydrophobicContact CD1-CD2 4.19Å; L187-L189 HydrophobicContact CD1-CG 4.36Å; L187-L189 HydrophobicContact CD2-CD1 4.23Å; L187-L189 HydrophobicContact CD2-CG 4.38Å; L187-L189 HydrophobicContact CG-CG 4.18Å; L187-A194 HydrophobicContact CD2-CB 4.14Å; L187-A194 HydrophobicContact CG-CB 4.26Å; L187-G196 WeakPolarHBondContact O-CA 3.47Å; L187-G196 PolarHBondContact O-N 3.32Å; L187-G196 VanDerWaalsContact O-N 3.15Å; L187-A275 HydrophobicContact CD1-CB 4.26Å; L187-I299 HydrophobicContact CD2-CD1 4.18Å; L187-L302 HydrophobicContact CD2-CD1 3.89Å; L187-W325 HydrophobicContact CD1-CE3 4.4Å; L187-W325 HydrophobicContact CD1-CH2 4.31Å; L187-W325 HydrophobicContact CD1-CZ3 3.95Å
188	Y	98.3	Very high	97.9	Very high	23 Å²	23	16.2 Å²	16.2	9%	0.09	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	123.6	175.3	175.8	-92.3	0	0	0	110.4	F186 P195 Q268 L271 L272 V328	F186-Y188 PolarHBondContact O-N 2.93Å; Y188-P195 VanDerWaalsContact CD2-O 3.27Å; Y188-P195 WeakPolarHBondContact CD2-O 3.44Å; Y188-Q268 HydrophobicContact CD1-CB 4.44Å; Y188-Q268 HydrophobicContact CE1-CB 3.71Å; Y188-Q268 HydrophobicContact CE1-CG 3.84Å; Y188-Q268 HydrophobicContact CE2-CG 4.28Å; Y188-Q268 PolarHBondContact OH-NE2 3.47Å; Y188-Q268 PolarHBondContact OH-OE1 3.4Å; Y188-L271 HydrophobicContact CD1-CB 4.28Å; Y188-L271 HydrophobicContact CG-CD1 4.44Å; Y188-L272 HydrophobicContact CD1-CD2 3.98Å; Y188-L272 HydrophobicContact CD1-CG 4.05Å; Y188-L272 HydrophobicContact CE1-CD1 4.24Å; Y188-L272 HydrophobicContact CE1-CD2 3.99Å; Y188-L272 HydrophobicContact CE1-CG 3.95Å; Y188-V328 HydrophobicContact CD2-CG1 3.77Å; Y188-V328 HydrophobicContact CE2-CG1 4.41Å; Y188-V328 HydrophobicContact CG-CG1 4.24Å
189	L	97.8	Very high	97.9	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	7	175.4	-61.1	-179.3	0	0	0	113.2	L187 R191 A194 A275 F295 L298 I299	L187-L189 HydrophobicContact CD1-CD2 4.19Å; L187-L189 HydrophobicContact CD1-CG 4.36Å; L187-L189 HydrophobicContact CD2-CD1 4.23Å; L187-L189 HydrophobicContact CD2-CG 4.38Å; L187-L189 HydrophobicContact CG-CG 4.18Å; L189-R191 HydrophobicContact CB-CG 4.44Å; L189-R191 PolarHBondContact O-N 2.8Å; L189-A194 HydrophobicContact CB-CB 4.07Å; L189-A194 HydrophobicContact CD1-CB 3.94Å; L189-A194 HydrophobicContact CG-CB 3.93Å; L189-A194 PolarHBondContact N-O 3.19Å; L189-A275 HydrophobicContact CD2-CB 3.43Å; L189-A275 VanDerWaalsContact CD2-CB 3.43Å; L189-F295 HydrophobicContact CB-CB 4.36Å; L189-F295 HydrophobicContact CB-CD1 4.42Å; L189-F295 HydrophobicContact CD2-CD1 3.9Å; L189-F295 HydrophobicContact CD2-CE1 4.35Å; L189-L298 HydrophobicContact CD1-CG 4.39Å; L189-L298 HydrophobicContact CD2-CD2 3.9Å; L189-I299 HydrophobicContact CD1-CB 3.71Å; L189-I299 HydrophobicContact CD1-CD1 3.97Å; L189-I299 HydrophobicContact CD1-CG1 4.26Å
190	G	94.7	Very high	97.9	Very high	35 Å²	35	16.2 Å²	16.2	36%	0.361	9%	0.092	S	C	.	.	E	Extended strand (participates in β ladder)	trans	57.3	37.6	-171.9	0	0	0	0	0	112.3
191	R	96.1	Very high	97.9	Very high	80 Å²	80	16.8 Å²	16.8	30%	0.302	10%	0.096	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	150.3	180	-68	-63.4	179.9	-80.4	-0.9	110.5	L189 E193 A194 P195 F295 T296	L189-R191 HydrophobicContact CB-CG 4.44Å; L189-R191 PolarHBondContact O-N 2.8Å; R191-E193 PolarHBondContact O-N 3.49Å; R191-E193 VanDerWaalsContact O-N 3.12Å; R191-A194 CarbonylContact O-C 3.5Å; R191-A194 PolarHBondContact O-N 2.79Å; R191-P195 WeakPolarHBondContact O-CA 3.44Å; R191-P195 VanDerWaalsContact O-N 3.1Å; R191-F295 HydrophobicContact CG-CB 4.21Å; R191-T296 PolarHBondContact NE-OG1 2.94Å
192	P	95.3	Very high	97.9	Very high	100 Å²	100	16.8 Å²	16.8	65%	0.649	10%	0.096	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-27.3	176	-25.3	35	0	0	0	114.2
193	E	96.3	Very high	97.9	Very high	54 Å²	54	16.8 Å²	16.8	25%	0.252	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-21.8	179.3	-62.2	83	-175.6	0	0	114.2	F72 R73 R191 I299	F72-E193 CarbonylContact C-O 3.45Å; R73-E193 WeakPolarHBondContact CG-O 3.45Å; R191-E193 PolarHBondContact O-N 3.49Å; R191-E193 VanDerWaalsContact O-N 3.12Å; E193-I299 HydrophobicContact CB-CG1 3.78Å; E193-I299 HydrophobicContact CB-CG2 4.28Å
194	A	98	Very high	98	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	71.6	176.4	0	0	0	0	0	109.2	F72 L187 L189 R191 G196 I299	F72-A194 HydrophobicContact CB-CB 4.2Å; L187-A194 HydrophobicContact CD2-CB 4.14Å; L187-A194 HydrophobicContact CG-CB 4.26Å; L189-A194 HydrophobicContact CB-CB 4.07Å; L189-A194 HydrophobicContact CD1-CB 3.94Å; L189-A194 HydrophobicContact CG-CB 3.93Å; L189-A194 PolarHBondContact N-O 3.19Å; R191-A194 CarbonylContact O-C 3.5Å; R191-A194 PolarHBondContact O-N 2.79Å; A194-G196 PolarHBondContact O-N 3.42Å; A194-I299 HydrophobicContact CB-CD1 3.84Å; A194-I299 HydrophobicContact CB-CG1 4.35Å
195	P	97.6	Very high	98	Very high	33 Å²	33	17.9 Å²	17.9	21%	0.214	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	-1.8	-173.7	32.4	-35.7	0	0	0	113.5	P74 Y188 R191 V198	P74-P195 HydrophobicContact CG-CG 4.21Å; Y188-P195 VanDerWaalsContact CD2-O 3.27Å; Y188-P195 WeakPolarHBondContact CD2-O 3.44Å; R191-P195 WeakPolarHBondContact O-CA 3.44Å; R191-P195 VanDerWaalsContact O-N 3.1Å; P195-V198 HydrophobicContact CG-CG1 4.09Å
196	G	98	Very high	98	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.101	C	C	.	.	S	Bend	trans	79.1	172.7	-165.1	0	0	0	0	0	112.4	L187 A194 V198	L187-G196 WeakPolarHBondContact O-CA 3.47Å; L187-G196 PolarHBondContact O-N 3.32Å; L187-G196 VanDerWaalsContact O-N 3.15Å; A194-G196 PolarHBondContact O-N 3.42Å; G196-V198 PolarHBondContact O-N 3.46Å
197	N	98.8	Very high	98	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.101	C	C	.	.			trans	56.1	15.3	170.6	-62.8	-16.7	0	0	0	117.3	G185 G199 L200 L201 P327 V328 D330	G185-N197 CarbonylContact O-C 3.48Å; N197-G199 PolarHBondContact O-N 3.39Å; N197-L200 HydrophobicContact CB-CB 4.47Å; N197-L200 HydrophobicContact CB-CD1 4.15Å; N197-L200 WeakPolarHBondContact O-CB 3.42Å; N197-L200 PolarHBondContact O-N 3.08Å; N197-L201 PolarHBondContact O-N 2.89Å; N197-P327 WeakPolarHBondContact OD1-CA 3.29Å; N197-V328 PolarHBondContact ND2-O 3.42Å; N197-V328 PolarHBondContact OD1-N 3.34Å; N197-V328 PolarHBondContact OD1-O 2.96Å; N197-D330 PolarHBondContact ND2-OD1 3.08Å; N197-D330 PolarHBondContact ND2-OD2 2.98Å
198	V	98.9	Very high	98	Very high	2 Å²	2	20.4 Å²	20.4	1%	0.012	11%	0.112	C	C	.	.	H	α-helix	trans	-67.5	-24.5	-176.4	-56.7	0	0	0	0	112.8	F72 P74 F184 G185 P195 G196 L201 D202	F72-V198 VanDerWaalsContact O-CG1 3.3Å; F72-V198 WeakPolarHBondContact O-CG1 3.33Å; P74-V198 HydrophobicContact CG-CG1 4.37Å; F184-V198 WeakPolarHBondContact O-CG2 3.39Å; G185-V198 VanDerWaalsContact O-CG2 3.27Å; G185-V198 WeakPolarHBondContact O-CG2 3.38Å; G185-V198 PolarHBondContact O-N 2.84Å; P195-V198 HydrophobicContact CG-CG1 4.09Å; G196-V198 PolarHBondContact O-N 3.46Å; V198-L201 HydrophobicContact CG1-CD1 4.47Å; V198-L201 CarbonylContact O-C 3.59Å; V198-L201 PolarHBondContact O-N 3.2Å; V198-D202 PolarHBondContact O-N 3.25Å
199	G	98.9	Very high	98.1	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-63.5	-38.8	167.5	0	0	0	0	0	113.2	R180 G185 N197 L201 D202 Q203	R180-G199 WeakPolarHBondContact O-CA 3.21Å; G185-G199 PolarHBondContact O-N 3.38Å; N197-G199 PolarHBondContact O-N 3.39Å; G199-L201 VanDerWaalsContact C-N 3.34Å; G199-D202 WeakPolarHBondContact O-CB 3.46Å; G199-D202 PolarHBondContact O-N 2.79Å; G199-Q203 WeakPolarHBondContact O-CG 3.42Å; G199-Q203 PolarHBondContact O-N 2.92Å; G199-Q203 VanDerWaalsContact O-N 3.15Å
200	L	99	Very high	98.1	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-69.7	-34.4	172.5	-65.4	171.2	0	0	0	111.6	F186 N197 D202 Q203 L204 L238 P327 F333	F186-L200 HydrophobicContact CE1-CG 4.19Å; N197-L200 HydrophobicContact CB-CB 4.47Å; N197-L200 HydrophobicContact CB-CD1 4.15Å; N197-L200 WeakPolarHBondContact O-CB 3.42Å; N197-L200 PolarHBondContact O-N 3.08Å; L200-D202 VanDerWaalsContact C-N 3.32Å; L200-Q203 PolarHBondContact O-N 2.97Å; L200-L204 PolarHBondContact O-N 3.07Å; L200-L238 HydrophobicContact CD1-CD1 3.86Å; L200-L238 HydrophobicContact CD2-CD1 4.12Å; L200-P327 HydrophobicContact CD1-CB 3.86Å; L200-P327 HydrophobicContact CD1-CG 3.9Å; L200-P327 HydrophobicContact CG-CG 4.4Å; L200-F333 HydrophobicContact CB-CD1 4.02Å; L200-F333 HydrophobicContact CB-CD2 4.37Å; L200-F333 HydrophobicContact CB-CE1 3.8Å; L200-F333 HydrophobicContact CB-CE2 4.14Å; L200-F333 HydrophobicContact CB-CG 4.3Å; L200-F333 HydrophobicContact CB-CZ 3.85Å; L200-F333 HydrophobicContact CD1-CD1 3.71Å; L200-F333 HydrophobicContact CD1-CE1 3.71Å; L200-F333 HydrophobicContact CD2-CE1 4.34Å; L200-F333 HydrophobicContact CG-CD1 4.44Å; L200-F333 HydrophobicContact CG-CE1 4.15Å
201	L	98.9	Very high	98.3	Very high	17 Å²	17	21.6 Å²	21.6	9%	0.089	11%	0.108	C	C	.	.	H	α-helix	trans	-68.8	-31.9	174	-62.9	174	0	0	0	111.9	P74 P75 N197 V198 G199 L204 E205 F333	P74-L201 HydrophobicContact CB-CD1 3.87Å; P74-L201 HydrophobicContact CG-CD1 3.88Å; P75-L201 HydrophobicContact CG-CB 4.14Å; P75-L201 WeakPolarHBondContact CG-O 3.34Å; N197-L201 PolarHBondContact O-N 2.89Å; V198-L201 HydrophobicContact CG1-CD1 4.47Å; V198-L201 CarbonylContact O-C 3.59Å; V198-L201 PolarHBondContact O-N 3.2Å; G199-L201 VanDerWaalsContact C-N 3.34Å; L201-L204 HydrophobicContact CD2-CD2 4.22Å; L201-L204 PolarHBondContact O-N 3.33Å; L201-E205 WeakPolarHBondContact O-CB 3.24Å; L201-E205 PolarHBondContact O-N 3.48Å; L201-F333 HydrophobicContact CD2-CB 4.37Å; L201-F333 HydrophobicContact CD2-CD2 3.78Å; L201-F333 HydrophobicContact CD2-CG 4.47Å
202	D	99	Very high	98.4	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-62.1	-47.5	170.6	-62	-25.4	0	0	0	110.8	F62 P75 L122 R180 V198 G199 L200 L204 E205 A206	F62-D202 VanDerWaalsContact CE2-O 3.23Å; F62-D202 WeakPolarHBondContact CE2-O 3.29Å; F62-D202 HydrophobicContact CZ-CB 4.45Å; P75-D202 WeakPolarHBondContact CB-OD1 3.2Å; P75-D202 WeakPolarHBondContact CD-OD1 3.44Å; P75-D202 WeakPolarHBondContact CG-OD1 3.3Å; L122-D202 HydrophobicContact CD2-CB 3.97Å; L122-D202 WeakPolarHBondContact CD2-OD2 3.42Å; R180-D202 VanDerWaalsContact CB-OD2 3.25Å; R180-D202 WeakPolarHBondContact CB-OD2 3.31Å; R180-D202 WeakPolarHBondContact CG-OD2 3.36Å; R180-D202 IonicContact CZ-OD1 3.5Å; R180-D202 IonicContact CZ-OD2 3.06Å; R180-D202 PolarHBondContact N-OD2 2.93Å; R180-D202 IonicContact NE-OD1 3.64Å; R180-D202 PolarHBondContact NE-OD1 3.45Å; R180-D202 IonicContact NE-OD2 3.22Å; R180-D202 PolarHBondContact NE-OD2 3.27Å; R180-D202 IonicContact NH2-OD1 3.67Å; R180-D202 PolarHBondContact NH2-OD1 3.3Å; R180-D202 IonicContact NH2-OD2 2.84Å; V198-D202 PolarHBondContact O-N 3.25Å; G199-D202 WeakPolarHBondContact O-CB 3.46Å; G199-D202 PolarHBondContact O-N 2.79Å; L200-D202 VanDerWaalsContact C-N 3.32Å; D202-L204 VanDerWaalsContact C-N 3.34Å; D202-L204 PolarHBondContact O-N 3.36Å; D202-E205 PolarHBondContact O-N 3.46Å; D202-A206 PolarHBondContact O-N 3.06Å
203	Q	99	Very high	98.5	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-59.2	-46.4	175.4	-63.2	167.9	5	0	0	110.5	V146 Y179 G199 L200 E205 A206 L207 S235 H239	V146-Q203 HydrophobicContact CG1-CG 4.42Å; Y179-Q203 HydrophobicContact CD1-CG 3.88Å; Y179-Q203 HydrophobicContact CD2-CG 4.37Å; Y179-Q203 VanDerWaalsContact CD2-NE2 3.3Å; Y179-Q203 VanDerWaalsContact CE2-NE2 3.34Å; Y179-Q203 HydrophobicContact CG-CG 3.72Å; Y179-Q203 VanDerWaalsContact CG-NE2 3.33Å; G199-Q203 WeakPolarHBondContact O-CG 3.42Å; G199-Q203 PolarHBondContact O-N 2.92Å; G199-Q203 VanDerWaalsContact O-N 3.15Å; L200-Q203 PolarHBondContact O-N 2.97Å; Q203-E205 VanDerWaalsContact C-N 3.32Å; Q203-E205 PolarHBondContact O-N 3.33Å; Q203-A206 CarbonylContact O-C 3.45Å; Q203-A206 WeakPolarHBondContact O-CB 3.48Å; Q203-A206 PolarHBondContact O-N 3.35Å; Q203-A206 VanDerWaalsContact O-N 3.14Å; Q203-L207 WeakPolarHBondContact O-CG 3.29Å; Q203-L207 PolarHBondContact O-N 3.07Å; Q203-S235 PolarHBondContact NE2-OG 2.86Å; Q203-S235 VanDerWaalsContact OE1-CB 3.24Å; Q203-H239 VanDerWaalsContact CB-NE2 3.33Å; Q203-H239 WeakPolarHBondContact CB-NE2 3.45Å; Q203-H239 PolarHBondContact OE1-NE2 3.01Å
204	L	98.9	Very high	98.6	Very high	6 Å²	6	17.2 Å²	17.2	3%	0.031	8%	0.078	C	C	.	.	H	α-helix	trans	-58.5	-40.7	175.7	174	59.6	0	0	0	112.7	L200 L201 D202 A206 L207 K208 L244 Y248 F333	L200-L204 PolarHBondContact O-N 3.07Å; L201-L204 HydrophobicContact CD2-CD2 4.22Å; L201-L204 PolarHBondContact O-N 3.33Å; D202-L204 VanDerWaalsContact C-N 3.34Å; D202-L204 PolarHBondContact O-N 3.36Å; L204-A206 VanDerWaalsContact C-N 3.35Å; L204-L207 PolarHBondContact O-N 3.3Å; L204-K208 WeakPolarHBondContact O-CG 3.28Å; L204-K208 PolarHBondContact O-N 2.91Å; L204-L244 WeakPolarHBondContact CD1-O 3.49Å; L204-L244 HydrophobicContact CD2-CB 3.85Å; L204-L244 HydrophobicContact CD2-CD1 4.33Å; L204-Y248 HydrophobicContact CD1-CD2 3.88Å; L204-Y248 HydrophobicContact CD1-CE2 4Å; L204-F333 HydrophobicContact CB-CE2 4.14Å; L204-F333 HydrophobicContact CD2-CD2 4.32Å; L204-F333 HydrophobicContact CD2-CE2 4.19Å
205	E	98.9	Very high	98.5	Very high	21 Å²	21	21.8 Å²	21.8	10%	0.098	10%	0.099	C	C	.	.	H	α-helix	trans	-66.7	-38.3	177	-168.6	57.1	-149.1	0	0	111.5	F62 A63 P75 P77 L201 D202 Q203 K208 W209	F62-E205 HydrophobicContact CD2-CB 4.13Å; F62-E205 HydrophobicContact CD2-CG 4.04Å; F62-E205 HydrophobicContact CE2-CB 4.12Å; F62-E205 HydrophobicContact CE2-CG 4.43Å; A63-E205 HydrophobicContact CB-CG 4.39Å; P75-E205 HydrophobicContact CB-CB 4.41Å; P75-E205 HydrophobicContact CG-CB 3.97Å; P77-E205 WeakPolarHBondContact CA-OE1 3.34Å; P77-E205 VanDerWaalsContact CB-OE1 3.26Å; P77-E205 WeakPolarHBondContact CB-OE1 3.36Å; P77-E205 VanDerWaalsContact CG-OE1 3.28Å; P77-E205 WeakPolarHBondContact CG-OE1 3.39Å; L201-E205 WeakPolarHBondContact O-CB 3.24Å; L201-E205 PolarHBondContact O-N 3.48Å; D202-E205 PolarHBondContact O-N 3.46Å; Q203-E205 VanDerWaalsContact C-N 3.32Å; Q203-E205 PolarHBondContact O-N 3.33Å; E205-K208 PolarHBondContact O-N 2.89Å; E205-K208 IonicContact OE2-NZ 3.82Å; E205-W209 WeakPolarHBondContact O-CB 3.3Å; E205-W209 PolarHBondContact O-N 3.27Å
206	A	98.9	Very high	98.4	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-62.9	-39.7	170.5	0	0	0	0	0	112	F62 L124 M177 D202 Q203 L204 W209 V210	F62-A206 HydrophobicContact CD1-CB 4.26Å; F62-A206 HydrophobicContact CD2-CB 4.07Å; F62-A206 HydrophobicContact CE1-CB 4.19Å; F62-A206 HydrophobicContact CE2-CB 4.02Å; F62-A206 HydrophobicContact CG-CB 4.2Å; F62-A206 HydrophobicContact CZ-CB 4.07Å; L124-A206 HydrophobicContact CD2-CB 4.49Å; M177-A206 HydrophobicContact CB-CB 3.81Å; M177-A206 HydrophobicContact CE-CB 4.23Å; M177-A206 HydrophobicContact CG-CB 3.85Å; D202-A206 PolarHBondContact O-N 3.06Å; Q203-A206 CarbonylContact O-C 3.45Å; Q203-A206 WeakPolarHBondContact O-CB 3.48Å; Q203-A206 PolarHBondContact O-N 3.35Å; Q203-A206 VanDerWaalsContact O-N 3.14Å; L204-A206 VanDerWaalsContact C-N 3.35Å; A206-W209 WeakPolarHBondContact O-CB 3.46Å; A206-W209 PolarHBondContact O-N 3.44Å; A206-V210 WeakPolarHBondContact O-CG2 3.4Å; A206-V210 PolarHBondContact O-N 2.91Å
207	L	98.9	Very high	98.3	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.005	11%	0.109	C	C	.	.	H	α-helix	trans	-64	-41.7	176	-64	-173	0	0	0	112.5	V144 M177 Q203 L204 W209 V210 H211 L226 F249	V144-L207 HydrophobicContact CG1-CD2 4.05Å; M177-L207 HydrophobicContact CE-CD2 4.41Å; Q203-L207 WeakPolarHBondContact O-CG 3.29Å; Q203-L207 PolarHBondContact O-N 3.07Å; L204-L207 PolarHBondContact O-N 3.3Å; L207-W209 VanDerWaalsContact C-N 3.33Å; L207-V210 PolarHBondContact O-N 3.45Å; L207-H211 WeakPolarHBondContact O-CB 3.36Å; L207-H211 PolarHBondContact O-N 2.84Å; L207-L226 HydrophobicContact CD1-CD1 3.88Å; L207-L226 HydrophobicContact CD1-CD2 4.25Å; L207-L226 HydrophobicContact CD2-CD2 3.4Å; L207-L226 VanDerWaalsContact CD2-CD2 3.4Å; L207-L226 HydrophobicContact CG-CD2 4.47Å; L207-F249 HydrophobicContact CD1-CD1 4.45Å
208	K	98.8	Very high	98.1	Very high	56 Å²	56	25.1 Å²	25.1	24%	0.243	12%	0.118	C	C	.	.	H	α-helix	trans	-60.1	-46	171.4	-72.4	170.7	-174	168.2	0	110.8	L204 E205 V210 H211 Y212 Y248	L204-K208 WeakPolarHBondContact O-CG 3.28Å; L204-K208 PolarHBondContact O-N 2.91Å; E205-K208 PolarHBondContact O-N 2.89Å; E205-K208 IonicContact OE2-NZ 3.82Å; K208-V210 VanDerWaalsContact C-N 3.32Å; K208-V210 PolarHBondContact O-N 2.81Å; K208-H211 PolarHBondContact O-N 3.25Å; K208-Y212 HydrophobicContact CB-CD2 4.39Å; K208-Y212 HydrophobicContact CB-CE2 4.24Å; K208-Y212 WeakPolarHBondContact O-CD2 3.13Å; K208-Y212 PolarHBondContact O-N 2.92Å; K208-Y248 HydrophobicContact CB-CE1 4.48Å; K208-Y248 HydrophobicContact CD-CE2 4.49Å; K208-Y248 HydrophobicContact CG-CD1 4.23Å; K208-Y248 HydrophobicContact CG-CD2 4.19Å; K208-Y248 HydrophobicContact CG-CE1 3.78Å; K208-Y248 HydrophobicContact CG-CE2 3.72Å; K208-Y248 HydrophobicContact CG-CG 4.41Å; K208-Y248 VanDerWaalsContact CG-CZ 3.5Å
209	W	98.8	Very high	98.1	Very high	17 Å²	17	25 Å²	25	6%	0.064	12%	0.118	C	C	.	.	H	α-helix	trans	-57.5	-46.5	177.7	-172.1	104.2	0	0	0	111.2	L35 V60 F62 L124 I126 E205 A206 L207 Y212 N213 F217	L35-W209 HydrophobicContact CD1-CZ2 3.82Å; L35-W209 HydrophobicContact CD2-CH2 4.1Å; L35-W209 HydrophobicContact CD2-CZ2 3.66Å; L35-W209 HydrophobicContact CG-CZ2 4.41Å; V60-W209 HydrophobicContact CG1-CH2 4.21Å; V60-W209 HydrophobicContact CG1-CZ2 3.6Å; F62-W209 HydrophobicContact CB-CB 3.98Å; F62-W209 HydrophobicContact CB-CG 3.82Å; L124-W209 HydrophobicContact CD1-CE3 4.02Å; L124-W209 HydrophobicContact CD1-CH2 4.04Å; L124-W209 HydrophobicContact CD1-CZ3 3.75Å; L124-W209 HydrophobicContact CD2-CB 4.31Å; L124-W209 HydrophobicContact CD2-CD2 3.67Å; L124-W209 HydrophobicContact CD2-CE3 3.45Å; L124-W209 VanDerWaalsContact CD2-CE3 3.45Å; L124-W209 HydrophobicContact CD2-CG 4.03Å; L124-W209 HydrophobicContact CD2-CZ3 4.07Å; L124-W209 HydrophobicContact CG-CE3 4.37Å; I126-W209 HydrophobicContact CD1-CH2 3.61Å; I126-W209 HydrophobicContact CD1-CZ3 3.71Å; E205-W209 WeakPolarHBondContact O-CB 3.3Å; E205-W209 PolarHBondContact O-N 3.27Å; A206-W209 WeakPolarHBondContact O-CB 3.46Å; A206-W209 PolarHBondContact O-N 3.44Å; L207-W209 VanDerWaalsContact C-N 3.33Å; W209-Y212 PolarHBondContact O-N 3.44Å; W209-N213 HydrophobicContact CD2-CB 4.15Å; W209-N213 HydrophobicContact CE3-CB 4.08Å; W209-N213 HydrophobicContact CH2-CB 3.83Å; W209-N213 HydrophobicContact CZ2-CB 3.93Å; W209-N213 HydrophobicContact CZ3-CB 3.92Å; W209-N213 VanDerWaalsContact O-CB 3.3Å; W209-N213 WeakPolarHBondContact O-CB 3.16Å; W209-N213 PolarHBondContact O-N 2.97Å; W209-N213 PolarHBondContact O-ND2 3.14Å; W209-F217 AromaticContact CH2-CE2 3.62Å; W209-F217 HydrophobicContact CH2-CE2 3.62Å; W209-F217 AromaticContact CH2-CZ 3.79Å; W209-F217 HydrophobicContact CH2-CZ 3.79Å; W209-F217 HydrophobicContact CZ3-CE2 4.3Å
210	V	98.9	Very high	98	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.006	13%	0.127	C	C	.	.	H	α-helix	trans	-59.2	-50.7	176.4	170	0	0	0	0	109.9	V142 V144 V175 A206 L207 K208 Y212 N213 I214 V224	V142-V210 HydrophobicContact CG1-CG1 4.23Å; V144-V210 HydrophobicContact CG2-CG1 4.21Å; V144-V210 HydrophobicContact CG2-CG2 4.45Å; V175-V210 HydrophobicContact CB-CG2 4.48Å; V175-V210 HydrophobicContact CG1-CG2 3.85Å; V175-V210 HydrophobicContact CG2-CG2 4.38Å; A206-V210 WeakPolarHBondContact O-CG2 3.4Å; A206-V210 PolarHBondContact O-N 2.91Å; L207-V210 PolarHBondContact O-N 3.45Å; K208-V210 VanDerWaalsContact C-N 3.32Å; K208-V210 PolarHBondContact O-N 2.81Å; V210-Y212 VanDerWaalsContact C-N 3.28Å; V210-Y212 PolarHBondContact O-N 2.81Å; V210-N213 PolarHBondContact O-N 2.87Å; V210-I214 HydrophobicContact CG1-CB 3.98Å; V210-I214 HydrophobicContact CG1-CG1 4.26Å; V210-I214 HydrophobicContact CG1-CG2 4.17Å; V210-I214 WeakPolarHBondContact O-CB 3.28Å; V210-I214 VanDerWaalsContact O-CG2 3.24Å; V210-I214 WeakPolarHBondContact O-CG2 3.5Å; V210-I214 PolarHBondContact O-N 3.39Å; V210-V224 HydrophobicContact CG1-CG2 4.18Å
211	H	98.3	Very high	98	Very high	66 Å²	66	28 Å²	28	31%	0.306	14%	0.135	S	C	.	.	H	α-helix	trans	-55.3	-41.7	180	-178.4	78.9	0	0	0	113.1	L207 K208 P221 Y248	L207-H211 WeakPolarHBondContact O-CB 3.36Å; L207-H211 PolarHBondContact O-N 2.84Å; K208-H211 PolarHBondContact O-N 3.25Å; H211-P221 WeakPolarHBondContact O-CB 3.31Å; H211-Y248 HydrophobicContact CB-CD1 3.72Å; H211-Y248 HydrophobicContact CB-CE1 4.48Å; H211-Y248 AromaticContact CG-CD1 3.75Å
212	Y	98.2	Very high	97.9	Very high	133 Å²	133	30.1 Å²	30.1	52%	0.522	16%	0.155	S	C	.	.	H	α-helix	trans	-83.9	-20.5	-178.1	-66.5	-56.8	0	0	0	114.8	S36 K208 W209 V210	S36-Y212 WeakPolarHBondContact CB-O 3.38Å; S36-Y212 PolarHBondContact OG-O 2.99Å; K208-Y212 HydrophobicContact CB-CD2 4.39Å; K208-Y212 HydrophobicContact CB-CE2 4.24Å; K208-Y212 WeakPolarHBondContact O-CD2 3.13Å; K208-Y212 PolarHBondContact O-N 2.92Å; W209-Y212 PolarHBondContact O-N 3.44Å; V210-Y212 VanDerWaalsContact C-N 3.28Å; V210-Y212 PolarHBondContact O-N 2.81Å
213	N	98.4	Very high	97.9	Very high	8 Å²	8	32.1 Å²	32.1	4%	0.043	16%	0.164	C	C	.	.	H	α-helix	trans	-121.4	-21.6	-169.5	-62	-69.3	0	0	0	115	L35 S36 W209 V210 E215 M216 F217	L35-N213 WeakPolarHBondContact CB-OD1 3.38Å; L35-N213 HydrophobicContact CD2-CB 4.27Å; S36-N213 WeakPolarHBondContact CB-OD1 3.16Å; S36-N213 PolarHBondContact N-OD1 3.41Å; S36-N213 PolarHBondContact OG-OD1 2.87Å; W209-N213 HydrophobicContact CD2-CB 4.15Å; W209-N213 HydrophobicContact CE3-CB 4.08Å; W209-N213 HydrophobicContact CH2-CB 3.83Å; W209-N213 HydrophobicContact CZ2-CB 3.93Å; W209-N213 HydrophobicContact CZ3-CB 3.92Å; W209-N213 VanDerWaalsContact O-CB 3.3Å; W209-N213 WeakPolarHBondContact O-CB 3.16Å; W209-N213 PolarHBondContact O-N 2.97Å; W209-N213 PolarHBondContact O-ND2 3.14Å; V210-N213 PolarHBondContact O-N 2.87Å; N213-E215 PolarHBondContact O-N 3.46Å; N213-E215 VanDerWaalsContact O-N 3.12Å; N213-M216 VanDerWaalsContact O-CB 3.31Å; N213-M216 WeakPolarHBondContact O-CB 3.46Å; N213-M216 PolarHBondContact O-N 3.38Å; N213-F217 HydrophobicContact CB-CE2 4.4Å; N213-F217 VanDerWaalsContact O-CD2 3.27Å; N213-F217 WeakPolarHBondContact O-CD2 3.3Å; N213-F217 WeakPolarHBondContact O-CE2 3.36Å
214	I	98	Very high	97.9	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-64.8	-24.1	-168.5	-155.5	62.9	0	0	0	113.5	I126 V142 I173 V175 V210 M216 F217 G218 G219 P221	I126-I214 HydrophobicContact CG2-CD1 4.26Å; V142-I214 HydrophobicContact CG1-CD1 4.43Å; V142-I214 HydrophobicContact CG1-CG1 3.99Å; V142-I214 HydrophobicContact CG2-CG1 3.69Å; V142-I214 HydrophobicContact CG2-CG2 4.15Å; I173-I214 HydrophobicContact CG2-CD1 4.01Å; I173-I214 HydrophobicContact CG2-CG1 4.47Å; V175-I214 HydrophobicContact CG2-CD1 3.75Å; V210-I214 HydrophobicContact CG1-CB 3.98Å; V210-I214 HydrophobicContact CG1-CG1 4.26Å; V210-I214 HydrophobicContact CG1-CG2 4.17Å; V210-I214 WeakPolarHBondContact O-CB 3.28Å; V210-I214 VanDerWaalsContact O-CG2 3.24Å; V210-I214 WeakPolarHBondContact O-CG2 3.5Å; V210-I214 PolarHBondContact O-N 3.39Å; I214-M216 PolarHBondContact O-N 3.39Å; I214-F217 HydrophobicContact CD1-CB 4.39Å; I214-F217 HydrophobicContact CD1-CD2 4.37Å; I214-F217 WeakPolarHBondContact O-CA 3.21Å; I214-F217 WeakPolarHBondContact O-CB 3.46Å; I214-F217 PolarHBondContact O-N 3.14Å; I214-G218 PolarHBondContact O-N 3.05Å; I214-G219 PolarHBondContact O-N 2.59Å; I214-P221 HydrophobicContact CG2-CB 4.1Å
215	E	96.2	Very high	97.9	Very high	96 Å²	96	31.9 Å²	31.9	45%	0.449	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-58.8	-34.5	172.6	-173.7	178	171.5	0	0	112.3	R139 N213 F217 G218 G219	R139-E215 IonicContact CZ-OE1 3.39Å; R139-E215 IonicContact CZ-OE2 3.4Å; R139-E215 IonicContact NE-OE1 3.02Å; R139-E215 IonicContact NH2-OE1 3.8Å; R139-E215 PolarHBondContact NH2-OE1 2.91Å; R139-E215 IonicContact NH2-OE2 3.49Å; R139-E215 PolarHBondContact NH2-OE2 3.47Å; N213-E215 PolarHBondContact O-N 3.46Å; N213-E215 VanDerWaalsContact O-N 3.12Å; E215-F217 PolarHBondContact O-N 3.16Å; E215-F217 VanDerWaalsContact O-N 3.09Å; E215-G218 PolarHBondContact O-N 3.47Å; E215-G219 WeakPolarHBondContact CA-O 3.39Å
216	M	94.9	Very high	97.9	Very high	85 Å²	85	30.9 Å²	30.9	42%	0.419	16%	0.158	S	C	.	.	G	3₁₀ helix	trans	-66.4	-12.9	177.7	-55.6	-50.7	-64.1	0	0	113	V33 R34 W132 N213 I214	V33-M216 HydrophobicContact CG1-CB 4.07Å; R34-M216 VanDerWaalsContact O-CE 3.27Å; R34-M216 WeakPolarHBondContact O-CE 3.35Å; R34-M216 WeakPolarHBondContact O-CG 3.43Å; W132-M216 VanDerWaalsContact CH2-O 3.24Å; W132-M216 WeakPolarHBondContact CH2-O 3.36Å; N213-M216 VanDerWaalsContact O-CB 3.31Å; N213-M216 WeakPolarHBondContact O-CB 3.46Å; N213-M216 PolarHBondContact O-N 3.38Å; I214-M216 PolarHBondContact O-N 3.39Å
217	F	95.7	Very high	97.9	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-107	5.1	177.3	-56.6	-95.7	0	0	0	112.2	V33 L35 I41 F57 I126 V128 I173 W209 N213 I214 E215	V33-F217 HydrophobicContact CG1-CE1 4.34Å; V33-F217 HydrophobicContact CG1-CZ 4.36Å; L35-F217 HydrophobicContact CD2-CE2 3.84Å; L35-F217 HydrophobicContact CD2-CZ 3.76Å; I41-F217 HydrophobicContact CD1-CE1 3.58Å; I41-F217 HydrophobicContact CD1-CZ 3.41Å; I41-F217 VanDerWaalsContact CD1-CZ 3.41Å; F57-F217 HydrophobicContact CB-CE1 4.3Å; F57-F217 AromaticContact CD1-CE1 3.87Å; F57-F217 HydrophobicContact CD1-CE1 3.87Å; F57-F217 AromaticContact CD2-CD1 3.71Å; F57-F217 HydrophobicContact CD2-CD1 3.71Å; F57-F217 AromaticContact CD2-CE1 3.74Å; F57-F217 HydrophobicContact CD2-CE1 3.74Å; F57-F217 HydrophobicContact CE1-CE1 4.04Å; F57-F217 AromaticContact CE2-CD1 3.66Å; F57-F217 HydrophobicContact CE2-CD1 3.66Å; F57-F217 AromaticContact CE2-CE1 3.93Å; F57-F217 HydrophobicContact CE2-CE1 3.93Å; F57-F217 HydrophobicContact CG-CD1 4.18Å; F57-F217 AromaticContact CG-CE1 3.71Å; F57-F217 HydrophobicContact CG-CE1 3.71Å; F57-F217 HydrophobicContact CZ-CD1 4.09Å; F57-F217 HydrophobicContact CZ-CE1 4.08Å; I126-F217 HydrophobicContact CD1-CD1 3.93Å; I126-F217 HydrophobicContact CD1-CD2 4.2Å; I126-F217 HydrophobicContact CD1-CE1 3.62Å; I126-F217 HydrophobicContact CD1-CE2 3.94Å; I126-F217 HydrophobicContact CD1-CG 4.2Å; I126-F217 HydrophobicContact CD1-CZ 3.61Å; I126-F217 HydrophobicContact CG2-CD1 4.37Å; V128-F217 HydrophobicContact CG2-CB 4.15Å; I173-F217 WeakPolarHBondContact CD1-O 3.23Å; W209-F217 AromaticContact CH2-CE2 3.62Å; W209-F217 HydrophobicContact CH2-CE2 3.62Å; W209-F217 AromaticContact CH2-CZ 3.79Å; W209-F217 HydrophobicContact CH2-CZ 3.79Å; W209-F217 HydrophobicContact CZ3-CE2 4.3Å; N213-F217 HydrophobicContact CB-CE2 4.4Å; N213-F217 VanDerWaalsContact O-CD2 3.27Å; N213-F217 WeakPolarHBondContact O-CD2 3.3Å; N213-F217 WeakPolarHBondContact O-CE2 3.36Å; I214-F217 HydrophobicContact CD1-CB 4.39Å; I214-F217 HydrophobicContact CD1-CD2 4.37Å; I214-F217 WeakPolarHBondContact O-CA 3.21Å; I214-F217 WeakPolarHBondContact O-CB 3.46Å; I214-F217 PolarHBondContact O-N 3.14Å; E215-F217 PolarHBondContact O-N 3.16Å; E215-F217 VanDerWaalsContact O-N 3.09Å
218	G	95.5	Very high	97.9	Very high	19 Å²	19	30.8 Å²	30.8	20%	0.196	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.2	10.4	-176.3	0	0	0	0	0	114.5	R139 L140 I214 E215	R139-G218 CarbonylContact C-O 3.44Å; R139-G218 VanDerWaalsContact CA-O 3.3Å; R139-G218 WeakPolarHBondContact CA-O 3.34Å; L140-G218 PolarHBondContact N-O 3.09Å; I214-G218 PolarHBondContact O-N 3.05Å; E215-G218 PolarHBondContact O-N 3.47Å
219	G	97.5	Very high	97.9	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	155	175.8	0	0	0	0	0	113.2	L140 I173 I214 E215 P221	L140-G219 CarbonylContact O-C 3.47Å; L140-G219 WeakPolarHBondContact O-CA 3.48Å; I173-G219 VanDerWaalsContact CD1-CA 3.46Å; I173-G219 VanDerWaalsContact CD1-N 3.27Å; I214-G219 PolarHBondContact O-N 2.59Å; E215-G219 WeakPolarHBondContact CA-O 3.39Å; G219-P221 WeakPolarHBondContact O-CD 3.24Å
220	D	97.8	Very high	97.9	Very high	37 Å²	37	28 Å²	28	20%	0.198	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	110.5	169	-161.7	-25.2	0	0	0	110.2	R139 L140 A222 E223	R139-D220 HydrophobicContact CB-CB 3.8Å; L140-D220 PolarHBondContact O-N 3.42Å; D220-A222 PolarHBondContact O-N 3.11Å; D220-A222 VanDerWaalsContact O-N 3.09Å; D220-A222 WeakPolarHBondContact OD1-CB 3.49Å; D220-A222 PolarHBondContact OD1-N 3.3Å; D220-E223 HydrophobicContact CB-CB 4.12Å; D220-E223 HydrophobicContact CB-CG 4.27Å; D220-E223 PolarHBondContact O-N 2.92Å
221	P	98	Very high	97.9	Very high	25 Å²	25	28 Å²	28	16%	0.162	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	-13	176.3	27.7	-35	0	0	0	113.3	H211 I214 G219	H211-P221 WeakPolarHBondContact O-CB 3.31Å; I214-P221 HydrophobicContact CG2-CB 4.1Å; G219-P221 WeakPolarHBondContact O-CD 3.24Å
222	A	98	Very high	97.9	Very high	61 Å²	61	24.9 Å²	24.9	50%	0.504	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	-13.8	173.6	0	0	0	0	0	113.9	D220 K250	D220-A222 PolarHBondContact O-N 3.11Å; D220-A222 VanDerWaalsContact O-N 3.09Å; D220-A222 WeakPolarHBondContact OD1-CB 3.49Å; D220-A222 PolarHBondContact OD1-N 3.3Å; A222-K250 WeakPolarHBondContact O-CD 3.43Å
223	E	98.2	Very high	98	Very high	43 Å²	43	18.5 Å²	18.5	20%	0.201	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	45.8	179.3	-61.2	-65.8	152.6	0	0	111.5	P141 V142 D220 K250 R251	P141-E223 HydrophobicContact CB-CB 4.26Å; V142-E223 PolarHBondContact N-O 3.29Å; D220-E223 HydrophobicContact CB-CB 4.12Å; D220-E223 HydrophobicContact CB-CG 4.27Å; D220-E223 PolarHBondContact O-N 2.92Å; E223-K250 IonicContact OE1-NZ 3.38Å; E223-K250 PolarHBondContact OE1-NZ 3.24Å; E223-K250 WeakPolarHBondContact OE2-CD 3.31Å; E223-K250 IonicContact OE2-NZ 3.33Å; E223-K250 PolarHBondContact OE2-NZ 3.23Å; E223-R251 IonicContact OE2-CZ 3.64Å; E223-R251 IonicContact OE2-NH1 2.97Å; E223-R251 PolarHBondContact OE2-NH1 2.88Å; E223-R251 IonicContact OE2-NH2 2.58Å; E223-R251 PolarHBondContact OE2-NH2 3.37Å
224	V	98.9	Very high	98	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	125.8	175.9	176.6	0	0	0	0	110.2	V142 V144 V210 L226 F249 K250 R251	V142-V224 HydrophobicContact CB-CG2 4.13Å; V142-V224 CarbonylContact O-C 3.58Å; V142-V224 WeakPolarHBondContact O-CA 3.42Å; V144-V224 HydrophobicContact CG2-CG1 3.72Å; V210-V224 HydrophobicContact CG1-CG2 4.18Å; V224-L226 HydrophobicContact CG1-CD2 4.35Å; V224-F249 HydrophobicContact CB-CB 4.29Å; V224-F249 HydrophobicContact CG1-CB 3.9Å; V224-K250 WeakPolarHBondContact O-CA 3.35Å; V224-K250 WeakPolarHBondContact O-CB 3.36Å; V224-K250 PolarHBondContact O-N 2.68Å; V224-R251 PolarHBondContact O-N 2.9Å
225	T	99	Very high	98	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	122.8	175.2	-60.3	0	0	0	0	109.5	V142 M143 V144 R251 I253 F520 A521	V142-T225 PolarHBondContact O-N 3.13Å; M143-T225 CarbonylContact C-O 3.49Å; M143-T225 WeakPolarHBondContact CA-O 3.46Å; V144-T225 PolarHBondContact N-O 2.86Å; T225-R251 WeakPolarHBondContact CA-O 3.2Å; T225-R251 HydrophobicContact CG2-CB 3.98Å; T225-I253 HydrophobicContact CG2-CD1 4.14Å; T225-I253 HydrophobicContact CG2-CG1 4.02Å; T225-F520 HydrophobicContact CG2-CD1 4.28Å; T225-F520 HydrophobicContact CG2-CE1 4.22Å; T225-A521 HydrophobicContact CG2-CB 4.29Å; T225-A521 VanDerWaalsContact OG1-CA 3.31Å; T225-A521 WeakPolarHBondContact OG1-CA 3.36Å; T225-A521 PolarHBondContact OG1-O 3.4Å
226	L	99	Very high	98.2	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	138	171.8	-55.4	-171.3	0	0	0	109.5	V144 L207 V224 V236 H239 F249 R251 A252 I253	V144-L226 HydrophobicContact CB-CD2 3.83Å; V144-L226 HydrophobicContact CG1-CD2 4.35Å; V144-L226 HydrophobicContact CG2-CD2 4.34Å; L207-L226 HydrophobicContact CD1-CD1 3.88Å; L207-L226 HydrophobicContact CD1-CD2 4.25Å; L207-L226 HydrophobicContact CD2-CD2 3.4Å; L207-L226 VanDerWaalsContact CD2-CD2 3.4Å; L207-L226 HydrophobicContact CG-CD2 4.47Å; V224-L226 HydrophobicContact CG1-CD2 4.35Å; L226-V236 HydrophobicContact CB-CB 4.49Å; L226-V236 HydrophobicContact CB-CG1 3.82Å; L226-V236 HydrophobicContact CB-CG2 3.91Å; L226-H239 HydrophobicContact CD1-CB 3.96Å; L226-F249 HydrophobicContact CD1-CB 4.27Å; L226-F249 HydrophobicContact CD1-CD1 3.7Å; L226-F249 HydrophobicContact CD1-CD2 3.89Å; L226-F249 HydrophobicContact CD1-CE1 3.89Å; L226-F249 HydrophobicContact CD1-CE2 4.06Å; L226-F249 HydrophobicContact CD1-CG 3.69Å; L226-F249 HydrophobicContact CD1-CZ 4.06Å; L226-F249 HydrophobicContact CD2-CB 4.05Å; L226-F249 HydrophobicContact CD2-CG 4.37Å; L226-F249 HydrophobicContact CG-CB 3.83Å; L226-F249 HydrophobicContact CG-CD1 4.2Å; L226-F249 HydrophobicContact CG-CD2 3.78Å; L226-F249 HydrophobicContact CG-CE2 4.34Å; L226-F249 HydrophobicContact CG-CG 3.68Å; L226-R251 PolarHBondContact N-O 3.19Å; L226-A252 CarbonylContact O-C 3.49Å; L226-A252 VanDerWaalsContact O-CA 3.29Å; L226-A252 WeakPolarHBondContact O-CA 3.42Å; L226-I253 PolarHBondContact O-N 3.02Å
227	F	98.9	Very high	98.4	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	140.5	172.5	71.8	-58.4	0	0	0	109.8	M143 V144 W145 V146 I253 I490 Y491	M143-F227 HydrophobicContact CB-CD1 3.95Å; M143-F227 HydrophobicContact CB-CE1 3.58Å; M143-F227 HydrophobicContact CB-CZ 4.29Å; M143-F227 HydrophobicContact CE-CD1 4.34Å; M143-F227 HydrophobicContact CE-CD2 4.29Å; M143-F227 HydrophobicContact CE-CE1 4.36Å; M143-F227 HydrophobicContact CE-CE2 4.29Å; M143-F227 HydrophobicContact CE-CG 4.34Å; M143-F227 HydrophobicContact CE-CZ 4.33Å; V144-F227 VanDerWaalsContact C-CD1 3.45Å; V144-F227 VanDerWaalsContact C-CE1 3.45Å; V144-F227 VanDerWaalsContact O-CD1 3.25Å; V144-F227 WeakPolarHBondContact O-CD1 3.23Å; V144-F227 PolarHBondContact O-N 3.06Å; W145-F227 CarbonylContact C-O 3.58Å; W145-F227 VanDerWaalsContact CA-O 3.31Å; W145-F227 WeakPolarHBondContact CA-O 3.26Å; W145-F227 HydrophobicContact CB-CD1 4.43Å; W145-F227 HydrophobicContact CB-CE1 3.71Å; W145-F227 HydrophobicContact CB-CZ 3.77Å; W145-F227 HydrophobicContact CD2-CE2 4.24Å; W145-F227 HydrophobicContact CD2-CZ 4.34Å; W145-F227 HydrophobicContact CE3-CD1 4.29Å; W145-F227 AromaticContact CE3-CD2 3.38Å; W145-F227 HydrophobicContact CE3-CD2 3.38Å; W145-F227 HydrophobicContact CE3-CE1 4.24Å; W145-F227 AromaticContact CE3-CE2 3.34Å; W145-F227 HydrophobicContact CE3-CE2 3.34Å; W145-F227 AromaticContact CE3-CG 3.87Å; W145-F227 HydrophobicContact CE3-CG 3.87Å; W145-F227 AromaticContact CE3-CZ 3.8Å; W145-F227 HydrophobicContact CE3-CZ 3.8Å; W145-F227 VanDerWaalsContact CE3-O 3.31Å; W145-F227 HydrophobicContact CG-CZ 4.39Å; W145-F227 AromaticContact CZ3-CD2 3.67Å; W145-F227 HydrophobicContact CZ3-CD2 3.67Å; W145-F227 AromaticContact CZ3-CE2 3.87Å; W145-F227 HydrophobicContact CZ3-CE2 3.87Å; W145-F227 HydrophobicContact CZ3-CG 4.37Å; W145-F227 VanDerWaalsContact N-CE1 3.31Å; V146-F227 PolarHBondContact N-O 3.23Å; F227-I253 WeakPolarHBondContact CA-O 3.48Å; F227-I253 HydrophobicContact CB-CB 3.63Å; F227-I253 HydrophobicContact CB-CD1 4.04Å; F227-I253 HydrophobicContact CB-CG1 4.13Å; F227-I253 HydrophobicContact CB-CG2 4.26Å; F227-I490 HydrophobicContact CE2-CG2 4.46Å; F227-Y491 HydrophobicContact CE2-CE2 4.12Å; F227-Y491 WeakPolarHBondContact CZ-OH 3.32Å
228	G	98.9	Very high	98.5	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	161.6	-178.2	0	0	0	0	0	110.7	V146 A233 I253 Q255	V146-G228 WeakPolarHBondContact O-CA 3.39Å; G228-A233 WeakPolarHBondContact O-CB 3.03Å; G228-I253 PolarHBondContact N-O 2.84Å; G228-Q255 WeakPolarHBondContact O-CB 3.11Å; G228-Q255 PolarHBondContact O-N 3.19Å
229	E	98.9	Very high	98.7	Very high	8 Å²	8	8.7 Å²	8.7	4%	0.037	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	147	-179.9	-171.5	-81.4	164.2	0	0	110.4	W145 G148 S231 G232 A233 Q255 H483 G484 E486 I487	W145-E229 HydrophobicContact CH2-CB 3.64Å; W145-E229 HydrophobicContact CZ2-CB 4.38Å; W145-E229 HydrophobicContact CZ3-CB 4.45Å; G148-E229 WeakPolarHBondContact CA-O 3.3Å; G148-E229 PolarHBondContact N-O 2.78Å; E229-S231 PolarHBondContact O-N 3.25Å; E229-G232 VanDerWaalsContact O-CA 3.23Å; E229-G232 WeakPolarHBondContact O-CA 3.06Å; E229-G232 PolarHBondContact O-N 2.98Å; E229-A233 PolarHBondContact O-N 3.36Å; E229-Q255 CarbonylContact C-O 3.57Å; E229-Q255 VanDerWaalsContact CA-O 3.27Å; E229-Q255 WeakPolarHBondContact CA-O 3.32Å; E229-Q255 HydrophobicContact CB-CB 3.91Å; E229-Q255 HydrophobicContact CG-CB 3.92Å; E229-H483 IonicContact OE1-CD2 3.31Å; E229-H483 PolarHBondContact OE1-CD2 2.69Å; E229-H483 VanDerWaalsContact OE1-CD2 3.22Å; E229-H483 IonicContact OE1-CE1 3.23Å; E229-H483 IonicContact OE1-CG 3.16Å; E229-H483 IonicContact OE1-ND1 3.66Å; E229-H483 IonicContact OE1-NE2 3.35Å; E229-H483 PolarHBondContact OE1-NE2 3.12Å; E229-G484 VanDerWaalsContact OE1-CA 3.28Å; E229-G484 WeakPolarHBondContact OE1-CA 3.4Å; E229-G484 PolarHBondContact OE1-N 2.67Å; E229-E486 WeakPolarHBondContact CG-OE1 3.47Å; E229-I487 HydrophobicContact CB-CD1 3.84Å; E229-I487 HydrophobicContact CB-CG1 4.23Å; E229-I487 HydrophobicContact CG-CD1 3.74Å; E229-I487 HydrophobicContact CG-CG1 4.04Å
230	S	98.9	Very high	98.7	Very high	7 Å²	7	8.7 Å²	8.7	5%	0.049	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	-124	179.3	-165.2	0	0	0	0	112	G232 A233 A234 Q255 H483	S230-G232 PolarHBondContact O-N 3.44Å; S230-A233 WeakPolarHBondContact O-CA 3.39Å; S230-A233 WeakPolarHBondContact O-CB 3.03Å; S230-A233 PolarHBondContact O-N 2.96Å; S230-A234 PolarHBondContact O-N 3.4Å; S230-Q255 PolarHBondContact N-O 3.23Å; S230-H483 WeakPolarHBondContact CB-NE2 3.31Å; S230-H483 PolarHBondContact OG-NE2 3.3Å
231	S	98.9	Very high	98.8	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-62.2	-21.9	174.8	65.4	0	0	0	0	113.6	G148 G149 G150 F151 E229 S235	G148-S231 WeakPolarHBondContact CA-OG 3.43Å; G149-S231 PolarHBondContact N-OG 3.15Å; G149-S231 VanDerWaalsContact N-OG 3.09Å; G150-S231 PolarHBondContact N-OG 3.11Å; F151-S231 WeakPolarHBondContact CZ-O 3.36Å; F151-S231 PolarHBondContact N-OG 2.86Å; E229-S231 PolarHBondContact O-N 3.25Å; S231-S235 WeakPolarHBondContact O-CB 3.37Å; S231-S235 PolarHBondContact O-N 2.88Å; S231-S235 PolarHBondContact O-OG 3.37Å
232	G	98.9	Very high	98.8	Very high	0 Å²	0	6 Å²	6	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-67.9	-42.4	168.1	0	0	0	0	0	111.9	V146 Y147 E229 S230 S235 V236	V146-G232 WeakPolarHBondContact O-CA 3.37Å; Y147-G232 WeakPolarHBondContact O-CA 3.35Å; Y147-G232 PolarHBondContact O-N 3.44Å; E229-G232 VanDerWaalsContact O-CA 3.23Å; E229-G232 WeakPolarHBondContact O-CA 3.06Å; E229-G232 PolarHBondContact O-N 2.98Å; S230-G232 PolarHBondContact O-N 3.44Å; G232-S235 VanDerWaalsContact O-CB 3.31Å; G232-S235 WeakPolarHBondContact O-CB 3.21Å; G232-S235 PolarHBondContact O-N 3.23Å; G232-V236 WeakPolarHBondContact O-CG2 3.48Å; G232-V236 PolarHBondContact O-N 2.04Å
233	A	99	Very high	98.8	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-65.2	-42.8	171.9	0	0	0	0	0	111.4	G228 E229 S230 S235 V236 S237 L254 Q255 G257	G228-A233 WeakPolarHBondContact O-CB 3.03Å; E229-A233 PolarHBondContact O-N 3.36Å; S230-A233 WeakPolarHBondContact O-CA 3.39Å; S230-A233 WeakPolarHBondContact O-CB 3.03Å; S230-A233 PolarHBondContact O-N 2.96Å; A233-S235 VanDerWaalsContact C-N 3.28Å; A233-S235 PolarHBondContact O-N 3.09Å; A233-V236 PolarHBondContact O-N 3.44Å; A233-S237 PolarHBondContact O-N 2.92Å; A233-S237 PolarHBondContact O-OG 3.19Å; A233-L254 HydrophobicContact CB-CB 4.33Å; A233-L254 HydrophobicContact CB-CD2 4.37Å; A233-L254 WeakPolarHBondContact O-CD2 3.22Å; A233-Q255 VanDerWaalsContact CB-O 3.29Å; A233-Q255 WeakPolarHBondContact CB-O 3.31Å; A233-G257 WeakPolarHBondContact CB-O 3.5Å
234	A	98.9	Very high	98.8	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-56.4	-44.9	172.5	0	0	0	0	0	111	F151 S230 S237 L238 W263 A264	F151-A234 HydrophobicContact CE2-CB 4.24Å; F151-A234 HydrophobicContact CZ-CB 3.94Å; S230-A234 PolarHBondContact O-N 3.4Å; A234-S237 WeakPolarHBondContact CA-OG 3.48Å; A234-S237 PolarHBondContact O-N 2.9Å; A234-S237 PolarHBondContact O-OG 2.94Å; A234-L238 WeakPolarHBondContact O-CG 3.36Å; A234-L238 PolarHBondContact O-N 3.48Å; A234-W263 HydrophobicContact CB-CH2 4Å; A234-W263 HydrophobicContact CB-CZ3 4.03Å; A234-A264 HydrophobicContact CB-CB 3.98Å
235	S	99	Very high	98.8	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-58.3	-48.9	173.8	-62.2	0	0	0	0	112.7	F151 Q203 S231 G232 A233 S237 L238 H239	F151-S235 WeakPolarHBondContact CE1-OG 3.21Å; Q203-S235 PolarHBondContact NE2-OG 2.86Å; Q203-S235 VanDerWaalsContact OE1-CB 3.24Å; S231-S235 WeakPolarHBondContact O-CB 3.37Å; S231-S235 PolarHBondContact O-N 2.88Å; S231-S235 PolarHBondContact O-OG 3.37Å; G232-S235 VanDerWaalsContact O-CB 3.31Å; G232-S235 WeakPolarHBondContact O-CB 3.21Å; G232-S235 PolarHBondContact O-N 3.23Å; A233-S235 VanDerWaalsContact C-N 3.28Å; A233-S235 PolarHBondContact O-N 3.09Å; S235-S237 VanDerWaalsContact C-N 3.28Å; S235-S237 PolarHBondContact O-N 3.11Å; S235-L238 CarbonylContact O-C 3.42Å; S235-L238 WeakPolarHBondContact O-CA 3.28Å; S235-L238 WeakPolarHBondContact O-CB 3.19Å; S235-L238 PolarHBondContact O-N 3.09Å; S235-H239 PolarHBondContact O-CD2 2.91Å; S235-H239 PolarHBondContact O-N 3.29Å
236	V	99	Very high	98.8	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-57.8	-42.2	176.8	171.3	0	0	0	0	111	V146 L226 G232 A233 H239 L240 A252 L254	V146-V236 HydrophobicContact CB-CG2 4.3Å; V146-V236 HydrophobicContact CG2-CG2 3.97Å; L226-V236 HydrophobicContact CB-CB 4.49Å; L226-V236 HydrophobicContact CB-CG1 3.82Å; L226-V236 HydrophobicContact CB-CG2 3.91Å; G232-V236 WeakPolarHBondContact O-CG2 3.48Å; G232-V236 PolarHBondContact O-N 2.04Å; A233-V236 PolarHBondContact O-N 3.44Å; V236-H239 WeakPolarHBondContact O-CB 3.33Å; V236-H239 PolarHBondContact O-N 2.64Å; V236-L240 PolarHBondContact O-N 3.15Å; V236-A252 HydrophobicContact CG1-CB 3.67Å; V236-L254 HydrophobicContact CB-CD2 3.85Å; V236-L254 HydrophobicContact CG1-CD2 3.74Å
237	S	98.9	Very high	98.8	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-68.5	-32.2	175.6	61	0	0	0	0	113.5	A233 A234 S235 H239 L240 L241 A259	A233-S237 PolarHBondContact O-N 2.92Å; A233-S237 PolarHBondContact O-OG 3.19Å; A234-S237 WeakPolarHBondContact CA-OG 3.48Å; A234-S237 PolarHBondContact O-N 2.9Å; A234-S237 PolarHBondContact O-OG 2.94Å; S235-S237 VanDerWaalsContact C-N 3.28Å; S235-S237 PolarHBondContact O-N 3.11Å; S237-H239 VanDerWaalsContact C-N 3.35Å; S237-L240 WeakPolarHBondContact O-CB 3.3Å; S237-L240 PolarHBondContact O-N 2.98Å; S237-L241 VanDerWaalsContact O-CG 3.27Å; S237-L241 WeakPolarHBondContact O-CG 3.36Å; S237-L241 PolarHBondContact O-N 2.99Å; S237-L241 VanDerWaalsContact O-N 3.14Å; S237-A259 WeakPolarHBondContact OG-CA 3.4Å; S237-A259 VanDerWaalsContact OG-CB 3.28Å; S237-A259 WeakPolarHBondContact OG-CB 3.49Å; S237-A259 PolarHBondContact OG-N 3.11Å
238	L	98.9	Very high	98.8	Very high	1 Å²	1	15.9 Å²	15.9	1%	0.005	9%	0.089	C	C	.	.	H	α-helix	trans	-67.8	-34.8	171.1	-69.2	168.4	0	0	0	111.5	L200 A234 S235 L240 L241 S242 A259 M265 P327 F333 V334 P338	L200-L238 HydrophobicContact CD1-CD1 3.86Å; L200-L238 HydrophobicContact CD2-CD1 4.12Å; A234-L238 WeakPolarHBondContact O-CG 3.36Å; A234-L238 PolarHBondContact O-N 3.48Å; S235-L238 CarbonylContact O-C 3.42Å; S235-L238 WeakPolarHBondContact O-CA 3.28Å; S235-L238 WeakPolarHBondContact O-CB 3.19Å; S235-L238 PolarHBondContact O-N 3.09Å; L238-L240 VanDerWaalsContact C-N 3.34Å; L238-L241 PolarHBondContact O-N 2.76Å; L238-S242 VanDerWaalsContact O-CB 3.28Å; L238-S242 WeakPolarHBondContact O-CB 3.31Å; L238-S242 PolarHBondContact O-N 3.17Å; L238-A259 HydrophobicContact CD2-CB 3.66Å; L238-A259 HydrophobicContact CG-CB 3.86Å; L238-M265 HydrophobicContact CD2-SD 3.9Å; L238-P327 HydrophobicContact CD1-CB 3.92Å; L238-P327 HydrophobicContact CD1-CG 3.81Å; L238-F333 HydrophobicContact CB-CE1 4.17Å; L238-V334 HydrophobicContact CD2-CG2 4.02Å; L238-P338 HydrophobicContact CD2-CG 4.27Å
239	H	98.9	Very high	98.7	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.005	9%	0.091	C	C	.	.	H	α-helix	trans	-66.9	-31.6	170.9	-74.5	-67.6	0	0	0	113.3	Q203 L226 S235 V236 S237 L241 S245 F249 F333	Q203-H239 VanDerWaalsContact CB-NE2 3.33Å; Q203-H239 WeakPolarHBondContact CB-NE2 3.45Å; Q203-H239 PolarHBondContact OE1-NE2 3.01Å; L226-H239 HydrophobicContact CD1-CB 3.96Å; S235-H239 PolarHBondContact O-CD2 2.91Å; S235-H239 PolarHBondContact O-N 3.29Å; V236-H239 WeakPolarHBondContact O-CB 3.33Å; V236-H239 PolarHBondContact O-N 2.64Å; S237-H239 VanDerWaalsContact C-N 3.35Å; H239-L241 VanDerWaalsContact C-N 3.3Å; H239-S245 VanDerWaalsContact ND1-CB 3.28Å; H239-S245 WeakPolarHBondContact ND1-CB 3.23Å; H239-S245 PolarHBondContact ND1-OG 3Å; H239-F249 HydrophobicContact CB-CE1 4.05Å; H239-F249 HydrophobicContact CB-CZ 4.24Å; H239-F333 AromaticContact CE1-CZ 3.59Å; H239-F333 AromaticContact ND1-CZ 3.47Å; H239-F333 WeakPolarHBondContact ND1-CZ 3.38Å
240	L	98.8	Very high	98.7	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-64.5	-36.9	170.8	-72.2	170	0	0	0	111.7	V236 S237 L238 Q246 F249 A252 K348 L352 F450 Y454	V236-L240 PolarHBondContact O-N 3.15Å; S237-L240 WeakPolarHBondContact O-CB 3.3Å; S237-L240 PolarHBondContact O-N 2.98Å; L238-L240 VanDerWaalsContact C-N 3.34Å; L240-Q246 PolarHBondContact O-NE2 3.15Å; L240-F249 HydrophobicContact CD2-CE2 3.56Å; L240-F249 HydrophobicContact CD2-CZ 3.78Å; L240-F249 HydrophobicContact CG-CE2 4.33Å; L240-F249 HydrophobicContact CG-CZ 4.27Å; L240-A252 HydrophobicContact CD1-CB 3.73Å; L240-A252 HydrophobicContact CD2-CB 3.81Å; L240-A252 HydrophobicContact CG-CB 4Å; L240-K348 HydrophobicContact CD2-CB 4.09Å; L240-K348 HydrophobicContact CD2-CD 4.26Å; L240-K348 PolarHBondContact O-N 2.92Å; L240-L352 HydrophobicContact CD1-CD1 3.91Å; L240-F450 HydrophobicContact CD1-CE1 3.9Å; L240-F450 HydrophobicContact CD1-CZ 4.05Å; L240-Y454 WeakPolarHBondContact CB-OH 3.32Å; L240-Y454 HydrophobicContact CD1-CE2 4.48Å; L240-Y454 WeakPolarHBondContact CD2-OH 3.42Å
241	L	98.6	Very high	98.7	Very high	4 Å²	4	19 Å²	19	2%	0.021	10%	0.102	C	C	.	.	H	α-helix	trans	-81.6	-33.3	-178.9	-64.1	166.3	0	0	0	112.4	S237 L238 H239 P243 A259 P338 L341 L342 F347 F450	S237-L241 VanDerWaalsContact O-CG 3.27Å; S237-L241 WeakPolarHBondContact O-CG 3.36Å; S237-L241 PolarHBondContact O-N 2.99Å; S237-L241 VanDerWaalsContact O-N 3.14Å; L238-L241 PolarHBondContact O-N 2.76Å; H239-L241 VanDerWaalsContact C-N 3.3Å; L241-P243 VanDerWaalsContact O-CD 3.31Å; L241-P243 WeakPolarHBondContact O-CD 3.34Å; L241-A259 HydrophobicContact CD1-CB 3.74Å; L241-P338 HydrophobicContact CD1-CB 3.72Å; L241-P338 HydrophobicContact CD1-CG 4.33Å; L241-L341 HydrophobicContact CB-CD1 3.98Å; L241-L341 HydrophobicContact CD2-CB 3.74Å; L241-L341 HydrophobicContact CD2-CD1 4.38Å; L241-L342 HydrophobicContact CD2-CD2 4.06Å; L241-L342 HydrophobicContact CD2-CG 4.12Å; L241-F347 HydrophobicContact CD2-CB 3.87Å; L241-F450 HydrophobicContact CD1-CE2 4.39Å
242	S	98.7	Very high	98.7	Very high	1 Å²	1	19 Å²	19	1%	0.007	10%	0.102	C	C	.	.			trans	-78.4	116.1	-175.2	-176.1	0	0	0	0	112.7	L238 L244 S245 Q246 F333	L238-S242 VanDerWaalsContact O-CB 3.28Å; L238-S242 WeakPolarHBondContact O-CB 3.31Å; L238-S242 PolarHBondContact O-N 3.17Å; S242-L244 PolarHBondContact O-N 3.37Å; S242-L244 VanDerWaalsContact O-N 3.08Å; S242-S245 PolarHBondContact O-N 3.27Å; S242-Q246 VanDerWaalsContact O-CG 3.27Å; S242-Q246 WeakPolarHBondContact O-CG 3.28Å; S242-Q246 PolarHBondContact O-N 2.9Å; S242-F333 WeakPolarHBondContact CB-O 3.47Å; S242-F333 PolarHBondContact OG-O 2.72Å
243	P	98.2	Very high	98.7	Very high	71 Å²	71	19 Å²	19	46%	0.461	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-27.6	176.8	-24.9	35.4	0	0	0	113.7	L241 S245	L241-P243 VanDerWaalsContact O-CD 3.31Å; L241-P243 WeakPolarHBondContact O-CD 3.34Å; P243-S245 PolarHBondContact O-N 2.85Å
244	L	98.5	Very high	98.7	Very high	63 Å²	63	19 Å²	19	33%	0.33	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-28.9	178.1	-60	-178.4	0	0	0	112.7	L204 S242 Y248 F333	L204-L244 WeakPolarHBondContact CD1-O 3.49Å; L204-L244 HydrophobicContact CD2-CB 3.85Å; L204-L244 HydrophobicContact CD2-CD1 4.33Å; S242-L244 PolarHBondContact O-N 3.37Å; S242-L244 VanDerWaalsContact O-N 3.08Å; L244-Y248 VanDerWaalsContact O-CE2 3.25Å; L244-Y248 WeakPolarHBondContact O-CE2 3.2Å; L244-F333 HydrophobicContact CD1-CD2 4.35Å
245	S	98.7	Very high	98.7	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-28.7	-172	-57.3	0	0	0	0	113.3	H239 S242 P243 P247 Y248 F249 F333	H239-S245 VanDerWaalsContact ND1-CB 3.28Å; H239-S245 WeakPolarHBondContact ND1-CB 3.23Å; H239-S245 PolarHBondContact ND1-OG 3Å; S242-S245 PolarHBondContact O-N 3.27Å; P243-S245 PolarHBondContact O-N 2.85Å; S245-P247 VanDerWaalsContact C-N 3.31Å; S245-P247 VanDerWaalsContact O-N 3.12Å; S245-Y248 PolarHBondContact O-N 2.73Å; S245-F249 WeakPolarHBondContact O-CD1 3.49Å; S245-F249 WeakPolarHBondContact O-CE1 3.1Å; S245-F333 WeakPolarHBondContact OG-CE2 3.27Å
246	Q	98.3	Very high	98.7	Very high	51 Å²	51	19 Å²	19	24%	0.238	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-53.7	-33.2	-171.8	-51.9	-175.7	-2.4	0	0	115.7	L240 S242 Y248 K348	L240-Q246 PolarHBondContact O-NE2 3.15Å; S242-Q246 VanDerWaalsContact O-CG 3.27Å; S242-Q246 WeakPolarHBondContact O-CG 3.28Å; S242-Q246 PolarHBondContact O-N 2.9Å; Q246-Y248 VanDerWaalsContact C-N 3.26Å; Q246-Y248 PolarHBondContact O-N 2.82Å; Q246-K348 HydrophobicContact CB-CB 4.24Å; Q246-K348 HydrophobicContact CB-CD 4.35Å; Q246-K348 HydrophobicContact CB-CG 4.34Å; Q246-K348 HydrophobicContact CG-CB 3.91Å; Q246-K348 PolarHBondContact O-NZ 3.01Å
247	P	98.3	Very high	98.7	Very high	88 Å²	88	19 Å²	19	57%	0.571	10%	0.102	S	C	*	.	G	3₁₀ helix	trans	-68.8	-19	178.2	-23.4	35.9	0	0	0	115	S245	S245-P247 VanDerWaalsContact C-N 3.31Å; S245-P247 VanDerWaalsContact O-N 3.12Å
248	Y	98.7	Very high	98.7	Very high	38 Å²	38	19 Å²	19	15%	0.149	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-98	-2.3	-166.2	-59.2	-66.2	0	0	0	114.8	L204 K208 H211 L244 S245 Q246	L204-Y248 HydrophobicContact CD1-CD2 3.88Å; L204-Y248 HydrophobicContact CD1-CE2 4Å; K208-Y248 HydrophobicContact CB-CE1 4.48Å; K208-Y248 HydrophobicContact CD-CE2 4.49Å; K208-Y248 HydrophobicContact CG-CD1 4.23Å; K208-Y248 HydrophobicContact CG-CD2 4.19Å; K208-Y248 HydrophobicContact CG-CE1 3.78Å; K208-Y248 HydrophobicContact CG-CE2 3.72Å; K208-Y248 HydrophobicContact CG-CG 4.41Å; K208-Y248 VanDerWaalsContact CG-CZ 3.5Å; H211-Y248 HydrophobicContact CB-CD1 3.72Å; H211-Y248 HydrophobicContact CB-CE1 4.48Å; H211-Y248 AromaticContact CG-CD1 3.75Å; L244-Y248 VanDerWaalsContact O-CE2 3.25Å; L244-Y248 WeakPolarHBondContact O-CE2 3.2Å; S245-Y248 PolarHBondContact O-N 2.73Å; Q246-Y248 VanDerWaalsContact C-N 3.26Å; Q246-Y248 PolarHBondContact O-N 2.82Å
249	F	98.8	Very high	98.7	Very high	9 Å²	9	19.1 Å²	19.1	4%	0.039	10%	0.103	C	C	.	.			trans	-146.1	163.8	176.1	69.3	-81.3	0	0	0	111.3	L207 V224 L226 H239 L240 S245 R251 K348	L207-F249 HydrophobicContact CD1-CD1 4.45Å; V224-F249 HydrophobicContact CB-CB 4.29Å; V224-F249 HydrophobicContact CG1-CB 3.9Å; L226-F249 HydrophobicContact CD1-CB 4.27Å; L226-F249 HydrophobicContact CD1-CD1 3.7Å; L226-F249 HydrophobicContact CD1-CD2 3.89Å; L226-F249 HydrophobicContact CD1-CE1 3.89Å; L226-F249 HydrophobicContact CD1-CE2 4.06Å; L226-F249 HydrophobicContact CD1-CG 3.69Å; L226-F249 HydrophobicContact CD1-CZ 4.06Å; L226-F249 HydrophobicContact CD2-CB 4.05Å; L226-F249 HydrophobicContact CD2-CG 4.37Å; L226-F249 HydrophobicContact CG-CB 3.83Å; L226-F249 HydrophobicContact CG-CD1 4.2Å; L226-F249 HydrophobicContact CG-CD2 3.78Å; L226-F249 HydrophobicContact CG-CE2 4.34Å; L226-F249 HydrophobicContact CG-CG 3.68Å; H239-F249 HydrophobicContact CB-CE1 4.05Å; H239-F249 HydrophobicContact CB-CZ 4.24Å; L240-F249 HydrophobicContact CD2-CE2 3.56Å; L240-F249 HydrophobicContact CD2-CZ 3.78Å; L240-F249 HydrophobicContact CG-CE2 4.33Å; L240-F249 HydrophobicContact CG-CZ 4.27Å; S245-F249 WeakPolarHBondContact O-CD1 3.49Å; S245-F249 WeakPolarHBondContact O-CE1 3.1Å; F249-R251 WeakPolarHBondContact CD2-O 3.43Å; F249-K348 HydrophobicContact CD2-CD 4.11Å; F249-K348 HydrophobicContact CE1-CD 4.23Å; F249-K348 HydrophobicContact CE2-CD 3.54Å; F249-K348 HydrophobicContact CZ-CD 3.61Å; F249-K348 WeakPolarHBondContact O-CE 3.42Å; F249-K348 PolarHBondContact O-NZ 3.18Å
250	K	98.6	Very high	98.6	Very high	65 Å²	65	19.7 Å²	19.7	28%	0.283	11%	0.106	S	C	.	.	S	Bend	trans	-105.1	-46.9	-178.2	-172.7	172.2	173.6	-177.7	0	112.6	A222 E223 V224 K348 C350	A222-K250 WeakPolarHBondContact O-CD 3.43Å; E223-K250 IonicContact OE1-NZ 3.38Å; E223-K250 PolarHBondContact OE1-NZ 3.24Å; E223-K250 WeakPolarHBondContact OE2-CD 3.31Å; E223-K250 IonicContact OE2-NZ 3.33Å; E223-K250 PolarHBondContact OE2-NZ 3.23Å; V224-K250 WeakPolarHBondContact O-CA 3.35Å; V224-K250 WeakPolarHBondContact O-CB 3.36Å; V224-K250 PolarHBondContact O-N 2.68Å; K250-K348 VanDerWaalsContact O-CE 3.27Å; K250-K348 WeakPolarHBondContact O-CE 3.3Å; K250-C350 WeakPolarHBondContact O-CB 3.25Å
251	R	98.7	Very high	98.5	Very high	7 Å²	7	20 Å²	20	3%	0.026	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	167.4	-173	-52.9	-173.1	-177.4	92.5	-6.9	112.5	E223 V224 T225 L226 F249 E351 F520 A521 T523 G524	E223-R251 IonicContact OE2-CZ 3.64Å; E223-R251 IonicContact OE2-NH1 2.97Å; E223-R251 PolarHBondContact OE2-NH1 2.88Å; E223-R251 IonicContact OE2-NH2 2.58Å; E223-R251 PolarHBondContact OE2-NH2 3.37Å; V224-R251 PolarHBondContact O-N 2.9Å; T225-R251 WeakPolarHBondContact CA-O 3.2Å; T225-R251 HydrophobicContact CG2-CB 3.98Å; L226-R251 PolarHBondContact N-O 3.19Å; F249-R251 WeakPolarHBondContact CD2-O 3.43Å; R251-E351 WeakPolarHBondContact CD-OE2 3.43Å; R251-E351 WeakPolarHBondContact CG-OE2 3.28Å; R251-E351 IonicContact NE-OE2 2.72Å; R251-E351 PolarHBondContact NE-OE2 3.04Å; R251-F520 HydrophobicContact CB-CE1 3.9Å; R251-F520 HydrophobicContact CB-CZ 4.23Å; R251-F520 WeakPolarHBondContact CD-O 2.97Å; R251-A521 PolarHBondContact NH1-O 3Å; R251-T523 PolarHBondContact NH2-O 2.91Å; R251-G524 VanDerWaalsContact CZ-N 3.32Å; R251-G524 VanDerWaalsContact NE-N 3.19Å
252	A	98.9	Very high	98.4	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	147.1	-179.9	0	0	0	0	0	113.1	L226 V236 L240 L352 L353 F520	L226-A252 CarbonylContact O-C 3.49Å; L226-A252 VanDerWaalsContact O-CA 3.29Å; L226-A252 WeakPolarHBondContact O-CA 3.42Å; V236-A252 HydrophobicContact CG1-CB 3.67Å; L240-A252 HydrophobicContact CD1-CB 3.73Å; L240-A252 HydrophobicContact CD2-CB 3.81Å; L240-A252 HydrophobicContact CG-CB 4Å; A252-L352 HydrophobicContact CB-CD1 3.88Å; A252-L353 PolarHBondContact O-N 2.99Å; A252-F520 WeakPolarHBondContact O-CE1 2.99Å
253	I	99	Very high	98.3	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	125.1	172.3	-52.6	179.5	0	0	0	108.8	M143 T225 L226 F227 G228 Q255 L353 W517 F520	M143-I253 HydrophobicContact CE-CD1 4.47Å; T225-I253 HydrophobicContact CG2-CD1 4.14Å; T225-I253 HydrophobicContact CG2-CG1 4.02Å; L226-I253 PolarHBondContact O-N 3.02Å; F227-I253 WeakPolarHBondContact CA-O 3.48Å; F227-I253 HydrophobicContact CB-CB 3.63Å; F227-I253 HydrophobicContact CB-CD1 4.04Å; F227-I253 HydrophobicContact CB-CG1 4.13Å; F227-I253 HydrophobicContact CB-CG2 4.26Å; G228-I253 PolarHBondContact N-O 2.84Å; I253-Q255 HydrophobicContact CG2-CG 4.07Å; I253-L353 CarbonylContact C-O 3.54Å; I253-L353 VanDerWaalsContact CA-O 3.22Å; I253-L353 WeakPolarHBondContact CA-O 3.4Å; I253-L353 HydrophobicContact CB-CB 4.43Å; I253-L353 HydrophobicContact CG1-CB 4.06Å; I253-L353 HydrophobicContact CG2-CB 4.27Å; I253-L353 HydrophobicContact CG2-CD2 3.8Å; I253-W517 VanDerWaalsContact CD1-CD1 3.41Å; I253-W517 HydrophobicContact CD1-CD2 4.46Å; I253-W517 HydrophobicContact CD1-CG 3.91Å; I253-W517 HydrophobicContact CG2-CZ2 4.06Å; I253-F520 HydrophobicContact CD1-CD1 3.82Å; I253-F520 HydrophobicContact CD1-CE1 4.3Å; I253-F520 HydrophobicContact CG1-CD1 3.71Å; I253-F520 HydrophobicContact CG1-CE1 3.67Å
254	L	98.9	Very high	98.3	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	105.3	-177.7	-56.5	171.1	0	0	0	110	A233 V236 L352 L353 V354 G355 F450	A233-L254 HydrophobicContact CB-CB 4.33Å; A233-L254 HydrophobicContact CB-CD2 4.37Å; A233-L254 WeakPolarHBondContact O-CD2 3.22Å; V236-L254 HydrophobicContact CB-CD2 3.85Å; V236-L254 HydrophobicContact CG1-CD2 3.74Å; L254-L352 HydrophobicContact CD1-CD1 3.78Å; L254-L352 HydrophobicContact CD1-CD2 4.25Å; L254-L352 HydrophobicContact CD1-CG 4.47Å; L254-L352 HydrophobicContact CG-CD1 4Å; L254-L353 PolarHBondContact N-O 2.76Å; L254-V354 HydrophobicContact CB-CB 4.49Å; L254-V354 HydrophobicContact CB-CG1 4.06Å; L254-V354 HydrophobicContact CD1-CG1 3.97Å; L254-V354 HydrophobicContact CG-CG1 4.38Å; L254-V354 CarbonylContact O-C 3.54Å; L254-V354 VanDerWaalsContact O-CA 3.28Å; L254-V354 WeakPolarHBondContact O-CA 3.22Å; L254-G355 PolarHBondContact O-N 2.93Å; L254-G355 VanDerWaalsContact O-N 3.08Å; L254-F450 HydrophobicContact CD1-CD1 3.61Å; L254-F450 HydrophobicContact CD1-CE1 3.7Å; L254-F450 HydrophobicContact CD1-CG 4.31Å; L254-F450 HydrophobicContact CD1-CZ 4.47Å
255	Q	98.9	Very high	98.3	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	113.1	179.7	-58.4	168.7	-153.2	0	0	109.5	G228 E229 S230 A233 I253 G257 Y464 E486 W517	G228-Q255 WeakPolarHBondContact O-CB 3.11Å; G228-Q255 PolarHBondContact O-N 3.19Å; E229-Q255 CarbonylContact C-O 3.57Å; E229-Q255 VanDerWaalsContact CA-O 3.27Å; E229-Q255 WeakPolarHBondContact CA-O 3.32Å; E229-Q255 HydrophobicContact CB-CB 3.91Å; E229-Q255 HydrophobicContact CG-CB 3.92Å; S230-Q255 PolarHBondContact N-O 3.23Å; A233-Q255 VanDerWaalsContact CB-O 3.29Å; A233-Q255 WeakPolarHBondContact CB-O 3.31Å; I253-Q255 HydrophobicContact CG2-CG 4.07Å; Q255-G257 PolarHBondContact O-N 2.84Å; Q255-Y464 WeakPolarHBondContact CB-OH 3.36Å; Q255-Y464 WeakPolarHBondContact CG-OH 3.36Å; Q255-E486 PolarHBondContact NE2-OE1 3.41Å; Q255-W517 HydrophobicContact CG-CZ2 4.12Å
256	S	98.8	Very high	98.1	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.104	C	C	.	.	S	Bend	trans	54.1	34.7	172	-49.5	0	0	0	0	114.2	G355 E360 F443 H483	S256-G355 PolarHBondContact N-O 2.97Å; S256-E360 VanDerWaalsContact CB-OE1 3.29Å; S256-E360 WeakPolarHBondContact CB-OE1 3.35Å; S256-E360 PolarHBondContact OG-OE1 3.31Å; S256-F443 VanDerWaalsContact O-CD1 3.28Å; S256-F443 WeakPolarHBondContact O-CD1 3.5Å; S256-H483 PolarHBondContact O-CE1 3.31Å
257	G	98.7	Very high	98	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.106	C	C	.	.			trans	-170.9	154	178.3	0	0	0	0	0	113.7	A233 Q255 V447	A233-G257 WeakPolarHBondContact CB-O 3.5Å; Q255-G257 PolarHBondContact O-N 2.84Å; G257-V447 VanDerWaalsContact N-CG2 3.35Å
258	S	98.5	Very high	98	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.09	C	C	.	.			trans	-158.1	161.2	177.8	70.5	0	0	0	0	111.1	I260 A261 A264 G446	S258-I260 PolarHBondContact O-N 3.41Å; S258-I260 VanDerWaalsContact O-N 3.15Å; S258-I260 WeakPolarHBondContact OG-CG1 3.39Å; S258-A261 VanDerWaalsContact O-CB 3.29Å; S258-A261 WeakPolarHBondContact O-CB 3.44Å; S258-A261 PolarHBondContact O-N 3.18Å; S258-A261 VanDerWaalsContact O-N 3.1Å; S258-A264 WeakPolarHBondContact O-CB 3.37Å; S258-G446 PolarHBondContact OG-O 3.17Å
259	A	98.4	Very high	97.8	Very high	4 Å²	4	21.9 Å²	21.9	3%	0.033	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-15.1	179.5	0	0	0	0	0	113.6	S237 L238 L241 P338	S237-A259 WeakPolarHBondContact OG-CA 3.4Å; S237-A259 VanDerWaalsContact OG-CB 3.28Å; S237-A259 WeakPolarHBondContact OG-CB 3.49Å; S237-A259 PolarHBondContact OG-N 3.11Å; L238-A259 HydrophobicContact CD2-CB 3.66Å; L238-A259 HydrophobicContact CG-CB 3.86Å; L241-A259 HydrophobicContact CD1-CB 3.74Å; A259-P338 HydrophobicContact CB-CB 3.94Å; A259-P338 HydrophobicContact CB-CG 4.09Å
260	I	97.1	Very high	97.7	Very high	13 Å²	13	23.3 Å²	23.3	7%	0.067	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	5.6	178.1	60.8	170.5	0	0	0	113.1	S258 P338 R339 L342 G446 E449 F450	S258-I260 PolarHBondContact O-N 3.41Å; S258-I260 VanDerWaalsContact O-N 3.15Å; S258-I260 WeakPolarHBondContact OG-CG1 3.39Å; I260-P338 HydrophobicContact CG2-CB 3.79Å; I260-R339 HydrophobicContact CB-CG 4.17Å; I260-R339 HydrophobicContact CG2-CG 3.59Å; I260-L342 HydrophobicContact CD1-CD1 4.27Å; I260-L342 HydrophobicContact CG2-CD1 3.69Å; I260-G446 WeakPolarHBondContact CD1-O 3.41Å; I260-E449 HydrophobicContact CD1-CB 3.72Å; I260-E449 HydrophobicContact CD1-CG 3.63Å; I260-F450 HydrophobicContact CD1-CB 4.36Å
261	A	97.7	Very high	97.6	Very high	5 Å²	5	20.2 Å²	20.2	4%	0.041	11%	0.108	C	C	.	.	S	Bend	trans	-65.8	142	169.1	0	0	0	0	0	109.8	S258 W263 A264 H442	S258-A261 VanDerWaalsContact O-CB 3.29Å; S258-A261 WeakPolarHBondContact O-CB 3.44Å; S258-A261 PolarHBondContact O-N 3.18Å; S258-A261 VanDerWaalsContact O-N 3.1Å; A261-W263 HydrophobicContact CB-CD2 4.29Å; A261-W263 HydrophobicContact CB-CZ2 3.96Å; A261-W263 PolarHBondContact O-N 3.02Å; A261-A264 HydrophobicContact CB-CB 4.16Å; A261-A264 WeakPolarHBondContact O-CB 3.49Å; A261-A264 PolarHBondContact O-N 2.67Å; A261-H442 WeakPolarHBondContact CB-O 3.25Å
262	P	95.7	Very high	97.5	Very high	56 Å²	56	21.9 Å²	21.9	36%	0.364	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-24.7	-175.4	-26	33.8	0	0	0	115.5	Y441	P262-Y441 HydrophobicContact CB-CE1 3.92Å; P262-Y441 VanDerWaalsContact CD-O 3.29Å; P262-Y441 WeakPolarHBondContact CD-O 3.34Å; P262-Y441 HydrophobicContact CG-CD1 4.14Å; P262-Y441 HydrophobicContact CG-CD2 4.24Å; P262-Y441 HydrophobicContact CG-CE1 3.64Å; P262-Y441 HydrophobicContact CG-CE2 3.77Å; P262-Y441 HydrophobicContact CG-CG 4.41Å; P262-Y441 VanDerWaalsContact CG-CZ 3.43Å; P262-Y441 WeakPolarHBondContact CG-O 3.44Å
263	W	96.8	Very high	97.3	Very high	9 Å²	9	27 Å²	27	3%	0.034	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-6.3	-178.4	55	-99.3	0	0	0	113.3	F151 A234 A261 M265 L321 F323 H442 F443	F151-W263 HydrophobicContact CE2-CE3 4.48Å; F151-W263 HydrophobicContact CE2-CZ3 4.09Å; A234-W263 HydrophobicContact CB-CH2 4Å; A234-W263 HydrophobicContact CB-CZ3 4.03Å; A261-W263 HydrophobicContact CB-CD2 4.29Å; A261-W263 HydrophobicContact CB-CZ2 3.96Å; A261-W263 PolarHBondContact O-N 3.02Å; W263-M265 VanDerWaalsContact C-N 3.34Å; W263-L321 WeakPolarHBondContact CB-O 3.39Å; W263-F323 HydrophobicContact CB-CD2 4.09Å; W263-F323 HydrophobicContact CB-CE2 4.02Å; W263-F323 HydrophobicContact CD2-CE2 4.09Å; W263-F323 HydrophobicContact CE3-CD2 4.28Å; W263-F323 AromaticContact CE3-CE2 3.93Å; W263-F323 HydrophobicContact CE3-CE2 3.93Å; W263-F323 HydrophobicContact CG-CE2 4.14Å; W263-H442 AromaticContact CD1-ND1 3.7Å; W263-H442 PolarHBondContact NE1-O 3.25Å; W263-F443 AromaticContact CE2-CE1 3.7Å; W263-F443 AromaticContact CZ2-CD1 3.86Å; W263-F443 HydrophobicContact CZ2-CD1 3.86Å; W263-F443 AromaticContact CZ2-CE1 3.57Å; W263-F443 HydrophobicContact CZ2-CE1 3.57Å; W263-F443 AromaticContact NE1-CD1 3.84Å; W263-F443 AromaticContact NE1-CE1 3.53Å; W263-F443 AromaticContact NE1-CZ 3.96Å
264	A	98.3	Very high	97.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.144	C	C	.	.	S	Bend	trans	-78.2	-19.8	-171.9	0	0	0	0	0	113.5	A234 S258 A261 P327	A234-A264 HydrophobicContact CB-CB 3.98Å; S258-A264 WeakPolarHBondContact O-CB 3.37Å; A261-A264 HydrophobicContact CB-CB 4.16Å; A261-A264 WeakPolarHBondContact O-CB 3.49Å; A261-A264 PolarHBondContact O-N 2.67Å; A264-P327 WeakPolarHBondContact O-CD 3.36Å
265	M	97.7	Very high	97	Very high	28 Å²	28	27.7 Å²	27.7	14%	0.138	14%	0.144	C	C	.	.			trans	-147.4	156.6	-178.6	-69.3	-167.3	56.1	0	0	111.6	L238 W263 P327 V329 V334 P338	L238-M265 HydrophobicContact CD2-SD 3.9Å; W263-M265 VanDerWaalsContact C-N 3.34Å; M265-P327 CarbonylContact C-O 3.59Å; M265-P327 WeakPolarHBondContact CA-O 3.49Å; M265-P327 HydrophobicContact CG-CB 4.18Å; M265-V329 HydrophobicContact CE-CB 4.41Å; M265-V329 HydrophobicContact CE-CG2 3.5Å; M265-V329 VanDerWaalsContact CE-CG2 3.5Å; M265-V334 HydrophobicContact CE-CG1 3.96Å; M265-V334 HydrophobicContact SD-CG1 4.36Å; M265-P338 HydrophobicContact CE-CG 4.43Å; M265-P338 WeakPolarHBondContact SD-CD 3.5Å; M265-P338 HydrophobicContact SD-CG 3.19Å; M265-P338 WeakPolarHBondContact SD-CG 3.25Å
266	E	96.2	Very high	96.9	Very high	44 Å²	44	28.1 Å²	28.1	21%	0.206	15%	0.146	C	C	.	.	B	Isolated β-bridge	trans	-133.7	155	174.7	-176.5	57.3	-93.5	0	0	110.8	T270 L271 R274 V326 P327 V328	E266-T270 HydrophobicContact CG-CG2 3.74Å; E266-T270 VanDerWaalsContact OE1-CB 3.27Å; E266-T270 WeakPolarHBondContact OE1-CB 3.37Å; E266-T270 PolarHBondContact OE1-OG1 3.31Å; E266-T270 VanDerWaalsContact OE1-OG1 3.1Å; E266-T270 WeakPolarHBondContact OE2-CG2 3.43Å; E266-L271 HydrophobicContact CB-CD1 4.44Å; E266-L271 HydrophobicContact CB-CD2 4.02Å; E266-L271 HydrophobicContact CB-CG 4.05Å; E266-L271 HydrophobicContact CG-CD2 3.88Å; E266-L271 HydrophobicContact CG-CG 3.84Å; E266-R274 IonicContact OE2-CZ 3.31Å; E266-R274 IonicContact OE2-NH1 3.72Å; E266-R274 IonicContact OE2-NH2 2.69Å; E266-R274 PolarHBondContact OE2-NH2 3.22Å; E266-V326 HydrophobicContact CB-CG2 3.46Å; E266-V326 VanDerWaalsContact CB-CG2 3.46Å; E266-P327 PolarHBondContact N-O 3.17Å; E266-V328 WeakPolarHBondContact O-CG2 3.38Å
267	S	96.1	Very high	96.7	Very high	40 Å²	40	31.3 Å²	31.3	28%	0.28	16%	0.163	S	C	.	.			trans	-69.5	152.5	175.8	64.1	0	0	0	0	112.5	E269 T270 L271	S267-E269 PolarHBondContact O-N 3.04Å; S267-T270 PolarHBondContact O-N 2.96Å; S267-T270 WeakPolarHBondContact OG-CB 3.39Å; S267-T270 PolarHBondContact OG-N 3.5Å; S267-T270 PolarHBondContact OG-OG1 3.35Å; S267-L271 WeakPolarHBondContact O-CG 3.45Å; S267-L271 PolarHBondContact O-N 3.2Å; S267-L271 VanDerWaalsContact O-N 3.12Å
268	Q	97.2	Very high	96.5	Very high	51 Å²	51	31.3 Å²	31.3	24%	0.238	16%	0.163	C	C	.	.	H	α-helix	trans	-58.8	-41.2	175.8	-68.6	-178.5	0.9	0	0	111	Y188 L271 L272 V328 V329	Y188-Q268 HydrophobicContact CD1-CB 4.44Å; Y188-Q268 HydrophobicContact CE1-CB 3.71Å; Y188-Q268 HydrophobicContact CE1-CG 3.84Å; Y188-Q268 HydrophobicContact CE2-CG 4.28Å; Y188-Q268 PolarHBondContact OH-NE2 3.47Å; Y188-Q268 PolarHBondContact OH-OE1 3.4Å; Q268-L271 PolarHBondContact O-N 3.34Å; Q268-L272 VanDerWaalsContact O-CG 3.23Å; Q268-L272 WeakPolarHBondContact O-CG 3.34Å; Q268-L272 PolarHBondContact O-N 2.98Å; Q268-V328 HydrophobicContact CB-CG2 4.41Å; Q268-V328 HydrophobicContact CG-CG2 3.55Å; Q268-V329 PolarHBondContact NE2-O 2.99Å
269	E	95.5	Very high	96.3	Very high	129 Å²	129	31.3 Å²	31.3	60%	0.603	16%	0.163	S	C	*	.	H	α-helix	trans	-59.4	-52.9	179.8	-65.1	80.6	-178.7	0	0	111.5	S267 L271 L272 E273	S267-E269 PolarHBondContact O-N 3.04Å; E269-L271 VanDerWaalsContact C-N 3.34Å; E269-L271 PolarHBondContact O-N 3.41Å; E269-L272 PolarHBondContact O-N 2.98Å; E269-E273 WeakPolarHBondContact O-CG 3.41Å; E269-E273 PolarHBondContact O-N 2.82Å
270	T	95.1	Very high	96	Very high	38 Å²	38	35.3 Å²	35.3	23%	0.233	18%	0.181	C	C	.	.	H	α-helix	trans	-61.6	-41.9	179.4	-58.9	0	0	0	0	111.5	E266 S267 L272 E273 R274	E266-T270 HydrophobicContact CG-CG2 3.74Å; E266-T270 VanDerWaalsContact OE1-CB 3.27Å; E266-T270 WeakPolarHBondContact OE1-CB 3.37Å; E266-T270 PolarHBondContact OE1-OG1 3.31Å; E266-T270 VanDerWaalsContact OE1-OG1 3.1Å; E266-T270 WeakPolarHBondContact OE2-CG2 3.43Å; S267-T270 PolarHBondContact O-N 2.96Å; S267-T270 WeakPolarHBondContact OG-CB 3.39Å; S267-T270 PolarHBondContact OG-N 3.5Å; S267-T270 PolarHBondContact OG-OG1 3.35Å; T270-L272 VanDerWaalsContact C-N 3.33Å; T270-L272 PolarHBondContact O-N 3.47Å; T270-E273 PolarHBondContact O-N 2.86Å; T270-R274 HydrophobicContact CG2-CG 4.29Å; T270-R274 VanDerWaalsContact O-CG 3.31Å; T270-R274 WeakPolarHBondContact O-CG 3.36Å; T270-R274 PolarHBondContact O-N 3.44Å
271	L	97.3	Very high	95.7	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-64.7	-36.6	178.9	-69.3	179.8	0	0	0	112.5	Y188 E266 S267 Q268 E269 R274 A275 W325 V328	Y188-L271 HydrophobicContact CD1-CB 4.28Å; Y188-L271 HydrophobicContact CG-CD1 4.44Å; E266-L271 HydrophobicContact CB-CD1 4.44Å; E266-L271 HydrophobicContact CB-CD2 4.02Å; E266-L271 HydrophobicContact CB-CG 4.05Å; E266-L271 HydrophobicContact CG-CD2 3.88Å; E266-L271 HydrophobicContact CG-CG 3.84Å; S267-L271 WeakPolarHBondContact O-CG 3.45Å; S267-L271 PolarHBondContact O-N 3.2Å; S267-L271 VanDerWaalsContact O-N 3.12Å; Q268-L271 PolarHBondContact O-N 3.34Å; E269-L271 VanDerWaalsContact C-N 3.34Å; E269-L271 PolarHBondContact O-N 3.41Å; L271-R274 PolarHBondContact O-N 3.49Å; L271-A275 WeakPolarHBondContact O-CB 3.25Å; L271-A275 PolarHBondContact O-N 3.43Å; L271-W325 HydrophobicContact CD2-CE3 4.39Å; L271-V328 HydrophobicContact CD1-CB 3.62Å; L271-V328 HydrophobicContact CD1-CG1 4.25Å; L271-V328 HydrophobicContact CD1-CG2 3.9Å
272	L	96.4	Very high	95.5	Very high	42 Å²	42	36.8 Å²	36.8	22%	0.22	19%	0.194	C	C	.	.	H	α-helix	trans	-66	-41.3	173.8	-68.7	172.9	0	0	0	111.6	Y188 Q268 E269 T270 A275 L276 F295	Y188-L272 HydrophobicContact CD1-CD2 3.98Å; Y188-L272 HydrophobicContact CD1-CG 4.05Å; Y188-L272 HydrophobicContact CE1-CD1 4.24Å; Y188-L272 HydrophobicContact CE1-CD2 3.99Å; Y188-L272 HydrophobicContact CE1-CG 3.95Å; Q268-L272 VanDerWaalsContact O-CG 3.23Å; Q268-L272 WeakPolarHBondContact O-CG 3.34Å; Q268-L272 PolarHBondContact O-N 2.98Å; E269-L272 PolarHBondContact O-N 2.98Å; T270-L272 VanDerWaalsContact C-N 3.33Å; T270-L272 PolarHBondContact O-N 3.47Å; L272-A275 PolarHBondContact O-N 2.99Å; L272-L276 WeakPolarHBondContact O-CG 3.39Å; L272-L276 PolarHBondContact O-N 3.37Å; L272-L276 VanDerWaalsContact O-N 3.09Å; L272-F295 HydrophobicContact CB-CE1 4.48Å; L272-F295 HydrophobicContact CB-CZ 4.08Å; L272-F295 HydrophobicContact CD1-CZ 4.5Å; L272-F295 HydrophobicContact CD2-CD1 4.29Å; L272-F295 HydrophobicContact CD2-CE1 3.8Å; L272-F295 HydrophobicContact CD2-CE2 4.1Å; L272-F295 HydrophobicContact CD2-CZ 3.7Å; L272-F295 HydrophobicContact CG-CZ 4.3Å
273	E	94.4	Very high	95.4	Very high	108 Å²	108	41.9 Å²	41.9	51%	0.505	21%	0.21	S	C	.	.	H	α-helix	trans	-62.1	-45.9	174.6	-71.3	-178.7	175.1	0	0	111.6	E269 T270 A275 L276 L277 I288	E269-E273 WeakPolarHBondContact O-CG 3.41Å; E269-E273 PolarHBondContact O-N 2.82Å; T270-E273 PolarHBondContact O-N 2.86Å; E273-A275 VanDerWaalsContact C-N 3.3Å; E273-A275 PolarHBondContact O-N 2.74Å; E273-L276 WeakPolarHBondContact O-CB 3.36Å; E273-L276 PolarHBondContact O-N 2.94Å; E273-L276 VanDerWaalsContact O-N 3.1Å; E273-L277 PolarHBondContact O-N 2.86Å; E273-I288 HydrophobicContact CB-CD1 4.47Å
274	R	95.9	Very high	95.3	Very high	14 Å²	14	41.7 Å²	41.7	5%	0.053	21%	0.21	C	C	.	.	H	α-helix	trans	-59.2	-40.7	175.3	-71.1	-179.5	-172.9	174.8	7.1	111.8	E266 T270 L271 L276 L277 L278 V316 D322 F323 P324 W325	E266-R274 IonicContact OE2-CZ 3.31Å; E266-R274 IonicContact OE2-NH1 3.72Å; E266-R274 IonicContact OE2-NH2 2.69Å; E266-R274 PolarHBondContact OE2-NH2 3.22Å; T270-R274 HydrophobicContact CG2-CG 4.29Å; T270-R274 VanDerWaalsContact O-CG 3.31Å; T270-R274 WeakPolarHBondContact O-CG 3.36Å; T270-R274 PolarHBondContact O-N 3.44Å; L271-R274 PolarHBondContact O-N 3.49Å; R274-L276 VanDerWaalsContact C-N 3.3Å; R274-L276 PolarHBondContact O-N 2.9Å; R274-L277 PolarHBondContact O-N 3.18Å; R274-L278 PolarHBondContact O-N 3.17Å; R274-V316 HydrophobicContact CB-CG2 3.69Å; R274-V316 HydrophobicContact CG-CG2 3.69Å; R274-D322 IonicContact CZ-OD1 2.69Å; R274-D322 IonicContact CZ-OD2 2.78Å; R274-D322 IonicContact NH1-OD1 3.6Å; R274-D322 PolarHBondContact NH1-OD1 2.94Å; R274-D322 VanDerWaalsContact NH2-CG 3.26Å; R274-D322 IonicContact NH2-OD1 2.64Å; R274-D322 PolarHBondContact NH2-OD1 2.68Å; R274-D322 IonicContact NH2-OD2 3.45Å; R274-D322 PolarHBondContact NH2-OD2 2.8Å; R274-F323 PolarHBondContact NH1-O 2.95Å; R274-P324 VanDerWaalsContact CD-O 3.24Å; R274-P324 WeakPolarHBondContact CD-O 3.39Å; R274-P324 PolarHBondContact NH1-O 3.48Å; R274-W325 HydrophobicContact CB-CH2 3.82Å; R274-W325 HydrophobicContact CB-CZ3 3.94Å
275	A	97	Very high	95.1	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-63.8	-34	175.9	0	0	0	0	0	113.1	L187 L189 L271 L272 E273 S279 L298 W325	L187-A275 HydrophobicContact CD1-CB 4.26Å; L189-A275 HydrophobicContact CD2-CB 3.43Å; L189-A275 VanDerWaalsContact CD2-CB 3.43Å; L271-A275 WeakPolarHBondContact O-CB 3.25Å; L271-A275 PolarHBondContact O-N 3.43Å; L272-A275 PolarHBondContact O-N 2.99Å; E273-A275 VanDerWaalsContact C-N 3.3Å; E273-A275 PolarHBondContact O-N 2.74Å; A275-S279 WeakPolarHBondContact O-CB 3.35Å; A275-S279 PolarHBondContact O-N 3.11Å; A275-L298 HydrophobicContact CB-CD2 4.3Å; A275-W325 HydrophobicContact CB-CH2 4.41Å; A275-W325 HydrophobicContact CB-CZ3 4.47Å
276	L	95.9	Very high	94.9	Very high	10 Å²	10	46.8 Å²	46.8	5%	0.052	24%	0.238	C	C	.	.	H	α-helix	trans	-72.4	-35	175.2	-65.4	167	0	0	0	112	L272 E273 R274 S279 E280 V286 I288 P293 F295 L298	L272-L276 WeakPolarHBondContact O-CG 3.39Å; L272-L276 PolarHBondContact O-N 3.37Å; L272-L276 VanDerWaalsContact O-N 3.09Å; E273-L276 WeakPolarHBondContact O-CB 3.36Å; E273-L276 PolarHBondContact O-N 2.94Å; E273-L276 VanDerWaalsContact O-N 3.1Å; R274-L276 VanDerWaalsContact C-N 3.3Å; R274-L276 PolarHBondContact O-N 2.9Å; L276-S279 VanDerWaalsContact O-CB 3.29Å; L276-S279 WeakPolarHBondContact O-CB 3.37Å; L276-S279 PolarHBondContact O-N 2.84Å; L276-E280 PolarHBondContact O-N 2.72Å; L276-V286 HydrophobicContact CD2-CG1 3.76Å; L276-I288 HydrophobicContact CB-CB 4.04Å; L276-I288 HydrophobicContact CB-CG1 4.43Å; L276-I288 HydrophobicContact CD1-CB 4.47Å; L276-I288 HydrophobicContact CD1-CG1 4.29Å; L276-P293 HydrophobicContact CD1-CB 4.25Å; L276-P293 HydrophobicContact CD1-CG 3.86Å; L276-P293 HydrophobicContact CD2-CB 3.62Å; L276-P293 HydrophobicContact CD2-CG 4.1Å; L276-F295 HydrophobicContact CD1-CE1 4.45Å; L276-F295 HydrophobicContact CD1-CZ 4.23Å; L276-F295 HydrophobicContact CD2-CE1 3.95Å; L276-F295 HydrophobicContact CD2-CZ 4.38Å; L276-F295 HydrophobicContact CG-CE1 4.12Å; L276-F295 HydrophobicContact CG-CZ 4.4Å; L276-L298 HydrophobicContact CD2-CD2 4.48Å
277	L	94.5	Very high	94.7	Very high	67 Å²	67	46.6 Å²	46.6	35%	0.351	24%	0.24	S	C	.	.	H	α-helix	trans	-65	-44	171.6	-65.6	174.8	0	0	0	111.5	E273 R274 S279 E280 A281 V316	E273-L277 PolarHBondContact O-N 2.86Å; R274-L277 PolarHBondContact O-N 3.18Å; L277-S279 VanDerWaalsContact C-N 3.29Å; L277-S279 PolarHBondContact O-N 3.25Å; L277-E280 PolarHBondContact O-N 2.84Å; L277-A281 PolarHBondContact O-N 3.16Å; L277-V316 HydrophobicContact CB-CB 4.11Å; L277-V316 HydrophobicContact CB-CG1 3.88Å; L277-V316 HydrophobicContact CD1-CB 4.13Å
278	L	95.2	Very high	94.3	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-60.1	-40.6	173.1	179.1	66.5	0	0	0	111.4	L183 R274 E280 A281 C282 L302 N313 W325	L183-L278 HydrophobicContact CD1-CD2 4.23Å; R274-L278 PolarHBondContact O-N 3.17Å; L278-E280 VanDerWaalsContact C-N 3.3Å; L278-E280 PolarHBondContact O-N 2.94Å; L278-A281 PolarHBondContact O-N 3.42Å; L278-C282 WeakPolarHBondContact O-CB 2.98Å; L278-C282 PolarHBondContact O-N 2.99Å; L278-L302 HydrophobicContact CD2-CD2 4.23Å; L278-L302 HydrophobicContact CG-CD2 4.42Å; L278-N313 HydrophobicContact CD1-CB 3.92Å; L278-N313 WeakPolarHBondContact CD1-O 3.21Å; L278-W325 HydrophobicContact CB-CH2 4.35Å; L278-W325 HydrophobicContact CB-CZ2 4.24Å; L278-W325 HydrophobicContact CD2-CH2 4.2Å; L278-W325 HydrophobicContact CD2-CZ2 3.86Å
279	S	95.1	Very high	94	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-56.9	-41.4	177.3	-180	0	0	0	0	112.9	A275 L276 L277 C282 K283 C284 V286 L298	A275-S279 WeakPolarHBondContact O-CB 3.35Å; A275-S279 PolarHBondContact O-N 3.11Å; L276-S279 VanDerWaalsContact O-CB 3.29Å; L276-S279 WeakPolarHBondContact O-CB 3.37Å; L276-S279 PolarHBondContact O-N 2.84Å; L277-S279 VanDerWaalsContact C-N 3.29Å; L277-S279 PolarHBondContact O-N 3.25Å; S279-C282 CarbonylContact O-C 3.59Å; S279-K283 PolarHBondContact O-N 2.84Å; S279-C284 PolarHBondContact O-N 3.49Å; S279-C284 WeakPolarHBondContact OG-CB 3.29Å; S279-V286 WeakPolarHBondContact CB-O 2.99Å; S279-V286 PolarHBondContact OG-O 2.56Å; S279-L298 VanDerWaalsContact CB-CD1 3.43Å; S279-L298 WeakPolarHBondContact OG-CD1 3.3Å
280	E	90.6	Very high	93.8	Very high	88 Å²	88	53.7 Å²	53.7	41%	0.411	26%	0.263	S	S	.	.	H	α-helix	trans	-65.7	-44.2	177	-70.5	-178.5	-171.4	0	0	111.4	L276 L277 L278 C282 K283 T287 I288	L276-E280 PolarHBondContact O-N 2.72Å; L277-E280 PolarHBondContact O-N 2.84Å; L278-E280 VanDerWaalsContact C-N 3.3Å; L278-E280 PolarHBondContact O-N 2.94Å; E280-C282 PolarHBondContact O-N 3.35Å; E280-K283 PolarHBondContact O-N 3.39Å; E280-T287 HydrophobicContact CG-CG2 4.28Å; E280-I288 PolarHBondContact OE1-N 3.39Å
281	A	90.7	Very high	93.5	Very high	39 Å²	39	63.7 Å²	63.7	32%	0.322	30%	0.296	S	S	.	.	H	α-helix	trans	-64.2	-39.6	177.4	0	0	0	0	0	112.6	L277 L278 K283 N313	L277-A281 PolarHBondContact O-N 3.16Å; L278-A281 PolarHBondContact O-N 3.42Å; A281-K283 VanDerWaalsContact C-N 3.33Å; A281-N313 HydrophobicContact CB-CB 3.79Å
282	C	94.5	Very high	93.3	Very high	9 Å²	9	68.6 Å²	68.6	6%	0.061	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	4.4	178.1	-65	0	0	0	0	114.2	L278 S279 E280 C284 L302 V305	L278-C282 WeakPolarHBondContact O-CB 2.98Å; L278-C282 PolarHBondContact O-N 2.99Å; S279-C282 CarbonylContact O-C 3.59Å; E280-C282 PolarHBondContact O-N 3.35Å; C282-C284 VanDerWaalsContact C-N 3.35Å; C282-C284 PolarHBondContact O-N 3.08Å; C282-L302 HydrophobicContact CB-CD2 4.35Å; C282-V305 HydrophobicContact CB-CG1 4.45Å; C282-V305 HydrophobicContact CB-CG2 4.11Å
283	K	94	Very high	93.2	Very high	164 Å²	164	68.1 Å²	68.1	71%	0.713	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.5	40.7	177.1	-53.8	173.5	-174.4	166.3	0	114	S279 E280 A281 N285	S279-K283 PolarHBondContact O-N 2.84Å; E280-K283 PolarHBondContact O-N 3.39Å; A281-K283 VanDerWaalsContact C-N 3.33Å; K283-N285 VanDerWaalsContact C-N 3.29Å; K283-N285 PolarHBondContact O-N 3.13Å
284	C	95	Very high	93.3	Very high	4 Å²	4	66.6 Å²	66.6	3%	0.027	33%	0.325	C	S	.	.			trans	-83.2	3.3	-178.4	-71.8	0	0	0	0	115.3	S279 C282 V286 Q297 L298 C301	S279-C284 PolarHBondContact O-N 3.49Å; S279-C284 WeakPolarHBondContact OG-CB 3.29Å; C282-C284 VanDerWaalsContact C-N 3.35Å; C282-C284 PolarHBondContact O-N 3.08Å; C284-V286 PolarHBondContact O-N 2.83Å; C284-V286 VanDerWaalsContact O-N 3.16Å; C284-Q297 PolarHBondContact O-NE2 3.34Å; C284-L298 HydrophobicContact CB-CD1 3.7Å; C284-C301 WeakPolarHBondContact CA-SG 3.29Å; C284-C301 HydrophobicContact CB-CB 3.51Å; C284-C301 WeakPolarHBondContact CB-SG 3.4Å; C284-C301 WeakPolarHBondContact SG-CB 3.27Å; C284-C301 CovalentContact SG-SG 2.03Å; C284-C301 PolarHBondContact SG-SG 3.28Å
285	N	92.9	Very high	93.3	Very high	135 Å²	135	67.1 Å²	67.1	72%	0.722	33%	0.328	S	S	*	.	S	Bend	trans	54.2	29.9	178.3	-63.2	-24.3	0	0	0	114.4	K283 Q297	K283-N285 VanDerWaalsContact C-N 3.29Å; K283-N285 PolarHBondContact O-N 3.13Å; N285-Q297 PolarHBondContact O-NE2 2.98Å
286	V	94.5	Very high	93.3	Very high	1 Å²	1	69.8 Å²	69.8	1%	0.006	34%	0.344	C	S	.	.			trans	-125.5	122.6	167.9	-178.2	0	0	0	0	105.9	L276 S279 C284 P293 Q297 L298	L276-V286 HydrophobicContact CD2-CG1 3.76Å; S279-V286 WeakPolarHBondContact CB-O 2.99Å; S279-V286 PolarHBondContact OG-O 2.56Å; C284-V286 PolarHBondContact O-N 2.83Å; C284-V286 VanDerWaalsContact O-N 3.16Å; V286-P293 HydrophobicContact CG1-CB 3.78Å; V286-Q297 HydrophobicContact CG2-CB 4.07Å; V286-Q297 HydrophobicContact CG2-CG 3.92Å; V286-L298 HydrophobicContact CB-CB 4.4Å; V286-L298 HydrophobicContact CG2-CB 4.24Å
287	T	90.8	Very high	93.3	Very high	40 Å²	40	73 Å²	73	25%	0.245	36%	0.359	C	S	.	.			trans	-123	158.7	-168.5	75.8	0	0	0	0	111.7	E280 R289 D290	E280-T287 HydrophobicContact CG-CG2 4.28Å; T287-R289 PolarHBondContact O-N 2.03Å; T287-R289 VanDerWaalsContact O-N 3.13Å; T287-R289 PolarHBondContact OG1-N 3.29Å; T287-D290 PolarHBondContact N-OD2 3.42Å; T287-D290 WeakPolarHBondContact O-CB 3.32Å; T287-D290 PolarHBondContact O-N 3.37Å; T287-D290 VanDerWaalsContact O-N 3.08Å; T287-D290 PolarHBondContact OG1-N 3.48Å; T287-D290 PolarHBondContact OG1-OD1 2.79Å
288	I	88.7	Confident	93.5	Very high	79 Å²	79	69.8 Å²	69.8	41%	0.405	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-15.9	174	-160.7	166.7	0	0	0	112.5	E273 L276 E280	E273-I288 HydrophobicContact CB-CD1 4.47Å; L276-I288 HydrophobicContact CB-CB 4.04Å; L276-I288 HydrophobicContact CB-CG1 4.43Å; L276-I288 HydrophobicContact CD1-CB 4.47Å; L276-I288 HydrophobicContact CD1-CG1 4.29Å; E280-I288 PolarHBondContact OE1-N 3.39Å
289	R	90.4	Very high	93.6	Very high	226 Å²	226	69.9 Å²	69.9	85%	0.853	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-10.4	177.6	-58.8	-178.4	-178.9	-179.2	1.1	113	T287 R291	T287-R289 PolarHBondContact O-N 2.03Å; T287-R289 VanDerWaalsContact O-N 3.13Å; T287-R289 PolarHBondContact OG1-N 3.29Å; R289-R291 PolarHBondContact O-N 3.1Å
290	D	90.4	Very high	93.7	Very high	64 Å²	64	75.2 Å²	75.2	34%	0.342	37%	0.368	S	S	.	.			trans	-69.5	128.8	178.5	-61.5	-19.4	0	0	0	109.1	T287 S292 P293	T287-D290 PolarHBondContact N-OD2 3.42Å; T287-D290 WeakPolarHBondContact O-CB 3.32Å; T287-D290 PolarHBondContact O-N 3.37Å; T287-D290 VanDerWaalsContact O-N 3.08Å; T287-D290 PolarHBondContact OG1-N 3.48Å; T287-D290 PolarHBondContact OG1-OD1 2.79Å; D290-S292 PolarHBondContact O-N 3.09Å; D290-S292 VanDerWaalsContact O-N 3.14Å; D290-P293 HydrophobicContact CB-CB 4.41Å; D290-P293 HydrophobicContact CB-CG 4.15Å; D290-P293 WeakPolarHBondContact O-CD 3.5Å
291	R	89.7	Confident	94	Very high	248 Å²	248	72.4 Å²	72.4	94%	0.936	36%	0.357	S	S	*	.	S	Bend	trans	-60.4	-26.8	178.2	-171.8	177.5	-179.2	-174.3	0.8	112.6	R289	R289-R291 PolarHBondContact O-N 3.1Å
292	S	93.1	Very high	94.4	Very high	103 Å²	103	70.5 Å²	70.5	72%	0.72	34%	0.342	S	S	*	.	S	Bend	trans	-146.7	83.2	177.6	-59.4	0	0	0	0	108.6	D290 N294	D290-S292 PolarHBondContact O-N 3.09Å; D290-S292 VanDerWaalsContact O-N 3.14Å; S292-N294 PolarHBondContact O-N 2.91Å
293	P	94.5	Very high	94.5	Very high	31 Å²	31	72 Å²	72	20%	0.201	35%	0.349	C	S	.	.			trans	-57.8	132.1	-176.8	-22.1	32.2	0	0	0	111.7	L276 V286 D290 F295	L276-P293 HydrophobicContact CD1-CB 4.25Å; L276-P293 HydrophobicContact CD1-CG 3.86Å; L276-P293 HydrophobicContact CD2-CB 3.62Å; L276-P293 HydrophobicContact CD2-CG 4.1Å; V286-P293 HydrophobicContact CG1-CB 3.78Å; D290-P293 HydrophobicContact CB-CB 4.41Å; D290-P293 HydrophobicContact CB-CG 4.15Å; D290-P293 WeakPolarHBondContact O-CD 3.5Å; P293-F295 HydrophobicContact CB-CE1 4.5Å; P293-F295 HydrophobicContact CB-CE2 4.24Å; P293-F295 HydrophobicContact CB-CZ 4.11Å; P293-F295 PolarHBondContact O-N 3.32Å; P293-F295 VanDerWaalsContact O-N 3.16Å
294	N	96.2	Very high	94.6	Very high	77 Å²	77	72.2 Å²	72.2	41%	0.412	35%	0.35	S	S	.	.			trans	-85.3	88.1	179.4	-173.7	-9.7	0	0	0	110.7	S292 T296 Q297 L298	S292-N294 PolarHBondContact O-N 2.91Å; N294-T296 PolarHBondContact O-N 3.43Å; N294-T296 WeakPolarHBondContact OD1-CB 3.5Å; N294-T296 PolarHBondContact OD1-N 3.24Å; N294-T296 VanDerWaalsContact OD1-N 3.13Å; N294-Q297 HydrophobicContact CB-CB 4.06Å; N294-Q297 WeakPolarHBondContact O-CB 3.36Å; N294-Q297 PolarHBondContact O-N 3.38Å; N294-Q297 VanDerWaalsContact O-N 3.11Å; N294-Q297 PolarHBondContact OD1-N 3.01Å; N294-L298 PolarHBondContact O-N 3.05Å
295	F	96.7	Very high	94.7	Very high	25 Å²	25	72.6 Å²	72.6	11%	0.11	35%	0.352	C	S	.	.	H	α-helix	trans	-63.6	-20.9	179.6	-67.6	-66.2	0	0	0	114.6	L189 R191 L272 L276 P293 L298 I299	L189-F295 HydrophobicContact CB-CB 4.36Å; L189-F295 HydrophobicContact CB-CD1 4.42Å; L189-F295 HydrophobicContact CD2-CD1 3.9Å; L189-F295 HydrophobicContact CD2-CE1 4.35Å; R191-F295 HydrophobicContact CG-CB 4.21Å; L272-F295 HydrophobicContact CB-CE1 4.48Å; L272-F295 HydrophobicContact CB-CZ 4.08Å; L272-F295 HydrophobicContact CD1-CZ 4.5Å; L272-F295 HydrophobicContact CD2-CD1 4.29Å; L272-F295 HydrophobicContact CD2-CE1 3.8Å; L272-F295 HydrophobicContact CD2-CE2 4.1Å; L272-F295 HydrophobicContact CD2-CZ 3.7Å; L272-F295 HydrophobicContact CG-CZ 4.3Å; L276-F295 HydrophobicContact CD1-CE1 4.45Å; L276-F295 HydrophobicContact CD1-CZ 4.23Å; L276-F295 HydrophobicContact CD2-CE1 3.95Å; L276-F295 HydrophobicContact CD2-CZ 4.38Å; L276-F295 HydrophobicContact CG-CE1 4.12Å; L276-F295 HydrophobicContact CG-CZ 4.4Å; P293-F295 HydrophobicContact CB-CE1 4.5Å; P293-F295 HydrophobicContact CB-CE2 4.24Å; P293-F295 HydrophobicContact CB-CZ 4.11Å; P293-F295 PolarHBondContact O-N 3.32Å; P293-F295 VanDerWaalsContact O-N 3.16Å; F295-L298 HydrophobicContact CD1-CD2 4.07Å; F295-L298 HydrophobicContact CE1-CD2 4.4Å; F295-L298 PolarHBondContact O-N 3.13Å; F295-I299 PolarHBondContact O-N 3.41Å
296	T	96.4	Very high	94.9	Very high	56 Å²	56	69.1 Å²	69.1	34%	0.344	34%	0.337	S	S	.	.	H	α-helix	trans	-70.8	-43	173	-59.1	0	0	0	0	110.9	R191 N294 L298 I299 E300	R191-T296 PolarHBondContact NE-OG1 2.94Å; N294-T296 PolarHBondContact O-N 3.43Å; N294-T296 WeakPolarHBondContact OD1-CB 3.5Å; N294-T296 PolarHBondContact OD1-N 3.24Å; N294-T296 VanDerWaalsContact OD1-N 3.13Å; T296-L298 VanDerWaalsContact C-N 3.31Å; T296-L298 PolarHBondContact O-N 3.23Å; T296-I299 VanDerWaalsContact O-CG2 3.23Å; T296-I299 WeakPolarHBondContact O-CG2 3.4Å; T296-E300 WeakPolarHBondContact O-CG 3.5Å; T296-E300 PolarHBondContact O-N 3.01Å
297	Q	96.6	Very high	95.1	Very high	76 Å²	76	70.8 Å²	70.8	36%	0.355	35%	0.347	S	S	.	.	H	α-helix	trans	-63.5	-39.3	172.1	178.6	-172.8	-20.6	0	0	111.4	C284 N285 V286 N294 E300 C301	C284-Q297 PolarHBondContact O-NE2 3.34Å; N285-Q297 PolarHBondContact O-NE2 2.98Å; V286-Q297 HydrophobicContact CG2-CB 4.07Å; V286-Q297 HydrophobicContact CG2-CG 3.92Å; N294-Q297 HydrophobicContact CB-CB 4.06Å; N294-Q297 WeakPolarHBondContact O-CB 3.36Å; N294-Q297 PolarHBondContact O-N 3.38Å; N294-Q297 VanDerWaalsContact O-N 3.11Å; N294-Q297 PolarHBondContact OD1-N 3.01Å; Q297-E300 PolarHBondContact O-N 3.48Å; Q297-C301 PolarHBondContact O-N 3.11Å; Q297-C301 VanDerWaalsContact O-N 3.09Å
298	L	97.6	Very high	95.3	Very high	0 Å²	0	72.8 Å²	72.8	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-60.8	-50.2	178.8	179.7	51	0	0	0	111.5	L189 A275 L276 S279 C284 V286 N294 F295 T296 E300 C301 L302	L189-L298 HydrophobicContact CD1-CG 4.39Å; L189-L298 HydrophobicContact CD2-CD2 3.9Å; A275-L298 HydrophobicContact CB-CD2 4.3Å; L276-L298 HydrophobicContact CD2-CD2 4.48Å; S279-L298 VanDerWaalsContact CB-CD1 3.43Å; S279-L298 WeakPolarHBondContact OG-CD1 3.3Å; C284-L298 HydrophobicContact CB-CD1 3.7Å; V286-L298 HydrophobicContact CB-CB 4.4Å; V286-L298 HydrophobicContact CG2-CB 4.24Å; N294-L298 PolarHBondContact O-N 3.05Å; F295-L298 HydrophobicContact CD1-CD2 4.07Å; F295-L298 HydrophobicContact CE1-CD2 4.4Å; F295-L298 PolarHBondContact O-N 3.13Å; T296-L298 VanDerWaalsContact C-N 3.31Å; T296-L298 PolarHBondContact O-N 3.23Å; L298-E300 VanDerWaalsContact C-N 3.33Å; L298-E300 PolarHBondContact O-N 2.93Å; L298-C301 WeakPolarHBondContact O-CB 3.34Å; L298-C301 PolarHBondContact O-N 3.1Å; L298-C301 VanDerWaalsContact O-N 3.13Å; L298-L302 HydrophobicContact CD1-CD1 3.84Å; L298-L302 HydrophobicContact CD1-CD2 4.27Å; L298-L302 HydrophobicContact CD1-CG 3.8Å; L298-L302 HydrophobicContact CG-CD1 3.88Å; L298-L302 HydrophobicContact CG-CG 4.28Å; L298-L302 WeakPolarHBondContact O-CG 3.17Å; L298-L302 PolarHBondContact O-N 2.74Å
299	I	97.8	Very high	95.7	Very high	3 Å²	3	71.9 Å²	71.9	2%	0.015	35%	0.35	C	S	.	.	H	α-helix	trans	-64.2	-38.4	-179.9	-167.8	54.8	0	0	0	112.2	F72 L187 L189 E193 A194 F295 T296 C301 L302 L303	F72-I299 HydrophobicContact CB-CD1 4.4Å; F72-I299 HydrophobicContact CD2-CD1 3.51Å; F72-I299 HydrophobicContact CE2-CD1 4.15Å; F72-I299 HydrophobicContact CG-CD1 4.26Å; L187-I299 HydrophobicContact CD2-CD1 4.18Å; L189-I299 HydrophobicContact CD1-CB 3.71Å; L189-I299 HydrophobicContact CD1-CD1 3.97Å; L189-I299 HydrophobicContact CD1-CG1 4.26Å; E193-I299 HydrophobicContact CB-CG1 3.78Å; E193-I299 HydrophobicContact CB-CG2 4.28Å; A194-I299 HydrophobicContact CB-CD1 3.84Å; A194-I299 HydrophobicContact CB-CG1 4.35Å; F295-I299 PolarHBondContact O-N 3.41Å; T296-I299 VanDerWaalsContact O-CG2 3.23Å; T296-I299 WeakPolarHBondContact O-CG2 3.4Å; I299-C301 PolarHBondContact O-N 3.42Å; I299-L302 PolarHBondContact O-N 2.95Å; I299-L303 HydrophobicContact CD1-CG 4.36Å; I299-L303 HydrophobicContact CG1-CD1 4.39Å; I299-L303 HydrophobicContact CG1-CG 4.4Å; I299-L303 WeakPolarHBondContact O-CB 3.31Å; I299-L303 VanDerWaalsContact O-CG 3.24Å; I299-L303 WeakPolarHBondContact O-CG 3.39Å; I299-L303 PolarHBondContact O-N 3.12Å
300	E	97.2	Very high	96	Very high	111 Å²	111	61.1 Å²	61.1	52%	0.519	31%	0.31	S	S	.	.	H	α-helix	trans	-61.3	-31.4	175.1	-75.4	177.6	-177	0	0	113.2	T296 Q297 L298 K304	T296-E300 WeakPolarHBondContact O-CG 3.5Å; T296-E300 PolarHBondContact O-N 3.01Å; Q297-E300 PolarHBondContact O-N 3.48Å; L298-E300 VanDerWaalsContact C-N 3.33Å; L298-E300 PolarHBondContact O-N 2.93Å; E300-K304 WeakPolarHBondContact O-CD 3.38Å; E300-K304 WeakPolarHBondContact O-CE 3.46Å
301	C	97.6	Very high	96.3	Very high	29 Å²	29	58.9 Å²	58.9	20%	0.196	30%	0.298	C	S	.	.	H	α-helix	trans	-75.2	-52.8	172.6	176.2	0	0	0	0	111.6	C284 Q297 L298 I299 L303 K304 V305	C284-C301 WeakPolarHBondContact CA-SG 3.29Å; C284-C301 HydrophobicContact CB-CB 3.51Å; C284-C301 WeakPolarHBondContact CB-SG 3.4Å; C284-C301 WeakPolarHBondContact SG-CB 3.27Å; C284-C301 CovalentContact SG-SG 2.03Å; C284-C301 PolarHBondContact SG-SG 3.28Å; Q297-C301 PolarHBondContact O-N 3.11Å; Q297-C301 VanDerWaalsContact O-N 3.09Å; L298-C301 WeakPolarHBondContact O-CB 3.34Å; L298-C301 PolarHBondContact O-N 3.1Å; L298-C301 VanDerWaalsContact O-N 3.13Å; I299-C301 PolarHBondContact O-N 3.42Å; C301-L303 PolarHBondContact O-N 3.01Å; C301-K304 WeakPolarHBondContact O-CA 3.45Å; C301-K304 WeakPolarHBondContact O-CB 3.34Å; C301-K304 PolarHBondContact O-N 2.86Å; C301-V305 PolarHBondContact O-N 3.02Å
302	L	97.4	Very high	96.5	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-59.7	-31.1	-176.5	-67.4	176.7	0	0	0	113	R71 F72 L187 L278 C282 L298 I299 K304 V305 L310	R71-L302 PolarHBondContact NH1-O 2.75Å; F72-L302 HydrophobicContact CE2-CB 4.08Å; L187-L302 HydrophobicContact CD2-CD1 3.89Å; L278-L302 HydrophobicContact CD2-CD2 4.23Å; L278-L302 HydrophobicContact CG-CD2 4.42Å; C282-L302 HydrophobicContact CB-CD2 4.35Å; L298-L302 HydrophobicContact CD1-CD1 3.84Å; L298-L302 HydrophobicContact CD1-CD2 4.27Å; L298-L302 HydrophobicContact CD1-CG 3.8Å; L298-L302 HydrophobicContact CG-CD1 3.88Å; L298-L302 HydrophobicContact CG-CG 4.28Å; L298-L302 WeakPolarHBondContact O-CG 3.17Å; L298-L302 PolarHBondContact O-N 2.74Å; I299-L302 PolarHBondContact O-N 2.95Å; L302-K304 PolarHBondContact O-N 2.91Å; L302-V305 HydrophobicContact CD2-CG2 4.43Å; L302-V305 PolarHBondContact O-N 3.22Å; L302-L310 HydrophobicContact CD2-CD2 3.99Å
303	L	97.3	Very high	96.6	Very high	41 Å²	41	52.2 Å²	52.2	22%	0.215	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-21.5	172.5	-73.8	173.4	0	0	0	113.7	R71 F72 I299 C301	R71-L303 HydrophobicContact CB-CD2 3.82Å; F72-L303 HydrophobicContact CD2-CD2 3.86Å; F72-L303 HydrophobicContact CE2-CD2 4.21Å; I299-L303 HydrophobicContact CD1-CG 4.36Å; I299-L303 HydrophobicContact CG1-CD1 4.39Å; I299-L303 HydrophobicContact CG1-CG 4.4Å; I299-L303 WeakPolarHBondContact O-CB 3.31Å; I299-L303 VanDerWaalsContact O-CG 3.24Å; I299-L303 WeakPolarHBondContact O-CG 3.39Å; I299-L303 PolarHBondContact O-N 3.12Å; C301-L303 PolarHBondContact O-N 3.01Å
304	K	96.7	Very high	96.6	Very high	168 Å²	168	50.7 Å²	50.7	73%	0.73	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	-13.9	-179.9	-60.5	168.7	-173	162.1	0	113.2	E300 C301 L302	E300-K304 WeakPolarHBondContact O-CD 3.38Å; E300-K304 WeakPolarHBondContact O-CE 3.46Å; C301-K304 WeakPolarHBondContact O-CA 3.45Å; C301-K304 WeakPolarHBondContact O-CB 3.34Å; C301-K304 PolarHBondContact O-N 2.86Å; L302-K304 PolarHBondContact O-N 2.91Å
305	V	97.3	Very high	96.5	Very high	11 Å²	11	50.5 Å²	50.5	7%	0.067	25%	0.245	C	C	.	.	S	Bend	trans	-71.4	133.4	-178.9	-175.4	0	0	0	0	109.5	R71 C282 C301 L302 E309 L310	R71-V305 PolarHBondContact NH1-O 2.69Å; C282-V305 HydrophobicContact CB-CG1 4.45Å; C282-V305 HydrophobicContact CB-CG2 4.11Å; C301-V305 PolarHBondContact O-N 3.02Å; L302-V305 HydrophobicContact CD2-CG2 4.43Å; L302-V305 PolarHBondContact O-N 3.22Å; V305-E309 HydrophobicContact CG1-CB 3.84Å; V305-E309 HydrophobicContact CG1-CG 3.88Å; V305-L310 HydrophobicContact CB-CD1 4.33Å; V305-L310 HydrophobicContact CB-CD2 3.85Å; V305-L310 HydrophobicContact CB-CG 3.92Å; V305-L310 HydrophobicContact CG1-CD2 3.77Å; V305-L310 HydrophobicContact CG1-CG 3.69Å; V305-L310 HydrophobicContact CG2-CD2 4.46Å
306	P	96.9	Very high	96.1	Very high	62 Å²	62	50.9 Å²	50.9	40%	0.403	25%	0.249	S	C	.	.			trans	-58.1	146.3	173.1	-26.3	36.5	0	0	0	112.8	D308 E309 L310	P306-D308 VanDerWaalsContact C-N 3.28Å; P306-D308 WeakPolarHBondContact CB-OD1 3.46Å; P306-D308 PolarHBondContact O-N 3.26Å; P306-E309 HydrophobicContact CB-CB 4.34Å; P306-E309 PolarHBondContact O-N 3.01Å; P306-E309 VanDerWaalsContact O-N 3.11Å; P306-L310 PolarHBondContact O-N 2.65Å
307	V	97.1	Very high	95.5	Very high	37 Å²	37	49.1 Å²	49.1	22%	0.224	24%	0.238	C	C	.	.	H	α-helix	trans	-55.8	-43.3	-178.6	167.7	0	0	0	0	112.1	P95 E119 F184 E309 L310 L311	P95-V307 HydrophobicContact CB-CG1 3.57Å; P95-V307 HydrophobicContact CG-CG1 4.11Å; E119-V307 HydrophobicContact CG-CG2 3.91Å; E119-V307 WeakPolarHBondContact OE2-CG2 3.38Å; F184-V307 HydrophobicContact CE1-CG2 4.14Å; F184-V307 HydrophobicContact CE2-CG1 4.44Å; F184-V307 HydrophobicContact CZ-CB 4.27Å; F184-V307 HydrophobicContact CZ-CG1 3.88Å; F184-V307 HydrophobicContact CZ-CG2 4.13Å; V307-E309 VanDerWaalsContact C-N 3.32Å; V307-E309 PolarHBondContact O-N 3.03Å; V307-L310 PolarHBondContact O-N 3.09Å; V307-L311 HydrophobicContact CG1-CD1 3.95Å; V307-L311 HydrophobicContact CG1-CG 4.48Å; V307-L311 WeakPolarHBondContact O-CG 3.35Å; V307-L311 PolarHBondContact O-N 3.21Å
308	D	96.1	Very high	94.9	Very high	82 Å²	82	54.8 Å²	54.8	44%	0.439	26%	0.258	S	S	.	.	H	α-helix	trans	-67.2	-33.3	-179.4	65.9	-58.8	0	0	0	112.2	P306 R312	P306-D308 VanDerWaalsContact C-N 3.28Å; P306-D308 WeakPolarHBondContact CB-OD1 3.46Å; P306-D308 PolarHBondContact O-N 3.26Å; D308-R312 WeakPolarHBondContact O-CB 3.28Å; D308-R312 VanDerWaalsContact O-CG 3.28Å; D308-R312 WeakPolarHBondContact O-CG 3.5Å; D308-R312 VanDerWaalsContact O-CZ 3.29Å; D308-R312 PolarHBondContact O-N 3.39Å; D308-R312 VanDerWaalsContact O-N 3.13Å; D308-R312 PolarHBondContact O-NH1 2.73Å; D308-R312 IonicContact OD2-CZ 2.9Å; D308-R312 VanDerWaalsContact OD2-CZ 3.22Å; D308-R312 IonicContact OD2-NH1 3.39Å; D308-R312 PolarHBondContact OD2-NH1 3.37Å; D308-R312 IonicContact OD2-NH2 2.73Å; D308-R312 PolarHBondContact OD2-NH2 2.98Å
309	E	96.4	Very high	94.6	Very high	59 Å²	59	58.2 Å²	58.2	28%	0.276	27%	0.274	S	S	.	.	H	α-helix	trans	-72.8	-36.2	174.9	-174.1	168.7	-167.8	0	0	112	V305 P306 V307 N313	V305-E309 HydrophobicContact CG1-CB 3.84Å; V305-E309 HydrophobicContact CG1-CG 3.88Å; P306-E309 HydrophobicContact CB-CB 4.34Å; P306-E309 PolarHBondContact O-N 3.01Å; P306-E309 VanDerWaalsContact O-N 3.11Å; V307-E309 VanDerWaalsContact C-N 3.32Å; V307-E309 PolarHBondContact O-N 3.03Å; E309-N313 PolarHBondContact O-ND2 3.21Å
310	L	97.1	Very high	94.5	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-63.3	-51.5	172.8	-70.6	168.1	0	0	0	111.5	F72 L183 F184 L302 V305 P306 V307 R312 N313 E314	F72-L310 HydrophobicContact CZ-CD1 4.27Å; L183-L310 HydrophobicContact CD1-CB 3.94Å; L183-L310 HydrophobicContact CD1-CD1 4.02Å; L183-L310 HydrophobicContact CD1-CD2 3.77Å; L183-L310 HydrophobicContact CD1-CG 4.1Å; L183-L310 HydrophobicContact CD2-CB 4.03Å; F184-L310 HydrophobicContact CE1-CD1 3.94Å; F184-L310 HydrophobicContact CZ-CB 4.26Å; F184-L310 HydrophobicContact CZ-CD1 3.97Å; L302-L310 HydrophobicContact CD2-CD2 3.99Å; V305-L310 HydrophobicContact CB-CD1 4.33Å; V305-L310 HydrophobicContact CB-CD2 3.85Å; V305-L310 HydrophobicContact CB-CG 3.92Å; V305-L310 HydrophobicContact CG1-CD2 3.77Å; V305-L310 HydrophobicContact CG1-CG 3.69Å; V305-L310 HydrophobicContact CG2-CD2 4.46Å; P306-L310 PolarHBondContact O-N 2.65Å; V307-L310 PolarHBondContact O-N 3.09Å; L310-R312 PolarHBondContact O-N 3.27Å; L310-N313 CarbonylContact O-C 3.59Å; L310-N313 PolarHBondContact O-N 3.49Å; L310-N313 VanDerWaalsContact O-N 3.11Å; L310-E314 PolarHBondContact O-N 2.79Å
311	L	96.4	Very high	94.4	Very high	18 Å²	18	53.5 Å²	53.5	9%	0.094	25%	0.251	C	S	.	.	H	α-helix	trans	-62.1	-40.1	-178.5	-70.9	173	0	0	0	112.4	P95 F184 V307 N313 E314	P95-L311 HydrophobicContact CB-CD1 4.3Å; F184-L311 HydrophobicContact CE2-CD2 3.86Å; F184-L311 HydrophobicContact CE2-CG 4.12Å; V307-L311 HydrophobicContact CG1-CD1 3.95Å; V307-L311 HydrophobicContact CG1-CG 4.48Å; V307-L311 WeakPolarHBondContact O-CG 3.35Å; V307-L311 PolarHBondContact O-N 3.21Å; L311-N313 PolarHBondContact O-N 2.98Å; L311-N313 VanDerWaalsContact O-N 3.16Å; L311-E314 WeakPolarHBondContact O-CG 3.37Å; L311-E314 PolarHBondContact O-N 2.93Å
312	R	95.2	Very high	94.2	Very high	158 Å²	158	53.6 Å²	53.6	60%	0.596	25%	0.25	S	C	*	.	H	α-helix	trans	-60.7	-24.8	176.4	-80.8	-171	-60.1	-90.8	1.2	114	D308 L310	D308-R312 WeakPolarHBondContact O-CB 3.28Å; D308-R312 VanDerWaalsContact O-CG 3.28Å; D308-R312 WeakPolarHBondContact O-CG 3.5Å; D308-R312 VanDerWaalsContact O-CZ 3.29Å; D308-R312 PolarHBondContact O-N 3.39Å; D308-R312 VanDerWaalsContact O-N 3.13Å; D308-R312 PolarHBondContact O-NH1 2.73Å; D308-R312 IonicContact OD2-CZ 2.9Å; D308-R312 VanDerWaalsContact OD2-CZ 3.22Å; D308-R312 IonicContact OD2-NH1 3.39Å; D308-R312 PolarHBondContact OD2-NH1 3.37Å; D308-R312 IonicContact OD2-NH2 2.73Å; D308-R312 PolarHBondContact OD2-NH2 2.98Å; L310-R312 PolarHBondContact O-N 3.27Å
313	N	95.2	Very high	94.2	Very high	52 Å²	52	54.1 Å²	54.1	28%	0.278	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.6	7	-174.3	-64.9	-71.8	0	0	0	113.1	L278 A281 E309 L310 L311 W315	L278-N313 HydrophobicContact CD1-CB 3.92Å; L278-N313 WeakPolarHBondContact CD1-O 3.21Å; A281-N313 HydrophobicContact CB-CB 3.79Å; E309-N313 PolarHBondContact O-ND2 3.21Å; L310-N313 CarbonylContact O-C 3.59Å; L310-N313 PolarHBondContact O-N 3.49Å; L310-N313 VanDerWaalsContact O-N 3.11Å; L311-N313 PolarHBondContact O-N 2.98Å; L311-N313 VanDerWaalsContact O-N 3.16Å; N313-W315 VanDerWaalsContact C-N 3.34Å; N313-W315 PolarHBondContact O-N 3.1Å
314	E	94.2	Very high	94	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	24%	0.242	C	C	.	.			trans	-70.7	-29.8	-174	78.6	-180	143.8	0	0	113.3	S97 S182 L183 L310 L311 V316 P324 W325	S97-E314 WeakPolarHBondContact CB-OE1 3.38Å; S97-E314 PolarHBondContact OG-OE1 3.29Å; S182-E314 VanDerWaalsContact CB-OE2 3.29Å; S182-E314 WeakPolarHBondContact CB-OE2 3.29Å; S182-E314 PolarHBondContact OG-OE2 2.99Å; L183-E314 HydrophobicContact CD2-CB 3.81Å; L310-E314 PolarHBondContact O-N 2.79Å; L311-E314 WeakPolarHBondContact O-CG 3.37Å; L311-E314 PolarHBondContact O-N 2.93Å; E314-V316 PolarHBondContact O-N 2.97Å; E314-V316 VanDerWaalsContact O-N 3.1Å; E314-P324 VanDerWaalsContact O-CB 3.31Å; E314-P324 WeakPolarHBondContact O-CB 3.42Å; E314-W325 PolarHBondContact O-NE1 3.14Å
315	W	92.5	Very high	94.1	Very high	73 Å²	73	44.2 Å²	44.2	28%	0.277	21%	0.207	S	C	.	.			trans	-83.3	86.4	-176.3	-71.5	93.6	0	0	0	110.6	W152 N313 Y318 F323 P324	W152-W315 HydrophobicContact CB-CZ2 4.5Å; W152-W315 HydrophobicContact CD2-CH2 4.33Å; W152-W315 AromaticContact CD2-CZ2 3.66Å; W152-W315 HydrophobicContact CD2-CZ2 3.66Å; W152-W315 AromaticContact CE2-CZ2 3.92Å; W152-W315 AromaticContact CE3-CZ2 3.99Å; W152-W315 HydrophobicContact CE3-CZ2 3.99Å; W152-W315 HydrophobicContact CG-CH2 4.24Å; W152-W315 AromaticContact CG-CZ2 3.87Å; W152-W315 HydrophobicContact CG-CZ2 3.87Å; W152-W315 HydrophobicContact CZ2-CZ2 4.48Å; N313-W315 VanDerWaalsContact C-N 3.34Å; N313-W315 PolarHBondContact O-N 3.1Å; W315-Y318 PolarHBondContact O-OH 3.02Å; W315-F323 HydrophobicContact CH2-CD1 4.15Å; W315-P324 HydrophobicContact CD2-CG 4.18Å; W315-P324 HydrophobicContact CE3-CG 4.07Å; W315-P324 HydrophobicContact CZ3-CG 4.35Å
316	V	88.4	Confident	94.1	Very high	33 Å²	33	43.9 Å²	43.9	20%	0.2	21%	0.205	C	C	.	.			trans	-98.5	-1.6	177.3	-63.1	0	0	0	0	113.4	R274 L277 E314	R274-V316 HydrophobicContact CB-CG2 3.69Å; R274-V316 HydrophobicContact CG-CG2 3.69Å; L277-V316 HydrophobicContact CB-CB 4.11Å; L277-V316 HydrophobicContact CB-CG1 3.88Å; L277-V316 HydrophobicContact CD1-CB 4.13Å; E314-V316 PolarHBondContact O-N 2.97Å; E314-V316 VanDerWaalsContact O-N 3.1Å
317	T	85.4	Confident	94.2	Very high	19 Å²	19	40.9 Å²	40.9	12%	0.117	19%	0.186	C	C	.	.			trans	-127.1	155.8	175.2	-176.9	0	0	0	0	110.7	D322 P324	T317-D322 WeakPolarHBondContact CB-OD2 3.38Å; T317-D322 HydrophobicContact CG2-CB 4.29Å; T317-D322 WeakPolarHBondContact CG2-O 3.39Å; T317-D322 WeakPolarHBondContact CG2-OD2 3.41Å; T317-D322 PolarHBondContact OG1-OD2 2.93Å; T317-P324 HydrophobicContact CG2-CB 4.25Å
318	Y	84.1	Confident	94.3	Very high	195 Å²	195	39.2 Å²	39.2	77%	0.765	18%	0.176	S	C	*	.			trans	-138.6	12.7	-176.8	-57.2	-77.7	0	0	0	113	W315	W315-Y318 PolarHBondContact O-OH 3.02Å
319	E	91	Very high	94.4	Very high	72 Å²	72	35.9 Å²	35.9	34%	0.336	16%	0.158	S	C	.	.	S	Bend	trans	-70.9	151	172.1	-70.3	-162.4	-169.8	0	0	110.9	L321 D322 Y368 H402	E319-L321 PolarHBondContact O-N 3.08Å; E319-D322 HydrophobicContact CB-CB 3.69Å; E319-D322 WeakPolarHBondContact O-CB 3.36Å; E319-D322 PolarHBondContact O-N 3.09Å; E319-D322 VanDerWaalsContact O-N 3.07Å; E319-Y368 WeakPolarHBondContact O-CE1 3.36Å; E319-H402 WeakPolarHBondContact OE1-CB 3.31Å; E319-H402 PolarHBondContact OE2-N 3.12Å
320	F	95.2	Very high	94.4	Very high	12 Å²	12	34.3 Å²	34.3	5%	0.053	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	123.2	-178.5	177.2	-109.1	0	0	0	111.4	D322 F364 I365 Y368 L399 L438 H442	F320-D322 PolarHBondContact O-N 2.85Å; F320-F364 HydrophobicContact CE2-CB 3.66Å; F320-F364 HydrophobicContact CZ-CB 3.85Å; F320-I365 HydrophobicContact CE2-CG1 4.15Å; F320-I365 HydrophobicContact CZ-CG1 3.95Å; F320-Y368 HydrophobicContact CB-CD1 4.3Å; F320-Y368 HydrophobicContact CB-CE1 4.46Å; F320-Y368 HydrophobicContact CD2-CD1 4.09Å; F320-Y368 AromaticContact CD2-CD2 3.58Å; F320-Y368 HydrophobicContact CD2-CD2 3.58Å; F320-Y368 HydrophobicContact CD2-CE1 4.44Å; F320-Y368 AromaticContact CD2-CE2 3.97Å; F320-Y368 HydrophobicContact CD2-CE2 3.97Å; F320-Y368 AromaticContact CD2-CG 3.63Å; F320-Y368 HydrophobicContact CD2-CG 3.63Å; F320-Y368 AromaticContact CE2-CD2 3.95Å; F320-Y368 HydrophobicContact CE2-CD2 3.95Å; F320-Y368 HydrophobicContact CE2-CE2 4.38Å; F320-Y368 HydrophobicContact CE2-CG 4.36Å; F320-L399 HydrophobicContact CB-CB 4.28Å; F320-L399 HydrophobicContact CB-CD2 3.98Å; F320-L399 VanDerWaalsContact CB-O 3.28Å; F320-L399 WeakPolarHBondContact CB-O 3.38Å; F320-L399 HydrophobicContact CD1-CB 4.37Å; F320-L399 HydrophobicContact CD2-CD2 3.42Å; F320-L399 VanDerWaalsContact CD2-CD2 3.42Å; F320-L399 HydrophobicContact CE2-CD2 3.98Å; F320-L399 HydrophobicContact CG-CB 4.19Å; F320-L399 HydrophobicContact CG-CD2 3.72Å; F320-L438 HydrophobicContact CD1-CD1 4.1Å; F320-L438 HydrophobicContact CD1-CG 4.26Å; F320-L438 HydrophobicContact CE1-CB 3.81Å; F320-L438 HydrophobicContact CE1-CD1 4.08Å; F320-L438 HydrophobicContact CE1-CG 3.82Å; F320-L438 HydrophobicContact CZ-CB 4.36Å; F320-L438 HydrophobicContact CZ-CG 4.47Å; F320-H442 AromaticContact CD1-CD2 4Å; F320-H442 AromaticContact CD1-NE2 3.46Å; F320-H442 WeakPolarHBondContact CD1-NE2 3.48Å; F320-H442 AromaticContact CE1-CD2 3.73Å; F320-H442 AromaticContact CE1-NE2 3.7Å
321	L	95.2	Very high	94.4	Very high	3 Å²	3	40.6 Å²	40.6	2%	0.016	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	28	-175.4	-66.7	174.9	0	0	0	113.5	W263 E319 F323 F364 Y368 H442 F443	W263-L321 WeakPolarHBondContact CB-O 3.39Å; E319-L321 PolarHBondContact O-N 3.08Å; L321-F323 HydrophobicContact CD2-CE1 4.24Å; L321-F323 HydrophobicContact CD2-CE2 4.31Å; L321-F323 HydrophobicContact CD2-CZ 3.59Å; L321-F364 HydrophobicContact CD1-CD2 4.36Å; L321-F364 HydrophobicContact CD1-CG 4.47Å; L321-F364 HydrophobicContact CD2-CB 4.04Å; L321-F364 HydrophobicContact CD2-CD1 3.59Å; L321-F364 HydrophobicContact CD2-CD2 4.18Å; L321-F364 HydrophobicContact CD2-CE1 4Å; L321-F364 HydrophobicContact CD2-CG 3.67Å; L321-F364 HydrophobicContact CD2-CZ 4.46Å; L321-F364 HydrophobicContact CG-CB 4.41Å; L321-F364 HydrophobicContact CG-CG 4.42Å; L321-Y368 PolarHBondContact N-OH 2.95Å; L321-H442 HydrophobicContact CD1-CB 3.72Å; L321-F443 HydrophobicContact CD1-CE2 3.67Å; L321-F443 HydrophobicContact CD1-CZ 3.83Å
322	D	93.7	Very high	94.4	Very high	31 Å²	31	45 Å²	45	17%	0.166	20%	0.201	C	C	.	.			trans	-94.6	94.4	168.9	-177	16.7	0	0	0	109.3	R274 T317 E319 F320	R274-D322 IonicContact CZ-OD1 2.69Å; R274-D322 IonicContact CZ-OD2 2.78Å; R274-D322 IonicContact NH1-OD1 3.6Å; R274-D322 PolarHBondContact NH1-OD1 2.94Å; R274-D322 VanDerWaalsContact NH2-CG 3.26Å; R274-D322 IonicContact NH2-OD1 2.64Å; R274-D322 PolarHBondContact NH2-OD1 2.68Å; R274-D322 IonicContact NH2-OD2 3.45Å; R274-D322 PolarHBondContact NH2-OD2 2.8Å; T317-D322 WeakPolarHBondContact CB-OD2 3.38Å; T317-D322 HydrophobicContact CG2-CB 4.29Å; T317-D322 WeakPolarHBondContact CG2-O 3.39Å; T317-D322 WeakPolarHBondContact CG2-OD2 3.41Å; T317-D322 PolarHBondContact OG1-OD2 2.93Å; E319-D322 HydrophobicContact CB-CB 3.69Å; E319-D322 WeakPolarHBondContact O-CB 3.36Å; E319-D322 PolarHBondContact O-N 3.09Å; E319-D322 VanDerWaalsContact O-N 3.07Å; F320-D322 PolarHBondContact O-N 2.85Å
323	F	95.7	Very high	94.6	Very high	11 Å²	11	37.5 Å²	37.5	5%	0.048	17%	0.173	C	C	.	.			trans	-80.3	134.3	179.6	-52.3	-64.6	0	0	0	109.8	G150 W152 W263 R274 W315 L321 W325 V326	G150-F323 WeakPolarHBondContact O-CB 3.23Å; G150-F323 WeakPolarHBondContact O-CD2 3.17Å; G150-F323 WeakPolarHBondContact O-CG 3.2Å; W152-F323 AromaticContact CD1-CD1 3.55Å; W152-F323 AromaticContact CD1-CE1 3.91Å; W152-F323 AromaticContact NE1-CD1 3.9Å; W152-F323 AromaticContact NE1-CE1 3.83Å; W263-F323 HydrophobicContact CB-CD2 4.09Å; W263-F323 HydrophobicContact CB-CE2 4.02Å; W263-F323 HydrophobicContact CD2-CE2 4.09Å; W263-F323 HydrophobicContact CE3-CD2 4.28Å; W263-F323 AromaticContact CE3-CE2 3.93Å; W263-F323 HydrophobicContact CE3-CE2 3.93Å; W263-F323 HydrophobicContact CG-CE2 4.14Å; R274-F323 PolarHBondContact NH1-O 2.95Å; W315-F323 HydrophobicContact CH2-CD1 4.15Å; L321-F323 HydrophobicContact CD2-CE1 4.24Å; L321-F323 HydrophobicContact CD2-CE2 4.31Å; L321-F323 HydrophobicContact CD2-CZ 3.59Å; F323-W325 VanDerWaalsContact C-N 3.33Å; F323-W325 PolarHBondContact O-N 2.92Å; F323-V326 HydrophobicContact CB-CG1 3.64Å; F323-V326 HydrophobicContact CD2-CG1 4.46Å
324	P	95.1	Very high	94.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	16%	0.161	C	C	.	.	S	Bend	trans	-64.8	-36.3	-167.8	23.1	-33.7	0	0	0	113.1	R274 E314 W315 T317	R274-P324 VanDerWaalsContact CD-O 3.24Å; R274-P324 WeakPolarHBondContact CD-O 3.39Å; R274-P324 PolarHBondContact NH1-O 3.48Å; E314-P324 VanDerWaalsContact O-CB 3.31Å; E314-P324 WeakPolarHBondContact O-CB 3.42Å; W315-P324 HydrophobicContact CD2-CG 4.18Å; W315-P324 HydrophobicContact CE3-CG 4.07Å; W315-P324 HydrophobicContact CZ3-CG 4.35Å; T317-P324 HydrophobicContact CG2-CB 4.25Å
325	W	97.7	Very high	94.9	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	17%	0.174	C	C	.	.	S	Bend	trans	-128.8	106.9	-174.6	-45.2	105.7	0	0	0	109.6	L183 F186 L187 L271 R274 A275 L278 E314 F323	L183-W325 HydrophobicContact CB-CD2 4.04Å; L183-W325 HydrophobicContact CB-CG 3.93Å; F186-W325 HydrophobicContact CB-CB 3.85Å; L187-W325 HydrophobicContact CD1-CE3 4.4Å; L187-W325 HydrophobicContact CD1-CH2 4.31Å; L187-W325 HydrophobicContact CD1-CZ3 3.95Å; L271-W325 HydrophobicContact CD2-CE3 4.39Å; R274-W325 HydrophobicContact CB-CH2 3.82Å; R274-W325 HydrophobicContact CB-CZ3 3.94Å; A275-W325 HydrophobicContact CB-CH2 4.41Å; A275-W325 HydrophobicContact CB-CZ3 4.47Å; L278-W325 HydrophobicContact CB-CH2 4.35Å; L278-W325 HydrophobicContact CB-CZ2 4.24Å; L278-W325 HydrophobicContact CD2-CH2 4.2Å; L278-W325 HydrophobicContact CD2-CZ2 3.86Å; E314-W325 PolarHBondContact O-NE1 3.14Å; F323-W325 VanDerWaalsContact C-N 3.33Å; F323-W325 PolarHBondContact O-N 2.92Å
326	V	98.4	Very high	95.1	Very high	4 Å²	4	38.4 Å²	38.4	2%	0.024	18%	0.182	C	C	.	.			trans	-135.7	170.3	-176.8	-63.2	0	0	0	0	109.8	F151 E266 F323	F151-V326 HydrophobicContact CB-CG1 4.3Å; F151-V326 HydrophobicContact CD2-CB 4.19Å; F151-V326 HydrophobicContact CD2-CG1 3.96Å; E266-V326 HydrophobicContact CB-CG2 3.46Å; E266-V326 VanDerWaalsContact CB-CG2 3.46Å; F323-V326 HydrophobicContact CB-CG1 3.64Å; F323-V326 HydrophobicContact CD2-CG1 4.46Å
327	P	98.8	Very high	95.5	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.197	C	C	.	.			trans	-53.2	153.1	174.5	-28.8	34.4	0	0	0	115	F151 F186 N197 L200 L238 A264 M265 E266	F151-P327 HydrophobicContact CD1-CG 4.24Å; F151-P327 HydrophobicContact CD2-CG 4.47Å; F151-P327 HydrophobicContact CE1-CG 3.74Å; F151-P327 HydrophobicContact CE2-CG 4.02Å; F151-P327 HydrophobicContact CZ-CG 3.62Å; F186-P327 HydrophobicContact CD1-CG 4.1Å; F186-P327 HydrophobicContact CE1-CG 3.74Å; N197-P327 WeakPolarHBondContact OD1-CA 3.29Å; L200-P327 HydrophobicContact CD1-CB 3.86Å; L200-P327 HydrophobicContact CD1-CG 3.9Å; L200-P327 HydrophobicContact CG-CG 4.4Å; L238-P327 HydrophobicContact CD1-CB 3.92Å; L238-P327 HydrophobicContact CD1-CG 3.81Å; A264-P327 WeakPolarHBondContact O-CD 3.36Å; M265-P327 CarbonylContact C-O 3.59Å; M265-P327 WeakPolarHBondContact CA-O 3.49Å; M265-P327 HydrophobicContact CG-CB 4.18Å; E266-P327 PolarHBondContact N-O 3.17Å
328	V	98.6	Very high	96	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.006	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-133.5	153.7	-179.3	62.8	0	0	0	0	110.3	Y188 N197 E266 Q268 L271 D330	Y188-V328 HydrophobicContact CD2-CG1 3.77Å; Y188-V328 HydrophobicContact CE2-CG1 4.41Å; Y188-V328 HydrophobicContact CG-CG1 4.24Å; N197-V328 PolarHBondContact ND2-O 3.42Å; N197-V328 PolarHBondContact OD1-N 3.34Å; N197-V328 PolarHBondContact OD1-O 2.96Å; E266-V328 WeakPolarHBondContact O-CG2 3.38Å; Q268-V328 HydrophobicContact CB-CG2 4.41Å; Q268-V328 HydrophobicContact CG-CG2 3.55Å; L271-V328 HydrophobicContact CD1-CB 3.62Å; L271-V328 HydrophobicContact CD1-CG1 4.25Å; L271-V328 HydrophobicContact CD1-CG2 3.9Å; V328-D330 HydrophobicContact CG1-CB 4.39Å; V328-D330 PolarHBondContact O-N 3.06Å
329	V	98.4	Very high	96.5	Very high	12 Å²	12	37 Å²	37	7%	0.073	18%	0.175	C	C	.	.			trans	-68.2	101.4	165.1	-178	0	0	0	0	108	M265 Q268 V334 E337	M265-V329 HydrophobicContact CE-CB 4.41Å; M265-V329 HydrophobicContact CE-CG2 3.5Å; M265-V329 VanDerWaalsContact CE-CG2 3.5Å; Q268-V329 PolarHBondContact NE2-O 2.99Å; V329-V334 HydrophobicContact CG2-CG1 4.2Å; V329-E337 HydrophobicContact CG2-CG 4.41Å; V329-E337 VanDerWaalsContact CG2-OE1 3.27Å; V329-E337 WeakPolarHBondContact CG2-OE1 3.29Å
330	D	96.9	Very high	96.8	Very high	27 Å²	27	35.4 Å²	35.4	14%	0.144	17%	0.173	C	C	.	.			trans	-98.3	-3.1	-179.1	66	-10.5	0	0	0	112.9	N197 V328 H332 F333 V334	N197-D330 PolarHBondContact ND2-OD1 3.08Å; N197-D330 PolarHBondContact ND2-OD2 2.98Å; V328-D330 HydrophobicContact CG1-CB 4.39Å; V328-D330 PolarHBondContact O-N 3.06Å; D330-H332 PolarHBondContact O-N 2.86Å; D330-H332 VanDerWaalsContact O-N 3.16Å; D330-H332 PolarHBondContact OD1-N 3.03Å; D330-F333 PolarHBondContact OD1-N 2.88Å; D330-F333 PolarHBondContact OD2-N 3.13Å; D330-V334 PolarHBondContact N-O 2.62Å; D330-V334 PolarHBondContact OD1-N 3.21Å
331	H	96.4	Very high	96.9	Very high	131 Å²	131	34.9 Å²	34.9	61%	0.606	17%	0.171	S	C	*	.	S	Bend	trans	58.3	19.7	-173.4	-50.1	-63.4	0	0	0	113.9	V334 T335	H331-V334 WeakPolarHBondContact CA-O 3.33Å; H331-V334 PolarHBondContact N-O 2.9Å; H331-T335 PolarHBondContact ND1-O 2.51Å; H331-T335 VanDerWaalsContact ND1-O 3.08Å
332	H	96.9	Very high	96.9	Very high	112 Å²	112	34.9 Å²	34.9	52%	0.519	17%	0.171	S	C	.	.	S	Bend	trans	-127.3	-66.1	177.8	-177.4	58.4	0	0	0	111.5	D330	D330-H332 PolarHBondContact O-N 2.86Å; D330-H332 VanDerWaalsContact O-N 3.16Å; D330-H332 PolarHBondContact OD1-N 3.03Å
333	F	98.4	Very high	96.9	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.19	C	C	.	.	S	Bend	trans	-80.5	-47.5	172.8	-171.6	-85.2	0	0	0	110.7	L200 L201 L204 L238 H239 S242 L244 S245 D330	L200-F333 HydrophobicContact CB-CD1 4.02Å; L200-F333 HydrophobicContact CB-CD2 4.37Å; L200-F333 HydrophobicContact CB-CE1 3.8Å; L200-F333 HydrophobicContact CB-CE2 4.14Å; L200-F333 HydrophobicContact CB-CG 4.3Å; L200-F333 HydrophobicContact CB-CZ 3.85Å; L200-F333 HydrophobicContact CD1-CD1 3.71Å; L200-F333 HydrophobicContact CD1-CE1 3.71Å; L200-F333 HydrophobicContact CD2-CE1 4.34Å; L200-F333 HydrophobicContact CG-CD1 4.44Å; L200-F333 HydrophobicContact CG-CE1 4.15Å; L201-F333 HydrophobicContact CD2-CB 4.37Å; L201-F333 HydrophobicContact CD2-CD2 3.78Å; L201-F333 HydrophobicContact CD2-CG 4.47Å; L204-F333 HydrophobicContact CB-CE2 4.14Å; L204-F333 HydrophobicContact CD2-CD2 4.32Å; L204-F333 HydrophobicContact CD2-CE2 4.19Å; L238-F333 HydrophobicContact CB-CE1 4.17Å; H239-F333 AromaticContact CE1-CZ 3.59Å; H239-F333 AromaticContact ND1-CZ 3.47Å; H239-F333 WeakPolarHBondContact ND1-CZ 3.38Å; S242-F333 WeakPolarHBondContact CB-O 3.47Å; S242-F333 PolarHBondContact OG-O 2.72Å; L244-F333 HydrophobicContact CD1-CD2 4.35Å; S245-F333 WeakPolarHBondContact OG-CE2 3.27Å; D330-F333 PolarHBondContact OD1-N 2.88Å; D330-F333 PolarHBondContact OD2-N 3.13Å
334	V	97.9	Very high	96.9	Very high	5 Å²	5	40.8 Å²	40.8	3%	0.03	21%	0.208	C	C	.	.	S	Bend	trans	-107.1	104.7	173.9	-172.9	0	0	0	0	108	L238 M265 V329 D330 H331 E336	L238-V334 HydrophobicContact CD2-CG2 4.02Å; M265-V334 HydrophobicContact CE-CG1 3.96Å; M265-V334 HydrophobicContact SD-CG1 4.36Å; V329-V334 HydrophobicContact CG2-CG1 4.2Å; D330-V334 PolarHBondContact N-O 2.62Å; D330-V334 PolarHBondContact OD1-N 3.21Å; H331-V334 WeakPolarHBondContact CA-O 3.33Å; H331-V334 PolarHBondContact N-O 2.9Å; V334-E336 VanDerWaalsContact CG1-O 3.23Å; V334-E336 WeakPolarHBondContact CG1-O 3.24Å
335	T	97.1	Very high	97	Very high	46 Å²	46	41.3 Å²	41.3	28%	0.282	21%	0.214	S	C	.	.			trans	-73.5	-36.9	-170.8	50.3	0	0	0	0	113	H331	H331-T335 PolarHBondContact ND1-O 2.51Å; H331-T335 VanDerWaalsContact ND1-O 3.08Å
336	E	96.8	Very high	96.9	Very high	92 Å²	92	46.1 Å²	46.1	43%	0.43	24%	0.236	S	C	.	.	S	Bend	trans	-148.4	173.9	-179.9	-62.2	-176.7	-173.7	0	0	109.8	V334 L341	V334-E336 VanDerWaalsContact CG1-O 3.23Å; V334-E336 WeakPolarHBondContact CG1-O 3.24Å; E336-L341 HydrophobicContact CB-CD2 3.96Å; E336-L341 HydrophobicContact CB-CG 4.08Å; E336-L341 HydrophobicContact CG-CD2 4.43Å
337	E	96.7	Very high	96.8	Very high	111 Å²	111	46.5 Å²	46.5	52%	0.519	24%	0.237	S	C	.	.			trans	-52.4	131.6	173	-74.3	-61.8	144.8	0	0	111.8	V329 R339 A340 L341	V329-E337 HydrophobicContact CG2-CG 4.41Å; V329-E337 VanDerWaalsContact CG2-OE1 3.27Å; V329-E337 WeakPolarHBondContact CG2-OE1 3.29Å; E337-R339 PolarHBondContact O-N 2.89Å; E337-R339 VanDerWaalsContact O-N 3.1Å; E337-A340 HydrophobicContact CB-CB 4.31Å; E337-A340 WeakPolarHBondContact O-CA 3.34Å; E337-A340 WeakPolarHBondContact O-CB 3.3Å; E337-A340 PolarHBondContact O-N 2.91Å; E337-L341 PolarHBondContact O-N 2.94Å; E337-L341 VanDerWaalsContact O-N 3.08Å
338	P	97.4	Very high	96.8	Very high	4 Å²	4	48.2 Å²	48.2	3%	0.026	25%	0.245	C	C	.	.	H	α-helix	trans	-53.1	-37	-177.3	-31.9	36.6	0	0	0	114.6	L238 L241 A259 I260 M265 L341 L342	L238-P338 HydrophobicContact CD2-CG 4.27Å; L241-P338 HydrophobicContact CD1-CB 3.72Å; L241-P338 HydrophobicContact CD1-CG 4.33Å; A259-P338 HydrophobicContact CB-CB 3.94Å; A259-P338 HydrophobicContact CB-CG 4.09Å; I260-P338 HydrophobicContact CG2-CB 3.79Å; M265-P338 HydrophobicContact CE-CG 4.43Å; M265-P338 WeakPolarHBondContact SD-CD 3.5Å; M265-P338 HydrophobicContact SD-CG 3.19Å; M265-P338 WeakPolarHBondContact SD-CG 3.25Å; P338-L341 PolarHBondContact O-N 3.47Å; P338-L342 VanDerWaalsContact O-CG 3.3Å; P338-L342 WeakPolarHBondContact O-CG 3.48Å; P338-L342 PolarHBondContact O-N 3.46Å
339	R	94.9	Very high	96.6	Very high	104 Å²	104	56.3 Å²	56.3	39%	0.392	28%	0.275	S	S	.	.	H	α-helix	trans	-62.4	-42.8	175.4	-72.6	178	174.9	-84.5	-11.1	111.7	I260 E337 L342 D343 E449	I260-R339 HydrophobicContact CB-CG 4.17Å; I260-R339 HydrophobicContact CG2-CG 3.59Å; E337-R339 PolarHBondContact O-N 2.89Å; E337-R339 VanDerWaalsContact O-N 3.1Å; R339-L342 PolarHBondContact O-N 3.49Å; R339-D343 WeakPolarHBondContact O-CB 3.36Å; R339-D343 PolarHBondContact O-N 3.38Å; R339-E449 IonicContact CZ-OE1 3.22Å; R339-E449 IonicContact CZ-OE2 3.79Å; R339-E449 VanDerWaalsContact CZ-OE2 3.28Å; R339-E449 IonicContact NH1-OE1 2.72Å; R339-E449 PolarHBondContact NH1-OE1 2.85Å; R339-E449 IonicContact NH1-OE2 3.6Å; R339-E449 PolarHBondContact NH1-OE2 2.75Å; R339-E449 IonicContact NH2-OE1 2.82Å; R339-E449 IonicContact NH2-OE2 2.6Å; R339-E449 PolarHBondContact NH2-OE2 3.03Å
340	A	95.5	Very high	96.6	Very high	37 Å²	37	56.4 Å²	56.4	31%	0.306	28%	0.276	S	S	.	.	H	α-helix	trans	-66.3	-38.7	177.8	0	0	0	0	0	112.2	E337 D343 S344	E337-A340 HydrophobicContact CB-CB 4.31Å; E337-A340 WeakPolarHBondContact O-CA 3.34Å; E337-A340 WeakPolarHBondContact O-CB 3.3Å; E337-A340 PolarHBondContact O-N 2.91Å; A340-D343 PolarHBondContact O-N 3.29Å; A340-S344 WeakPolarHBondContact O-CB 3.02Å; A340-S344 PolarHBondContact O-N 3.26Å; A340-S344 PolarHBondContact O-OG 3.15Å
341	L	97.3	Very high	96.6	Very high	2 Å²	2	57.7 Å²	57.7	1%	0.01	28%	0.281	C	S	.	.	H	α-helix	trans	-64.3	-41.1	174.7	-66.4	177.4	0	0	0	111.9	L241 E336 E337 P338 S344 G345 Q346	L241-L341 HydrophobicContact CB-CD1 3.98Å; L241-L341 HydrophobicContact CD2-CB 3.74Å; L241-L341 HydrophobicContact CD2-CD1 4.38Å; E336-L341 HydrophobicContact CB-CD2 3.96Å; E336-L341 HydrophobicContact CB-CG 4.08Å; E336-L341 HydrophobicContact CG-CD2 4.43Å; E337-L341 PolarHBondContact O-N 2.94Å; E337-L341 VanDerWaalsContact O-N 3.08Å; P338-L341 PolarHBondContact O-N 3.47Å; L341-S344 PolarHBondContact O-OG 3.18Å; L341-G345 PolarHBondContact O-N 2.76Å; L341-G345 VanDerWaalsContact O-N 3.16Å; L341-Q346 HydrophobicContact CD2-CB 3.98Å; L341-Q346 PolarHBondContact O-N 2.83Å
342	L	96.3	Very high	96.8	Very high	2 Å²	2	51.4 Å²	51.4	1%	0.01	25%	0.253	C	S	.	.	H	α-helix	trans	-65.5	-48.3	173.9	-70.8	169.7	0	0	0	111.8	L241 I260 P338 R339 S344 G345 F347 F450 M453 Y454 Y457	L241-L342 HydrophobicContact CD2-CD2 4.06Å; L241-L342 HydrophobicContact CD2-CG 4.12Å; I260-L342 HydrophobicContact CD1-CD1 4.27Å; I260-L342 HydrophobicContact CG2-CD1 3.69Å; P338-L342 VanDerWaalsContact O-CG 3.3Å; P338-L342 WeakPolarHBondContact O-CG 3.48Å; P338-L342 PolarHBondContact O-N 3.46Å; R339-L342 PolarHBondContact O-N 3.49Å; L342-S344 PolarHBondContact O-N 3.35Å; L342-G345 PolarHBondContact O-N 2.7Å; L342-F347 HydrophobicContact CD2-CD1 3.89Å; L342-F347 HydrophobicContact CD2-CE1 4.09Å; L342-F347 HydrophobicContact CD2-CG 4.49Å; L342-F450 HydrophobicContact CD1-CD2 3.67Å; L342-F450 HydrophobicContact CD1-CE2 3.93Å; L342-F450 HydrophobicContact CD1-CG 4.48Å; L342-F450 HydrophobicContact CD2-CD2 4.13Å; L342-F450 HydrophobicContact CD2-CE2 3.81Å; L342-F450 HydrophobicContact CD2-CZ 4.08Å; L342-F450 HydrophobicContact CG-CD2 4.48Å; L342-F450 HydrophobicContact CG-CE2 4.32Å; L342-M453 HydrophobicContact CB-CB 4.25Å; L342-M453 HydrophobicContact CB-CG 4.14Å; L342-M453 HydrophobicContact CD2-CB 4.18Å; L342-Y454 HydrophobicContact CD2-CE2 4.36Å; L342-Y457 WeakPolarHBondContact O-CE2 3.36Å
343	D	94.4	Very high	96.8	Very high	106 Å²	106	46.1 Å²	46.1	57%	0.567	23%	0.228	S	C	*	.	H	α-helix	trans	-60.1	-35.3	-179.3	-75.3	-19.5	0	0	0	112.2	R339 A340 Y457	R339-D343 WeakPolarHBondContact O-CB 3.36Å; R339-D343 PolarHBondContact O-N 3.38Å; A340-D343 PolarHBondContact O-N 3.29Å; D343-Y457 PolarHBondContact O-OH 3.12Å
344	S	95.7	Very high	96.9	Very high	60 Å²	60	46.1 Å²	46.1	42%	0.42	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-4.8	178	59.8	0	0	0	0	114.4	A340 L341 L342 Q346	A340-S344 WeakPolarHBondContact O-CB 3.02Å; A340-S344 PolarHBondContact O-N 3.26Å; A340-S344 PolarHBondContact O-OG 3.15Å; L341-S344 PolarHBondContact O-OG 3.18Å; L342-S344 PolarHBondContact O-N 3.35Å; S344-Q346 VanDerWaalsContact C-N 3.29Å; S344-Q346 PolarHBondContact O-N 2.87Å; S344-Q346 WeakPolarHBondContact OG-CG 3.21Å; S344-Q346 PolarHBondContact OG-NE2 3.33Å
345	G	95.5	Very high	96.9	Very high	12 Å²	12	45.9 Å²	45.9	12%	0.124	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.8	17.7	-178.7	0	0	0	0	0	114.3	L341 L342 F347 Y457	L341-G345 PolarHBondContact O-N 2.76Å; L341-G345 VanDerWaalsContact O-N 3.16Å; L342-G345 PolarHBondContact O-N 2.7Å; G345-F347 VanDerWaalsContact C-N 3.31Å; G345-F347 PolarHBondContact O-N 2.9Å; G345-F347 VanDerWaalsContact O-N 3.14Å; G345-Y457 VanDerWaalsContact CA-CZ 3.44Å; G345-Y457 PolarHBondContact N-OH 2.89Å
346	Q	96	Very high	97	Very high	101 Å²	101	43.8 Å²	43.8	47%	0.472	21%	0.214	S	C	.	.			trans	-86.6	66.4	-179.1	-69.1	-173.9	88.6	0	0	111.3	L341 S344	L341-Q346 HydrophobicContact CD2-CB 3.98Å; L341-Q346 PolarHBondContact O-N 2.83Å; S344-Q346 VanDerWaalsContact C-N 3.29Å; S344-Q346 PolarHBondContact O-N 2.87Å; S344-Q346 WeakPolarHBondContact OG-CG 3.21Å; S344-Q346 PolarHBondContact OG-NE2 3.33Å
347	F	97	Very high	97.1	Very high	11 Å²	11	39.5 Å²	39.5	5%	0.048	19%	0.194	C	C	.	.	S	Bend	trans	-146.2	162.7	176.5	52.7	-98.5	0	0	0	111	L241 L342 G345 R349 Y454 Y457	L241-F347 HydrophobicContact CD2-CB 3.87Å; L342-F347 HydrophobicContact CD2-CD1 3.89Å; L342-F347 HydrophobicContact CD2-CE1 4.09Å; L342-F347 HydrophobicContact CD2-CG 4.49Å; G345-F347 VanDerWaalsContact C-N 3.31Å; G345-F347 PolarHBondContact O-N 2.9Å; G345-F347 VanDerWaalsContact O-N 3.14Å; F347-R349 PolarHBondContact O-N 2.99Å; F347-R349 VanDerWaalsContact O-N 3.16Å; F347-Y454 HydrophobicContact CD2-CD2 4.17Å; F347-Y454 HydrophobicContact CD2-CE1 4.08Å; F347-Y454 AromaticContact CD2-CE2 3.48Å; F347-Y454 HydrophobicContact CD2-CE2 3.48Å; F347-Y454 VanDerWaalsContact CD2-CE2 3.48Å; F347-Y454 AromaticContact CD2-CZ 3.4Å; F347-Y454 WeakPolarHBondContact CD2-OH 3.36Å; F347-Y454 HydrophobicContact CE2-CD1 4.29Å; F347-Y454 AromaticContact CE2-CD2 3.87Å; F347-Y454 HydrophobicContact CE2-CD2 3.87Å; F347-Y454 HydrophobicContact CE2-CE1 4.11Å; F347-Y454 AromaticContact CE2-CE2 3.67Å; F347-Y454 HydrophobicContact CE2-CE2 3.67Å; F347-Y454 HydrophobicContact CE2-CG 4.15Å; F347-Y454 AromaticContact CE2-CZ 3.77Å; F347-Y454 AromaticContact CG-CE2 3.98Å; F347-Y454 HydrophobicContact CG-CE2 3.98Å; F347-Y454 HydrophobicContact CZ-CD2 4.22Å; F347-Y454 HydrophobicContact CZ-CE2 4.29Å; F347-Y457 AromaticContact CE1-CD2 3.78Å; F347-Y457 HydrophobicContact CE1-CD2 3.78Å; F347-Y457 HydrophobicContact CE1-CE2 4.2Å; F347-Y457 HydrophobicContact CE1-CG 4.27Å; F347-Y457 AromaticContact CZ-CD2 3.59Å; F347-Y457 HydrophobicContact CZ-CD2 3.59Å; F347-Y457 HydrophobicContact CZ-CE2 4.45Å; F347-Y457 AromaticContact CZ-CG 3.78Å; F347-Y457 HydrophobicContact CZ-CG 3.78Å
348	K	97.9	Very high	97.1	Very high	36 Å²	36	39.6 Å²	39.6	16%	0.157	19%	0.189	C	C	.	.			trans	-62.4	117.2	174.8	-174.9	-174.1	176.8	71.6	0	110.4	L240 Q246 F249 K250 C350 Y454	L240-K348 HydrophobicContact CD2-CB 4.09Å; L240-K348 HydrophobicContact CD2-CD 4.26Å; L240-K348 PolarHBondContact O-N 2.92Å; Q246-K348 HydrophobicContact CB-CB 4.24Å; Q246-K348 HydrophobicContact CB-CD 4.35Å; Q246-K348 HydrophobicContact CB-CG 4.34Å; Q246-K348 HydrophobicContact CG-CB 3.91Å; Q246-K348 PolarHBondContact O-NZ 3.01Å; F249-K348 HydrophobicContact CD2-CD 4.11Å; F249-K348 HydrophobicContact CE1-CD 4.23Å; F249-K348 HydrophobicContact CE2-CD 3.54Å; F249-K348 HydrophobicContact CZ-CD 3.61Å; F249-K348 WeakPolarHBondContact O-CE 3.42Å; F249-K348 PolarHBondContact O-NZ 3.18Å; K250-K348 VanDerWaalsContact O-CE 3.27Å; K250-K348 WeakPolarHBondContact O-CE 3.3Å; K348-C350 HydrophobicContact CD-CB 4.5Å; K348-C350 HydrophobicContact CG-CB 4.46Å; K348-C350 PolarHBondContact O-N 2.98Å; K348-Y454 PolarHBondContact O-OH 2.93Å
349	R	95.1	Very high	97.1	Very high	171 Å²	171	40.1 Å²	40.1	65%	0.645	19%	0.191	S	C	*	.			trans	-78.2	103.8	172.1	-61.6	-172.6	-178	-160.3	0.7	109.9	F347	F347-R349 PolarHBondContact O-N 2.99Å; F347-R349 VanDerWaalsContact O-N 3.16Å
350	C	97.6	Very high	97.3	Very high	14 Å²	14	35.3 Å²	35.3	10%	0.095	17%	0.173	C	C	.	.			trans	-146.3	172.8	175.4	64	0	0	0	0	110.8	K250 K348	K250-C350 WeakPolarHBondContact O-CB 3.25Å; K348-C350 HydrophobicContact CD-CB 4.5Å; K348-C350 HydrophobicContact CG-CB 4.46Å; K348-C350 PolarHBondContact O-N 2.98Å
351	E	98.5	Very high	97.4	Very high	54 Å²	54	33.5 Å²	33.5	25%	0.252	16%	0.159	S	C	.	.			trans	-65.1	143.5	167.4	-52.9	87	175.1	0	0	110.3	R251 T460 F520	R251-E351 WeakPolarHBondContact CD-OE2 3.43Å; R251-E351 WeakPolarHBondContact CG-OE2 3.28Å; R251-E351 IonicContact NE-OE2 2.72Å; R251-E351 PolarHBondContact NE-OE2 3.04Å; E351-T460 WeakPolarHBondContact CA-O 3.37Å; E351-F520 HydrophobicContact CB-CE2 3.75Å; E351-F520 HydrophobicContact CB-CZ 3.93Å
352	L	98.8	Very high	97.4	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	132.7	-176.9	-174.8	69.1	0	0	0	110.5	L240 A252 L254 V354 F450 Y454 T460 V461 Y462	L240-L352 HydrophobicContact CD1-CD1 3.91Å; A252-L352 HydrophobicContact CB-CD1 3.88Å; L254-L352 HydrophobicContact CD1-CD1 3.78Å; L254-L352 HydrophobicContact CD1-CD2 4.25Å; L254-L352 HydrophobicContact CD1-CG 4.47Å; L254-L352 HydrophobicContact CG-CD1 4Å; L352-V354 HydrophobicContact CD1-CG1 4.3Å; L352-V354 HydrophobicContact CD2-CG1 3.62Å; L352-V354 HydrophobicContact CG-CG1 3.67Å; L352-F450 HydrophobicContact CD2-CD1 3.93Å; L352-F450 HydrophobicContact CD2-CE1 4.09Å; L352-Y454 HydrophobicContact CB-CD1 3.94Å; L352-Y454 HydrophobicContact CB-CE1 4.35Å; L352-Y454 HydrophobicContact CD2-CD1 3.83Å; L352-Y454 HydrophobicContact CD2-CD2 4.05Å; L352-Y454 HydrophobicContact CD2-CE1 4.35Å; L352-Y454 HydrophobicContact CD2-CG 3.68Å; L352-Y454 HydrophobicContact CG-CD1 4.43Å; L352-T460 PolarHBondContact N-O 3.04Å; L352-V461 HydrophobicContact CB-CG2 4.32Å; L352-V461 HydrophobicContact CD2-CG1 4.48Å; L352-V461 CarbonylContact O-C 3.46Å; L352-V461 VanDerWaalsContact O-CA 3.25Å; L352-V461 WeakPolarHBondContact O-CA 3.48Å; L352-Y462 PolarHBondContact O-N 3.49Å
353	L	98.9	Very high	97.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	131.4	166.6	-169	164.3	0	0	0	108	A252 I253 L254 Y462 Y464 W517 F520 W539	A252-L353 PolarHBondContact O-N 2.99Å; I253-L353 CarbonylContact C-O 3.54Å; I253-L353 VanDerWaalsContact CA-O 3.22Å; I253-L353 WeakPolarHBondContact CA-O 3.4Å; I253-L353 HydrophobicContact CB-CB 4.43Å; I253-L353 HydrophobicContact CG1-CB 4.06Å; I253-L353 HydrophobicContact CG2-CB 4.27Å; I253-L353 HydrophobicContact CG2-CD2 3.8Å; L254-L353 PolarHBondContact N-O 2.76Å; L353-Y462 CarbonylContact C-O 3.52Å; L353-Y462 WeakPolarHBondContact CA-O 3.5Å; L353-Y464 HydrophobicContact CD2-CD1 3.71Å; L353-Y464 HydrophobicContact CD2-CE1 3.84Å; L353-W517 HydrophobicContact CD1-CE3 4.38Å; L353-W517 HydrophobicContact CD1-CZ3 4.44Å; L353-W517 HydrophobicContact CD2-CH2 3.93Å; L353-W517 HydrophobicContact CD2-CZ2 4Å; L353-W517 HydrophobicContact CD2-CZ3 4.4Å; L353-F520 HydrophobicContact CB-CD1 4.22Å; L353-F520 HydrophobicContact CB-CD2 4.26Å; L353-F520 HydrophobicContact CB-CE1 4.03Å; L353-F520 HydrophobicContact CB-CE2 4.07Å; L353-F520 HydrophobicContact CB-CG 4.32Å; L353-F520 HydrophobicContact CB-CZ 3.95Å; L353-F520 HydrophobicContact CD1-CB 4.23Å; L353-F520 HydrophobicContact CD1-CD1 4.47Å; L353-F520 HydrophobicContact CD1-CD2 4.42Å; L353-F520 HydrophobicContact CD1-CG 4.12Å; L353-W539 HydrophobicContact CD1-CH2 3.78Å; L353-W539 HydrophobicContact CD1-CZ2 4.49Å; L353-W539 HydrophobicContact CD1-CZ3 4.1Å; L353-W539 HydrophobicContact CD2-CH2 3.89Å; L353-W539 HydrophobicContact CD2-CZ2 4.36Å; L353-W539 HydrophobicContact CG-CH2 3.87Å; L353-W539 HydrophobicContact CG-CZ2 4.21Å
354	V	98.8	Very high	97.6	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	162.2	177.6	-53.6	0	0	0	0	111.3	L254 L352 V447 A451 V461 Y462 S463 Y464	L254-V354 HydrophobicContact CB-CB 4.49Å; L254-V354 HydrophobicContact CB-CG1 4.06Å; L254-V354 HydrophobicContact CD1-CG1 3.97Å; L254-V354 HydrophobicContact CG-CG1 4.38Å; L254-V354 CarbonylContact O-C 3.54Å; L254-V354 VanDerWaalsContact O-CA 3.28Å; L254-V354 WeakPolarHBondContact O-CA 3.22Å; L352-V354 HydrophobicContact CD1-CG1 4.3Å; L352-V354 HydrophobicContact CD2-CG1 3.62Å; L352-V354 HydrophobicContact CG-CG1 3.67Å; V354-V447 HydrophobicContact CB-CG1 3.74Å; V354-V447 HydrophobicContact CG1-CG1 4.49Å; V354-V447 HydrophobicContact CG2-CG1 4.11Å; V354-A451 HydrophobicContact CG1-CB 4.45Å; V354-A451 HydrophobicContact CG2-CB 3.8Å; V354-V461 HydrophobicContact CG2-CG1 4.47Å; V354-Y462 PolarHBondContact N-O 3.41Å; V354-S463 CarbonylContact O-C 3.1Å; V354-S463 VanDerWaalsContact O-CA 3.22Å; V354-S463 WeakPolarHBondContact O-CA 3.27Å; V354-Y464 WeakPolarHBondContact O-CD1 3.06Å; V354-Y464 PolarHBondContact O-N 3.37Å
355	G	98.5	Very high	97.7	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.3	175.6	163.4	0	0	0	0	0	113.4	L254 S256 Y464	L254-G355 PolarHBondContact O-N 2.93Å; L254-G355 VanDerWaalsContact O-N 3.08Å; S256-G355 PolarHBondContact N-O 2.97Å; G355-Y464 VanDerWaalsContact CA-CE1 3.42Å; G355-Y464 WeakPolarHBondContact CA-O 3.31Å
356	N	98.7	Very high	97.7	Very high	3 Å²	3	27.7 Å²	27.7	2%	0.016	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	156.9	-179.7	-60.4	-72.9	0	0	0	109.4	E360 H444 V447 Y464 Y465 F466	N356-E360 WeakPolarHBondContact CA-OE1 3.21Å; N356-E360 VanDerWaalsContact CB-OE1 3.25Å; N356-E360 WeakPolarHBondContact CB-OE1 3.22Å; N356-H444 PolarHBondContact ND2-ND1 3.09Å; N356-H444 WeakPolarHBondContact OD1-CA 3.47Å; N356-V447 WeakPolarHBondContact OD1-CB 3.19Å; N356-V447 VanDerWaalsContact OD1-CG2 3.3Å; N356-V447 WeakPolarHBondContact OD1-CG2 3.45Å; N356-Y464 PolarHBondContact N-O 2.99Å; N356-Y465 HydrophobicContact CB-CD2 4.39Å; N356-Y465 WeakPolarHBondContact O-CA 3.16Å; N356-Y465 WeakPolarHBondContact O-CD2 3.47Å; N356-F466 PolarHBondContact O-N 3.33Å
357	N	98.6	Very high	97.6	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.005	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	163.3	168.1	-63.8	-1.1	0	0	0	110.2	E360 Y465 F466 V482 G484 E486	N357-E360 PolarHBondContact N-OE1 3.45Å; N357-E360 WeakPolarHBondContact O-CG 3.45Å; N357-Y465 WeakPolarHBondContact O-CE2 3.35Å; N357-F466 CarbonylContact C-O 3.49Å; N357-F466 HydrophobicContact CB-CD1 4.27Å; N357-F466 WeakPolarHBondContact OD1-CB 3.46Å; N357-V482 PolarHBondContact ND2-O 2.7Å; N357-G484 PolarHBondContact ND2-N 3.38Å; N357-E486 PolarHBondContact ND2-OE2 3.12Å; N357-E486 PolarHBondContact OD1-OE2 3.22Å
358	R	97.7	Very high	97.4	Very high	114 Å²	114	28.4 Å²	28.4	43%	0.43	12%	0.115	S	C	.	.	S	Bend	trans	-73	-39.6	-176.3	-164.5	-164.8	156.9	146.2	0.7	112.5	K436 Y465 F466 T467 A481	R358-K436 WeakPolarHBondContact O-CE 3.44Å; R358-K436 PolarHBondContact O-NZ 2.92Å; R358-Y465 HydrophobicContact CG-CE1 4.19Å; R358-Y465 WeakPolarHBondContact CG-OH 3.46Å; R358-F466 PolarHBondContact N-O 3.01Å; R358-T467 HydrophobicContact CB-CG2 4.24Å; R358-T467 HydrophobicContact CG-CG2 4.28Å; R358-A481 HydrophobicContact CB-CB 4.24Å
359	E	98.4	Very high	97.1	Very high	14 Å²	14	27.3 Å²	27.3	7%	0.065	11%	0.112	C	C	.	.	B	Isolated β-bridge	trans	-117.9	71.9	-179.3	-77	70.8	-126.8	0	0	111.2	S361 I362 D435 K436 M479 G480 A481 V482	E359-S361 PolarHBondContact O-N 2.92Å; E359-I362 HydrophobicContact CB-CG2 3.94Å; E359-D435 VanDerWaalsContact C-OD1 3.3Å; E359-D435 VanDerWaalsContact CA-OD2 3.31Å; E359-D435 WeakPolarHBondContact CA-OD2 3.44Å; E359-K436 IonicContact OE1-NZ 3.7Å; E359-K436 PolarHBondContact OE1-NZ 2.88Å; E359-M479 VanDerWaalsContact CB-O 3.3Å; E359-M479 WeakPolarHBondContact CB-O 3.26Å; E359-M479 WeakPolarHBondContact CG-O 3.46Å; E359-G480 WeakPolarHBondContact OE2-CA 3.17Å; E359-A481 PolarHBondContact N-O 3.28Å; E359-A481 PolarHBondContact OE2-N 3.06Å; E359-V482 VanDerWaalsContact O-CA 3.32Å; E359-V482 WeakPolarHBondContact O-CA 3.29Å
360	E	98.6	Very high	96.8	Very high	3 Å²	3	22.8 Å²	22.8	1%	0.014	10%	0.101	C	C	.	.	S	Bend	trans	-68.1	-31.5	-172.2	-68.3	-73.2	-160.1	0	0	114.8	S256 N356 N357 F364 D435 F443 H483	S256-E360 VanDerWaalsContact CB-OE1 3.29Å; S256-E360 WeakPolarHBondContact CB-OE1 3.35Å; S256-E360 PolarHBondContact OG-OE1 3.31Å; N356-E360 WeakPolarHBondContact CA-OE1 3.21Å; N356-E360 VanDerWaalsContact CB-OE1 3.25Å; N356-E360 WeakPolarHBondContact CB-OE1 3.22Å; N357-E360 PolarHBondContact N-OE1 3.45Å; N357-E360 WeakPolarHBondContact O-CG 3.45Å; E360-F364 WeakPolarHBondContact O-CE2 3.49Å; E360-D435 PolarHBondContact N-OD1 2.93Å; E360-F443 HydrophobicContact CB-CB 3.93Å; E360-F443 HydrophobicContact CB-CD2 3.71Å; E360-F443 HydrophobicContact CB-CG 4.04Å; E360-F443 HydrophobicContact CG-CB 3.9Å; E360-F443 HydrophobicContact CG-CG 4.45Å; E360-H483 WeakPolarHBondContact O-CB 3.45Å; E360-H483 IonicContact OE2-CE1 2.67Å; E360-H483 IonicContact OE2-CG 2.8Å; E360-H483 IonicContact OE2-ND1 3.28Å; E360-H483 PolarHBondContact OE2-ND1 3.05Å
361	S	98.1	Very high	96.5	Very high	0 Å²	0	31 Å²	31	0%	0	13%	0.134	C	C	.	.	S	Bend	trans	-107	-19.5	-167.8	72.4	0	0	0	0	114.2	E359 Y363 F364 I365 D435 L438 G439	E359-S361 PolarHBondContact O-N 2.92Å; S361-Y363 PolarHBondContact O-N 3.28Å; S361-F364 PolarHBondContact O-N 3.21Å; S361-I365 WeakPolarHBondContact O-CG1 3.13Å; S361-I365 PolarHBondContact O-N 3.11Å; S361-I365 VanDerWaalsContact OG-CD1 3.26Å; S361-I365 WeakPolarHBondContact OG-CD1 3.39Å; S361-D435 PolarHBondContact N-OD1 3.37Å; S361-D435 VanDerWaalsContact OG-CA 3.27Å; S361-D435 WeakPolarHBondContact OG-CA 3.13Å; S361-D435 PolarHBondContact OG-O 3.28Å; S361-D435 PolarHBondContact OG-OD1 3.21Å; S361-L438 WeakPolarHBondContact OG-CB 3.43Å; S361-G439 PolarHBondContact OG-N 3.27Å
362	I	97.4	Very high	96.3	Very high	3 Å²	3	29.7 Å²	29.7	2%	0.015	13%	0.129	C	C	.	.	H	α-helix	trans	-61.7	-30.9	-173.4	-160.2	61.2	0	0	0	113.3	E359 F364 I365 V366 F373 D435 W478 M479 V482	E359-I362 HydrophobicContact CB-CG2 3.94Å; I362-F364 VanDerWaalsContact C-N 3.26Å; I362-F364 PolarHBondContact O-N 3.36Å; I362-I365 HydrophobicContact CD1-CB 4.16Å; I362-I365 HydrophobicContact CD1-CD1 4.06Å; I362-I365 HydrophobicContact CD1-CG2 4.15Å; I362-I365 PolarHBondContact O-N 3.3Å; I362-V366 PolarHBondContact O-N 3.42Å; I362-F373 HydrophobicContact CD1-CE1 4.49Å; I362-D435 HydrophobicContact CB-CB 4.09Å; I362-D435 HydrophobicContact CD1-CB 4.47Å; I362-D435 PolarHBondContact N-OD1 3.5Å; I362-W478 HydrophobicContact CD1-CH2 3.79Å; I362-W478 HydrophobicContact CD1-CZ3 3.53Å; I362-W478 HydrophobicContact CG1-CE3 4.4Å; I362-W478 HydrophobicContact CG1-CH2 3.68Å; I362-W478 HydrophobicContact CG1-CZ3 3.37Å; I362-M479 HydrophobicContact CG1-CE 4.39Å; I362-M479 HydrophobicContact CG1-CG 4.28Å; I362-M479 HydrophobicContact CG2-CB 3.97Å; I362-M479 HydrophobicContact CG2-CE 4.01Å; I362-M479 HydrophobicContact CG2-CG 4.33Å; I362-V482 HydrophobicContact CG2-CG1 3.69Å
363	Y	96.6	Very high	96.1	Very high	30 Å²	30	29.7 Å²	29.7	12%	0.118	13%	0.129	C	C	.	.	H	α-helix	trans	-56.1	-40.7	171.7	172.8	-94.9	0	0	0	111.9	S361 V366 Y367 W475	S361-Y363 PolarHBondContact O-N 3.28Å; Y363-V366 WeakPolarHBondContact O-CG2 3.37Å; Y363-Y367 HydrophobicContact CE1-CE2 4.35Å; Y363-Y367 HydrophobicContact CE2-CE2 4.39Å; Y363-Y367 WeakPolarHBondContact O-CD2 3.15Å; Y363-Y367 VanDerWaalsContact O-CE2 3.32Å; Y363-Y367 WeakPolarHBondContact O-CE2 3.21Å; Y363-W475 AromaticContact CD2-CE2 3.93Å; Y363-W475 AromaticContact CD2-CZ2 3.91Å; Y363-W475 HydrophobicContact CD2-CZ2 3.91Å; Y363-W475 AromaticContact CE2-CE2 3.9Å; Y363-W475 HydrophobicContact CE2-CH2 4.44Å; Y363-W475 AromaticContact CE2-CZ2 3.55Å; Y363-W475 HydrophobicContact CE2-CZ2 3.55Å; Y363-W475 AromaticContact CE2-NE1 3.98Å
364	F	97	Very high	95.9	Very high	27 Å²	27	34.9 Å²	34.9	12%	0.118	15%	0.152	C	C	.	.	H	α-helix	trans	-84	-38.7	-179.3	-53.6	-78.9	0	0	0	111.8	F320 L321 E360 S361 I362 V366 Y367 Y368 F443 H483	F320-F364 HydrophobicContact CE2-CB 3.66Å; F320-F364 HydrophobicContact CZ-CB 3.85Å; L321-F364 HydrophobicContact CD1-CD2 4.36Å; L321-F364 HydrophobicContact CD1-CG 4.47Å; L321-F364 HydrophobicContact CD2-CB 4.04Å; L321-F364 HydrophobicContact CD2-CD1 3.59Å; L321-F364 HydrophobicContact CD2-CD2 4.18Å; L321-F364 HydrophobicContact CD2-CE1 4Å; L321-F364 HydrophobicContact CD2-CG 3.67Å; L321-F364 HydrophobicContact CD2-CZ 4.46Å; L321-F364 HydrophobicContact CG-CB 4.41Å; L321-F364 HydrophobicContact CG-CG 4.42Å; E360-F364 WeakPolarHBondContact O-CE2 3.49Å; S361-F364 PolarHBondContact O-N 3.21Å; I362-F364 VanDerWaalsContact C-N 3.26Å; I362-F364 PolarHBondContact O-N 3.36Å; F364-V366 PolarHBondContact O-N 2.98Å; F364-V366 VanDerWaalsContact O-N 3.17Å; F364-Y367 WeakPolarHBondContact O-CB 3.26Å; F364-Y367 PolarHBondContact O-N 2.87Å; F364-Y368 WeakPolarHBondContact O-CD2 3.46Å; F364-F443 HydrophobicContact CD2-CE2 4.01Å; F364-F443 HydrophobicContact CD2-CZ 4.08Å; F364-F443 HydrophobicContact CE2-CE1 4.42Å; F364-F443 AromaticContact CE2-CE2 3.69Å; F364-F443 HydrophobicContact CE2-CE2 3.69Å; F364-F443 AromaticContact CE2-CZ 3.41Å; F364-F443 HydrophobicContact CE2-CZ 3.41Å; F364-F443 VanDerWaalsContact CE2-CZ 3.41Å; F364-F443 AromaticContact CZ-CZ 3.9Å; F364-F443 HydrophobicContact CZ-CZ 3.9Å; F364-H483 HydrophobicContact CE2-CB 3.9Å; F364-H483 AromaticContact CE2-CD2 3.77Å; F364-H483 AromaticContact CE2-CG 3.73Å; F364-H483 HydrophobicContact CZ-CB 4.32Å; F364-H483 AromaticContact CZ-CD2 3.47Å; F364-H483 VanDerWaalsContact CZ-CD2 3.47Å; F364-H483 WeakPolarHBondContact CZ-CD2 3.32Å; F364-H483 AromaticContact CZ-CG 3.93Å; F364-H483 AromaticContact CZ-NE2 3.88Å
365	I	97.4	Very high	95.7	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-52.1	-43.1	-177.9	-73.1	167	0	0	0	111.1	F320 S361 I362 Y367 Y368 V369 F373 L399 L434 L438	F320-I365 HydrophobicContact CE2-CG1 4.15Å; F320-I365 HydrophobicContact CZ-CG1 3.95Å; S361-I365 WeakPolarHBondContact O-CG1 3.13Å; S361-I365 PolarHBondContact O-N 3.11Å; S361-I365 VanDerWaalsContact OG-CD1 3.26Å; S361-I365 WeakPolarHBondContact OG-CD1 3.39Å; I362-I365 HydrophobicContact CD1-CB 4.16Å; I362-I365 HydrophobicContact CD1-CD1 4.06Å; I362-I365 HydrophobicContact CD1-CG2 4.15Å; I362-I365 PolarHBondContact O-N 3.3Å; I365-Y367 PolarHBondContact O-N 3.03Å; I365-Y367 VanDerWaalsContact O-N 3.16Å; I365-Y368 PolarHBondContact O-N 3.32Å; I365-V369 HydrophobicContact CG2-CG2 3.63Å; I365-V369 WeakPolarHBondContact O-CG2 3.35Å; I365-V369 PolarHBondContact O-N 3.25Å; I365-F373 HydrophobicContact CG2-CD2 4.09Å; I365-F373 HydrophobicContact CG2-CE2 3.74Å; I365-F373 HydrophobicContact CG2-CZ 4.19Å; I365-L399 HydrophobicContact CG1-CD1 4.03Å; I365-L399 HydrophobicContact CG2-CD1 4.05Å; I365-L434 HydrophobicContact CD1-CD2 4.27Å; I365-L434 HydrophobicContact CD1-CG 3.94Å; I365-L434 HydrophobicContact CG2-CD2 3.77Å; I365-L438 HydrophobicContact CD1-CB 4.38Å; I365-L438 HydrophobicContact CD1-CD2 4.46Å
366	V	95.5	Very high	95.4	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-64.6	-19.2	-177.5	-64	0	0	0	0	114.4	F102 I362 Y363 F364 F373 L378 W475 W478 M479	F102-V366 HydrophobicContact CE2-CG2 4.2Å; F102-V366 HydrophobicContact CZ-CB 4.42Å; F102-V366 HydrophobicContact CZ-CG2 4.09Å; I362-V366 PolarHBondContact O-N 3.42Å; Y363-V366 WeakPolarHBondContact O-CG2 3.37Å; F364-V366 PolarHBondContact O-N 2.98Å; F364-V366 VanDerWaalsContact O-N 3.17Å; V366-F373 HydrophobicContact CB-CB 4.38Å; V366-F373 HydrophobicContact CG1-CB 4.17Å; V366-F373 HydrophobicContact CG1-CD1 4.06Å; V366-F373 HydrophobicContact CG1-CG 4.23Å; V366-L378 HydrophobicContact CB-CD1 3.64Å; V366-L378 HydrophobicContact CG1-CD1 3.84Å; V366-L378 HydrophobicContact CG1-CD2 3.97Å; V366-L378 HydrophobicContact CG2-CD1 4.44Å; V366-W475 HydrophobicContact CG2-CZ3 4.33Å; V366-W478 HydrophobicContact CG1-CH2 4.27Å; V366-M479 HydrophobicContact CG1-CE 4.31Å; V366-M479 HydrophobicContact CG2-CE 4.29Å
367	Y	93.8	Very high	95.2	Very high	49 Å²	49	46.7 Å²	46.7	19%	0.192	21%	0.205	C	C	.	.	H	α-helix	trans	-82.2	-28.4	173.5	-72.1	-101.4	0	0	0	112.8	D99 Y101 F102 Y363 F364 I365 W475	D99-Y367 VanDerWaalsContact OD2-CE1 3.31Å; D99-Y367 WeakPolarHBondContact OD2-CE1 3.47Å; D99-Y367 PolarHBondContact OD2-OH 2.86Å; Y101-Y367 AromaticContact CD1-CD1 3.51Å; Y101-Y367 HydrophobicContact CD1-CD1 3.51Å; Y101-Y367 AromaticContact CD1-CE1 3.86Å; Y101-Y367 HydrophobicContact CD1-CE1 3.86Å; Y101-Y367 HydrophobicContact CD1-CG 4.18Å; Y101-Y367 HydrophobicContact CE1-CD1 4.35Å; Y101-Y367 AromaticContact CG-CD1 3.98Å; Y101-Y367 HydrophobicContact CG-CD1 3.98Å; Y101-Y367 HydrophobicContact CG-CE1 4.33Å; F102-Y367 HydrophobicContact CD2-CD1 4.23Å; F102-Y367 AromaticContact CD2-CE1 3.5Å; F102-Y367 HydrophobicContact CD2-CE1 3.5Å; F102-Y367 VanDerWaalsContact CD2-CE1 3.5Å; F102-Y367 AromaticContact CD2-CE2 3.99Å; F102-Y367 HydrophobicContact CD2-CE2 3.99Å; F102-Y367 AromaticContact CD2-CZ 3.35Å; F102-Y367 WeakPolarHBondContact CD2-OH 3.36Å; F102-Y367 HydrophobicContact CE2-CD1 4.03Å; F102-Y367 AromaticContact CE2-CD2 3.94Å; F102-Y367 HydrophobicContact CE2-CD2 3.94Å; F102-Y367 AromaticContact CE2-CE1 3.69Å; F102-Y367 HydrophobicContact CE2-CE1 3.69Å; F102-Y367 AromaticContact CE2-CE2 3.6Å; F102-Y367 HydrophobicContact CE2-CE2 3.6Å; F102-Y367 HydrophobicContact CE2-CG 4.14Å; F102-Y367 AromaticContact CE2-CZ 3.46Å; F102-Y367 VanDerWaalsContact CE2-CZ 3.46Å; Y363-Y367 HydrophobicContact CE1-CE2 4.35Å; Y363-Y367 HydrophobicContact CE2-CE2 4.39Å; Y363-Y367 WeakPolarHBondContact O-CD2 3.15Å; Y363-Y367 VanDerWaalsContact O-CE2 3.32Å; Y363-Y367 WeakPolarHBondContact O-CE2 3.21Å; F364-Y367 WeakPolarHBondContact O-CB 3.26Å; F364-Y367 PolarHBondContact O-N 2.87Å; I365-Y367 PolarHBondContact O-N 3.03Å; I365-Y367 VanDerWaalsContact O-N 3.16Å; Y367-W475 HydrophobicContact CE2-CH2 4.26Å
368	Y	94	Very high	94.9	Very high	77 Å²	77	46.8 Å²	46.8	30%	0.302	21%	0.206	S	C	.	.	H	α-helix	trans	-97.6	-30.5	-169	-81.8	-99.2	0	0	0	114.4	E319 F320 L321 F364 I365 L399	E319-Y368 WeakPolarHBondContact O-CE1 3.36Å; F320-Y368 HydrophobicContact CB-CD1 4.3Å; F320-Y368 HydrophobicContact CB-CE1 4.46Å; F320-Y368 HydrophobicContact CD2-CD1 4.09Å; F320-Y368 AromaticContact CD2-CD2 3.58Å; F320-Y368 HydrophobicContact CD2-CD2 3.58Å; F320-Y368 HydrophobicContact CD2-CE1 4.44Å; F320-Y368 AromaticContact CD2-CE2 3.97Å; F320-Y368 HydrophobicContact CD2-CE2 3.97Å; F320-Y368 AromaticContact CD2-CG 3.63Å; F320-Y368 HydrophobicContact CD2-CG 3.63Å; F320-Y368 AromaticContact CE2-CD2 3.95Å; F320-Y368 HydrophobicContact CE2-CD2 3.95Å; F320-Y368 HydrophobicContact CE2-CE2 4.38Å; F320-Y368 HydrophobicContact CE2-CG 4.36Å; L321-Y368 PolarHBondContact N-OH 2.95Å; F364-Y368 WeakPolarHBondContact O-CD2 3.46Å; I365-Y368 PolarHBondContact O-N 3.32Å; Y368-L399 HydrophobicContact CG-CD2 4.42Å
369	V	92.3	Very high	94.6	Very high	13 Å²	13	45 Å²	45	8%	0.079	21%	0.205	C	C	.	.			trans	-115	53.3	-177.2	-78.1	0	0	0	0	111.4	I365 K371 I372 F373 A398 L399	I365-V369 HydrophobicContact CG2-CG2 3.63Å; I365-V369 WeakPolarHBondContact O-CG2 3.35Å; I365-V369 PolarHBondContact O-N 3.25Å; V369-K371 PolarHBondContact O-N 3.11Å; V369-K371 VanDerWaalsContact O-N 3.17Å; V369-I372 PolarHBondContact O-N 3.41Å; V369-F373 HydrophobicContact CB-CD2 4.37Å; V369-F373 HydrophobicContact CG2-CD2 3.48Å; V369-F373 VanDerWaalsContact CG2-CD2 3.48Å; V369-F373 HydrophobicContact CG2-CE2 3.87Å; V369-F373 PolarHBondContact O-N 3.05Å; V369-A398 HydrophobicContact CG1-CB 3.82Å; V369-L399 HydrophobicContact CG1-CD1 4.16Å; V369-L399 HydrophobicContact CG1-CD2 3.91Å; V369-L399 HydrophobicContact CG1-CG 3.88Å; V369-L399 HydrophobicContact CG2-CD1 4.11Å; V369-L399 HydrophobicContact CG2-CD2 4.41Å
370	D	88.3	Confident	94.3	Very high	77 Å²	77	51.4 Å²	51.4	41%	0.412	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-29.9	-177.9	73.3	-23	0	0	0	114.5	Y101 I372 F373 K374	Y101-D370 WeakPolarHBondContact OH-CB 3.45Å; D370-I372 PolarHBondContact O-N 3.04Å; D370-F373 CarbonylContact O-C 3.5Å; D370-K374 WeakPolarHBondContact O-CA 3.3Å; D370-K374 VanDerWaalsContact O-CG 3.28Å; D370-K374 WeakPolarHBondContact O-CG 3.47Å; D370-K374 PolarHBondContact O-N 3Å; D370-K374 VanDerWaalsContact O-N 3.15Å
371	K	91	Very high	93.8	Very high	185 Å²	185	56.4 Å²	56.4	80%	0.804	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-31.9	175.4	-65.1	-177.3	-175.7	173.5	0	112.2	V369	V369-K371 PolarHBondContact O-N 3.11Å; V369-K371 VanDerWaalsContact O-N 3.17Å
372	I	94.7	Very high	93.6	Very high	27 Å²	27	60.7 Å²	60.7	14%	0.138	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94	-61.3	176.9	-61.4	176.9	0	0	0	108.5	V369 D370 K374 F385 L386 L391 A395	V369-I372 PolarHBondContact O-N 3.41Å; D370-I372 PolarHBondContact O-N 3.04Å; I372-K374 VanDerWaalsContact C-N 3.3Å; I372-K374 PolarHBondContact O-N 3.3Å; I372-K374 VanDerWaalsContact O-N 3.09Å; I372-F385 HydrophobicContact CG2-CB 4.34Å; I372-F385 VanDerWaalsContact O-CD1 3.22Å; I372-F385 WeakPolarHBondContact O-CD1 3.43Å; I372-L386 HydrophobicContact CD1-CD2 4.48Å; I372-L386 HydrophobicContact CG2-CD2 3.54Å; I372-L391 HydrophobicContact CG1-CD2 4.36Å; I372-A395 HydrophobicContact CD1-CB 3.79Å
373	F	95	Very high	93.4	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	29%	0.293	C	S	.	.	S	Bend	trans	-88.3	65.9	-178.9	-63.6	-90.2	0	0	0	110.8	I362 I365 V366 V369 D370 R375 L378 F385 L386 Q431 L434 W478	I362-F373 HydrophobicContact CD1-CE1 4.49Å; I365-F373 HydrophobicContact CG2-CD2 4.09Å; I365-F373 HydrophobicContact CG2-CE2 3.74Å; I365-F373 HydrophobicContact CG2-CZ 4.19Å; V366-F373 HydrophobicContact CB-CB 4.38Å; V366-F373 HydrophobicContact CG1-CB 4.17Å; V366-F373 HydrophobicContact CG1-CD1 4.06Å; V366-F373 HydrophobicContact CG1-CG 4.23Å; V369-F373 HydrophobicContact CB-CD2 4.37Å; V369-F373 HydrophobicContact CG2-CD2 3.48Å; V369-F373 VanDerWaalsContact CG2-CD2 3.48Å; V369-F373 HydrophobicContact CG2-CE2 3.87Å; V369-F373 PolarHBondContact O-N 3.05Å; D370-F373 CarbonylContact O-C 3.5Å; F373-R375 PolarHBondContact O-N 2.89Å; F373-L378 HydrophobicContact CB-CD1 4.22Å; F373-L378 WeakPolarHBondContact O-CD1 3.4Å; F373-F385 HydrophobicContact CD1-CB 3.89Å; F373-F385 HydrophobicContact CD1-CD1 4.26Å; F373-F385 AromaticContact CD1-CD2 3.76Å; F373-F385 HydrophobicContact CD1-CD2 3.76Å; F373-F385 HydrophobicContact CD1-CE2 4.31Å; F373-F385 AromaticContact CD1-CG 3.72Å; F373-F385 HydrophobicContact CD1-CG 3.72Å; F373-F385 HydrophobicContact CE1-CB 3.82Å; F373-F385 HydrophobicContact CE1-CD2 4.04Å; F373-F385 HydrophobicContact CE1-CG 4.07Å; F373-F385 HydrophobicContact CG-CG 4.44Å; F373-F385 HydrophobicContact CZ-CB 4.43Å; F373-L386 HydrophobicContact CE2-CD2 4.42Å; F373-L386 HydrophobicContact CZ-CD1 4.27Å; F373-L386 HydrophobicContact CZ-CD2 4.43Å; F373-L386 HydrophobicContact CZ-CG 4.14Å; F373-Q431 HydrophobicContact CE1-CG 4.22Å; F373-Q431 HydrophobicContact CZ-CG 4.28Å; F373-L434 HydrophobicContact CE2-CD2 3.79Å; F373-L434 HydrophobicContact CZ-CD2 3.93Å; F373-W478 AromaticContact CD1-CH2 3.9Å; F373-W478 HydrophobicContact CD1-CH2 3.9Å; F373-W478 HydrophobicContact CD1-CZ2 4.26Å; F373-W478 AromaticContact CE1-CH2 3.6Å; F373-W478 HydrophobicContact CE1-CH2 3.6Å; F373-W478 HydrophobicContact CE1-CZ2 4.29Å; F373-W478 HydrophobicContact CE1-CZ3 4.24Å
374	K	94.7	Very high	93.3	Very high	110 Å²	110	65.1 Å²	65.1	48%	0.478	31%	0.307	S	S	.	.			trans	-56.3	125.9	-178.1	-68.6	-174	178.8	-175.1	0	111.1	D370 I372 D376 H377 L378	D370-K374 WeakPolarHBondContact O-CA 3.3Å; D370-K374 VanDerWaalsContact O-CG 3.28Å; D370-K374 WeakPolarHBondContact O-CG 3.47Å; D370-K374 PolarHBondContact O-N 3Å; D370-K374 VanDerWaalsContact O-N 3.15Å; I372-K374 VanDerWaalsContact C-N 3.3Å; I372-K374 PolarHBondContact O-N 3.3Å; I372-K374 VanDerWaalsContact O-N 3.09Å; K374-D376 PolarHBondContact O-N 3.39Å; K374-H377 HydrophobicContact CB-CB 4.29Å; K374-H377 WeakPolarHBondContact O-CB 3.09Å; K374-H377 PolarHBondContact O-N 2.8Å; K374-L378 PolarHBondContact O-N 3.46Å
375	R	93.2	Very high	93.3	Very high	99 Å²	99	64.3 Å²	64.3	37%	0.374	30%	0.304	S	S	.	.	H	α-helix	trans	-46	-54.4	179.9	-173.1	-175	69.3	173.6	1.6	113.2	Y101 F102 F373 H377 L378 L379	Y101-R375 HydrophobicContact CE1-CB 4.42Å; Y101-R375 HydrophobicContact CE1-CG 4.45Å; Y101-R375 WeakPolarHBondContact O-CD 3.36Å; Y101-R375 PolarHBondContact O-NH1 3.1Å; F102-R375 HydrophobicContact CD1-CG 3.59Å; F102-R375 HydrophobicContact CE1-CB 4.31Å; F102-R375 HydrophobicContact CE1-CG 3.56Å; F102-R375 HydrophobicContact CZ-CG 4.48Å; F373-R375 PolarHBondContact O-N 2.89Å; R375-H377 PolarHBondContact O-N 3.25Å; R375-L378 WeakPolarHBondContact O-CB 3.29Å; R375-L378 PolarHBondContact O-N 2.61Å; R375-L379 HydrophobicContact CG-CD1 4.25Å; R375-L379 WeakPolarHBondContact O-CG 3.36Å; R375-L379 PolarHBondContact O-N 3.43Å
376	D	93.2	Very high	93.2	Very high	90 Å²	90	64.3 Å²	64.3	48%	0.481	30%	0.304	S	S	.	.	H	α-helix	trans	-63.7	-31.4	-175.4	-59.6	-12	0	0	0	112	K374 Q380	K374-D376 PolarHBondContact O-N 3.39Å; D376-Q380 WeakPolarHBondContact O-CB 3.41Å; D376-Q380 WeakPolarHBondContact O-CG 3.31Å; D376-Q380 PolarHBondContact O-N 3.45Å; D376-Q380 VanDerWaalsContact O-N 3.15Å
377	H	94.4	Very high	93.1	Very high	62 Å²	62	68 Å²	68	29%	0.287	33%	0.327	S	S	.	.	H	α-helix	trans	-73.8	-36.4	175.6	-63.8	171.1	0	0	0	112.2	K374 R375 Q380 N381 K382 F385	K374-H377 HydrophobicContact CB-CB 4.29Å; K374-H377 WeakPolarHBondContact O-CB 3.09Å; K374-H377 PolarHBondContact O-N 2.8Å; R375-H377 PolarHBondContact O-N 3.25Å; H377-Q380 CarbonylContact O-C 3.57Å; H377-Q380 PolarHBondContact O-N 3.39Å; H377-N381 PolarHBondContact O-N 2.48Å; H377-K382 HydrophobicContact CB-CB 3.96Å; H377-K382 HydrophobicContact CB-CD 3.88Å; H377-K382 VanDerWaalsContact O-CB 3.23Å; H377-K382 WeakPolarHBondContact O-CB 3.41Å; H377-K382 PolarHBondContact O-N 2.95Å; H377-F385 HydrophobicContact CB-CE1 3.73Å; H377-F385 HydrophobicContact CB-CZ 3.96Å
378	L	92.2	Very high	92.9	Very high	2 Å²	2	68.2 Å²	68.2	1%	0.01	33%	0.331	C	S	.	.	H	α-helix	trans	-61.2	-47.2	173.9	-71.5	165.1	0	0	0	110.5	F102 V366 F373 K374 R375 Q380 N381 F385 P476 W478	F102-L378 HydrophobicContact CE1-CB 4.42Å; F102-L378 HydrophobicContact CE1-CD1 3.97Å; F102-L378 HydrophobicContact CZ-CD1 3.81Å; V366-L378 HydrophobicContact CB-CD1 3.64Å; V366-L378 HydrophobicContact CG1-CD1 3.84Å; V366-L378 HydrophobicContact CG1-CD2 3.97Å; V366-L378 HydrophobicContact CG2-CD1 4.44Å; F373-L378 HydrophobicContact CB-CD1 4.22Å; F373-L378 WeakPolarHBondContact O-CD1 3.4Å; K374-L378 PolarHBondContact O-N 3.46Å; R375-L378 WeakPolarHBondContact O-CB 3.29Å; R375-L378 PolarHBondContact O-N 2.61Å; L378-Q380 PolarHBondContact O-N 2.87Å; L378-N381 WeakPolarHBondContact O-CA 3.39Å; L378-N381 PolarHBondContact O-N 3.27Å; L378-F385 HydrophobicContact CD2-CE2 3.57Å; L378-F385 HydrophobicContact CD2-CZ 3.54Å; L378-F385 HydrophobicContact CG-CE1 4.44Å; L378-F385 HydrophobicContact CG-CE2 4.28Å; L378-F385 HydrophobicContact CG-CZ 3.73Å; L378-P476 WeakPolarHBondContact O-CG 3.45Å; L378-W478 HydrophobicContact CD2-CZ2 3.62Å
379	L	90.6	Very high	93	Very high	78 Å²	78	65.8 Å²	65.8	41%	0.408	32%	0.324	S	S	.	.	H	α-helix	trans	-65.4	-21.4	177.4	-63.5	178.1	0	0	0	112.9	F102 F105 R375 N381	F102-L379 HydrophobicContact CD1-CD2 4.09Å; F102-L379 HydrophobicContact CD1-CG 4.34Å; F105-L379 HydrophobicContact CB-CD2 4.07Å; F105-L379 HydrophobicContact CD1-CD2 4.3Å; F105-L379 HydrophobicContact CD2-CD2 3.62Å; F105-L379 HydrophobicContact CE2-CD2 4.1Å; F105-L379 HydrophobicContact CG-CD2 3.73Å; R375-L379 HydrophobicContact CG-CD1 4.25Å; R375-L379 WeakPolarHBondContact O-CG 3.36Å; R375-L379 PolarHBondContact O-N 3.43Å; L379-N381 VanDerWaalsContact C-N 3.3Å
380	Q	92.3	Very high	93.1	Very high	148 Å²	148	67.7 Å²	67.7	69%	0.692	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	12.3	171.4	-69.8	168.9	12.7	0	0	113.3	D376 H377 L378 K382	D376-Q380 WeakPolarHBondContact O-CB 3.41Å; D376-Q380 WeakPolarHBondContact O-CG 3.31Å; D376-Q380 PolarHBondContact O-N 3.45Å; D376-Q380 VanDerWaalsContact O-N 3.15Å; H377-Q380 CarbonylContact O-C 3.57Å; H377-Q380 PolarHBondContact O-N 3.39Å; L378-Q380 PolarHBondContact O-N 2.87Å; Q380-K382 VanDerWaalsContact C-N 3.27Å; Q380-K382 PolarHBondContact O-N 3.29Å
381	N	88.4	Confident	93.5	Very high	107 Å²	107	66 Å²	66	57%	0.572	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.6	31.7	-179.4	-67	-47.4	0	0	0	114.5	H377 L378 L379 A383	H377-N381 PolarHBondContact O-N 2.48Å; L378-N381 WeakPolarHBondContact O-CA 3.39Å; L378-N381 PolarHBondContact O-N 3.27Å; L379-N381 VanDerWaalsContact C-N 3.3Å; N381-A383 PolarHBondContact O-N 2.87Å
382	K	93.1	Very high	93.8	Very high	90 Å²	90	57.1 Å²	57.1	39%	0.391	29%	0.291	S	S	.	.			trans	-59.4	133	169.4	179.4	170.6	176.7	162.8	0	109.5	H377 Q380 H384 F385 W478	H377-K382 HydrophobicContact CB-CB 3.96Å; H377-K382 HydrophobicContact CB-CD 3.88Å; H377-K382 VanDerWaalsContact O-CB 3.23Å; H377-K382 WeakPolarHBondContact O-CB 3.41Å; H377-K382 PolarHBondContact O-N 2.95Å; Q380-K382 VanDerWaalsContact C-N 3.27Å; Q380-K382 PolarHBondContact O-N 3.29Å; K382-H384 WeakPolarHBondContact CE-O 3.36Å; K382-F385 HydrophobicContact CB-CE1 4.4Å; K382-F385 HydrophobicContact CB-CE2 4.12Å; K382-F385 HydrophobicContact CB-CZ 3.78Å; K382-F385 HydrophobicContact CD-CD1 4.21Å; K382-F385 HydrophobicContact CD-CE1 3.89Å; K382-F385 HydrophobicContact CD-CZ 4.11Å; K382-F385 HydrophobicContact CG-CE1 4.23Å; K382-F385 HydrophobicContact CG-CE2 4.12Å; K382-F385 HydrophobicContact CG-CZ 3.95Å; K382-F385 WeakPolarHBondContact O-CE2 3.36Å; K382-W478 PolarHBondContact O-NE1 3.47Å
383	A	93.1	Very high	93.8	Very high	35 Å²	35	59.8 Å²	59.8	29%	0.289	30%	0.302	S	S	.	.			trans	-99.3	-33	-177.4	0	0	0	0	0	114.6	N381 Q431	N381-A383 PolarHBondContact O-N 2.87Å; A383-Q431 PolarHBondContact O-NE2 3.08Å; A383-Q431 PolarHBondContact O-OE1 3.19Å
384	H	95.1	Very high	93.9	Very high	91 Å²	91	64.9 Å²	64.9	42%	0.421	33%	0.326	S	S	.	.			trans	-112.5	98.6	-171	-51.9	148.6	0	0	0	111.3	K382 T387 P427	K382-H384 WeakPolarHBondContact CE-O 3.36Å; H384-T387 HydrophobicContact CB-CG2 4.39Å; H384-P427 HydrophobicContact CB-CB 3.77Å; H384-P427 HydrophobicContact CB-CG 4.15Å
385	F	96	Very high	94	Very high	10 Å²	10	59.7 Å²	59.7	4%	0.044	30%	0.304	C	S	.	.			trans	-100.9	-41.7	177.8	-69.1	-85	0	0	0	112.8	I372 F373 H377 L378 K382 T387 W478	I372-F385 HydrophobicContact CG2-CB 4.34Å; I372-F385 VanDerWaalsContact O-CD1 3.22Å; I372-F385 WeakPolarHBondContact O-CD1 3.43Å; F373-F385 HydrophobicContact CD1-CB 3.89Å; F373-F385 HydrophobicContact CD1-CD1 4.26Å; F373-F385 AromaticContact CD1-CD2 3.76Å; F373-F385 HydrophobicContact CD1-CD2 3.76Å; F373-F385 HydrophobicContact CD1-CE2 4.31Å; F373-F385 AromaticContact CD1-CG 3.72Å; F373-F385 HydrophobicContact CD1-CG 3.72Å; F373-F385 HydrophobicContact CE1-CB 3.82Å; F373-F385 HydrophobicContact CE1-CD2 4.04Å; F373-F385 HydrophobicContact CE1-CG 4.07Å; F373-F385 HydrophobicContact CG-CG 4.44Å; F373-F385 HydrophobicContact CZ-CB 4.43Å; H377-F385 HydrophobicContact CB-CE1 3.73Å; H377-F385 HydrophobicContact CB-CZ 3.96Å; L378-F385 HydrophobicContact CD2-CE2 3.57Å; L378-F385 HydrophobicContact CD2-CZ 3.54Å; L378-F385 HydrophobicContact CG-CE1 4.44Å; L378-F385 HydrophobicContact CG-CE2 4.28Å; L378-F385 HydrophobicContact CG-CZ 3.73Å; K382-F385 HydrophobicContact CB-CE1 4.4Å; K382-F385 HydrophobicContact CB-CE2 4.12Å; K382-F385 HydrophobicContact CB-CZ 3.78Å; K382-F385 HydrophobicContact CD-CD1 4.21Å; K382-F385 HydrophobicContact CD-CE1 3.89Å; K382-F385 HydrophobicContact CD-CZ 4.11Å; K382-F385 HydrophobicContact CG-CE1 4.23Å; K382-F385 HydrophobicContact CG-CE2 4.12Å; K382-F385 HydrophobicContact CG-CZ 3.95Å; K382-F385 WeakPolarHBondContact O-CE2 3.36Å; F385-T387 PolarHBondContact O-N 3.02Å; F385-W478 AromaticContact CD2-CZ2 4Å; F385-W478 HydrophobicContact CD2-CZ2 4Å; F385-W478 AromaticContact CE2-CZ2 3.83Å; F385-W478 HydrophobicContact CE2-CZ2 3.83Å
386	L	95.9	Very high	94.2	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.286	C	S	.	.			trans	-91.9	74	179.4	-60.8	-178.7	0	0	0	110.2	I372 F373 D388 L391 F392 A395 P427 L430 Q431 L434	I372-L386 HydrophobicContact CD1-CD2 4.48Å; I372-L386 HydrophobicContact CG2-CD2 3.54Å; F373-L386 HydrophobicContact CE2-CD2 4.42Å; F373-L386 HydrophobicContact CZ-CD1 4.27Å; F373-L386 HydrophobicContact CZ-CD2 4.43Å; F373-L386 HydrophobicContact CZ-CG 4.14Å; L386-D388 VanDerWaalsContact C-N 3.29Å; L386-D388 PolarHBondContact O-N 2.72Å; L386-L391 HydrophobicContact CD2-CB 3.88Å; L386-F392 HydrophobicContact CD1-CB 4.35Å; L386-F392 HydrophobicContact CD1-CD2 4.34Å; L386-A395 HydrophobicContact CD2-CB 4.45Å; L386-P427 VanDerWaalsContact O-CA 3.24Å; L386-P427 WeakPolarHBondContact O-CA 3.24Å; L386-P427 WeakPolarHBondContact O-CB 3.44Å; L386-L430 HydrophobicContact CB-CB 3.85Å; L386-L430 HydrophobicContact CB-CD1 4.43Å; L386-L430 HydrophobicContact CD1-CB 4.21Å; L386-L430 VanDerWaalsContact O-CD1 3.3Å; L386-L430 WeakPolarHBondContact O-CD1 3.45Å; L386-Q431 HydrophobicContact CB-CG 4.16Å; L386-Q431 HydrophobicContact CD1-CG 3.89Å; L386-Q431 HydrophobicContact CG-CG 3.91Å; L386-L434 HydrophobicContact CD1-CB 4.13Å; L386-L434 HydrophobicContact CD1-CD2 3.97Å
387	T	93.2	Very high	94.3	Very high	79 Å²	79	55.4 Å²	55.4	49%	0.485	28%	0.282	S	S	.	.			trans	-80.1	-7.9	-174.2	51.6	0	0	0	0	114.7	H384 F385 P427	H384-T387 HydrophobicContact CB-CG2 4.39Å; F385-T387 PolarHBondContact O-N 3.02Å; T387-P427 HydrophobicContact CG2-CG 4.46Å
388	D	91	Very high	94.3	Very high	52 Å²	52	55.1 Å²	55.1	28%	0.278	29%	0.29	S	S	.	.	S	Bend	trans	-147.7	154.4	175.4	82	88.7	0	0	0	111.5	L386 S390 L391 F392	L386-D388 VanDerWaalsContact C-N 3.29Å; L386-D388 PolarHBondContact O-N 2.72Å; D388-S390 PolarHBondContact O-N 2.84Å; D388-S390 VanDerWaalsContact O-N 3.15Å; D388-S390 WeakPolarHBondContact OD1-CA 3.37Å; D388-S390 WeakPolarHBondContact OD1-CB 3.19Å; D388-S390 PolarHBondContact OD1-N 3.42Å; D388-S390 PolarHBondContact OD1-OG 3.02Å; D388-L391 PolarHBondContact O-N 3Å; D388-L391 VanDerWaalsContact O-N 3.12Å; D388-L391 PolarHBondContact OD1-N 3.24Å; D388-L391 VanDerWaalsContact OD2-CD1 3.3Å; D388-L391 WeakPolarHBondContact OD2-CD1 3.14Å; D388-L391 VanDerWaalsContact OD2-CG 3.27Å; D388-L391 WeakPolarHBondContact OD2-CG 3.4Å; D388-F392 PolarHBondContact O-N 3.26Å
389	P	94.8	Very high	94.6	Very high	26 Å²	26	55.1 Å²	55.1	17%	0.169	29%	0.29	C	S	.	.	H	α-helix	trans	-54.8	-31.8	-178.9	-26.3	30.2	0	0	0	114.7	L391 F392 E393 M419 P424 H425	P389-L391 VanDerWaalsContact C-N 3.32Å; P389-L391 PolarHBondContact O-N 2.99Å; P389-F392 WeakPolarHBondContact O-CB 3.39Å; P389-F392 PolarHBondContact O-N 3.2Å; P389-E393 WeakPolarHBondContact O-CG 3.31Å; P389-E393 PolarHBondContact O-N 2.8Å; P389-M419 HydrophobicContact CB-CE 4.02Å; P389-P424 WeakPolarHBondContact CG-O 3.44Å; P389-H425 WeakPolarHBondContact CD-ND1 3.21Å
390	S	95.6	Very high	94.8	Very high	54 Å²	54	51.6 Å²	51.6	38%	0.378	27%	0.272	S	S	.	.	H	α-helix	trans	-70.4	-30.1	-178	81.8	0	0	0	0	112.2	D388 Q394	D388-S390 PolarHBondContact O-N 2.84Å; D388-S390 VanDerWaalsContact O-N 3.15Å; D388-S390 WeakPolarHBondContact OD1-CA 3.37Å; D388-S390 WeakPolarHBondContact OD1-CB 3.19Å; D388-S390 PolarHBondContact OD1-N 3.42Å; D388-S390 PolarHBondContact OD1-OG 3.02Å; S390-Q394 WeakPolarHBondContact O-CB 3.29Å; S390-Q394 WeakPolarHBondContact O-CG 3.2Å; S390-Q394 PolarHBondContact O-N 3.21Å; S390-Q394 PolarHBondContact O-NE2 3.37Å; S390-Q394 VanDerWaalsContact O-NE2 3.07Å
391	L	95.9	Very high	94.9	Very high	40 Å²	40	45.4 Å²	45.4	21%	0.209	24%	0.244	C	C	.	.	H	α-helix	trans	-68.6	-39	172.1	-73.5	171.6	0	0	0	111.2	I372 L386 D388 P389 Q394 A395	I372-L391 HydrophobicContact CG1-CD2 4.36Å; L386-L391 HydrophobicContact CD2-CB 3.88Å; D388-L391 PolarHBondContact O-N 3Å; D388-L391 VanDerWaalsContact O-N 3.12Å; D388-L391 PolarHBondContact OD1-N 3.24Å; D388-L391 VanDerWaalsContact OD2-CD1 3.3Å; D388-L391 WeakPolarHBondContact OD2-CD1 3.14Å; D388-L391 VanDerWaalsContact OD2-CG 3.27Å; D388-L391 WeakPolarHBondContact OD2-CG 3.4Å; P389-L391 VanDerWaalsContact C-N 3.32Å; P389-L391 PolarHBondContact O-N 2.99Å; L391-Q394 PolarHBondContact O-N 2.96Å; L391-A395 WeakPolarHBondContact O-CB 3.21Å; L391-A395 PolarHBondContact O-N 2.96Å
392	F	96.3	Very high	95	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-61.1	-49.6	173	166.1	-100.8	0	0	0	111	L386 D388 P389 Q394 A395 V396 L415 M419 L430 A433 L434	L386-F392 HydrophobicContact CD1-CB 4.35Å; L386-F392 HydrophobicContact CD1-CD2 4.34Å; D388-F392 PolarHBondContact O-N 3.26Å; P389-F392 WeakPolarHBondContact O-CB 3.39Å; P389-F392 PolarHBondContact O-N 3.2Å; F392-Q394 VanDerWaalsContact C-N 3.34Å; F392-Q394 PolarHBondContact O-N 3.03Å; F392-A395 PolarHBondContact O-N 3.36Å; F392-A395 VanDerWaalsContact O-N 3.15Å; F392-V396 HydrophobicContact CD1-CG2 4.42Å; F392-V396 HydrophobicContact CD2-CG2 4.04Å; F392-V396 HydrophobicContact CE1-CG2 4.04Å; F392-V396 HydrophobicContact CE2-CG2 3.59Å; F392-V396 HydrophobicContact CG-CG2 4.44Å; F392-V396 HydrophobicContact CZ-CG2 3.6Å; F392-V396 WeakPolarHBondContact O-CG2 3.42Å; F392-V396 PolarHBondContact O-N 3.36Å; F392-L415 HydrophobicContact CD1-CD2 4.31Å; F392-L415 HydrophobicContact CE1-CD2 3.77Å; F392-M419 HydrophobicContact CD1-CE 3.54Å; F392-M419 HydrophobicContact CE1-CE 3.84Å; F392-L430 HydrophobicContact CB-CB 4.4Å; F392-L430 HydrophobicContact CB-CD2 3.84Å; F392-L430 HydrophobicContact CD1-CD2 4.3Å; F392-L430 HydrophobicContact CD2-CD2 4.42Å; F392-L430 WeakPolarHBondContact CD2-O 3.42Å; F392-L430 HydrophobicContact CG-CD2 3.94Å; F392-A433 HydrophobicContact CE2-CB 3.8Å; F392-A433 HydrophobicContact CZ-CB 4.17Å; F392-L434 HydrophobicContact CD2-CB 4.14Å; F392-L434 HydrophobicContact CD2-CD1 4.46Å; F392-L434 HydrophobicContact CE2-CB 4.12Å; F392-L434 HydrophobicContact CE2-CD1 4.41Å
393	E	96.3	Very high	94.8	Very high	82 Å²	82	44.4 Å²	44.4	38%	0.383	24%	0.236	S	C	.	.	H	α-helix	trans	-58.3	-45.1	176.4	-70.4	-173.4	-153.6	0	0	111.8	P389 A395 V396 Y397 Y411 L415	P389-E393 WeakPolarHBondContact O-CG 3.31Å; P389-E393 PolarHBondContact O-N 2.8Å; E393-A395 VanDerWaalsContact C-N 3.33Å; E393-A395 PolarHBondContact O-N 3.37Å; E393-V396 PolarHBondContact O-N 3.06Å; E393-Y397 WeakPolarHBondContact O-CB 3.28Å; E393-Y397 PolarHBondContact O-N 3.4Å; E393-Y411 PolarHBondContact O-OH 2.74Å; E393-L415 HydrophobicContact CB-CD1 4.49Å; E393-L415 HydrophobicContact CB-CD2 4.41Å; E393-L415 HydrophobicContact CG-CD1 3.76Å; E393-L415 HydrophobicContact CG-CD2 3.91Å; E393-L415 HydrophobicContact CG-CG 4.46Å
394	Q	95.8	Very high	94.8	Very high	108 Å²	108	43.5 Å²	43.5	51%	0.505	23%	0.225	S	C	.	.	H	α-helix	trans	-59.7	-42.1	176	-75.7	168.7	63.8	0	0	112.3	S390 L391 F392 Y397 A398	S390-Q394 WeakPolarHBondContact O-CB 3.29Å; S390-Q394 WeakPolarHBondContact O-CG 3.2Å; S390-Q394 PolarHBondContact O-N 3.21Å; S390-Q394 PolarHBondContact O-NE2 3.37Å; S390-Q394 VanDerWaalsContact O-NE2 3.07Å; L391-Q394 PolarHBondContact O-N 2.96Å; F392-Q394 VanDerWaalsContact C-N 3.34Å; F392-Q394 PolarHBondContact O-N 3.03Å; Q394-Y397 PolarHBondContact O-N 3.01Å; Q394-A398 WeakPolarHBondContact O-CB 3.41Å; Q394-A398 PolarHBondContact O-N 3.41Å
395	A	97.1	Very high	94.6	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-64.6	-48.7	176.7	0	0	0	0	0	111.4	I372 L386 L391 F392 E393 Y397 A398 L399 L434	I372-A395 HydrophobicContact CD1-CB 3.79Å; L386-A395 HydrophobicContact CD2-CB 4.45Å; L391-A395 WeakPolarHBondContact O-CB 3.21Å; L391-A395 PolarHBondContact O-N 2.96Å; F392-A395 PolarHBondContact O-N 3.36Å; F392-A395 VanDerWaalsContact O-N 3.15Å; E393-A395 VanDerWaalsContact C-N 3.33Å; E393-A395 PolarHBondContact O-N 3.37Å; A395-Y397 VanDerWaalsContact C-N 3.32Å; A395-Y397 PolarHBondContact O-N 2.99Å; A395-A398 PolarHBondContact O-N 2.91Å; A395-A398 VanDerWaalsContact O-N 3.14Å; A395-L399 WeakPolarHBondContact O-CB 3.28Å; A395-L399 WeakPolarHBondContact O-CD1 3.38Å; A395-L399 VanDerWaalsContact O-CG 3.25Å; A395-L399 WeakPolarHBondContact O-CG 3.41Å; A395-L399 PolarHBondContact O-N 2.76Å; A395-L434 HydrophobicContact CB-CD1 3.85Å; A395-L434 HydrophobicContact CB-CD2 3.69Å; A395-L434 HydrophobicContact CB-CG 4.45Å
396	V	97.1	Very high	94.3	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.006	24%	0.242	C	C	.	.	H	α-helix	trans	-58.3	-45.5	176.6	175.7	0	0	0	0	110.4	F392 E393 A398 L399 L400 Y411 I414 L415 L434	F392-V396 HydrophobicContact CD1-CG2 4.42Å; F392-V396 HydrophobicContact CD2-CG2 4.04Å; F392-V396 HydrophobicContact CE1-CG2 4.04Å; F392-V396 HydrophobicContact CE2-CG2 3.59Å; F392-V396 HydrophobicContact CG-CG2 4.44Å; F392-V396 HydrophobicContact CZ-CG2 3.6Å; F392-V396 WeakPolarHBondContact O-CG2 3.42Å; F392-V396 PolarHBondContact O-N 3.36Å; E393-V396 PolarHBondContact O-N 3.06Å; V396-A398 VanDerWaalsContact C-N 3.32Å; V396-A398 PolarHBondContact O-N 3.16Å; V396-L399 PolarHBondContact O-N 2.95Å; V396-L400 HydrophobicContact CG1-CD1 3.5Å; V396-L400 HydrophobicContact CG1-CG 3.89Å; V396-L400 WeakPolarHBondContact O-CB 3.14Å; V396-L400 VanDerWaalsContact O-CG 3.25Å; V396-L400 WeakPolarHBondContact O-CG 3.26Å; V396-L400 PolarHBondContact O-N 3.22Å; V396-Y411 HydrophobicContact CB-CE2 4.47Å; V396-Y411 HydrophobicContact CG1-CE2 3.99Å; V396-I414 HydrophobicContact CG1-CG2 4.22Å; V396-L415 HydrophobicContact CB-CD2 4.01Å; V396-L415 HydrophobicContact CG1-CD2 3.95Å; V396-L415 HydrophobicContact CG2-CD2 4.15Å; V396-L434 HydrophobicContact CB-CD1 4.48Å; V396-L434 HydrophobicContact CG2-CD1 3.59Å
397	Y	95.8	Very high	94	Very high	98 Å²	98	48.8 Å²	48.8	38%	0.384	25%	0.245	S	C	.	.	H	α-helix	trans	-62.9	-37.1	177.6	-172	-90.3	0	0	0	112.7	E393 Q394 A395 R405 Y411	E393-Y397 WeakPolarHBondContact O-CB 3.28Å; E393-Y397 PolarHBondContact O-N 3.4Å; Q394-Y397 PolarHBondContact O-N 3.01Å; A395-Y397 VanDerWaalsContact C-N 3.32Å; A395-Y397 PolarHBondContact O-N 2.99Å; Y397-R405 HydrophobicContact CD2-CB 3.88Å; Y397-R405 HydrophobicContact CE2-CB 3.87Å; Y397-R405 HydrophobicContact CE2-CG 4.42Å; Y397-R405 WeakPolarHBondContact CE2-O 3.35Å; Y397-R405 HydrophobicContact CG-CB 4.42Å; Y397-R405 WeakPolarHBondContact O-CD 3.16Å; Y397-Y411 HydrophobicContact CD2-CD2 4.23Å; Y397-Y411 HydrophobicContact CD2-CE1 4.29Å; Y397-Y411 AromaticContact CD2-CE2 3.92Å; Y397-Y411 HydrophobicContact CD2-CE2 3.92Å; Y397-Y411 AromaticContact CD2-CZ 3.96Å; Y397-Y411 HydrophobicContact CG-CE2 4.39Å
398	A	95.6	Very high	93.9	Very high	56 Å²	56	46.8 Å²	46.8	46%	0.463	23%	0.234	S	C	.	.	H	α-helix	trans	-70.4	-32.8	178.9	0	0	0	0	0	112.7	V369 Q394 A395 V396	V369-A398 HydrophobicContact CG1-CB 3.82Å; Q394-A398 WeakPolarHBondContact O-CB 3.41Å; Q394-A398 PolarHBondContact O-N 3.41Å; A395-A398 PolarHBondContact O-N 2.91Å; A395-A398 VanDerWaalsContact O-N 3.14Å; V396-A398 VanDerWaalsContact C-N 3.32Å; V396-A398 PolarHBondContact O-N 3.16Å
399	L	97	Very high	93.9	Very high	2 Å²	2	47 Å²	47	1%	0.01	24%	0.235	C	C	.	.	H	α-helix	trans	-98.9	-19.1	-170.9	-62.9	164.8	0	0	0	113.8	F320 I365 Y368 V369 A395 V396 L434 L438	F320-L399 HydrophobicContact CB-CB 4.28Å; F320-L399 HydrophobicContact CB-CD2 3.98Å; F320-L399 VanDerWaalsContact CB-O 3.28Å; F320-L399 WeakPolarHBondContact CB-O 3.38Å; F320-L399 HydrophobicContact CD1-CB 4.37Å; F320-L399 HydrophobicContact CD2-CD2 3.42Å; F320-L399 VanDerWaalsContact CD2-CD2 3.42Å; F320-L399 HydrophobicContact CE2-CD2 3.98Å; F320-L399 HydrophobicContact CG-CB 4.19Å; F320-L399 HydrophobicContact CG-CD2 3.72Å; I365-L399 HydrophobicContact CG1-CD1 4.03Å; I365-L399 HydrophobicContact CG2-CD1 4.05Å; Y368-L399 HydrophobicContact CG-CD2 4.42Å; V369-L399 HydrophobicContact CG1-CD1 4.16Å; V369-L399 HydrophobicContact CG1-CD2 3.91Å; V369-L399 HydrophobicContact CG1-CG 3.88Å; V369-L399 HydrophobicContact CG2-CD1 4.11Å; V369-L399 HydrophobicContact CG2-CD2 4.41Å; A395-L399 WeakPolarHBondContact O-CB 3.28Å; A395-L399 WeakPolarHBondContact O-CD1 3.38Å; A395-L399 VanDerWaalsContact O-CG 3.25Å; A395-L399 WeakPolarHBondContact O-CG 3.41Å; A395-L399 PolarHBondContact O-N 2.76Å; V396-L399 PolarHBondContact O-N 2.95Å; L399-L434 HydrophobicContact CD1-CD1 4.09Å; L399-L434 HydrophobicContact CD1-CD2 4.27Å; L399-L434 HydrophobicContact CD1-CG 4.43Å; L399-L438 HydrophobicContact CB-CD1 4.12Å; L399-L438 HydrophobicContact CB-CD2 4.32Å; L399-L438 HydrophobicContact CB-CG 4.19Å; L399-L438 HydrophobicContact CD1-CD2 4.27Å
400	L	96	Very high	93.9	Very high	5 Å²	5	45.8 Å²	45.8	3%	0.026	23%	0.227	C	C	.	.	S	Bend	trans	-70.3	144.9	177.8	-80.5	175.1	0	0	0	112.2	V396 H402 R405 Y411 I414 L438 W570	V396-L400 HydrophobicContact CG1-CD1 3.5Å; V396-L400 HydrophobicContact CG1-CG 3.89Å; V396-L400 WeakPolarHBondContact O-CB 3.14Å; V396-L400 VanDerWaalsContact O-CG 3.25Å; V396-L400 WeakPolarHBondContact O-CG 3.26Å; V396-L400 PolarHBondContact O-N 3.22Å; L400-H402 PolarHBondContact O-N 3.25Å; L400-R405 HydrophobicContact CB-CB 4.11Å; L400-R405 WeakPolarHBondContact O-CD 3.43Å; L400-Y411 HydrophobicContact CD1-CD2 3.8Å; L400-Y411 HydrophobicContact CD1-CE2 4.24Å; L400-I414 HydrophobicContact CD1-CB 4.42Å; L400-I414 HydrophobicContact CD1-CD1 3.65Å; L400-I414 HydrophobicContact CD1-CG2 4.15Å; L400-I414 HydrophobicContact CD2-CD1 3.95Å; L400-I414 HydrophobicContact CD2-CG2 4.41Å; L400-I414 HydrophobicContact CG-CD1 4.47Å; L400-L438 HydrophobicContact CD2-CD1 4.4Å; L400-W570 HydrophobicContact CD2-CH2 3.9Å
401	P	93	Very high	93.9	Very high	18 Å²	18	44.6 Å²	44.6	12%	0.117	21%	0.214	C	C	.	.			trans	-49.8	139.7	171.4	-27.2	33.2	0	0	0	111.4	K403 Y404 R405 Y441	P401-K403 HydrophobicContact CB-CG 4.25Å; P401-K403 PolarHBondContact O-N 3.34Å; P401-K403 VanDerWaalsContact O-N 3.07Å; P401-Y404 HydrophobicContact CB-CD2 4.14Å; P401-Y404 HydrophobicContact CG-CD2 4Å; P401-Y404 HydrophobicContact CG-CE2 4.34Å; P401-Y404 PolarHBondContact O-N 3.25Å; P401-R405 PolarHBondContact O-N 3.36Å; P401-R405 VanDerWaalsContact O-N 3.16Å; P401-Y441 HydrophobicContact CG-CD1 4.44Å; P401-Y441 HydrophobicContact CG-CE1 3.57Å
402	H	91.6	Very high	93.9	Very high	69 Å²	69	49.5 Å²	49.5	32%	0.319	23%	0.23	S	C	.	.	H	α-helix	trans	-53	-38.8	-173.4	173.7	-87.7	0	0	0	113.5	E319 L400 Y404 K406	E319-H402 WeakPolarHBondContact OE1-CB 3.31Å; E319-H402 PolarHBondContact OE2-N 3.12Å; L400-H402 PolarHBondContact O-N 3.25Å; H402-Y404 VanDerWaalsContact C-N 3.28Å; H402-Y404 PolarHBondContact O-N 3.2Å; H402-K406 WeakPolarHBondContact CE1-CD 3.32Å; H402-K406 VanDerWaalsContact CE1-CE 3.44Å; H402-K406 WeakPolarHBondContact CE1-CE 3.37Å; H402-K406 PolarHBondContact CE1-NZ 3.22Å; H402-K406 WeakPolarHBondContact NE2-CD 3.39Å; H402-K406 WeakPolarHBondContact NE2-CE 3.47Å; H402-K406 PolarHBondContact NE2-NZ 3.34Å; H402-K406 WeakPolarHBondContact O-CB 3.16Å; H402-K406 PolarHBondContact O-N 2.89Å
403	K	89.4	Confident	93.9	Very high	107 Å²	107	50.1 Å²	50.1	47%	0.465	24%	0.235	S	C	.	.	H	α-helix	trans	-58.9	-32.8	176.5	64.7	179.2	178.1	-176.5	0	114.1	P401 H578	P401-K403 HydrophobicContact CB-CG 4.25Å; P401-K403 PolarHBondContact O-N 3.34Å; P401-K403 VanDerWaalsContact O-N 3.07Å; K403-H578 PolarHBondContact O-CE1 3.16Å
404	Y	93	Very high	94	Very high	16 Å²	16	46.3 Å²	46.3	6%	0.063	22%	0.217	C	C	.	.	H	α-helix	trans	-88.4	-43.8	-178.2	-62.7	-30.5	0	0	0	112	P401 H402 K406 N407 V410 Y441 W570 I574 H578	P401-Y404 HydrophobicContact CB-CD2 4.14Å; P401-Y404 HydrophobicContact CG-CD2 4Å; P401-Y404 HydrophobicContact CG-CE2 4.34Å; P401-Y404 PolarHBondContact O-N 3.25Å; H402-Y404 VanDerWaalsContact C-N 3.28Å; H402-Y404 PolarHBondContact O-N 3.2Å; Y404-K406 VanDerWaalsContact C-N 3.34Å; Y404-K406 PolarHBondContact O-N 3.3Å; Y404-N407 PolarHBondContact O-N 3.36Å; Y404-N407 VanDerWaalsContact O-N 3.13Å; Y404-N407 VanDerWaalsContact O-O 3.06Å; Y404-V410 HydrophobicContact CD1-CG1 3.89Å; Y404-V410 HydrophobicContact CG-CG1 4.1Å; Y404-Y441 AromaticContact CE2-CE2 3.89Å; Y404-Y441 HydrophobicContact CE2-CE2 3.89Å; Y404-Y441 AromaticContact CE2-CZ 3.81Å; Y404-W570 HydrophobicContact CD2-CZ3 4.31Å; Y404-W570 HydrophobicContact CE2-CZ3 4.3Å; Y404-I574 HydrophobicContact CD1-CG2 4.27Å; Y404-I574 HydrophobicContact CE1-CG2 3.91Å; Y404-I574 HydrophobicContact CE2-CG2 4.36Å; Y404-H578 HydrophobicContact CE1-CB 4.42Å
405	R	90.8	Very high	94.1	Very high	68 Å²	68	41.8 Å²	41.8	26%	0.257	20%	0.196	S	C	.	.	H	α-helix	trans	-67.5	-32	178.8	64.9	179.4	-178.8	128.8	-2.5	113.5	Y397 L400 P401 N407	Y397-R405 HydrophobicContact CD2-CB 3.88Å; Y397-R405 HydrophobicContact CE2-CB 3.87Å; Y397-R405 HydrophobicContact CE2-CG 4.42Å; Y397-R405 WeakPolarHBondContact CE2-O 3.35Å; Y397-R405 HydrophobicContact CG-CB 4.42Å; Y397-R405 WeakPolarHBondContact O-CD 3.16Å; L400-R405 HydrophobicContact CB-CB 4.11Å; L400-R405 WeakPolarHBondContact O-CD 3.43Å; P401-R405 PolarHBondContact O-N 3.36Å; P401-R405 VanDerWaalsContact O-N 3.16Å; R405-N407 PolarHBondContact O-N 2.85Å
406	K	88.7	Confident	94.1	Very high	129 Å²	129	48.3 Å²	48.3	56%	0.561	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-15.3	173.9	-79.9	-158.6	170.1	166.1	0	113.7	H402 Y404 P408	H402-K406 WeakPolarHBondContact CE1-CD 3.32Å; H402-K406 VanDerWaalsContact CE1-CE 3.44Å; H402-K406 WeakPolarHBondContact CE1-CE 3.37Å; H402-K406 PolarHBondContact CE1-NZ 3.22Å; H402-K406 WeakPolarHBondContact NE2-CD 3.39Å; H402-K406 WeakPolarHBondContact NE2-CE 3.47Å; H402-K406 PolarHBondContact NE2-NZ 3.34Å; H402-K406 WeakPolarHBondContact O-CB 3.16Å; H402-K406 PolarHBondContact O-N 2.89Å; Y404-K406 VanDerWaalsContact C-N 3.34Å; Y404-K406 PolarHBondContact O-N 3.3Å; K406-P408 WeakPolarHBondContact O-CD 3.05Å
407	N	90.6	Very high	94.1	Very high	14 Å²	14	49.2 Å²	49.2	8%	0.075	23%	0.229	C	C	.	.	S	Bend	trans	-94.9	98.6	173.5	-175.6	-40.7	0	0	0	108.9	Y404 R405 I409 V410 Y411 T581	Y404-N407 PolarHBondContact O-N 3.36Å; Y404-N407 VanDerWaalsContact O-N 3.13Å; Y404-N407 VanDerWaalsContact O-O 3.06Å; R405-N407 PolarHBondContact O-N 2.85Å; N407-I409 PolarHBondContact O-N 3.29Å; N407-I409 VanDerWaalsContact O-N 3.14Å; N407-I409 PolarHBondContact OD1-N 3.06Å; N407-V410 HydrophobicContact CB-CB 3.95Å; N407-V410 HydrophobicContact CB-CG2 4.02Å; N407-V410 VanDerWaalsContact CG-CG2 3.47Å; N407-V410 PolarHBondContact O-N 2.94Å; N407-V410 VanDerWaalsContact O-N 3.14Å; N407-V410 PolarHBondContact OD1-N 3.02Å; N407-V410 VanDerWaalsContact OD1-N 3.1Å; N407-Y411 WeakPolarHBondContact O-CB 3.46Å; N407-Y411 PolarHBondContact O-N 2.92Å; N407-T581 PolarHBondContact ND2-OG1 3.04Å
408	P	89.9	Confident	94.2	Very high	38 Å²	38	45.5 Å²	45.5	25%	0.247	22%	0.215	C	C	.	.	H	α-helix	trans	-58.5	-28	-175.2	19.2	-34.7	0	0	0	114.8	K406 R412 M589	K406-P408 WeakPolarHBondContact O-CD 3.05Å; P408-R412 WeakPolarHBondContact O-CB 3.29Å; P408-R412 VanDerWaalsContact O-CG 3.31Å; P408-R412 WeakPolarHBondContact O-CG 3.25Å; P408-R412 PolarHBondContact O-N 2.9Å; P408-R412 VanDerWaalsContact O-N 3.09Å; P408-M589 HydrophobicContact CB-CE 3.6Å; P408-M589 HydrophobicContact CB-SD 3.6Å; P408-M589 VanDerWaalsContact CB-SD 3.6Å; P408-M589 HydrophobicContact CG-CE 3.17Å; P408-M589 HydrophobicContact CG-SD 3.15Å; P408-M589 WeakPolarHBondContact CG-SD 3.2Å
409	I	91.8	Very high	94.2	Very high	57 Å²	57	43.9 Å²	43.9	29%	0.292	20%	0.198	S	C	.	.	H	α-helix	trans	-74.4	-46.9	177.5	-61	174.2	0	0	0	109.7	N407 R412 A413 L577 T581 L584 M589	N407-I409 PolarHBondContact O-N 3.29Å; N407-I409 VanDerWaalsContact O-N 3.14Å; N407-I409 PolarHBondContact OD1-N 3.06Å; I409-R412 PolarHBondContact O-N 3.14Å; I409-A413 PolarHBondContact O-N 2.96Å; I409-L577 HydrophobicContact CG2-CD1 3.87Å; I409-L577 HydrophobicContact CG2-CD2 4.19Å; I409-L577 HydrophobicContact CG2-CG 4.24Å; I409-T581 HydrophobicContact CB-CG2 4.33Å; I409-T581 HydrophobicContact CD1-CG2 3.67Å; I409-T581 HydrophobicContact CG2-CG2 4.24Å; I409-L584 HydrophobicContact CD1-CD1 3.86Å; I409-M589 HydrophobicContact CD1-CG 4.49Å; I409-M589 HydrophobicContact CD1-SD 4.47Å; I409-M589 HydrophobicContact CG1-SD 3.94Å
410	V	95	Very high	94	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-61.9	-46.7	175.4	173	0	0	0	0	110.8	Y404 N407 R412 A413 I414 I574 L577 H578	Y404-V410 HydrophobicContact CD1-CG1 3.89Å; Y404-V410 HydrophobicContact CG-CG1 4.1Å; N407-V410 HydrophobicContact CB-CB 3.95Å; N407-V410 HydrophobicContact CB-CG2 4.02Å; N407-V410 VanDerWaalsContact CG-CG2 3.47Å; N407-V410 PolarHBondContact O-N 2.94Å; N407-V410 VanDerWaalsContact O-N 3.14Å; N407-V410 PolarHBondContact OD1-N 3.02Å; N407-V410 VanDerWaalsContact OD1-N 3.1Å; V410-R412 PolarHBondContact O-N 2.75Å; V410-A413 WeakPolarHBondContact O-CB 3.32Å; V410-A413 PolarHBondContact O-N 3.31Å; V410-A413 VanDerWaalsContact O-N 3.15Å; V410-I414 HydrophobicContact CG1-CD1 3.97Å; V410-I414 WeakPolarHBondContact O-CG1 3.48Å; V410-I414 PolarHBondContact O-N 3.36Å; V410-I574 HydrophobicContact CG1-CD1 3.88Å; V410-I574 HydrophobicContact CG1-CG2 4.09Å; V410-L577 HydrophobicContact CG2-CB 4.48Å; V410-L577 HydrophobicContact CG2-CD2 4.19Å; V410-L577 HydrophobicContact CG2-CG 4.03Å; V410-H578 HydrophobicContact CG2-CB 3.87Å
411	Y	95.5	Very high	93.9	Very high	28 Å²	28	52.9 Å²	52.9	11%	0.11	24%	0.236	C	C	.	.	H	α-helix	trans	-56.2	-48.1	177.2	175.7	-113.5	0	0	0	112.1	E393 V396 Y397 L400 N407 A413 I414 L415	E393-Y411 PolarHBondContact O-OH 2.74Å; V396-Y411 HydrophobicContact CB-CE2 4.47Å; V396-Y411 HydrophobicContact CG1-CE2 3.99Å; Y397-Y411 HydrophobicContact CD2-CD2 4.23Å; Y397-Y411 HydrophobicContact CD2-CE1 4.29Å; Y397-Y411 AromaticContact CD2-CE2 3.92Å; Y397-Y411 HydrophobicContact CD2-CE2 3.92Å; Y397-Y411 AromaticContact CD2-CZ 3.96Å; Y397-Y411 HydrophobicContact CG-CE2 4.39Å; L400-Y411 HydrophobicContact CD1-CD2 3.8Å; L400-Y411 HydrophobicContact CD1-CE2 4.24Å; N407-Y411 WeakPolarHBondContact O-CB 3.46Å; N407-Y411 PolarHBondContact O-N 2.92Å; Y411-A413 VanDerWaalsContact C-N 3.33Å; Y411-A413 PolarHBondContact O-N 3.02Å; Y411-I414 PolarHBondContact O-N 2.88Å; Y411-L415 HydrophobicContact CD1-CD1 4.23Å; Y411-L415 HydrophobicContact CE1-CD1 3.58Å; Y411-L415 HydrophobicContact CE1-CG 4.31Å; Y411-L415 HydrophobicContact CE2-CD1 4.34Å; Y411-L415 HydrophobicContact CE2-CD2 4.31Å; Y411-L415 HydrophobicContact CE2-CG 4.25Å; Y411-L415 PolarHBondContact O-N 3.31Å
412	R	95.1	Very high	94	Very high	144 Å²	144	60.4 Å²	60.4	54%	0.543	27%	0.27	S	S	.	.	H	α-helix	trans	-64	-35.7	176.4	-78.6	-178	177.5	168.5	1.4	113.3	P408 I409 V410 I414 L415 F416	P408-R412 WeakPolarHBondContact O-CB 3.29Å; P408-R412 VanDerWaalsContact O-CG 3.31Å; P408-R412 WeakPolarHBondContact O-CG 3.25Å; P408-R412 PolarHBondContact O-N 2.9Å; P408-R412 VanDerWaalsContact O-N 3.09Å; I409-R412 PolarHBondContact O-N 3.14Å; V410-R412 PolarHBondContact O-N 2.75Å; R412-I414 VanDerWaalsContact C-N 3.3Å; R412-I414 PolarHBondContact O-N 3.45Å; R412-L415 PolarHBondContact O-N 3.19Å; R412-F416 WeakPolarHBondContact O-CB 3.48Å; R412-F416 PolarHBondContact O-N 3.05Å
413	A	97.5	Very high	94.2	Very high	13 Å²	13	61.7 Å²	61.7	11%	0.107	28%	0.278	C	S	.	.	H	α-helix	trans	-63.9	-38	175.2	0	0	0	0	0	112	I409 V410 Y411 F416 E417 F569 Y573 I574 L577	I409-A413 PolarHBondContact O-N 2.96Å; V410-A413 WeakPolarHBondContact O-CB 3.32Å; V410-A413 PolarHBondContact O-N 3.31Å; V410-A413 VanDerWaalsContact O-N 3.15Å; Y411-A413 VanDerWaalsContact C-N 3.33Å; Y411-A413 PolarHBondContact O-N 3.02Å; A413-F416 PolarHBondContact O-N 3.17Å; A413-E417 WeakPolarHBondContact O-CB 3.27Å; A413-E417 PolarHBondContact O-N 2.94Å; A413-F569 HydrophobicContact CB-CE2 4.36Å; A413-F569 HydrophobicContact CB-CZ 4.49Å; A413-Y573 HydrophobicContact CB-CE1 3.95Å; A413-I574 HydrophobicContact CB-CD1 4.29Å; A413-L577 HydrophobicContact CB-CD2 3.73Å
414	I	98	Very high	94.4	Very high	2 Å²	2	58.4 Å²	58.4	1%	0.01	27%	0.268	C	S	.	.	H	α-helix	trans	-65.9	-45.9	175.6	-64.2	160.8	0	0	0	110.5	V396 L400 V410 Y411 R412 F416 E417 Y418 F569 W570 I574	V396-I414 HydrophobicContact CG1-CG2 4.22Å; L400-I414 HydrophobicContact CD1-CB 4.42Å; L400-I414 HydrophobicContact CD1-CD1 3.65Å; L400-I414 HydrophobicContact CD1-CG2 4.15Å; L400-I414 HydrophobicContact CD2-CD1 3.95Å; L400-I414 HydrophobicContact CD2-CG2 4.41Å; L400-I414 HydrophobicContact CG-CD1 4.47Å; V410-I414 HydrophobicContact CG1-CD1 3.97Å; V410-I414 WeakPolarHBondContact O-CG1 3.48Å; V410-I414 PolarHBondContact O-N 3.36Å; Y411-I414 PolarHBondContact O-N 2.88Å; R412-I414 VanDerWaalsContact C-N 3.3Å; R412-I414 PolarHBondContact O-N 3.45Å; I414-F416 VanDerWaalsContact C-N 3.3Å; I414-F416 PolarHBondContact O-N 2.92Å; I414-E417 PolarHBondContact O-N 3.06Å; I414-Y418 HydrophobicContact CG2-CD2 4.35Å; I414-Y418 WeakPolarHBondContact O-CD2 3.38Å; I414-Y418 PolarHBondContact O-N 3.4Å; I414-F569 HydrophobicContact CB-CZ 4.35Å; I414-F569 HydrophobicContact CG1-CE1 3.97Å; I414-F569 HydrophobicContact CG1-CZ 3.83Å; I414-W570 HydrophobicContact CD1-CH2 3.66Å; I414-W570 HydrophobicContact CD1-CZ3 3.91Å; I414-W570 HydrophobicContact CG1-CH2 3.75Å; I414-W570 HydrophobicContact CG1-CZ2 4.47Å; I414-W570 HydrophobicContact CG1-CZ3 4.16Å; I414-W570 HydrophobicContact CG2-CH2 4.03Å; I414-W570 HydrophobicContact CG2-CZ2 4.21Å; I414-I574 HydrophobicContact CD1-CD1 4.32Å; I414-I574 HydrophobicContact CG1-CD1 3.8Å
415	L	97.1	Very high	94.5	Very high	13 Å²	13	63.9 Å²	63.9	7%	0.068	29%	0.294	C	S	.	.	H	α-helix	trans	-58	-45	175.1	-66.8	179.1	0	0	0	111.8	F392 E393 V396 Y411 R412 E417 Y418 M419	F392-L415 HydrophobicContact CD1-CD2 4.31Å; F392-L415 HydrophobicContact CE1-CD2 3.77Å; E393-L415 HydrophobicContact CB-CD1 4.49Å; E393-L415 HydrophobicContact CB-CD2 4.41Å; E393-L415 HydrophobicContact CG-CD1 3.76Å; E393-L415 HydrophobicContact CG-CD2 3.91Å; E393-L415 HydrophobicContact CG-CG 4.46Å; V396-L415 HydrophobicContact CB-CD2 4.01Å; V396-L415 HydrophobicContact CG1-CD2 3.95Å; V396-L415 HydrophobicContact CG2-CD2 4.15Å; Y411-L415 HydrophobicContact CD1-CD1 4.23Å; Y411-L415 HydrophobicContact CE1-CD1 3.58Å; Y411-L415 HydrophobicContact CE1-CG 4.31Å; Y411-L415 HydrophobicContact CE2-CD1 4.34Å; Y411-L415 HydrophobicContact CE2-CD2 4.31Å; Y411-L415 HydrophobicContact CE2-CG 4.25Å; Y411-L415 PolarHBondContact O-N 3.31Å; R412-L415 PolarHBondContact O-N 3.19Å; L415-E417 VanDerWaalsContact C-N 3.33Å; L415-E417 PolarHBondContact O-N 3.26Å; L415-Y418 PolarHBondContact O-N 3.22Å; L415-M419 WeakPolarHBondContact O-CB 3.26Å; L415-M419 PolarHBondContact O-N 2.06Å
416	F	97.2	Very high	94.8	Very high	136 Å²	136	63.6 Å²	63.6	60%	0.596	30%	0.298	S	S	*	.	H	α-helix	trans	-62.2	-39.2	179.2	177.2	-97.7	0	0	0	113	R412 A413 I414 Y418 Y421	R412-F416 WeakPolarHBondContact O-CB 3.48Å; R412-F416 PolarHBondContact O-N 3.05Å; A413-F416 PolarHBondContact O-N 3.17Å; I414-F416 VanDerWaalsContact C-N 3.3Å; I414-F416 PolarHBondContact O-N 2.92Å; F416-Y418 VanDerWaalsContact C-N 3.31Å; F416-Y418 PolarHBondContact O-N 2.92Å; F416-Y421 WeakPolarHBondContact CA-OH 3.5Å; F416-Y421 AromaticContact CD2-CE2 3.75Å; F416-Y421 HydrophobicContact CD2-CE2 3.75Å; F416-Y421 AromaticContact CD2-CZ 3.97Å; F416-Y421 HydrophobicContact CE2-CE2 4.14Å; F416-Y421 HydrophobicContact CG-CE2 4.49Å
417	E	97.9	Very high	95.1	Very high	21 Å²	21	58.7 Å²	58.7	10%	0.098	28%	0.279	C	S	.	.	H	α-helix	trans	-66.4	-32.8	-177.5	177.4	62.7	-167.1	0	0	113.3	A413 I414 L415 R565 F569	A413-E417 WeakPolarHBondContact O-CB 3.27Å; A413-E417 PolarHBondContact O-N 2.94Å; I414-E417 PolarHBondContact O-N 3.06Å; L415-E417 VanDerWaalsContact C-N 3.33Å; L415-E417 PolarHBondContact O-N 3.26Å; E417-R565 PolarHBondContact O-NH2 3.25Å; E417-R565 IonicContact OE1-CZ 2.63Å; E417-R565 IonicContact OE1-NE 3.33Å; E417-R565 PolarHBondContact OE1-NE 3Å; E417-R565 IonicContact OE1-NH1 2.74Å; E417-R565 PolarHBondContact OE1-NH1 3.48Å; E417-R565 IonicContact OE1-NH2 3.04Å; E417-R565 PolarHBondContact OE1-NH2 2.97Å; E417-R565 IonicContact OE2-CZ 2.76Å; E417-R565 IonicContact OE2-NH1 3.99Å; E417-R565 PolarHBondContact OE2-NH1 3.19Å; E417-R565 IonicContact OE2-NH2 2.99Å; E417-R565 PolarHBondContact OE2-NH2 2.89Å; E417-F569 HydrophobicContact CB-CD1 4.42Å; E417-F569 HydrophobicContact CB-CD2 4.08Å; E417-F569 HydrophobicContact CB-CE1 4.09Å; E417-F569 HydrophobicContact CB-CE2 3.72Å; E417-F569 HydrophobicContact CB-CG 4.4Å; E417-F569 HydrophobicContact CB-CZ 3.72Å; E417-F569 HydrophobicContact CG-CB 4.37Å; E417-F569 HydrophobicContact CG-CD1 3.84Å; E417-F569 HydrophobicContact CG-CD2 3.85Å; E417-F569 HydrophobicContact CG-CE1 3.99Å; E417-F569 HydrophobicContact CG-CE2 4Å; E417-F569 HydrophobicContact CG-CG 3.76Å; E417-F569 HydrophobicContact CG-CZ 4.06Å
418	Y	97.9	Very high	95.4	Very high	20 Å²	20	61.8 Å²	61.8	8%	0.078	30%	0.295	C	S	.	.	H	α-helix	trans	-109.2	-22.6	-170.8	-75.1	-84.5	0	0	0	115	I414 L415 F416 N420 A433 K436 A437 D440 Q566 F569 W570	I414-Y418 HydrophobicContact CG2-CD2 4.35Å; I414-Y418 WeakPolarHBondContact O-CD2 3.38Å; I414-Y418 PolarHBondContact O-N 3.4Å; L415-Y418 PolarHBondContact O-N 3.22Å; F416-Y418 VanDerWaalsContact C-N 3.31Å; F416-Y418 PolarHBondContact O-N 2.92Å; Y418-N420 PolarHBondContact O-N 2.9Å; Y418-A433 VanDerWaalsContact O-CB 3.3Å; Y418-A433 WeakPolarHBondContact O-CB 3.47Å; Y418-K436 HydrophobicContact CD1-CB 4.08Å; Y418-K436 HydrophobicContact CE1-CB 3.93Å; Y418-K436 WeakPolarHBondContact CE1-O 3.28Å; Y418-A437 HydrophobicContact CD1-CB 3.8Å; Y418-A437 HydrophobicContact CD2-CB 3.76Å; Y418-A437 HydrophobicContact CE1-CB 4.05Å; Y418-A437 VanDerWaalsContact CE1-N 3.32Å; Y418-A437 HydrophobicContact CE2-CB 4Å; Y418-A437 HydrophobicContact CG-CB 3.67Å; Y418-A437 VanDerWaalsContact CZ-CA 3.46Å; Y418-D440 WeakPolarHBondContact CE1-OD2 3.45Å; Y418-D440 VanDerWaalsContact OH-CB 3.27Å; Y418-D440 WeakPolarHBondContact OH-CB 3.38Å; Y418-D440 PolarHBondContact OH-OD2 3.34Å; Y418-Q566 HydrophobicContact CE1-CG 4.21Å; Y418-F569 HydrophobicContact CE2-CE1 4.32Å; Y418-W570 HydrophobicContact CE2-CZ2 4.08Å; Y418-W570 AromaticContact CE2-NE1 3.85Å; Y418-W570 AromaticContact CZ-NE1 3.73Å; Y418-W570 PolarHBondContact OH-NE1 3.41Å
419	M	95.2	Very high	95.7	Very high	21 Å²	21	62.5 Å²	62.5	10%	0.103	30%	0.297	C	S	.	.			trans	-63.7	132.3	177.9	179.8	64	78.5	0	0	110.9	P389 F392 L415 Y421 P424 L430	P389-M419 HydrophobicContact CB-CE 4.02Å; F392-M419 HydrophobicContact CD1-CE 3.54Å; F392-M419 HydrophobicContact CE1-CE 3.84Å; L415-M419 WeakPolarHBondContact O-CB 3.26Å; L415-M419 PolarHBondContact O-N 2.06Å; M419-Y421 HydrophobicContact CB-CD2 4.24Å; M419-Y421 HydrophobicContact CB-CE1 4.37Å; M419-Y421 HydrophobicContact CB-CE2 3.77Å; M419-Y421 HydrophobicContact CG-CD1 4.07Å; M419-Y421 HydrophobicContact CG-CD2 4.21Å; M419-Y421 HydrophobicContact CG-CE1 3.88Å; M419-Y421 HydrophobicContact CG-CE2 4.05Å; M419-Y421 HydrophobicContact CG-CG 4.23Å; M419-Y421 WeakPolarHBondContact O-CD2 3.38Å; M419-Y421 PolarHBondContact O-N 3.46Å; M419-P424 HydrophobicContact SD-CB 4.43Å; M419-L430 HydrophobicContact CE-CD2 4.12Å; M419-L430 HydrophobicContact SD-CD2 3.72Å
420	N	93.3	Very high	95.9	Very high	55 Å²	55	60 Å²	60	29%	0.294	28%	0.284	S	S	.	.			trans	-83.5	99.5	166.9	-171.3	-38.6	0	0	0	109.5	Y418 E422 L423 P424	Y418-N420 PolarHBondContact O-N 2.9Å; N420-E422 VanDerWaalsContact C-N 3.29Å; N420-E422 PolarHBondContact O-N 3.43Å; N420-E422 WeakPolarHBondContact OD1-CB 3.36Å; N420-E422 PolarHBondContact OD1-N 2.91Å; N420-L423 CarbonylContact O-C 3.6Å; N420-L423 VanDerWaalsContact O-C 3.32Å; N420-L423 PolarHBondContact O-N 3.47Å; N420-L423 PolarHBondContact OD1-N 3.5Å; N420-P424 VanDerWaalsContact O-CA 3.23Å; N420-P424 WeakPolarHBondContact O-CA 3.3Å; N420-P424 VanDerWaalsContact O-N 3.14Å
421	Y	93.9	Very high	96	Very high	142 Å²	142	60.1 Å²	60.1	56%	0.557	28%	0.284	S	S	*	.	S	Bend	trans	-75	-13.3	-179	-70.5	-78.8	0	0	0	114.5	F416 M419	F416-Y421 WeakPolarHBondContact CA-OH 3.5Å; F416-Y421 AromaticContact CD2-CE2 3.75Å; F416-Y421 HydrophobicContact CD2-CE2 3.75Å; F416-Y421 AromaticContact CD2-CZ 3.97Å; F416-Y421 HydrophobicContact CE2-CE2 4.14Å; F416-Y421 HydrophobicContact CG-CE2 4.49Å; M419-Y421 HydrophobicContact CB-CD2 4.24Å; M419-Y421 HydrophobicContact CB-CE1 4.37Å; M419-Y421 HydrophobicContact CB-CE2 3.77Å; M419-Y421 HydrophobicContact CG-CD1 4.07Å; M419-Y421 HydrophobicContact CG-CD2 4.21Å; M419-Y421 HydrophobicContact CG-CE1 3.88Å; M419-Y421 HydrophobicContact CG-CE2 4.05Å; M419-Y421 HydrophobicContact CG-CG 4.23Å; M419-Y421 WeakPolarHBondContact O-CD2 3.38Å; M419-Y421 PolarHBondContact O-N 3.46Å
422	E	95	Very high	96.1	Very high	175 Å²	175	61.6 Å²	61.6	82%	0.818	29%	0.294	S	S	*	.	S	Bend	trans	-78.5	-37.2	173.6	-61	-177.9	169.9	0	0	111	N420 P424	N420-E422 VanDerWaalsContact C-N 3.29Å; N420-E422 PolarHBondContact O-N 3.43Å; N420-E422 WeakPolarHBondContact OD1-CB 3.36Å; N420-E422 PolarHBondContact OD1-N 2.91Å; E422-P424 VanDerWaalsContact C-CD 3.48Å
423	L	95.1	Very high	96.3	Very high	96 Å²	96	55 Å²	55	50%	0.503	27%	0.271	S	S	.	.	S	Bend	trans	-130.8	62.3	-178.4	-64.1	174.6	0	0	0	111.5	N420 H425 D426 L429	N420-L423 CarbonylContact O-C 3.6Å; N420-L423 VanDerWaalsContact O-C 3.32Å; N420-L423 PolarHBondContact O-N 3.47Å; N420-L423 PolarHBondContact OD1-N 3.5Å; L423-H425 PolarHBondContact O-N 2.9Å; L423-H425 VanDerWaalsContact O-N 3.13Å; L423-D426 HydrophobicContact CB-CB 4.26Å; L423-D426 PolarHBondContact O-N 3.43Å; L423-L429 HydrophobicContact CB-CD1 3.7Å; L423-L429 HydrophobicContact CD1-CD1 3.68Å; L423-L429 HydrophobicContact CG-CD1 4.33Å
424	P	93.7	Very high	96.3	Very high	39 Å²	39	54.4 Å²	54.4	25%	0.253	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-15.3	-170.4	27.6	-35.8	0	0	0	114.1	P389 M419 N420 E422	P389-P424 WeakPolarHBondContact CG-O 3.44Å; M419-P424 HydrophobicContact SD-CB 4.43Å; N420-P424 VanDerWaalsContact O-CA 3.23Å; N420-P424 WeakPolarHBondContact O-CA 3.3Å; N420-P424 VanDerWaalsContact O-N 3.14Å; E422-P424 VanDerWaalsContact C-CD 3.48Å
425	H	95.6	Very high	96.3	Very high	131 Å²	131	54.5 Å²	54.5	61%	0.606	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.5	4.2	-178.3	-62.5	-73.5	0	0	0	113.6	P389 L423 P427	P389-H425 WeakPolarHBondContact CD-ND1 3.21Å; L423-H425 PolarHBondContact O-N 2.9Å; L423-H425 VanDerWaalsContact O-N 3.13Å; H425-P427 VanDerWaalsContact O-CD 3.28Å; H425-P427 WeakPolarHBondContact O-CD 3.03Å
426	D	96.4	Very high	96.4	Very high	61 Å²	61	54.4 Å²	54.4	33%	0.326	27%	0.265	S	S	.	.			trans	-75.8	117.1	177.1	-174.2	-56.4	0	0	0	110.1	L423 L428 L429 L430	L423-D426 HydrophobicContact CB-CB 4.26Å; L423-D426 PolarHBondContact O-N 3.43Å; D426-L428 VanDerWaalsContact C-N 3.31Å; D426-L428 PolarHBondContact O-N 3.48Å; D426-L428 WeakPolarHBondContact OD1-CB 3.16Å; D426-L428 PolarHBondContact OD1-N 2.87Å; D426-L429 HydrophobicContact CB-CB 4.01Å; D426-L429 HydrophobicContact CB-CD1 3.85Å; D426-L429 HydrophobicContact CB-CG 3.98Å; D426-L429 PolarHBondContact O-N 3.38Å; D426-L429 PolarHBondContact OD1-N 2.74Å; D426-L430 WeakPolarHBondContact O-CG 3.45Å; D426-L430 PolarHBondContact O-N 3.19Å
427	P	96.1	Very high	96.4	Very high	27 Å²	27	48 Å²	48	18%	0.175	24%	0.237	C	C	.	.	H	α-helix	trans	-66.1	-31.6	-174.1	-20.6	32.8	0	0	0	114.3	H384 L386 T387 H425 Q431	H384-P427 HydrophobicContact CB-CB 3.77Å; H384-P427 HydrophobicContact CB-CG 4.15Å; L386-P427 VanDerWaalsContact O-CA 3.24Å; L386-P427 WeakPolarHBondContact O-CA 3.24Å; L386-P427 WeakPolarHBondContact O-CB 3.44Å; T387-P427 HydrophobicContact CG2-CG 4.46Å; H425-P427 VanDerWaalsContact O-CD 3.28Å; H425-P427 WeakPolarHBondContact O-CD 3.03Å; P427-Q431 WeakPolarHBondContact O-CB 3.45Å; P427-Q431 WeakPolarHBondContact O-CG 3.44Å; P427-Q431 PolarHBondContact O-N 3.07Å
428	L	95.5	Very high	96.4	Very high	78 Å²	78	47 Å²	47	41%	0.408	23%	0.232	S	C	.	.	H	α-helix	trans	-75.4	-39	-179.9	-65.6	177.5	0	0	0	110.3	D426 Q431 D432 W478	D426-L428 VanDerWaalsContact C-N 3.31Å; D426-L428 PolarHBondContact O-N 3.48Å; D426-L428 WeakPolarHBondContact OD1-CB 3.16Å; D426-L428 PolarHBondContact OD1-N 2.87Å; L428-Q431 PolarHBondContact O-N 3.38Å; L428-D432 WeakPolarHBondContact O-CB 3.47Å; L428-D432 PolarHBondContact O-N 3.45Å; L428-W478 HydrophobicContact CD2-CB 4.04Å
429	L	96.4	Very high	96.5	Very high	54 Å²	54	46.2 Å²	46.2	28%	0.283	23%	0.23	S	C	.	.	H	α-helix	trans	-67.6	-35.8	174.3	-64.2	178.4	0	0	0	112.2	L423 D426 A433	L423-L429 HydrophobicContact CB-CD1 3.7Å; L423-L429 HydrophobicContact CD1-CD1 3.68Å; L423-L429 HydrophobicContact CG-CD1 4.33Å; D426-L429 HydrophobicContact CB-CB 4.01Å; D426-L429 HydrophobicContact CB-CD1 3.85Å; D426-L429 HydrophobicContact CB-CG 3.98Å; D426-L429 PolarHBondContact O-N 3.38Å; D426-L429 PolarHBondContact OD1-N 2.74Å; L429-A433 WeakPolarHBondContact O-CB 3.47Å; L429-A433 PolarHBondContact O-N 2.91Å
430	L	97.3	Very high	96.6	Very high	3 Å²	3	45.3 Å²	45.3	2%	0.016	23%	0.226	C	C	.	.	H	α-helix	trans	-65.9	-39.5	173.1	-71.4	173.1	0	0	0	112	L386 F392 M419 D426 A433 L434	L386-L430 HydrophobicContact CB-CB 3.85Å; L386-L430 HydrophobicContact CB-CD1 4.43Å; L386-L430 HydrophobicContact CD1-CB 4.21Å; L386-L430 VanDerWaalsContact O-CD1 3.3Å; L386-L430 WeakPolarHBondContact O-CD1 3.45Å; F392-L430 HydrophobicContact CB-CB 4.4Å; F392-L430 HydrophobicContact CB-CD2 3.84Å; F392-L430 HydrophobicContact CD1-CD2 4.3Å; F392-L430 HydrophobicContact CD2-CD2 4.42Å; F392-L430 WeakPolarHBondContact CD2-O 3.42Å; F392-L430 HydrophobicContact CG-CD2 3.94Å; M419-L430 HydrophobicContact CE-CD2 4.12Å; M419-L430 HydrophobicContact SD-CD2 3.72Å; D426-L430 WeakPolarHBondContact O-CG 3.45Å; D426-L430 PolarHBondContact O-N 3.19Å; L430-A433 PolarHBondContact O-N 3.09Å; L430-L434 PolarHBondContact O-N 2.91Å
431	Q	97.1	Very high	96.8	Very high	3 Å²	3	44.1 Å²	44.1	1%	0.014	22%	0.217	C	C	.	.	H	α-helix	trans	-67.6	-43	175.5	-80.4	166.6	-151.9	0	0	112.4	F373 A383 L386 P427 L428 L434 D435 W478	F373-Q431 HydrophobicContact CE1-CG 4.22Å; F373-Q431 HydrophobicContact CZ-CG 4.28Å; A383-Q431 PolarHBondContact O-NE2 3.08Å; A383-Q431 PolarHBondContact O-OE1 3.19Å; L386-Q431 HydrophobicContact CB-CG 4.16Å; L386-Q431 HydrophobicContact CD1-CG 3.89Å; L386-Q431 HydrophobicContact CG-CG 3.91Å; P427-Q431 WeakPolarHBondContact O-CB 3.45Å; P427-Q431 WeakPolarHBondContact O-CG 3.44Å; P427-Q431 PolarHBondContact O-N 3.07Å; L428-Q431 PolarHBondContact O-N 3.38Å; Q431-L434 PolarHBondContact O-N 3.34Å; Q431-D435 PolarHBondContact O-N 2.69Å; Q431-W478 HydrophobicContact CB-CE3 4.47Å; Q431-W478 HydrophobicContact CB-CZ3 4.33Å; Q431-W478 HydrophobicContact CG-CZ3 4.38Å
432	D	97.2	Very high	97	Very high	60 Å²	60	37.7 Å²	37.7	32%	0.321	19%	0.192	S	C	.	.	H	α-helix	trans	-62.6	-44	173.1	-178.3	67.8	0	0	0	110.8	L428 L434 D435 K436	L428-D432 WeakPolarHBondContact O-CB 3.47Å; L428-D432 PolarHBondContact O-N 3.45Å; D432-L434 VanDerWaalsContact C-N 3.26Å; D432-L434 PolarHBondContact O-N 2.97Å; D432-D435 PolarHBondContact O-N 2.96Å; D432-K436 VanDerWaalsContact O-CB 3.31Å; D432-K436 WeakPolarHBondContact O-CB 3.36Å; D432-K436 VanDerWaalsContact O-CG 3.25Å; D432-K436 WeakPolarHBondContact O-CG 3.18Å; D432-K436 PolarHBondContact O-N 3.48Å; D432-K436 IonicContact OD1-NZ 3.83Å; D432-K436 PolarHBondContact OD1-NZ 2.94Å
433	A	97.9	Very high	97.2	Very high	6 Å²	6	29.4 Å²	29.4	5%	0.05	15%	0.154	C	C	.	.	H	α-helix	trans	-58.4	-39.7	175.9	0	0	0	0	0	112.1	F392 Y418 L429 L430 K436 A437	F392-A433 HydrophobicContact CE2-CB 3.8Å; F392-A433 HydrophobicContact CZ-CB 4.17Å; Y418-A433 VanDerWaalsContact O-CB 3.3Å; Y418-A433 WeakPolarHBondContact O-CB 3.47Å; L429-A433 WeakPolarHBondContact O-CB 3.47Å; L429-A433 PolarHBondContact O-N 2.91Å; L430-A433 PolarHBondContact O-N 3.09Å; A433-K436 PolarHBondContact O-N 2.86Å; A433-A437 WeakPolarHBondContact O-CB 3.28Å; A433-A437 PolarHBondContact O-N 3.29Å
434	L	98.1	Very high	97.4	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-65.4	-50.3	176.1	-173.3	67.2	0	0	0	110.9	I365 F373 L386 F392 A395 V396 L399 L430 Q431 D432 K436 A437 L438	I365-L434 HydrophobicContact CD1-CD2 4.27Å; I365-L434 HydrophobicContact CD1-CG 3.94Å; I365-L434 HydrophobicContact CG2-CD2 3.77Å; F373-L434 HydrophobicContact CE2-CD2 3.79Å; F373-L434 HydrophobicContact CZ-CD2 3.93Å; L386-L434 HydrophobicContact CD1-CB 4.13Å; L386-L434 HydrophobicContact CD1-CD2 3.97Å; F392-L434 HydrophobicContact CD2-CB 4.14Å; F392-L434 HydrophobicContact CD2-CD1 4.46Å; F392-L434 HydrophobicContact CE2-CB 4.12Å; F392-L434 HydrophobicContact CE2-CD1 4.41Å; A395-L434 HydrophobicContact CB-CD1 3.85Å; A395-L434 HydrophobicContact CB-CD2 3.69Å; A395-L434 HydrophobicContact CB-CG 4.45Å; V396-L434 HydrophobicContact CB-CD1 4.48Å; V396-L434 HydrophobicContact CG2-CD1 3.59Å; L399-L434 HydrophobicContact CD1-CD1 4.09Å; L399-L434 HydrophobicContact CD1-CD2 4.27Å; L399-L434 HydrophobicContact CD1-CG 4.43Å; L430-L434 PolarHBondContact O-N 2.91Å; Q431-L434 PolarHBondContact O-N 3.34Å; D432-L434 VanDerWaalsContact C-N 3.26Å; D432-L434 PolarHBondContact O-N 2.97Å; L434-K436 VanDerWaalsContact C-N 3.28Å; L434-K436 PolarHBondContact O-N 2.92Å; L434-A437 PolarHBondContact O-N 2.82Å; L434-L438 HydrophobicContact CD1-CD2 3.72Å; L434-L438 HydrophobicContact CG-CD2 4.23Å; L434-L438 WeakPolarHBondContact O-CD2 3.46Å; L434-L438 PolarHBondContact O-N 2.72Å
435	D	98.4	Very high	97.6	Very high	3 Å²	3	23.8 Å²	23.8	2%	0.016	12%	0.122	C	C	.	.	H	α-helix	trans	-55.9	-44.6	175.6	168.4	73.2	0	0	0	111.8	E359 E360 S361 I362 Q431 D432 G439	E359-D435 VanDerWaalsContact C-OD1 3.3Å; E359-D435 VanDerWaalsContact CA-OD2 3.31Å; E359-D435 WeakPolarHBondContact CA-OD2 3.44Å; E360-D435 PolarHBondContact N-OD1 2.93Å; S361-D435 PolarHBondContact N-OD1 3.37Å; S361-D435 VanDerWaalsContact OG-CA 3.27Å; S361-D435 WeakPolarHBondContact OG-CA 3.13Å; S361-D435 PolarHBondContact OG-O 3.28Å; S361-D435 PolarHBondContact OG-OD1 3.21Å; I362-D435 HydrophobicContact CB-CB 4.09Å; I362-D435 HydrophobicContact CD1-CB 4.47Å; I362-D435 PolarHBondContact N-OD1 3.5Å; Q431-D435 PolarHBondContact O-N 2.69Å; D432-D435 PolarHBondContact O-N 2.96Å; D435-G439 WeakPolarHBondContact O-CA 3.19Å; D435-G439 PolarHBondContact O-N 3.33Å
436	K	98.5	Very high	97.7	Very high	12 Å²	12	17.8 Å²	17.8	5%	0.052	10%	0.096	C	C	.	.	H	α-helix	trans	-69.4	-37.1	-178.1	-71.6	-44.4	175	-76.5	0	112.5	R358 E359 Y418 D432 A433 L434 D440	R358-K436 WeakPolarHBondContact O-CE 3.44Å; R358-K436 PolarHBondContact O-NZ 2.92Å; E359-K436 IonicContact OE1-NZ 3.7Å; E359-K436 PolarHBondContact OE1-NZ 2.88Å; Y418-K436 HydrophobicContact CD1-CB 4.08Å; Y418-K436 HydrophobicContact CE1-CB 3.93Å; Y418-K436 WeakPolarHBondContact CE1-O 3.28Å; D432-K436 VanDerWaalsContact O-CB 3.31Å; D432-K436 WeakPolarHBondContact O-CB 3.36Å; D432-K436 VanDerWaalsContact O-CG 3.25Å; D432-K436 WeakPolarHBondContact O-CG 3.18Å; D432-K436 PolarHBondContact O-N 3.48Å; D432-K436 IonicContact OD1-NZ 3.83Å; D432-K436 PolarHBondContact OD1-NZ 2.94Å; A433-K436 PolarHBondContact O-N 2.86Å; L434-K436 VanDerWaalsContact C-N 3.28Å; L434-K436 PolarHBondContact O-N 2.92Å; K436-D440 WeakPolarHBondContact O-CB 3.37Å; K436-D440 PolarHBondContact O-N 3.44Å; K436-D440 VanDerWaalsContact O-OD2 3.09Å
437	A	98.2	Very high	97.8	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.008	8%	0.08	C	C	.	.	H	α-helix	trans	-61.1	-46.6	178.1	0	0	0	0	0	112	Y418 A433 L434 W570	Y418-A437 HydrophobicContact CD1-CB 3.8Å; Y418-A437 HydrophobicContact CD2-CB 3.76Å; Y418-A437 HydrophobicContact CE1-CB 4.05Å; Y418-A437 VanDerWaalsContact CE1-N 3.32Å; Y418-A437 HydrophobicContact CE2-CB 4Å; Y418-A437 HydrophobicContact CG-CB 3.67Å; Y418-A437 VanDerWaalsContact CZ-CA 3.46Å; A433-A437 WeakPolarHBondContact O-CB 3.28Å; A433-A437 PolarHBondContact O-N 3.29Å; L434-A437 PolarHBondContact O-N 2.82Å; A437-W570 WeakPolarHBondContact O-CZ2 3.26Å
438	L	98.2	Very high	97.8	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-82.9	-38.6	-178.5	-73.2	-45.3	0	0	0	111.8	F320 S361 I365 L399 L400 L434 D440 Y441 H442	F320-L438 HydrophobicContact CD1-CD1 4.1Å; F320-L438 HydrophobicContact CD1-CG 4.26Å; F320-L438 HydrophobicContact CE1-CB 3.81Å; F320-L438 HydrophobicContact CE1-CD1 4.08Å; F320-L438 HydrophobicContact CE1-CG 3.82Å; F320-L438 HydrophobicContact CZ-CB 4.36Å; F320-L438 HydrophobicContact CZ-CG 4.47Å; S361-L438 WeakPolarHBondContact OG-CB 3.43Å; I365-L438 HydrophobicContact CD1-CB 4.38Å; I365-L438 HydrophobicContact CD1-CD2 4.46Å; L399-L438 HydrophobicContact CB-CD1 4.12Å; L399-L438 HydrophobicContact CB-CD2 4.32Å; L399-L438 HydrophobicContact CB-CG 4.19Å; L399-L438 HydrophobicContact CD1-CD2 4.27Å; L400-L438 HydrophobicContact CD2-CD1 4.4Å; L434-L438 HydrophobicContact CD1-CD2 3.72Å; L434-L438 HydrophobicContact CG-CD2 4.23Å; L434-L438 WeakPolarHBondContact O-CD2 3.46Å; L434-L438 PolarHBondContact O-N 2.72Å; L438-D440 VanDerWaalsContact C-N 3.32Å; L438-D440 PolarHBondContact O-N 3.16Å; L438-Y441 PolarHBondContact O-N 3.13Å; L438-H442 WeakPolarHBondContact O-CB 2.99Å; L438-H442 PolarHBondContact O-CD2 3.07Å; L438-H442 PolarHBondContact O-N 3.19Å
439	G	98.5	Very high	97.8	Very high	3 Å²	3	11.7 Å²	11.7	3%	0.031	6%	0.062	C	C	.	.	H	α-helix	trans	-62.4	-38.5	178.5	0	0	0	0	0	112.8	S361 D435 F443 H444	S361-G439 PolarHBondContact OG-N 3.27Å; D435-G439 WeakPolarHBondContact O-CA 3.19Å; D435-G439 PolarHBondContact O-N 3.33Å; G439-F443 WeakPolarHBondContact O-CA 3.44Å; G439-F443 WeakPolarHBondContact O-CB 3.41Å; G439-F443 PolarHBondContact O-N 3.43Å; G439-H444 PolarHBondContact O-N 3.21Å
440	D	98.7	Very high	97.9	Very high	2 Å²	2	9.1 Å²	9.1	1%	0.011	5%	0.049	C	C	.	.	I	π-helix	trans	-63	-50.3	174.1	-77.5	-24.1	0	0	0	112.8	Y418 K436 L438 C445 R563 Q566	Y418-D440 WeakPolarHBondContact CE1-OD2 3.45Å; Y418-D440 VanDerWaalsContact OH-CB 3.27Å; Y418-D440 WeakPolarHBondContact OH-CB 3.38Å; Y418-D440 PolarHBondContact OH-OD2 3.34Å; K436-D440 WeakPolarHBondContact O-CB 3.37Å; K436-D440 PolarHBondContact O-N 3.44Å; K436-D440 VanDerWaalsContact O-OD2 3.09Å; L438-D440 VanDerWaalsContact C-N 3.32Å; L438-D440 PolarHBondContact O-N 3.16Å; D440-C445 WeakPolarHBondContact O-CB 3.42Å; D440-C445 PolarHBondContact O-N 2.56Å; D440-C445 PolarHBondContact O-SG 2.87Å; D440-R563 VanDerWaalsContact CG-NE 3.26Å; D440-R563 VanDerWaalsContact OD1-CD 3.28Å; D440-R563 WeakPolarHBondContact OD1-CD 3.28Å; D440-R563 IonicContact OD1-CZ 3.39Å; D440-R563 IonicContact OD1-NE 3.18Å; D440-R563 PolarHBondContact OD1-NE 2.87Å; D440-R563 IonicContact OD1-NH2 3.92Å; D440-R563 IonicContact OD2-CZ 3.41Å; D440-R563 VanDerWaalsContact OD2-CZ 3.31Å; D440-R563 IonicContact OD2-NE 2.68Å; D440-R563 PolarHBondContact OD2-NE 3.2Å; D440-R563 VanDerWaalsContact OD2-NE 3.16Å; D440-R563 IonicContact OD2-NH2 2.92Å; D440-R563 PolarHBondContact OD2-NH2 3.31Å; D440-Q566 WeakPolarHBondContact OD2-CB 3.17Å
441	Y	97.9	Very high	97.9	Very high	30 Å²	30	9 Å²	9	12%	0.118	5%	0.048	C	C	.	.	I	π-helix	trans	-67	-43.5	-175.6	179.3	-115.6	0	0	0	111.8	P262 P401 Y404 L438 W570	P262-Y441 HydrophobicContact CB-CE1 3.92Å; P262-Y441 VanDerWaalsContact CD-O 3.29Å; P262-Y441 WeakPolarHBondContact CD-O 3.34Å; P262-Y441 HydrophobicContact CG-CD1 4.14Å; P262-Y441 HydrophobicContact CG-CD2 4.24Å; P262-Y441 HydrophobicContact CG-CE1 3.64Å; P262-Y441 HydrophobicContact CG-CE2 3.77Å; P262-Y441 HydrophobicContact CG-CG 4.41Å; P262-Y441 VanDerWaalsContact CG-CZ 3.43Å; P262-Y441 WeakPolarHBondContact CG-O 3.44Å; P401-Y441 HydrophobicContact CG-CD1 4.44Å; P401-Y441 HydrophobicContact CG-CE1 3.57Å; Y404-Y441 AromaticContact CE2-CE2 3.89Å; Y404-Y441 HydrophobicContact CE2-CE2 3.89Å; Y404-Y441 AromaticContact CE2-CZ 3.81Å; L438-Y441 PolarHBondContact O-N 3.13Å; Y441-W570 AromaticContact CD2-CD2 3.79Å; Y441-W570 HydrophobicContact CD2-CD2 3.79Å; Y441-W570 AromaticContact CD2-CE3 3.48Å; Y441-W570 HydrophobicContact CD2-CE3 3.48Å; Y441-W570 VanDerWaalsContact CD2-CE3 3.48Å; Y441-W570 HydrophobicContact CD2-CG 4.28Å; Y441-W570 AromaticContact CD2-CZ3 3.91Å; Y441-W570 HydrophobicContact CD2-CZ3 3.91Å; Y441-W570 HydrophobicContact CE2-CE3 4.15Å; Y441-W570 HydrophobicContact CE2-CZ3 4.45Å; Y441-W570 HydrophobicContact CG-CD2 4.22Å; Y441-W570 HydrophobicContact CG-CE3 4.1Å; Y441-W570 HydrophobicContact CG-CH2 4.44Å; Y441-W570 HydrophobicContact CG-CZ3 4.22Å
442	H	98.2	Very high	97.8	Very high	7 Å²	7	11.3 Å²	11.3	3%	0.032	6%	0.056	C	C	.	.	I	π-helix	trans	-87.2	-26.7	-174.2	-69.9	-86.3	0	0	0	113.8	A261 W263 F320 L321 L438	A261-H442 WeakPolarHBondContact CB-O 3.25Å; W263-H442 AromaticContact CD1-ND1 3.7Å; W263-H442 PolarHBondContact NE1-O 3.25Å; F320-H442 AromaticContact CD1-CD2 4Å; F320-H442 AromaticContact CD1-NE2 3.46Å; F320-H442 WeakPolarHBondContact CD1-NE2 3.48Å; F320-H442 AromaticContact CE1-CD2 3.73Å; F320-H442 AromaticContact CE1-NE2 3.7Å; L321-H442 HydrophobicContact CD1-CB 3.72Å; L438-H442 WeakPolarHBondContact O-CB 2.99Å; L438-H442 PolarHBondContact O-CD2 3.07Å; L438-H442 PolarHBondContact O-N 3.19Å
443	F	98.7	Very high	97.7	Very high	2 Å²	2	9.5 Å²	9.5	1%	0.009	5%	0.046	C	C	.	.	I	π-helix	trans	-131.7	-70.5	-171.7	-57.3	-77.4	0	0	0	112.7	S256 W263 L321 E360 F364 G439 C445 G446 V447 H483	S256-F443 VanDerWaalsContact O-CD1 3.28Å; S256-F443 WeakPolarHBondContact O-CD1 3.5Å; W263-F443 AromaticContact CE2-CE1 3.7Å; W263-F443 AromaticContact CZ2-CD1 3.86Å; W263-F443 HydrophobicContact CZ2-CD1 3.86Å; W263-F443 AromaticContact CZ2-CE1 3.57Å; W263-F443 HydrophobicContact CZ2-CE1 3.57Å; W263-F443 AromaticContact NE1-CD1 3.84Å; W263-F443 AromaticContact NE1-CE1 3.53Å; W263-F443 AromaticContact NE1-CZ 3.96Å; L321-F443 HydrophobicContact CD1-CE2 3.67Å; L321-F443 HydrophobicContact CD1-CZ 3.83Å; E360-F443 HydrophobicContact CB-CB 3.93Å; E360-F443 HydrophobicContact CB-CD2 3.71Å; E360-F443 HydrophobicContact CB-CG 4.04Å; E360-F443 HydrophobicContact CG-CB 3.9Å; E360-F443 HydrophobicContact CG-CG 4.45Å; F364-F443 HydrophobicContact CD2-CE2 4.01Å; F364-F443 HydrophobicContact CD2-CZ 4.08Å; F364-F443 HydrophobicContact CE2-CE1 4.42Å; F364-F443 AromaticContact CE2-CE2 3.69Å; F364-F443 HydrophobicContact CE2-CE2 3.69Å; F364-F443 AromaticContact CE2-CZ 3.41Å; F364-F443 HydrophobicContact CE2-CZ 3.41Å; F364-F443 VanDerWaalsContact CE2-CZ 3.41Å; F364-F443 AromaticContact CZ-CZ 3.9Å; F364-F443 HydrophobicContact CZ-CZ 3.9Å; G439-F443 WeakPolarHBondContact O-CA 3.44Å; G439-F443 WeakPolarHBondContact O-CB 3.41Å; G439-F443 PolarHBondContact O-N 3.43Å; F443-C445 VanDerWaalsContact C-N 3.3Å; F443-C445 PolarHBondContact O-N 3.39Å; F443-C445 VanDerWaalsContact O-N 3.14Å; F443-G446 PolarHBondContact O-N 3.16Å; F443-G446 VanDerWaalsContact O-N 3.14Å; F443-V447 PolarHBondContact O-N 3.07Å; F443-H483 AromaticContact CD1-CE1 3.42Å; F443-H483 VanDerWaalsContact CD1-CE1 3.42Å; F443-H483 WeakPolarHBondContact CD1-CE1 2.92Å; F443-H483 AromaticContact CE1-CE1 3.21Å; F443-H483 WeakPolarHBondContact CE1-CE1 3.48Å; F443-H483 AromaticContact CE1-ND1 3.94Å; F443-H483 AromaticContact CE1-NE2 3.66Å; F443-H483 AromaticContact CZ-CE1 3.8Å
444	H	98.4	Very high	97.7	Very high	7 Å²	7	9.2 Å²	9.2	3%	0.032	4%	0.044	C	C	.	.	I	π-helix	trans	-56.1	-43.1	-164.8	-174.1	98.4	0	0	0	113.1	N356 G439 T448 A562	N356-H444 PolarHBondContact ND2-ND1 3.09Å; N356-H444 WeakPolarHBondContact OD1-CA 3.47Å; G439-H444 PolarHBondContact O-N 3.21Å; H444-T448 WeakPolarHBondContact O-CB 3.42Å; H444-T448 PolarHBondContact O-N 3.42Å; H444-T448 PolarHBondContact O-OG1 3.16Å; H444-A562 PolarHBondContact NE2-O 3.1Å
445	C	98.3	Very high	97.5	Very high	9 Å²	9	11.6 Å²	11.6	6%	0.061	6%	0.055	C	C	.	.	H	α-helix	trans	-77.2	-33.1	-175.5	-61.6	0	0	0	0	113.6	D440 F443 T448 E449 C567	D440-C445 WeakPolarHBondContact O-CB 3.42Å; D440-C445 PolarHBondContact O-N 2.56Å; D440-C445 PolarHBondContact O-SG 2.87Å; F443-C445 VanDerWaalsContact C-N 3.3Å; F443-C445 PolarHBondContact O-N 3.39Å; F443-C445 VanDerWaalsContact O-N 3.14Å; C445-T448 PolarHBondContact O-N 3.15Å; C445-E449 WeakPolarHBondContact O-CB 3.4Å; C445-E449 PolarHBondContact O-N 3.37Å; C445-C567 WeakPolarHBondContact CA-SG 3.4Å; C445-C567 HydrophobicContact CB-CB 3.66Å; C445-C567 WeakPolarHBondContact CB-SG 3.38Å; C445-C567 WeakPolarHBondContact SG-CA 3.38Å; C445-C567 WeakPolarHBondContact SG-CB 3.5Å; C445-C567 CovalentContact SG-SG 2.06Å; C445-C567 PolarHBondContact SG-SG 3.22Å
446	G	97.4	Very high	97.4	Very high	5 Å²	5	16.9 Å²	16.9	5%	0.052	8%	0.08	C	C	.	.	H	α-helix	trans	-63.1	-46.6	173.3	0	0	0	0	0	111.4	S258 I260 F443 E449 F450	S258-G446 PolarHBondContact OG-O 3.17Å; I260-G446 WeakPolarHBondContact CD1-O 3.41Å; F443-G446 PolarHBondContact O-N 3.16Å; F443-G446 VanDerWaalsContact O-N 3.14Å; G446-E449 PolarHBondContact O-N 3.3Å; G446-F450 WeakPolarHBondContact O-CB 3.49Å; G446-F450 PolarHBondContact O-N 2.88Å
447	V	98.3	Very high	97.2	Very high	0 Å²	0	20 Å²	20	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-62.5	-46.6	177	177.3	0	0	0	0	111.4	G257 V354 N356 F443 E449 F450 A451	G257-V447 VanDerWaalsContact N-CG2 3.35Å; V354-V447 HydrophobicContact CB-CG1 3.74Å; V354-V447 HydrophobicContact CG1-CG1 4.49Å; V354-V447 HydrophobicContact CG2-CG1 4.11Å; N356-V447 WeakPolarHBondContact OD1-CB 3.19Å; N356-V447 VanDerWaalsContact OD1-CG2 3.3Å; N356-V447 WeakPolarHBondContact OD1-CG2 3.45Å; F443-V447 PolarHBondContact O-N 3.07Å; V447-E449 PolarHBondContact O-N 2.96Å; V447-F450 PolarHBondContact O-N 2.82Å; V447-A451 WeakPolarHBondContact O-CB 3.43Å; V447-A451 PolarHBondContact O-N 3.14Å
448	T	96.8	Very high	97.1	Very high	10 Å²	10	23 Å²	23	6%	0.061	12%	0.123	C	C	.	.	H	α-helix	trans	-64.6	-39.8	-179.5	-56.7	0	0	0	0	111.8	H444 C445 A451 R452 Y542	H444-T448 WeakPolarHBondContact O-CB 3.42Å; H444-T448 PolarHBondContact O-N 3.42Å; H444-T448 PolarHBondContact O-OG1 3.16Å; C445-T448 PolarHBondContact O-N 3.15Å; T448-A451 PolarHBondContact O-N 2.78Å; T448-R452 WeakPolarHBondContact O-CB 3.41Å; T448-R452 PolarHBondContact O-N 3.22Å; T448-Y542 WeakPolarHBondContact CG2-OH 3.48Å
449	E	95.9	Very high	97	Very high	29 Å²	29	24 Å²	24	14%	0.136	13%	0.132	C	C	.	.	H	α-helix	trans	-67.2	-42.9	177.1	179.9	173	-165	0	0	111.5	I260 R339 C445 G446 V447 A451 R452 M453	I260-E449 HydrophobicContact CD1-CB 3.72Å; I260-E449 HydrophobicContact CD1-CG 3.63Å; R339-E449 IonicContact CZ-OE1 3.22Å; R339-E449 IonicContact CZ-OE2 3.79Å; R339-E449 VanDerWaalsContact CZ-OE2 3.28Å; R339-E449 IonicContact NH1-OE1 2.72Å; R339-E449 PolarHBondContact NH1-OE1 2.85Å; R339-E449 IonicContact NH1-OE2 3.6Å; R339-E449 PolarHBondContact NH1-OE2 2.75Å; R339-E449 IonicContact NH2-OE1 2.82Å; R339-E449 IonicContact NH2-OE2 2.6Å; R339-E449 PolarHBondContact NH2-OE2 3.03Å; C445-E449 WeakPolarHBondContact O-CB 3.4Å; C445-E449 PolarHBondContact O-N 3.37Å; G446-E449 PolarHBondContact O-N 3.3Å; V447-E449 PolarHBondContact O-N 2.96Å; E449-A451 VanDerWaalsContact C-N 3.32Å; E449-A451 PolarHBondContact O-N 2.81Å; E449-R452 PolarHBondContact O-N 2.76Å; E449-M453 WeakPolarHBondContact O-CG 3.27Å; E449-M453 PolarHBondContact O-N 3.42Å
450	F	97.3	Very high	96.9	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-58.5	-44.9	174.9	-160.8	-80.8	0	0	0	111.4	L240 L241 L254 I260 L342 L352 G446 V447 R452 M453 Y454	L240-F450 HydrophobicContact CD1-CE1 3.9Å; L240-F450 HydrophobicContact CD1-CZ 4.05Å; L241-F450 HydrophobicContact CD1-CE2 4.39Å; L254-F450 HydrophobicContact CD1-CD1 3.61Å; L254-F450 HydrophobicContact CD1-CE1 3.7Å; L254-F450 HydrophobicContact CD1-CG 4.31Å; L254-F450 HydrophobicContact CD1-CZ 4.47Å; I260-F450 HydrophobicContact CD1-CB 4.36Å; L342-F450 HydrophobicContact CD1-CD2 3.67Å; L342-F450 HydrophobicContact CD1-CE2 3.93Å; L342-F450 HydrophobicContact CD1-CG 4.48Å; L342-F450 HydrophobicContact CD2-CD2 4.13Å; L342-F450 HydrophobicContact CD2-CE2 3.81Å; L342-F450 HydrophobicContact CD2-CZ 4.08Å; L342-F450 HydrophobicContact CG-CD2 4.48Å; L342-F450 HydrophobicContact CG-CE2 4.32Å; L352-F450 HydrophobicContact CD2-CD1 3.93Å; L352-F450 HydrophobicContact CD2-CE1 4.09Å; G446-F450 WeakPolarHBondContact O-CB 3.49Å; G446-F450 PolarHBondContact O-N 2.88Å; V447-F450 PolarHBondContact O-N 2.82Å; F450-R452 PolarHBondContact O-N 2.92Å; F450-M453 PolarHBondContact O-N 3.31Å; F450-Y454 AromaticContact CD1-CD2 3.94Å; F450-Y454 HydrophobicContact CD1-CD2 3.94Å; F450-Y454 HydrophobicContact CD1-CE2 4.11Å; F450-Y454 AromaticContact CE1-CD2 3.6Å; F450-Y454 HydrophobicContact CE1-CD2 3.6Å; F450-Y454 AromaticContact CE1-CE2 3.29Å; F450-Y454 HydrophobicContact CE1-CE2 3.29Å; F450-Y454 HydrophobicContact CZ-CD2 4.37Å; F450-Y454 AromaticContact CZ-CE2 3.76Å; F450-Y454 HydrophobicContact CZ-CE2 3.76Å; F450-Y454 PolarHBondContact O-N 3.27Å; F450-Y454 VanDerWaalsContact O-N 3.08Å
451	A	97.3	Very high	96.9	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-60.4	-43.9	175.6	0	0	0	0	0	112.6	V354 V447 T448 E449 M453 Y454 Q455 V461 Y542	V354-A451 HydrophobicContact CG1-CB 4.45Å; V354-A451 HydrophobicContact CG2-CB 3.8Å; V447-A451 WeakPolarHBondContact O-CB 3.43Å; V447-A451 PolarHBondContact O-N 3.14Å; T448-A451 PolarHBondContact O-N 2.78Å; E449-A451 VanDerWaalsContact C-N 3.32Å; E449-A451 PolarHBondContact O-N 2.81Å; A451-M453 PolarHBondContact O-N 2.71Å; A451-Y454 PolarHBondContact O-N 3.42Å; A451-Q455 WeakPolarHBondContact O-CB 3.21Å; A451-Q455 PolarHBondContact O-N 2.65Å; A451-V461 HydrophobicContact CB-CG1 4.04Å; A451-Y542 HydrophobicContact CB-CD1 4.49Å; A451-Y542 HydrophobicContact CB-CE1 4.16Å
452	R	95.8	Very high	96.9	Very high	52 Å²	52	26 Å²	26	20%	0.196	15%	0.145	C	C	.	.	H	α-helix	trans	-62.4	-42	177.2	-168.6	-173.8	-64.2	132.9	0.2	111.5	T448 E449 F450 Q455 Q456 E546	T448-R452 WeakPolarHBondContact O-CB 3.41Å; T448-R452 PolarHBondContact O-N 3.22Å; E449-R452 PolarHBondContact O-N 2.76Å; F450-R452 PolarHBondContact O-N 2.92Å; R452-Q455 PolarHBondContact O-N 2.78Å; R452-Q456 WeakPolarHBondContact O-CB 3.29Å; R452-Q456 VanDerWaalsContact O-CG 3.28Å; R452-Q456 WeakPolarHBondContact O-CG 3.2Å; R452-Q456 PolarHBondContact O-N 2.76Å; R452-E546 IonicContact CZ-OE1 2.71Å; R452-E546 IonicContact NE-OE1 2.82Å; R452-E546 PolarHBondContact NE-OE1 3.43Å; R452-E546 IonicContact NH2-OE1 3.63Å; R452-E546 PolarHBondContact NH2-OE1 2.96Å; R452-E546 IonicContact NH2-OE2 3.76Å
453	M	95.4	Very high	97	Very high	21 Å²	21	26.2 Å²	26.2	10%	0.103	15%	0.147	C	C	.	.	H	α-helix	trans	-63.2	-46	177.2	-68	-59	125.3	0	0	111.5	L342 E449 F450 A451 Q455 Q456 Y457	L342-M453 HydrophobicContact CB-CB 4.25Å; L342-M453 HydrophobicContact CB-CG 4.14Å; L342-M453 HydrophobicContact CD2-CB 4.18Å; E449-M453 WeakPolarHBondContact O-CG 3.27Å; E449-M453 PolarHBondContact O-N 3.42Å; F450-M453 PolarHBondContact O-N 3.31Å; A451-M453 PolarHBondContact O-N 2.71Å; M453-Q455 VanDerWaalsContact C-N 3.32Å; M453-Q455 PolarHBondContact O-N 3.48Å; M453-Q456 PolarHBondContact O-N 3.42Å; M453-Y457 WeakPolarHBondContact O-CD2 3.4Å; M453-Y457 PolarHBondContact O-N 3.48Å
454	Y	96.7	Very high	96.9	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-57.1	-45.8	174	-99.4	-112.2	0	0	0	112.4	L240 L342 F347 K348 L352 F450 A451 Q456 Y457 G458 A459	L240-Y454 WeakPolarHBondContact CB-OH 3.32Å; L240-Y454 HydrophobicContact CD1-CE2 4.48Å; L240-Y454 WeakPolarHBondContact CD2-OH 3.42Å; L342-Y454 HydrophobicContact CD2-CE2 4.36Å; F347-Y454 HydrophobicContact CD2-CD2 4.17Å; F347-Y454 HydrophobicContact CD2-CE1 4.08Å; F347-Y454 AromaticContact CD2-CE2 3.48Å; F347-Y454 HydrophobicContact CD2-CE2 3.48Å; F347-Y454 VanDerWaalsContact CD2-CE2 3.48Å; F347-Y454 AromaticContact CD2-CZ 3.4Å; F347-Y454 WeakPolarHBondContact CD2-OH 3.36Å; F347-Y454 HydrophobicContact CE2-CD1 4.29Å; F347-Y454 AromaticContact CE2-CD2 3.87Å; F347-Y454 HydrophobicContact CE2-CD2 3.87Å; F347-Y454 HydrophobicContact CE2-CE1 4.11Å; F347-Y454 AromaticContact CE2-CE2 3.67Å; F347-Y454 HydrophobicContact CE2-CE2 3.67Å; F347-Y454 HydrophobicContact CE2-CG 4.15Å; F347-Y454 AromaticContact CE2-CZ 3.77Å; F347-Y454 AromaticContact CG-CE2 3.98Å; F347-Y454 HydrophobicContact CG-CE2 3.98Å; F347-Y454 HydrophobicContact CZ-CD2 4.22Å; F347-Y454 HydrophobicContact CZ-CE2 4.29Å; K348-Y454 PolarHBondContact O-OH 2.93Å; L352-Y454 HydrophobicContact CB-CD1 3.94Å; L352-Y454 HydrophobicContact CB-CE1 4.35Å; L352-Y454 HydrophobicContact CD2-CD1 3.83Å; L352-Y454 HydrophobicContact CD2-CD2 4.05Å; L352-Y454 HydrophobicContact CD2-CE1 4.35Å; L352-Y454 HydrophobicContact CD2-CG 3.68Å; L352-Y454 HydrophobicContact CG-CD1 4.43Å; F450-Y454 AromaticContact CD1-CD2 3.94Å; F450-Y454 HydrophobicContact CD1-CD2 3.94Å; F450-Y454 HydrophobicContact CD1-CE2 4.11Å; F450-Y454 AromaticContact CE1-CD2 3.6Å; F450-Y454 HydrophobicContact CE1-CD2 3.6Å; F450-Y454 AromaticContact CE1-CE2 3.29Å; F450-Y454 HydrophobicContact CE1-CE2 3.29Å; F450-Y454 HydrophobicContact CZ-CD2 4.37Å; F450-Y454 AromaticContact CZ-CE2 3.76Å; F450-Y454 HydrophobicContact CZ-CE2 3.76Å; F450-Y454 PolarHBondContact O-N 3.27Å; F450-Y454 VanDerWaalsContact O-N 3.08Å; A451-Y454 PolarHBondContact O-N 3.42Å; Y454-Q456 PolarHBondContact O-N 3.34Å; Y454-Y457 PolarHBondContact O-N 3.32Å; Y454-G458 PolarHBondContact O-N 2.81Å; Y454-A459 HydrophobicContact CD1-CB 3.66Å; Y454-A459 HydrophobicContact CG-CB 4.32Å; Y454-A459 VanDerWaalsContact O-CB 3.32Å; Y454-A459 WeakPolarHBondContact O-CB 3.28Å; Y454-A459 PolarHBondContact O-N 2.74Å
455	Q	95.5	Very high	96.9	Very high	51 Å²	51	27.1 Å²	27.1	24%	0.238	15%	0.15	C	C	.	.	H	α-helix	trans	-62.4	-41.9	178.7	-171.8	-75.2	-52.5	0	0	112	A451 R452 M453 Y457 G458 V461 Y542	A451-Q455 WeakPolarHBondContact O-CB 3.21Å; A451-Q455 PolarHBondContact O-N 2.65Å; R452-Q455 PolarHBondContact O-N 2.78Å; M453-Q455 VanDerWaalsContact C-N 3.32Å; M453-Q455 PolarHBondContact O-N 3.48Å; Q455-Y457 VanDerWaalsContact C-N 3.26Å; Q455-Y457 PolarHBondContact O-N 3.35Å; Q455-G458 PolarHBondContact O-N 3.02Å; Q455-V461 HydrophobicContact CB-CG2 4.39Å; Q455-Y542 HydrophobicContact CB-CD1 4.2Å; Q455-Y542 HydrophobicContact CG-CD1 4.26Å; Q455-Y542 WeakPolarHBondContact CG-O 3.08Å
456	Q	95.1	Very high	96.9	Very high	114 Å²	114	26.7 Å²	26.7	53%	0.533	15%	0.148	S	C	.	.	H	α-helix	trans	-62.3	-33.5	178.6	-77	176.6	3	0	0	112.7	R452 M453 Y454 G458	R452-Q456 WeakPolarHBondContact O-CB 3.29Å; R452-Q456 VanDerWaalsContact O-CG 3.28Å; R452-Q456 WeakPolarHBondContact O-CG 3.2Å; R452-Q456 PolarHBondContact O-N 2.76Å; M453-Q456 PolarHBondContact O-N 3.42Å; Y454-Q456 PolarHBondContact O-N 3.34Å; Q456-G458 PolarHBondContact O-N 3.25Å
457	Y	95.7	Very high	96.9	Very high	76 Å²	76	27.6 Å²	27.6	30%	0.298	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	9.2	174.5	-79.2	-77.9	0	0	0	114.2	L342 D343 G345 F347 M453 Y454 Q455	L342-Y457 WeakPolarHBondContact O-CE2 3.36Å; D343-Y457 PolarHBondContact O-OH 3.12Å; G345-Y457 VanDerWaalsContact CA-CZ 3.44Å; G345-Y457 PolarHBondContact N-OH 2.89Å; F347-Y457 AromaticContact CE1-CD2 3.78Å; F347-Y457 HydrophobicContact CE1-CD2 3.78Å; F347-Y457 HydrophobicContact CE1-CE2 4.2Å; F347-Y457 HydrophobicContact CE1-CG 4.27Å; F347-Y457 AromaticContact CZ-CD2 3.59Å; F347-Y457 HydrophobicContact CZ-CD2 3.59Å; F347-Y457 HydrophobicContact CZ-CE2 4.45Å; F347-Y457 AromaticContact CZ-CG 3.78Å; F347-Y457 HydrophobicContact CZ-CG 3.78Å; M453-Y457 WeakPolarHBondContact O-CD2 3.4Å; M453-Y457 PolarHBondContact O-N 3.48Å; Y454-Y457 PolarHBondContact O-N 3.32Å; Q455-Y457 VanDerWaalsContact C-N 3.26Å; Q455-Y457 PolarHBondContact O-N 3.35Å
458	G	95.1	Very high	96.9	Very high	66 Å²	66	28.5 Å²	28.5	68%	0.68	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.1	12.9	172.6	0	0	0	0	0	115.1	Y454 Q455 Q456	Y454-G458 PolarHBondContact O-N 2.81Å; Q455-G458 PolarHBondContact O-N 3.02Å; Q456-G458 PolarHBondContact O-N 3.25Å
459	A	95.4	Very high	96.9	Very high	21 Å²	21	31.2 Å²	31.2	17%	0.174	17%	0.165	C	C	.	.			trans	-73.9	148.7	173.5	0	0	0	0	0	111.4	Y454 V461	Y454-A459 HydrophobicContact CD1-CB 3.66Å; Y454-A459 HydrophobicContact CG-CB 4.32Å; Y454-A459 VanDerWaalsContact O-CB 3.32Å; Y454-A459 WeakPolarHBondContact O-CB 3.28Å; Y454-A459 PolarHBondContact O-N 2.74Å; A459-V461 PolarHBondContact O-N 2.93Å
460	T	97.5	Very high	97	Very high	63 Å²	63	29.9 Å²	29.9	39%	0.387	16%	0.159	S	C	.	.			trans	-76.6	120.3	170.3	-55.5	0	0	0	0	109	E351 L352 Y462	E351-T460 WeakPolarHBondContact CA-O 3.37Å; L352-T460 PolarHBondContact N-O 3.04Å; T460-Y462 HydrophobicContact CG2-CD2 4.27Å; T460-Y462 HydrophobicContact CG2-CE2 3.52Å
461	V	98.5	Very high	96.9	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.006	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	142.3	180	-175.7	0	0	0	0	109.5	L352 V354 A451 Q455 A459 P541 Y542	L352-V461 HydrophobicContact CB-CG2 4.32Å; L352-V461 HydrophobicContact CD2-CG1 4.48Å; L352-V461 CarbonylContact O-C 3.46Å; L352-V461 VanDerWaalsContact O-CA 3.25Å; L352-V461 WeakPolarHBondContact O-CA 3.48Å; V354-V461 HydrophobicContact CG2-CG1 4.47Å; A451-V461 HydrophobicContact CB-CG1 4.04Å; Q455-V461 HydrophobicContact CB-CG2 4.39Å; A459-V461 PolarHBondContact O-N 2.93Å; V461-P541 CarbonylContact O-C 3.57Å; V461-P541 WeakPolarHBondContact O-CA 3.46Å; V461-Y542 HydrophobicContact CB-CD1 4.5Å; V461-Y542 HydrophobicContact CG1-CD1 4.37Å; V461-Y542 HydrophobicContact CG1-CG 4.27Å; V461-Y542 WeakPolarHBondContact O-CB 3.4Å; V461-Y542 PolarHBondContact O-N 3.45Å
462	Y	98.6	Very high	96.9	Very high	13 Å²	13	35.9 Å²	35.9	5%	0.051	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	136.3	168.5	-67.1	-87.2	0	0	0	108.8	L352 L353 V354 T460 F520 N525 P526 W539 P541	L352-Y462 PolarHBondContact O-N 3.49Å; L353-Y462 CarbonylContact C-O 3.52Å; L353-Y462 WeakPolarHBondContact CA-O 3.5Å; V354-Y462 PolarHBondContact N-O 3.41Å; T460-Y462 HydrophobicContact CG2-CD2 4.27Å; T460-Y462 HydrophobicContact CG2-CE2 3.52Å; Y462-F520 HydrophobicContact CD2-CD2 4.38Å; Y462-F520 HydrophobicContact CD2-CE2 4.29Å; Y462-N525 PolarHBondContact OH-ND2 3.47Å; Y462-N525 PolarHBondContact OH-OD1 2.88Å; Y462-P526 HydrophobicContact CD1-CG 3.69Å; Y462-P526 HydrophobicContact CD2-CG 4.19Å; Y462-P526 HydrophobicContact CE1-CG 3.94Å; Y462-P526 VanDerWaalsContact CE2-CD 3.44Å; Y462-P526 HydrophobicContact CE2-CG 4.39Å; Y462-P526 HydrophobicContact CG-CG 3.84Å; Y462-W539 AromaticContact CD1-CD1 3.82Å; Y462-W539 HydrophobicContact CD1-CD2 4.5Å; Y462-W539 HydrophobicContact CD1-CG 4.05Å; Y462-W539 WeakPolarHBondContact CE1-O 3.39Å; Y462-P541 HydrophobicContact CE1-CB 4.18Å
463	S	98.5	Very high	96.8	Very high	10 Å²	10	33.9 Å²	33.9	7%	0.07	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	138.5	179.2	-172.9	0	0	0	0	111	V354 W539 Y548 L549	V354-S463 CarbonylContact O-C 3.1Å; V354-S463 VanDerWaalsContact O-CA 3.22Å; V354-S463 WeakPolarHBondContact O-CA 3.27Å; S463-W539 VanDerWaalsContact C-CZ2 3.41Å; S463-W539 WeakPolarHBondContact O-CZ2 3.41Å; S463-W539 PolarHBondContact O-NE1 3.34Å; S463-Y548 CarbonylContact O-C 3.5Å; S463-Y548 WeakPolarHBondContact O-CA 2.96Å; S463-Y548 WeakPolarHBondContact O-CB 3.44Å; S463-L549 PolarHBondContact O-N 3.07Å
464	Y	98.5	Very high	96.8	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.008	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	161.9	168.3	72.6	-89.5	0	0	0	112	Q255 L353 V354 G355 N356 F466 W517 W539 L549 M551	Q255-Y464 WeakPolarHBondContact CB-OH 3.36Å; Q255-Y464 WeakPolarHBondContact CG-OH 3.36Å; L353-Y464 HydrophobicContact CD2-CD1 3.71Å; L353-Y464 HydrophobicContact CD2-CE1 3.84Å; V354-Y464 WeakPolarHBondContact O-CD1 3.06Å; V354-Y464 PolarHBondContact O-N 3.37Å; G355-Y464 VanDerWaalsContact CA-CE1 3.42Å; G355-Y464 WeakPolarHBondContact CA-O 3.31Å; N356-Y464 PolarHBondContact N-O 2.99Å; Y464-F466 HydrophobicContact CD2-CB 4.08Å; Y464-F466 HydrophobicContact CE2-CB 3.91Å; Y464-W517 AromaticContact CD1-CH2 3.71Å; Y464-W517 HydrophobicContact CD1-CH2 3.71Å; Y464-W517 HydrophobicContact CD1-CZ2 4.45Å; Y464-W517 AromaticContact CE1-CH2 3.46Å; Y464-W517 HydrophobicContact CE1-CH2 3.46Å; Y464-W517 VanDerWaalsContact CE1-CH2 3.46Å; Y464-W517 AromaticContact CE1-CZ2 3.81Å; Y464-W517 HydrophobicContact CE1-CZ2 3.81Å; Y464-W517 HydrophobicContact CG-CH2 4.44Å; Y464-W539 AromaticContact CD1-CH2 3.98Å; Y464-W539 HydrophobicContact CD1-CH2 3.98Å; Y464-W539 HydrophobicContact CD1-CZ2 4.25Å; Y464-W539 HydrophobicContact CG-CH2 4.28Å; Y464-W539 HydrophobicContact CG-CZ2 4.44Å; Y464-L549 CarbonylContact C-O 3.59Å; Y464-L549 VanDerWaalsContact CA-O 3.26Å; Y464-L549 WeakPolarHBondContact CA-O 3.2Å; Y464-M551 HydrophobicContact CD2-CB 4.46Å; Y464-M551 HydrophobicContact CD2-CG 4.15Å; Y464-M551 HydrophobicContact CG-CG 4.16Å
465	Y	98	Very high	96.8	Very high	27 Å²	27	35.5 Å²	35.5	11%	0.106	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	112	167.1	-168.6	-134.1	0	0	0	108.7	N356 N357 R358 T467 Y548 L549 M551	N356-Y465 HydrophobicContact CB-CD2 4.39Å; N356-Y465 WeakPolarHBondContact O-CA 3.16Å; N356-Y465 WeakPolarHBondContact O-CD2 3.47Å; N357-Y465 WeakPolarHBondContact O-CE2 3.35Å; R358-Y465 HydrophobicContact CG-CE1 4.19Å; R358-Y465 WeakPolarHBondContact CG-OH 3.46Å; Y465-T467 HydrophobicContact CD1-CG2 3.4Å; Y465-T467 VanDerWaalsContact CD1-CG2 3.4Å; Y465-T467 HydrophobicContact CE1-CG2 3.63Å; Y465-T467 HydrophobicContact CG-CG2 4.1Å; Y465-Y548 VanDerWaalsContact CB-CD2 3.4Å; Y465-Y548 VanDerWaalsContact CB-CE2 3.49Å; Y465-Y548 AromaticContact CD1-CE2 3.99Å; Y465-Y548 HydrophobicContact CD1-CE2 3.99Å; Y465-Y548 HydrophobicContact CG-CD2 4.44Å; Y465-Y548 HydrophobicContact CG-CE2 4.11Å; Y465-L549 PolarHBondContact N-O 3.29Å; Y465-M551 PolarHBondContact O-N 2.99Å
466	F	98.4	Very high	96.8	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	116	-178	175.6	-107.6	0	0	0	109.9	N356 N357 R358 Y464 H468 A481 E486 F489 L509 F513 M551	N356-F466 PolarHBondContact O-N 3.33Å; N357-F466 CarbonylContact C-O 3.49Å; N357-F466 HydrophobicContact CB-CD1 4.27Å; N357-F466 WeakPolarHBondContact OD1-CB 3.46Å; R358-F466 PolarHBondContact N-O 3.01Å; Y464-F466 HydrophobicContact CD2-CB 4.08Å; Y464-F466 HydrophobicContact CE2-CB 3.91Å; F466-H468 WeakPolarHBondContact CE1-O 3.4Å; F466-H468 HydrophobicContact CE2-CB 3.96Å; F466-H468 HydrophobicContact CZ-CB 4.24Å; F466-H468 WeakPolarHBondContact CZ-O 3.48Å; F466-A481 HydrophobicContact CD1-CB 4.05Å; F466-A481 HydrophobicContact CE1-CB 3.98Å; F466-E486 HydrophobicContact CB-CB 4.34Å; F466-E486 HydrophobicContact CD1-CB 3.76Å; F466-E486 HydrophobicContact CD2-CB 3.98Å; F466-E486 HydrophobicContact CE1-CB 3.93Å; F466-E486 HydrophobicContact CE2-CB 4.13Å; F466-E486 HydrophobicContact CG-CB 3.77Å; F466-E486 HydrophobicContact CZ-CB 4.09Å; F466-F489 HydrophobicContact CE2-CD2 4.04Å; F466-F489 HydrophobicContact CE2-CE2 4.12Å; F466-F489 AromaticContact CZ-CD2 3.93Å; F466-F489 HydrophobicContact CZ-CD2 3.93Å; F466-F489 AromaticContact CZ-CE2 3.73Å; F466-F489 HydrophobicContact CZ-CE2 3.73Å; F466-L509 HydrophobicContact CE2-CD2 4.23Å; F466-F513 AromaticContact CD2-CE2 3.9Å; F466-F513 HydrophobicContact CD2-CE2 3.9Å; F466-F513 AromaticContact CD2-CZ 3.63Å; F466-F513 HydrophobicContact CD2-CZ 3.63Å; F466-F513 AromaticContact CE2-CE2 3.96Å; F466-F513 HydrophobicContact CE2-CE2 3.96Å; F466-F513 HydrophobicContact CE2-CZ 4.1Å; F466-F513 HydrophobicContact CG-CZ 4.48Å; F466-M551 HydrophobicContact CD2-CB 4.24Å; F466-M551 WeakPolarHBondContact CD2-O 3.46Å
467	T	97.3	Very high	96.7	Very high	24 Å²	24	35.5 Å²	35.5	15%	0.147	20%	0.198	C	C	.	.			trans	-122	9.4	-171.8	60.7	0	0	0	0	113.4	R358 Y465 I550 M551 S552	R358-T467 HydrophobicContact CB-CG2 4.24Å; R358-T467 HydrophobicContact CG-CG2 4.28Å; Y465-T467 HydrophobicContact CD1-CG2 3.4Å; Y465-T467 VanDerWaalsContact CD1-CG2 3.4Å; Y465-T467 HydrophobicContact CE1-CG2 3.63Å; Y465-T467 HydrophobicContact CG-CG2 4.1Å; T467-I550 HydrophobicContact CG2-CG2 4.48Å; T467-M551 PolarHBondContact N-O 3.04Å; T467-S552 WeakPolarHBondContact OG1-CB 3.49Å
468	H	98.1	Very high	96.7	Very high	19 Å²	19	34 Å²	34	9%	0.088	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-100.2	118.2	-174.9	-177.5	80	0	0	0	111.7	F466 F489 E506 L509 A553	F466-H468 WeakPolarHBondContact CE1-O 3.4Å; F466-H468 HydrophobicContact CE2-CB 3.96Å; F466-H468 HydrophobicContact CZ-CB 4.24Å; F466-H468 WeakPolarHBondContact CZ-O 3.48Å; H468-F489 AromaticContact CD2-CZ 3.67Å; H468-E506 IonicContact CD2-OE1 2.76Å; H468-E506 IonicContact CE1-OE1 3.47Å; H468-E506 VanDerWaalsContact NE2-CG 3.32Å; H468-E506 WeakPolarHBondContact NE2-CG 3.49Å; H468-E506 IonicContact NE2-OE1 3.41Å; H468-E506 PolarHBondContact NE2-OE1 2.69Å; H468-L509 HydrophobicContact CB-CD2 3.99Å; H468-A553 VanDerWaalsContact CE1-CB 3.44Å; H468-A553 WeakPolarHBondContact CE1-CB 3.47Å; H468-A553 WeakPolarHBondContact ND1-CB 3.22Å
469	R	97.2	Very high	96.8	Very high	66 Å²	66	30.8 Å²	30.8	25%	0.249	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-76.4	123.3	167.8	177.6	-176.5	165.7	81.6	9.2	109.2	Q473 W475 P476	R469-Q473 PolarHBondContact NH2-O 3.04Å; R469-W475 VanDerWaalsContact CZ-O 3.29Å; R469-W475 PolarHBondContact NH1-O 2.58Å; R469-W475 VanDerWaalsContact NH1-O 3.09Å; R469-W475 PolarHBondContact NH2-O 3.16Å; R469-P476 PolarHBondContact NH1-O 2.62Å
470	S	96.6	Very high	96.8	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.014	16%	0.158	C	C	.	.	P	Polyproline II helix	trans	-64.6	140.8	177.4	172.6	0	0	0	0	112.1	Q472 Q473 Y502 E506	S470-Q472 PolarHBondContact O-N 3.06Å; S470-Q472 PolarHBondContact OG-N 2.67Å; S470-Q473 WeakPolarHBondContact O-CB 3.44Å; S470-Q473 PolarHBondContact O-N 3.45Å; S470-Q473 VanDerWaalsContact O-N 3.14Å; S470-Y502 WeakPolarHBondContact OG-CE1 3.25Å; S470-E506 VanDerWaalsContact CA-OE1 3.29Å; S470-E506 WeakPolarHBondContact CA-OE1 3.37Å
471	S	96.9	Very high	96.8	Very high	60 Å²	60	27.5 Å²	27.5	42%	0.42	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-21	170.6	67.8	0	0	0	0	113.4	E506	S471-E506 VanDerWaalsContact CB-OE2 3.27Å; S471-E506 WeakPolarHBondContact CB-OE2 3.27Å; S471-E506 PolarHBondContact N-OE1 3.21Å; S471-E506 PolarHBondContact OG-OE1 3.22Å; S471-E506 PolarHBondContact OG-OE2 3.36Å
472	Q	95.7	Very high	96.8	Very high	66 Å²	66	27.5 Å²	27.5	31%	0.308	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	0.6	175.8	-55.1	-58.7	-87.3	0	0	112.6	S470 V474 A501 Y502	S470-Q472 PolarHBondContact O-N 3.06Å; S470-Q472 PolarHBondContact OG-N 2.67Å; Q472-V474 PolarHBondContact O-N 2.64Å; Q472-A501 PolarHBondContact NE2-O 3.07Å; Q472-A501 VanDerWaalsContact NE2-O 3.13Å; Q472-A501 VanDerWaalsContact OE1-N 3.11Å; Q472-Y502 HydrophobicContact CB-CE1 4.13Å; Q472-Y502 HydrophobicContact CB-CE2 4.01Å; Q472-Y502 HydrophobicContact CG-CD1 3.93Å; Q472-Y502 HydrophobicContact CG-CD2 3.54Å; Q472-Y502 HydrophobicContact CG-CE1 3.79Å; Q472-Y502 HydrophobicContact CG-CE2 3.35Å; Q472-Y502 HydrophobicContact CG-CG 3.82Å; Q472-Y502 VanDerWaalsContact CG-CZ 3.45Å
473	Q	94.9	Very high	96.8	Very high	9 Å²	9	27.4 Å²	27.4	4%	0.042	14%	0.139	C	C	.	.			trans	-70.3	117.2	176	-179.9	174	-27.3	0	0	110.3	R469 S470 W475 G480 Y485	R469-Q473 PolarHBondContact NH2-O 3.04Å; S470-Q473 WeakPolarHBondContact O-CB 3.44Å; S470-Q473 PolarHBondContact O-N 3.45Å; S470-Q473 VanDerWaalsContact O-N 3.14Å; Q473-W475 HydrophobicContact CG-CB 4.12Å; Q473-G480 PolarHBondContact NE2-O 3.23Å; Q473-G480 PolarHBondContact OE1-O 3.26Å; Q473-Y485 HydrophobicContact CB-CD1 4.01Å; Q473-Y485 HydrophobicContact CB-CE1 3.89Å; Q473-Y485 HydrophobicContact CG-CD1 3.84Å; Q473-Y485 HydrophobicContact CG-CE1 3.57Å
474	V	94.9	Very high	96.8	Very high	53 Å²	53	27 Å²	27	32%	0.321	14%	0.137	S	C	.	.			trans	-83.9	-13.9	-176.9	-64.2	0	0	0	0	114.4	F105 E106 G107 Q472	F105-V474 HydrophobicContact CE1-CG2 4.22Å; F105-V474 HydrophobicContact CE2-CB 4.1Å; F105-V474 HydrophobicContact CE2-CG2 3.89Å; F105-V474 HydrophobicContact CZ-CB 4.09Å; F105-V474 HydrophobicContact CZ-CG2 3.61Å; F105-V474 WeakPolarHBondContact CZ-O 3.47Å; E106-V474 HydrophobicContact CB-CG2 4.18Å; G107-V474 VanDerWaalsContact N-CG2 3.27Å; Q472-V474 PolarHBondContact O-N 2.64Å
475	W	95.8	Very high	96.7	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.008	14%	0.138	C	C	.	.	S	Bend	trans	-62.3	149.2	171.5	-70.7	103.5	0	0	0	111.2	F102 F105 G107 A108 Y363 V366 Y367 R469 Q473 M479 Y485	F102-W475 AromaticContact CD2-CH2 3.77Å; F102-W475 HydrophobicContact CD2-CH2 3.77Å; F102-W475 HydrophobicContact CD2-CZ3 4.33Å; F102-W475 HydrophobicContact CE1-CZ3 4.24Å; F102-W475 AromaticContact CE2-CH2 3.77Å; F102-W475 HydrophobicContact CE2-CH2 3.77Å; F102-W475 HydrophobicContact CE2-CZ3 4.03Å; F102-W475 HydrophobicContact CG-CH2 4.2Å; F102-W475 HydrophobicContact CZ-CH2 4.21Å; F102-W475 AromaticContact CZ-CZ3 4Å; F102-W475 HydrophobicContact CZ-CZ3 4Å; F105-W475 AromaticContact CD1-CH2 3.97Å; F105-W475 HydrophobicContact CD1-CH2 3.97Å; F105-W475 HydrophobicContact CD1-CZ2 4.08Å; F105-W475 HydrophobicContact CD1-CZ3 4.25Å; F105-W475 AromaticContact CE1-CD2 3.61Å; F105-W475 HydrophobicContact CE1-CD2 3.61Å; F105-W475 AromaticContact CE1-CE2 3.63Å; F105-W475 AromaticContact CE1-CE3 3.63Å; F105-W475 HydrophobicContact CE1-CE3 3.63Å; F105-W475 HydrophobicContact CE1-CG 4.29Å; F105-W475 AromaticContact CE1-CH2 3.7Å; F105-W475 HydrophobicContact CE1-CH2 3.7Å; F105-W475 AromaticContact CE1-CZ2 3.67Å; F105-W475 HydrophobicContact CE1-CZ2 3.67Å; F105-W475 AromaticContact CE1-CZ3 3.68Å; F105-W475 HydrophobicContact CE1-CZ3 3.68Å; F105-W475 HydrophobicContact CZ-CD2 4.16Å; F105-W475 HydrophobicContact CZ-CE3 4.19Å; F105-W475 HydrophobicContact CZ-CG 4.48Å; G107-W475 WeakPolarHBondContact O-CZ2 3.44Å; G107-W475 PolarHBondContact O-NE1 2.98Å; A108-W475 HydrophobicContact CB-CZ2 4.42Å; Y363-W475 AromaticContact CD2-CE2 3.93Å; Y363-W475 AromaticContact CD2-CZ2 3.91Å; Y363-W475 HydrophobicContact CD2-CZ2 3.91Å; Y363-W475 AromaticContact CE2-CE2 3.9Å; Y363-W475 HydrophobicContact CE2-CH2 4.44Å; Y363-W475 AromaticContact CE2-CZ2 3.55Å; Y363-W475 HydrophobicContact CE2-CZ2 3.55Å; Y363-W475 AromaticContact CE2-NE1 3.98Å; V366-W475 HydrophobicContact CG2-CZ3 4.33Å; Y367-W475 HydrophobicContact CE2-CH2 4.26Å; R469-W475 VanDerWaalsContact CZ-O 3.29Å; R469-W475 PolarHBondContact NH1-O 2.58Å; R469-W475 VanDerWaalsContact NH1-O 3.09Å; R469-W475 PolarHBondContact NH2-O 3.16Å; Q473-W475 HydrophobicContact CG-CB 4.12Å; W475-M479 HydrophobicContact CB-CE 4.5Å; W475-M479 HydrophobicContact CB-SD 3.86Å; W475-M479 HydrophobicContact CD2-CE 4.16Å; W475-M479 HydrophobicContact CD2-SD 4.21Å; W475-M479 HydrophobicContact CE3-CE 3.91Å; W475-M479 HydrophobicContact CE3-SD 3.74Å; W475-M479 HydrophobicContact CG-CE 4.42Å; W475-M479 HydrophobicContact CG-SD 4.29Å; W475-Y485 AromaticContact CD1-CE2 3.76Å; W475-Y485 AromaticContact CD1-CZ 3.54Å; W475-Y485 AromaticContact NE1-CE2 3.87Å; W475-Y485 AromaticContact NE1-CZ 3.81Å; W475-Y485 PolarHBondContact NE1-OH 2.99Å
476	P	95.5	Very high	96.8	Very high	4 Å²	4	26 Å²	26	3%	0.026	13%	0.133	C	C	.	.			trans	-47.6	145.2	178	-32.2	36.6	0	0	0	114.9	L378 R469 W478 M479	L378-P476 WeakPolarHBondContact O-CG 3.45Å; R469-P476 PolarHBondContact NH1-O 2.62Å; P476-W478 VanDerWaalsContact C-N 3.3Å; P476-W478 VanDerWaalsContact CB-CD1 3.45Å; P476-W478 HydrophobicContact CB-CG 4.43Å; P476-W478 PolarHBondContact O-N 2.93Å; P476-M479 HydrophobicContact CB-CG 4.46Å; P476-M479 HydrophobicContact CB-SD 4.49Å; P476-M479 HydrophobicContact CG-SD 4.35Å; P476-M479 WeakPolarHBondContact O-CB 3.5Å; P476-M479 PolarHBondContact O-N 3.33Å
477	E	94.6	Very high	96.8	Very high	161 Å²	161	26 Å²	26	75%	0.752	13%	0.133	S	C	*	.	G	3₁₀ helix	trans	-55.3	-42	-172.9	-172.4	177	-178.1	0	0	113.6	M479 G480	E477-M479 PolarHBondContact O-N 2.7Å; E477-M479 VanDerWaalsContact O-N 3.08Å; E477-G480 PolarHBondContact O-N 3.02Å; E477-G480 VanDerWaalsContact O-N 3.07Å
478	W	94.4	Very high	96.8	Very high	44 Å²	44	25 Å²	25	17%	0.167	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-62.3	-17.3	-178.6	67.5	-94.3	0	0	0	113.9	I362 V366 F373 L378 K382 F385 L428 Q431 P476 G480	I362-W478 HydrophobicContact CD1-CH2 3.79Å; I362-W478 HydrophobicContact CD1-CZ3 3.53Å; I362-W478 HydrophobicContact CG1-CE3 4.4Å; I362-W478 HydrophobicContact CG1-CH2 3.68Å; I362-W478 HydrophobicContact CG1-CZ3 3.37Å; V366-W478 HydrophobicContact CG1-CH2 4.27Å; F373-W478 AromaticContact CD1-CH2 3.9Å; F373-W478 HydrophobicContact CD1-CH2 3.9Å; F373-W478 HydrophobicContact CD1-CZ2 4.26Å; F373-W478 AromaticContact CE1-CH2 3.6Å; F373-W478 HydrophobicContact CE1-CH2 3.6Å; F373-W478 HydrophobicContact CE1-CZ2 4.29Å; F373-W478 HydrophobicContact CE1-CZ3 4.24Å; L378-W478 HydrophobicContact CD2-CZ2 3.62Å; K382-W478 PolarHBondContact O-NE1 3.47Å; F385-W478 AromaticContact CD2-CZ2 4Å; F385-W478 HydrophobicContact CD2-CZ2 4Å; F385-W478 AromaticContact CE2-CZ2 3.83Å; F385-W478 HydrophobicContact CE2-CZ2 3.83Å; L428-W478 HydrophobicContact CD2-CB 4.04Å; Q431-W478 HydrophobicContact CB-CE3 4.47Å; Q431-W478 HydrophobicContact CB-CZ3 4.33Å; Q431-W478 HydrophobicContact CG-CZ3 4.38Å; P476-W478 VanDerWaalsContact C-N 3.3Å; P476-W478 VanDerWaalsContact CB-CD1 3.45Å; P476-W478 HydrophobicContact CB-CG 4.43Å; P476-W478 PolarHBondContact O-N 2.93Å; W478-G480 PolarHBondContact O-N 3.5Å
479	M	96.7	Very high	96.8	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-74	-12.4	176.8	-64.8	-179.5	69.2	0	0	112.8	E359 I362 V366 W475 P476 E477 V482	E359-M479 VanDerWaalsContact CB-O 3.3Å; E359-M479 WeakPolarHBondContact CB-O 3.26Å; E359-M479 WeakPolarHBondContact CG-O 3.46Å; I362-M479 HydrophobicContact CG1-CE 4.39Å; I362-M479 HydrophobicContact CG1-CG 4.28Å; I362-M479 HydrophobicContact CG2-CB 3.97Å; I362-M479 HydrophobicContact CG2-CE 4.01Å; I362-M479 HydrophobicContact CG2-CG 4.33Å; V366-M479 HydrophobicContact CG1-CE 4.31Å; V366-M479 HydrophobicContact CG2-CE 4.29Å; W475-M479 HydrophobicContact CB-CE 4.5Å; W475-M479 HydrophobicContact CB-SD 3.86Å; W475-M479 HydrophobicContact CD2-CE 4.16Å; W475-M479 HydrophobicContact CD2-SD 4.21Å; W475-M479 HydrophobicContact CE3-CE 3.91Å; W475-M479 HydrophobicContact CE3-SD 3.74Å; W475-M479 HydrophobicContact CG-CE 4.42Å; W475-M479 HydrophobicContact CG-SD 4.29Å; P476-M479 HydrophobicContact CB-CG 4.46Å; P476-M479 HydrophobicContact CB-SD 4.49Å; P476-M479 HydrophobicContact CG-SD 4.35Å; P476-M479 WeakPolarHBondContact O-CB 3.5Å; P476-M479 PolarHBondContact O-N 3.33Å; E477-M479 PolarHBondContact O-N 2.7Å; E477-M479 VanDerWaalsContact O-N 3.08Å; M479-V482 HydrophobicContact CB-CG1 3.72Å; M479-V482 HydrophobicContact CE-CG1 4.26Å; M479-V482 WeakPolarHBondContact O-CG1 3.37Å
480	G	96.4	Very high	96.9	Very high	14 Å²	14	21 Å²	21	14%	0.144	11%	0.111	C	C	.	.			trans	65	-141.3	172.5	0	0	0	0	0	113.8	E359 Q473 E477 W478 V482	E359-G480 WeakPolarHBondContact OE2-CA 3.17Å; Q473-G480 PolarHBondContact NE2-O 3.23Å; Q473-G480 PolarHBondContact OE1-O 3.26Å; E477-G480 PolarHBondContact O-N 3.02Å; E477-G480 VanDerWaalsContact O-N 3.07Å; W478-G480 PolarHBondContact O-N 3.5Å; G480-V482 PolarHBondContact O-N 3.17Å
481	A	97.4	Very high	97	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.008	11%	0.112	C	C	.	.	S	Bend	trans	-94.1	88	-178.1	0	0	0	0	0	109.8	R358 E359 F466	R358-A481 HydrophobicContact CB-CB 4.24Å; E359-A481 PolarHBondContact N-O 3.28Å; E359-A481 PolarHBondContact OE2-N 3.06Å; F466-A481 HydrophobicContact CD1-CB 4.05Å; F466-A481 HydrophobicContact CE1-CB 3.98Å
482	V	97.9	Very high	97.1	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.092	C	C	.	.	B	Isolated β-bridge	trans	-79.5	163.8	-169.7	-54.3	0	0	0	0	113.1	N357 E359 I362 M479 G480 G484 Y485	N357-V482 PolarHBondContact ND2-O 2.7Å; E359-V482 VanDerWaalsContact O-CA 3.32Å; E359-V482 WeakPolarHBondContact O-CA 3.29Å; I362-V482 HydrophobicContact CG2-CG1 3.69Å; M479-V482 HydrophobicContact CB-CG1 3.72Å; M479-V482 HydrophobicContact CE-CG1 4.26Å; M479-V482 WeakPolarHBondContact O-CG1 3.37Å; G480-V482 PolarHBondContact O-N 3.17Å; V482-G484 PolarHBondContact O-N 2.96Å; V482-Y485 HydrophobicContact CG2-CD2 3.15Å; V482-Y485 HydrophobicContact CG2-CE2 3.43Å; V482-Y485 VanDerWaalsContact CG2-CE2 3.43Å; V482-Y485 HydrophobicContact CG2-CG 3.91Å; V482-Y485 PolarHBondContact O-N 3.42Å
483	H	98.7	Very high	97.2	Very high	11 Å²	11	16.2 Å²	16.2	5%	0.051	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.8	134.3	176	-158.9	77.4	0	0	0	113.1	E229 S230 S256 E360 F364 F443 Y485	E229-H483 IonicContact OE1-CD2 3.31Å; E229-H483 PolarHBondContact OE1-CD2 2.69Å; E229-H483 VanDerWaalsContact OE1-CD2 3.22Å; E229-H483 IonicContact OE1-CE1 3.23Å; E229-H483 IonicContact OE1-CG 3.16Å; E229-H483 IonicContact OE1-ND1 3.66Å; E229-H483 IonicContact OE1-NE2 3.35Å; E229-H483 PolarHBondContact OE1-NE2 3.12Å; S230-H483 WeakPolarHBondContact CB-NE2 3.31Å; S230-H483 PolarHBondContact OG-NE2 3.3Å; S256-H483 PolarHBondContact O-CE1 3.31Å; E360-H483 WeakPolarHBondContact O-CB 3.45Å; E360-H483 IonicContact OE2-CE1 2.67Å; E360-H483 IonicContact OE2-CG 2.8Å; E360-H483 IonicContact OE2-ND1 3.28Å; E360-H483 PolarHBondContact OE2-ND1 3.05Å; F364-H483 HydrophobicContact CE2-CB 3.9Å; F364-H483 AromaticContact CE2-CD2 3.77Å; F364-H483 AromaticContact CE2-CG 3.73Å; F364-H483 HydrophobicContact CZ-CB 4.32Å; F364-H483 AromaticContact CZ-CD2 3.47Å; F364-H483 VanDerWaalsContact CZ-CD2 3.47Å; F364-H483 WeakPolarHBondContact CZ-CD2 3.32Å; F364-H483 AromaticContact CZ-CG 3.93Å; F364-H483 AromaticContact CZ-NE2 3.88Å; F443-H483 AromaticContact CD1-CE1 3.42Å; F443-H483 VanDerWaalsContact CD1-CE1 3.42Å; F443-H483 WeakPolarHBondContact CD1-CE1 2.92Å; F443-H483 AromaticContact CE1-CE1 3.21Å; F443-H483 WeakPolarHBondContact CE1-CE1 3.48Å; F443-H483 AromaticContact CE1-ND1 3.94Å; F443-H483 AromaticContact CE1-NE2 3.66Å; F443-H483 AromaticContact CZ-CE1 3.8Å; H483-Y485 VanDerWaalsContact C-N 3.29Å; H483-Y485 PolarHBondContact O-N 3.18Å
484	G	98.2	Very high	97.3	Very high	2 Å²	2	15.8 Å²	15.8	2%	0.021	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.1	-10.1	176.8	0	0	0	0	0	117.2	E229 N357 V482 E486 I487	E229-G484 VanDerWaalsContact OE1-CA 3.28Å; E229-G484 WeakPolarHBondContact OE1-CA 3.4Å; E229-G484 PolarHBondContact OE1-N 2.67Å; N357-G484 PolarHBondContact ND2-N 3.38Å; V482-G484 PolarHBondContact O-N 2.96Å; G484-E486 VanDerWaalsContact C-N 3.28Å; G484-E486 WeakPolarHBondContact CA-OE2 3.33Å; G484-E486 PolarHBondContact N-OE2 2.63Å; G484-E486 PolarHBondContact O-N 3.04Å; G484-I487 VanDerWaalsContact O-CB 3.26Å; G484-I487 WeakPolarHBondContact O-CB 3.35Å; G484-I487 WeakPolarHBondContact O-CD1 3.42Å; G484-I487 WeakPolarHBondContact O-CG1 3.4Å; G484-I487 PolarHBondContact O-N 2.78Å
485	Y	97.9	Very high	97.4	Very high	7 Å²	7	13.8 Å²	13.8	3%	0.027	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-8.4	-175.8	-87.9	-103	0	0	0	114.7	M110 W111 Q473 W475 V482 H483 I487 N488	M110-Y485 HydrophobicContact SD-CE1 4.41Å; M110-Y485 PolarHBondContact SD-OH 3.28Å; W111-Y485 HydrophobicContact CZ2-CE2 4.37Å; Q473-Y485 HydrophobicContact CB-CD1 4.01Å; Q473-Y485 HydrophobicContact CB-CE1 3.89Å; Q473-Y485 HydrophobicContact CG-CD1 3.84Å; Q473-Y485 HydrophobicContact CG-CE1 3.57Å; W475-Y485 AromaticContact CD1-CE2 3.76Å; W475-Y485 AromaticContact CD1-CZ 3.54Å; W475-Y485 AromaticContact NE1-CE2 3.87Å; W475-Y485 AromaticContact NE1-CZ 3.81Å; W475-Y485 PolarHBondContact NE1-OH 2.99Å; V482-Y485 HydrophobicContact CG2-CD2 3.15Å; V482-Y485 HydrophobicContact CG2-CE2 3.43Å; V482-Y485 VanDerWaalsContact CG2-CE2 3.43Å; V482-Y485 HydrophobicContact CG2-CG 3.91Å; V482-Y485 PolarHBondContact O-N 3.42Å; H483-Y485 VanDerWaalsContact C-N 3.29Å; H483-Y485 PolarHBondContact O-N 3.18Å; Y485-I487 VanDerWaalsContact C-N 3.27Å; Y485-N488 PolarHBondContact O-OD1 3.19Å
486	E	98.6	Very high	97.5	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-22.8	170	83.8	-69.2	178.1	0	0	112.1	E229 Q255 N357 F466 G484 N488 F489 I490 F513	E229-E486 WeakPolarHBondContact CG-OE1 3.47Å; Q255-E486 PolarHBondContact NE2-OE1 3.41Å; N357-E486 PolarHBondContact ND2-OE2 3.12Å; N357-E486 PolarHBondContact OD1-OE2 3.22Å; F466-E486 HydrophobicContact CB-CB 4.34Å; F466-E486 HydrophobicContact CD1-CB 3.76Å; F466-E486 HydrophobicContact CD2-CB 3.98Å; F466-E486 HydrophobicContact CE1-CB 3.93Å; F466-E486 HydrophobicContact CE2-CB 4.13Å; F466-E486 HydrophobicContact CG-CB 3.77Å; F466-E486 HydrophobicContact CZ-CB 4.09Å; G484-E486 VanDerWaalsContact C-N 3.28Å; G484-E486 WeakPolarHBondContact CA-OE2 3.33Å; G484-E486 PolarHBondContact N-OE2 2.63Å; G484-E486 PolarHBondContact O-N 3.04Å; E486-N488 VanDerWaalsContact C-N 3.28Å; E486-N488 PolarHBondContact O-N 2.9Å; E486-F489 WeakPolarHBondContact O-CB 3.03Å; E486-F489 PolarHBondContact O-N 2.88Å; E486-I490 HydrophobicContact CG-CD1 3.97Å; E486-I490 WeakPolarHBondContact O-CG1 3.41Å; E486-I490 PolarHBondContact O-N 3.36Å; E486-F513 HydrophobicContact CB-CZ 4.22Å
487	I	98.8	Very high	97.4	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-56.3	-42.5	179.2	-60.3	174.6	0	0	0	111	W111 W145 V160 Y161 E229 G484 Y485 F489 I490 Y491	W111-I487 HydrophobicContact CH2-CD1 4.23Å; W111-I487 HydrophobicContact CZ3-CD1 4.37Å; W145-I487 HydrophobicContact CH2-CD1 4.14Å; W145-I487 HydrophobicContact CH2-CG1 4.28Å; W145-I487 HydrophobicContact CZ2-CD1 4.23Å; V160-I487 HydrophobicContact CG1-CG2 4.45Å; V160-I487 HydrophobicContact CG2-CB 4.34Å; V160-I487 HydrophobicContact CG2-CG2 3.84Å; Y161-I487 HydrophobicContact CD1-CG2 3.75Å; Y161-I487 HydrophobicContact CE1-CD1 3.94Å; Y161-I487 HydrophobicContact CE1-CG2 3.65Å; E229-I487 HydrophobicContact CB-CD1 3.84Å; E229-I487 HydrophobicContact CB-CG1 4.23Å; E229-I487 HydrophobicContact CG-CD1 3.74Å; E229-I487 HydrophobicContact CG-CG1 4.04Å; G484-I487 VanDerWaalsContact O-CB 3.26Å; G484-I487 WeakPolarHBondContact O-CB 3.35Å; G484-I487 WeakPolarHBondContact O-CD1 3.42Å; G484-I487 WeakPolarHBondContact O-CG1 3.4Å; G484-I487 PolarHBondContact O-N 2.78Å; Y485-I487 VanDerWaalsContact C-N 3.27Å; I487-F489 PolarHBondContact O-N 2.92Å; I487-F489 VanDerWaalsContact O-N 3.17Å; I487-I490 PolarHBondContact O-N 3.43Å; I487-Y491 HydrophobicContact CG2-CD2 3.75Å; I487-Y491 HydrophobicContact CG2-CE2 4.14Å; I487-Y491 PolarHBondContact O-N 3.07Å
488	N	98	Very high	97.4	Very high	5 Å²	5	19.8 Å²	19.8	3%	0.027	10%	0.098	C	C	.	.	H	α-helix	trans	-53	-40.2	178.4	-57.9	72.5	0	0	0	111.4	V160 Y485 E486 G492 E493 P494	V160-N488 HydrophobicContact CG2-CB 4.47Å; Y485-N488 PolarHBondContact O-OD1 3.19Å; E486-N488 VanDerWaalsContact C-N 3.28Å; E486-N488 PolarHBondContact O-N 2.9Å; N488-G492 PolarHBondContact O-N 2.92Å; N488-E493 HydrophobicContact CB-CB 4.18Å; N488-E493 VanDerWaalsContact ND2-CD 3.27Å; N488-E493 PolarHBondContact ND2-OE1 3.3Å; N488-E493 PolarHBondContact ND2-OE2 3.03Å; N488-E493 VanDerWaalsContact O-CB 3.27Å; N488-E493 WeakPolarHBondContact O-CB 2.93Å; N488-E493 PolarHBondContact O-N 3.1Å; N488-P494 WeakPolarHBondContact O-CD 3.28Å
489	F	98.6	Very high	97.3	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-75.3	-35.7	179.7	-62.6	-89	0	0	0	112.5	F466 H468 E486 I487 G492 P494 Y502 E506 L509 S510 F513	F466-F489 HydrophobicContact CE2-CD2 4.04Å; F466-F489 HydrophobicContact CE2-CE2 4.12Å; F466-F489 AromaticContact CZ-CD2 3.93Å; F466-F489 HydrophobicContact CZ-CD2 3.93Å; F466-F489 AromaticContact CZ-CE2 3.73Å; F466-F489 HydrophobicContact CZ-CE2 3.73Å; H468-F489 AromaticContact CD2-CZ 3.67Å; E486-F489 WeakPolarHBondContact O-CB 3.03Å; E486-F489 PolarHBondContact O-N 2.88Å; I487-F489 PolarHBondContact O-N 2.92Å; I487-F489 VanDerWaalsContact O-N 3.17Å; F489-G492 PolarHBondContact O-N 3.44Å; F489-P494 HydrophobicContact CD1-CG 3.87Å; F489-P494 HydrophobicContact CE1-CG 4.06Å; F489-Y502 HydrophobicContact CE1-CE1 4.4Å; F489-Y502 HydrophobicContact CZ-CE1 4.2Å; F489-E506 HydrophobicContact CE1-CB 3.87Å; F489-E506 HydrophobicContact CE1-CG 3.94Å; F489-E506 HydrophobicContact CZ-CG 4.31Å; F489-L509 HydrophobicContact CD1-CB 4.24Å; F489-L509 HydrophobicContact CD1-CD2 3.83Å; F489-L509 HydrophobicContact CD1-CG 3.93Å; F489-L509 HydrophobicContact CE1-CB 4.47Å; F489-L509 HydrophobicContact CE1-CD2 3.78Å; F489-L509 HydrophobicContact CE1-CG 4.3Å; F489-L509 HydrophobicContact CG-CD2 4.36Å; F489-L509 HydrophobicContact CG-CG 4.49Å; F489-L509 HydrophobicContact CZ-CD2 4.25Å; F489-S510 WeakPolarHBondContact O-CA 3.31Å; F489-S510 WeakPolarHBondContact O-CB 3.44Å; F489-S510 PolarHBondContact O-OG 3.13Å; F489-F513 HydrophobicContact CB-CB 4.44Å; F489-F513 HydrophobicContact CB-CD2 3.49Å; F489-F513 VanDerWaalsContact CB-CD2 3.49Å; F489-F513 HydrophobicContact CB-CE2 3.91Å; F489-F513 HydrophobicContact CB-CG 4.11Å; F489-F513 HydrophobicContact CG-CD2 4.31Å; F489-F513 HydrophobicContact CG-CE2 4.38Å
490	I	98.7	Very high	97.3	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	12%	0.123	C	C	.	.	H	α-helix	trans	-67.1	-40.9	178.9	-65.2	166.1	0	0	0	111.4	F227 E486 I487 G492 F513 M514 W517	F227-I490 HydrophobicContact CE2-CG2 4.46Å; E486-I490 HydrophobicContact CG-CD1 3.97Å; E486-I490 WeakPolarHBondContact O-CG1 3.41Å; E486-I490 PolarHBondContact O-N 3.36Å; I487-I490 PolarHBondContact O-N 3.43Å; I490-G492 VanDerWaalsContact C-N 3.31Å; I490-F513 HydrophobicContact CD1-CD1 4.26Å; I490-F513 HydrophobicContact CD1-CE1 4.43Å; I490-F513 HydrophobicContact CG1-CB 4.23Å; I490-F513 HydrophobicContact CG1-CD1 3.56Å; I490-F513 HydrophobicContact CG1-CE1 4.14Å; I490-F513 HydrophobicContact CG1-CG 4.09Å; I490-M514 VanDerWaalsContact O-CG 3.27Å; I490-M514 WeakPolarHBondContact O-CG 3.46Å; I490-W517 HydrophobicContact CD1-CH2 4.34Å; I490-W517 HydrophobicContact CD1-CZ2 3.65Å; I490-W517 HydrophobicContact CG1-CD2 4.5Å; I490-W517 HydrophobicContact CG1-CZ2 4.26Å; I490-W517 HydrophobicContact CG2-CG 4.29Å
491	Y	98.5	Very high	97.2	Very high	6 Å²	6	29.4 Å²	29.4	2%	0.024	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-4.1	179.9	-85.2	-88.1	0	0	0	114.3	W145 V160 Y161 D162 I174 F227 I487	W145-Y491 WeakPolarHBondContact CB-OH 3.48Å; W145-Y491 HydrophobicContact CD2-CE2 4.2Å; W145-Y491 HydrophobicContact CE3-CE2 4.25Å; W145-Y491 HydrophobicContact CZ3-CE2 4.4Å; V160-Y491 VanDerWaalsContact O-CB 3.31Å; V160-Y491 WeakPolarHBondContact O-CB 3.4Å; V160-Y491 WeakPolarHBondContact O-CD2 3.21Å; Y161-Y491 HydrophobicContact CD1-CE2 4.13Å; Y161-Y491 VanDerWaalsContact O-CE1 3.24Å; Y161-Y491 WeakPolarHBondContact O-CE1 3.32Å; D162-Y491 WeakPolarHBondContact O-CD1 3.16Å; I174-Y491 HydrophobicContact CG2-CE1 4.45Å; F227-Y491 HydrophobicContact CE2-CE2 4.12Å; F227-Y491 WeakPolarHBondContact CZ-OH 3.32Å; I487-Y491 HydrophobicContact CG2-CD2 3.75Å; I487-Y491 HydrophobicContact CG2-CE2 4.14Å; I487-Y491 PolarHBondContact O-N 3.07Å
492	G	98.2	Very high	97.3	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.2	16.7	175.2	0	0	0	0	0	114.5	I165 N488 F489 I490 P494 L495 S510	I165-G492 VanDerWaalsContact CD1-O 3.26Å; I165-G492 WeakPolarHBondContact CD1-O 3.28Å; N488-G492 PolarHBondContact O-N 2.92Å; F489-G492 PolarHBondContact O-N 3.44Å; I490-G492 VanDerWaalsContact C-N 3.31Å; G492-P494 VanDerWaalsContact C-CD 3.43Å; G492-P494 VanDerWaalsContact C-N 3.28Å; G492-L495 WeakPolarHBondContact O-CB 3.15Å; G492-L495 PolarHBondContact O-N 2.95Å; G492-S510 WeakPolarHBondContact CA-OG 3.46Å
493	E	97.7	Very high	97.3	Very high	20 Å²	20	33.1 Å²	33.1	9%	0.093	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-51.3	-40.4	-180	-169.3	-179.1	87.9	0	0	113.1	N488 L495 N496 Y500 Y502	N488-E493 HydrophobicContact CB-CB 4.18Å; N488-E493 VanDerWaalsContact ND2-CD 3.27Å; N488-E493 PolarHBondContact ND2-OE1 3.3Å; N488-E493 PolarHBondContact ND2-OE2 3.03Å; N488-E493 VanDerWaalsContact O-CB 3.27Å; N488-E493 WeakPolarHBondContact O-CB 2.93Å; N488-E493 PolarHBondContact O-N 3.1Å; E493-L495 PolarHBondContact O-N 3.03Å; E493-N496 WeakPolarHBondContact O-CB 3.38Å; E493-N496 PolarHBondContact O-N 2.99Å; E493-Y500 HydrophobicContact CG-CD2 3.47Å; E493-Y500 VanDerWaalsContact CG-CD2 3.47Å; E493-Y500 HydrophobicContact CG-CE1 4.35Å; E493-Y500 HydrophobicContact CG-CE2 3.25Å; E493-Y500 HydrophobicContact CG-CG 4.12Å; E493-Y500 PolarHBondContact OE2-OH 2.8Å; E493-Y502 HydrophobicContact CG-CE2 4.17Å; E493-Y502 PolarHBondContact OE1-OH 3.43Å
494	P	97.9	Very high	97.2	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-57.9	-21.7	174.8	-29.7	39.6	0	0	0	115.6	N488 F489 G492 Y502 K507	N488-P494 WeakPolarHBondContact O-CD 3.28Å; F489-P494 HydrophobicContact CD1-CG 3.87Å; F489-P494 HydrophobicContact CE1-CG 4.06Å; G492-P494 VanDerWaalsContact C-CD 3.43Å; G492-P494 VanDerWaalsContact C-N 3.28Å; P494-Y502 VanDerWaalsContact CA-CD2 3.47Å; P494-Y502 HydrophobicContact CB-CD1 3.98Å; P494-Y502 HydrophobicContact CB-CD2 3.98Å; P494-Y502 HydrophobicContact CB-CG 3.68Å; P494-Y502 HydrophobicContact CG-CD1 3.72Å; P494-Y502 HydrophobicContact CG-CD2 4.1Å; P494-Y502 HydrophobicContact CG-CE1 3.79Å; P494-Y502 HydrophobicContact CG-CE2 4.19Å; P494-Y502 HydrophobicContact CG-CG 3.87Å; P494-K507 HydrophobicContact CB-CG 4.15Å; P494-K507 WeakPolarHBondContact O-CG 3.41Å
495	L	97.8	Very high	97.2	Very high	12 Å²	12	40 Å²	40	6%	0.063	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-85.9	-7.4	177.4	-53.6	-172.5	0	0	0	113.1	I165 G492 E493 I497 K507 R511 M514	I165-L495 HydrophobicContact CD1-CB 4.45Å; I165-L495 HydrophobicContact CG2-CB 4.22Å; I165-L495 HydrophobicContact CG2-CD1 3.98Å; G492-L495 WeakPolarHBondContact O-CB 3.15Å; G492-L495 PolarHBondContact O-N 2.95Å; E493-L495 PolarHBondContact O-N 3.03Å; L495-I497 VanDerWaalsContact C-N 3.27Å; L495-I497 PolarHBondContact O-N 2.95Å; L495-K507 HydrophobicContact CD2-CB 3.89Å; L495-K507 HydrophobicContact CD2-CG 4.16Å; L495-R511 HydrophobicContact CD1-CG 4.35Å; L495-R511 HydrophobicContact CD2-CG 4.41Å; L495-M514 HydrophobicContact CD1-CE 3.4Å; L495-M514 HydrophobicContact CG-CE 4.37Å
496	N	96.4	Very high	97.2	Very high	31 Å²	31	39.8 Å²	39.8	17%	0.166	21%	0.206	C	C	.	.			trans	-82.6	72.4	171.2	-174.6	-5.8	0	0	0	110.8	A49 I165 E493 H498 R499 Y500	A49-N496 HydrophobicContact CB-CB 3.69Å; A49-N496 WeakPolarHBondContact CB-OD1 3.43Å; I165-N496 HydrophobicContact CD1-CB 4.14Å; E493-N496 WeakPolarHBondContact O-CB 3.38Å; E493-N496 PolarHBondContact O-N 2.99Å; N496-H498 PolarHBondContact O-N 3.17Å; N496-R499 PolarHBondContact O-N 3.21Å; N496-R499 VanDerWaalsContact O-N 3.12Å; N496-R499 PolarHBondContact OD1-N 3.2Å; N496-Y500 HydrophobicContact CB-CD2 4.08Å; N496-Y500 HydrophobicContact CB-CE2 4.47Å; N496-Y500 PolarHBondContact O-N 2.95Å
497	I	94.9	Very high	97.2	Very high	104 Å²	104	41.2 Å²	41.2	53%	0.533	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-11.3	-178	66.1	170.7	0	0	0	114	L495	L495-I497 VanDerWaalsContact C-N 3.27Å; L495-I497 PolarHBondContact O-N 2.95Å
498	H	92.9	Very high	97.1	Very high	158 Å²	158	45.3 Å²	45.3	73%	0.731	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-23.8	178	-62.4	-54.9	0	0	0	112.5	A49 N496	A49-H498 PolarHBondContact O-CD2 2.75Å; N496-H498 PolarHBondContact O-N 3.17Å
499	R	93.5	Very high	97.1	Very high	144 Å²	144	45 Å²	45	54%	0.543	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112	-33.5	-177.8	-173.6	171.9	176.3	175.1	-1.5	113.2	D159 N496	D159-R499 IonicContact OD2-CZ 3.72Å; D159-R499 VanDerWaalsContact OD2-CZ 3.25Å; D159-R499 IonicContact OD2-NH1 2.68Å; D159-R499 PolarHBondContact OD2-NH1 3.11Å; D159-R499 IonicContact OD2-NH2 4Å; D159-R499 PolarHBondContact OD2-NH2 3.2Å; N496-R499 PolarHBondContact O-N 3.21Å; N496-R499 VanDerWaalsContact O-N 3.12Å; N496-R499 PolarHBondContact OD1-N 3.2Å
500	Y	95.3	Very high	97.1	Very high	38 Å²	38	45 Å²	45	15%	0.149	23%	0.233	C	C	.	.			trans	-126.5	152.1	-171.2	-53.7	-80	0	0	0	113.2	E493 N496 Y502	E493-Y500 HydrophobicContact CG-CD2 3.47Å; E493-Y500 VanDerWaalsContact CG-CD2 3.47Å; E493-Y500 HydrophobicContact CG-CE1 4.35Å; E493-Y500 HydrophobicContact CG-CE2 3.25Å; E493-Y500 HydrophobicContact CG-CG 4.12Å; E493-Y500 PolarHBondContact OE2-OH 2.8Å; N496-Y500 HydrophobicContact CB-CD2 4.08Å; N496-Y500 HydrophobicContact CB-CE2 4.47Å; N496-Y500 PolarHBondContact O-N 2.95Å; Y500-Y502 HydrophobicContact CD1-CE2 4.37Å; Y500-Y502 HydrophobicContact CG-CD2 4.37Å; Y500-Y502 AromaticContact CG-CE2 3.98Å; Y500-Y502 HydrophobicContact CG-CE2 3.98Å
501	A	96.1	Very high	97.1	Very high	78 Å²	78	49.4 Å²	49.4	65%	0.645	25%	0.249	S	C	*	.			trans	-111.6	50.2	-176.5	0	0	0	0	0	112.7	Q472	Q472-A501 PolarHBondContact NE2-O 3.07Å; Q472-A501 VanDerWaalsContact NE2-O 3.13Å; Q472-A501 VanDerWaalsContact OE1-N 3.11Å
502	Y	97.8	Very high	97	Very high	12 Å²	12	51.3 Å²	51.3	5%	0.047	26%	0.257	C	S	.	.			trans	-66.3	150.8	175.6	-76.6	-93	0	0	0	113	S470 Q472 F489 E493 P494 Y500 E506 K507	S470-Y502 WeakPolarHBondContact OG-CE1 3.25Å; Q472-Y502 HydrophobicContact CB-CE1 4.13Å; Q472-Y502 HydrophobicContact CB-CE2 4.01Å; Q472-Y502 HydrophobicContact CG-CD1 3.93Å; Q472-Y502 HydrophobicContact CG-CD2 3.54Å; Q472-Y502 HydrophobicContact CG-CE1 3.79Å; Q472-Y502 HydrophobicContact CG-CE2 3.35Å; Q472-Y502 HydrophobicContact CG-CG 3.82Å; Q472-Y502 VanDerWaalsContact CG-CZ 3.45Å; F489-Y502 HydrophobicContact CE1-CE1 4.4Å; F489-Y502 HydrophobicContact CZ-CE1 4.2Å; E493-Y502 HydrophobicContact CG-CE2 4.17Å; E493-Y502 PolarHBondContact OE1-OH 3.43Å; P494-Y502 VanDerWaalsContact CA-CD2 3.47Å; P494-Y502 HydrophobicContact CB-CD1 3.98Å; P494-Y502 HydrophobicContact CB-CD2 3.98Å; P494-Y502 HydrophobicContact CB-CG 3.68Å; P494-Y502 HydrophobicContact CG-CD1 3.72Å; P494-Y502 HydrophobicContact CG-CD2 4.1Å; P494-Y502 HydrophobicContact CG-CE1 3.79Å; P494-Y502 HydrophobicContact CG-CE2 4.19Å; P494-Y502 HydrophobicContact CG-CG 3.87Å; Y500-Y502 HydrophobicContact CD1-CE2 4.37Å; Y500-Y502 HydrophobicContact CG-CD2 4.37Å; Y500-Y502 AromaticContact CG-CE2 3.98Å; Y500-Y502 HydrophobicContact CG-CE2 3.98Å; Y502-E506 HydrophobicContact CD1-CB 3.88Å; Y502-E506 HydrophobicContact CD1-CG 4.32Å; Y502-K507 WeakPolarHBondContact O-CE 3.32Å
503	T	98	Very high	97	Very high	67 Å²	67	51.3 Å²	51.3	41%	0.411	26%	0.257	S	S	.	.			trans	-69.6	159.6	174.6	64.8	0	0	0	0	111.9	A505 E506 K507	T503-A505 VanDerWaalsContact C-N 3.29Å; T503-A505 PolarHBondContact O-N 2.74Å; T503-E506 PolarHBondContact N-OE2 2.89Å; T503-E506 WeakPolarHBondContact O-CB 3.39Å; T503-E506 PolarHBondContact O-N 3.1Å; T503-E506 VanDerWaalsContact O-N 3.12Å; T503-E506 WeakPolarHBondContact OG1-CB 3.17Å; T503-E506 WeakPolarHBondContact OG1-CG 3.26Å; T503-E506 PolarHBondContact OG1-N 3.14Å; T503-E506 PolarHBondContact OG1-OE2 3.17Å; T503-K507 WeakPolarHBondContact O-CG 3.45Å; T503-K507 PolarHBondContact O-N 2.88Å
504	E	97.7	Very high	97	Very high	114 Å²	114	50.4 Å²	50.4	53%	0.533	25%	0.252	S	S	.	.	H	α-helix	trans	-61.2	-37.8	175.6	-69.9	-54.3	129.2	0	0	112.4	E506 K507 D508	E504-E506 PolarHBondContact O-N 3.17Å; E504-K507 WeakPolarHBondContact O-CB 3.43Å; E504-K507 PolarHBondContact O-N 3.07Å; E504-K507 IonicContact OE1-NZ 3.22Å; E504-K507 PolarHBondContact OE1-NZ 3.42Å; E504-D508 PolarHBondContact O-N 3.01Å
505	A	97.8	Very high	97	Very high	43 Å²	43	52 Å²	52	36%	0.355	26%	0.263	S	S	.	.	H	α-helix	trans	-61.6	-33.5	175.8	0	0	0	0	0	112.3	T503 D508 L509 A553	T503-A505 VanDerWaalsContact C-N 3.29Å; T503-A505 PolarHBondContact O-N 2.74Å; A505-D508 PolarHBondContact O-N 3.19Å; A505-L509 WeakPolarHBondContact O-CB 3.42Å; A505-L509 PolarHBondContact O-N 3.42Å; A505-A553 HydrophobicContact CB-CB 3.96Å
506	E	98.4	Very high	97.1	Very high	2 Å²	2	51.6 Å²	51.6	1%	0.009	26%	0.261	C	S	.	.	H	α-helix	trans	-75.4	-34.8	175.6	-76	172.6	129.4	0	0	113.3	H468 S470 S471 F489 Y502 T503 E504 D508 L509 S510 A553	H468-E506 IonicContact CD2-OE1 2.76Å; H468-E506 IonicContact CE1-OE1 3.47Å; H468-E506 VanDerWaalsContact NE2-CG 3.32Å; H468-E506 WeakPolarHBondContact NE2-CG 3.49Å; H468-E506 IonicContact NE2-OE1 3.41Å; H468-E506 PolarHBondContact NE2-OE1 2.69Å; S470-E506 VanDerWaalsContact CA-OE1 3.29Å; S470-E506 WeakPolarHBondContact CA-OE1 3.37Å; S471-E506 VanDerWaalsContact CB-OE2 3.27Å; S471-E506 WeakPolarHBondContact CB-OE2 3.27Å; S471-E506 PolarHBondContact N-OE1 3.21Å; S471-E506 PolarHBondContact OG-OE1 3.22Å; S471-E506 PolarHBondContact OG-OE2 3.36Å; F489-E506 HydrophobicContact CE1-CB 3.87Å; F489-E506 HydrophobicContact CE1-CG 3.94Å; F489-E506 HydrophobicContact CZ-CG 4.31Å; Y502-E506 HydrophobicContact CD1-CB 3.88Å; Y502-E506 HydrophobicContact CD1-CG 4.32Å; T503-E506 PolarHBondContact N-OE2 2.89Å; T503-E506 WeakPolarHBondContact O-CB 3.39Å; T503-E506 PolarHBondContact O-N 3.1Å; T503-E506 VanDerWaalsContact O-N 3.12Å; T503-E506 WeakPolarHBondContact OG1-CB 3.17Å; T503-E506 WeakPolarHBondContact OG1-CG 3.26Å; T503-E506 PolarHBondContact OG1-N 3.14Å; T503-E506 PolarHBondContact OG1-OE2 3.17Å; E504-E506 PolarHBondContact O-N 3.17Å; E506-D508 VanDerWaalsContact C-N 3.28Å; E506-D508 PolarHBondContact O-N 3.14Å; E506-L509 PolarHBondContact O-N 2.83Å; E506-S510 WeakPolarHBondContact O-CB 3.32Å; E506-S510 PolarHBondContact O-N 3.15Å; E506-A553 HydrophobicContact CG-CB 4.33Å
507	K	98.1	Very high	97.2	Very high	31 Å²	31	50.1 Å²	50.1	14%	0.135	25%	0.253	C	S	.	.	H	α-helix	trans	-61.3	-41.4	170	-65.7	175	-168.5	169.3	0	110.6	P494 L495 Y502 T503 E504 S510 R511	P494-K507 HydrophobicContact CB-CG 4.15Å; P494-K507 WeakPolarHBondContact O-CG 3.41Å; L495-K507 HydrophobicContact CD2-CB 3.89Å; L495-K507 HydrophobicContact CD2-CG 4.16Å; Y502-K507 WeakPolarHBondContact O-CE 3.32Å; T503-K507 WeakPolarHBondContact O-CG 3.45Å; T503-K507 PolarHBondContact O-N 2.88Å; E504-K507 WeakPolarHBondContact O-CB 3.43Å; E504-K507 PolarHBondContact O-N 3.07Å; E504-K507 IonicContact OE1-NZ 3.22Å; E504-K507 PolarHBondContact OE1-NZ 3.42Å; K507-S510 PolarHBondContact O-N 3.06Å; K507-R511 WeakPolarHBondContact O-CG 3.15Å; K507-R511 PolarHBondContact O-N 3.39Å
508	D	97.2	Very high	97.4	Very high	85 Å²	85	45.1 Å²	45.1	46%	0.455	23%	0.228	S	C	.	.	H	α-helix	trans	-67.5	-40.3	174.9	-73.7	-18.4	0	0	0	112.6	E504 A505 E506 S510 R511 R512	E504-D508 PolarHBondContact O-N 3.01Å; A505-D508 PolarHBondContact O-N 3.19Å; E506-D508 VanDerWaalsContact C-N 3.28Å; E506-D508 PolarHBondContact O-N 3.14Å; D508-S510 VanDerWaalsContact C-N 3.34Å; D508-S510 PolarHBondContact O-N 3.42Å; D508-R511 PolarHBondContact O-N 3.03Å; D508-R511 IonicContact OD1-CZ 3.54Å; D508-R511 IonicContact OD1-NH1 2.62Å; D508-R511 PolarHBondContact OD1-NH1 3.49Å; D508-R512 PolarHBondContact O-N 2.94Å
509	L	97.9	Very high	97.6	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-58.8	-45	171.7	178.4	60.7	0	0	0	111.4	F466 H468 F489 A505 E506 R512 F513 M551 A553	F466-L509 HydrophobicContact CE2-CD2 4.23Å; H468-L509 HydrophobicContact CB-CD2 3.99Å; F489-L509 HydrophobicContact CD1-CB 4.24Å; F489-L509 HydrophobicContact CD1-CD2 3.83Å; F489-L509 HydrophobicContact CD1-CG 3.93Å; F489-L509 HydrophobicContact CE1-CB 4.47Å; F489-L509 HydrophobicContact CE1-CD2 3.78Å; F489-L509 HydrophobicContact CE1-CG 4.3Å; F489-L509 HydrophobicContact CG-CD2 4.36Å; F489-L509 HydrophobicContact CG-CG 4.49Å; F489-L509 HydrophobicContact CZ-CD2 4.25Å; A505-L509 WeakPolarHBondContact O-CB 3.42Å; A505-L509 PolarHBondContact O-N 3.42Å; E506-L509 PolarHBondContact O-N 2.83Å; L509-R512 WeakPolarHBondContact O-CB 3.47Å; L509-R512 PolarHBondContact O-N 3.29Å; L509-F513 HydrophobicContact CD1-CD2 3.84Å; L509-F513 HydrophobicContact CD1-CE2 3.69Å; L509-F513 HydrophobicContact CD2-CE2 4.25Å; L509-F513 HydrophobicContact CG-CD2 3.87Å; L509-F513 HydrophobicContact CG-CE2 3.86Å; L509-F513 WeakPolarHBondContact O-CD2 3.34Å; L509-F513 PolarHBondContact O-N 3.35Å; L509-M551 HydrophobicContact CD1-CE 4.21Å; L509-A553 HydrophobicContact CB-CB 4.18Å; L509-A553 HydrophobicContact CD2-CB 4.12Å
510	S	98.3	Very high	97.9	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-62.9	-42.9	177.1	176.9	0	0	0	0	112.4	F489 G492 E506 K507 D508 R512 F513 M514	F489-S510 WeakPolarHBondContact O-CA 3.31Å; F489-S510 WeakPolarHBondContact O-CB 3.44Å; F489-S510 PolarHBondContact O-OG 3.13Å; G492-S510 WeakPolarHBondContact CA-OG 3.46Å; E506-S510 WeakPolarHBondContact O-CB 3.32Å; E506-S510 PolarHBondContact O-N 3.15Å; K507-S510 PolarHBondContact O-N 3.06Å; D508-S510 VanDerWaalsContact C-N 3.34Å; D508-S510 PolarHBondContact O-N 3.42Å; S510-R512 VanDerWaalsContact C-N 3.28Å; S510-R512 PolarHBondContact O-N 3.37Å; S510-F513 PolarHBondContact O-N 3.27Å; S510-M514 WeakPolarHBondContact O-CG 3.3Å; S510-M514 PolarHBondContact O-N 3.21Å
511	R	97.7	Very high	98.1	Very high	92 Å²	92	29 Å²	29	35%	0.347	16%	0.16	S	C	.	.	H	α-helix	trans	-58.1	-41	172.9	-70.6	174.5	-169.5	119.2	2.7	111.8	L495 K507 D508 S515	L495-R511 HydrophobicContact CD1-CG 4.35Å; L495-R511 HydrophobicContact CD2-CG 4.41Å; K507-R511 WeakPolarHBondContact O-CG 3.15Å; K507-R511 PolarHBondContact O-N 3.39Å; D508-R511 PolarHBondContact O-N 3.03Å; D508-R511 IonicContact OD1-CZ 3.54Å; D508-R511 IonicContact OD1-NH1 2.62Å; D508-R511 PolarHBondContact OD1-NH1 3.49Å; R511-S515 WeakPolarHBondContact O-CB 3.43Å; R511-S515 PolarHBondContact O-N 3.34Å; R511-S515 PolarHBondContact O-OG 3.27Å; R511-S515 VanDerWaalsContact O-OG 3.04Å
512	R	97.2	Very high	98.1	Very high	47 Å²	47	27.1 Å²	27.1	18%	0.177	14%	0.137	C	C	.	.	H	α-helix	trans	-63.4	-48.9	175.1	-75.3	-171.9	-66.1	160.1	-3	112.1	D508 L509 S510 M514 S515 Y516 E537 S552 N556	D508-R512 PolarHBondContact O-N 2.94Å; L509-R512 WeakPolarHBondContact O-CB 3.47Å; L509-R512 PolarHBondContact O-N 3.29Å; S510-R512 VanDerWaalsContact C-N 3.28Å; S510-R512 PolarHBondContact O-N 3.37Å; R512-M514 PolarHBondContact O-N 3.44Å; R512-S515 PolarHBondContact O-N 2.89Å; R512-Y516 HydrophobicContact CB-CD2 4.32Å; R512-Y516 HydrophobicContact CB-CE2 4.02Å; R512-Y516 WeakPolarHBondContact O-CB 3.09Å; R512-Y516 WeakPolarHBondContact O-CD2 3.25Å; R512-Y516 PolarHBondContact O-N 3.14Å; R512-E537 IonicContact CZ-OE2 2.7Å; R512-E537 IonicContact NH1-OE2 3.89Å; R512-E537 PolarHBondContact NH1-OE2 2.84Å; R512-S552 PolarHBondContact NH2-O 3.07Å; R512-N556 PolarHBondContact NH1-OD1 3.49Å
513	F	98.2	Very high	98.1	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-53.5	-54.6	175.7	-93.6	-74.3	0	0	0	111.4	F466 E486 F489 I490 L509 S510 S515 Y516 W517 M551	F466-F513 AromaticContact CD2-CE2 3.9Å; F466-F513 HydrophobicContact CD2-CE2 3.9Å; F466-F513 AromaticContact CD2-CZ 3.63Å; F466-F513 HydrophobicContact CD2-CZ 3.63Å; F466-F513 AromaticContact CE2-CE2 3.96Å; F466-F513 HydrophobicContact CE2-CE2 3.96Å; F466-F513 HydrophobicContact CE2-CZ 4.1Å; F466-F513 HydrophobicContact CG-CZ 4.48Å; E486-F513 HydrophobicContact CB-CZ 4.22Å; F489-F513 HydrophobicContact CB-CB 4.44Å; F489-F513 HydrophobicContact CB-CD2 3.49Å; F489-F513 VanDerWaalsContact CB-CD2 3.49Å; F489-F513 HydrophobicContact CB-CE2 3.91Å; F489-F513 HydrophobicContact CB-CG 4.11Å; F489-F513 HydrophobicContact CG-CD2 4.31Å; F489-F513 HydrophobicContact CG-CE2 4.38Å; I490-F513 HydrophobicContact CD1-CD1 4.26Å; I490-F513 HydrophobicContact CD1-CE1 4.43Å; I490-F513 HydrophobicContact CG1-CB 4.23Å; I490-F513 HydrophobicContact CG1-CD1 3.56Å; I490-F513 HydrophobicContact CG1-CE1 4.14Å; I490-F513 HydrophobicContact CG1-CG 4.09Å; L509-F513 HydrophobicContact CD1-CD2 3.84Å; L509-F513 HydrophobicContact CD1-CE2 3.69Å; L509-F513 HydrophobicContact CD2-CE2 4.25Å; L509-F513 HydrophobicContact CG-CD2 3.87Å; L509-F513 HydrophobicContact CG-CE2 3.86Å; L509-F513 WeakPolarHBondContact O-CD2 3.34Å; L509-F513 PolarHBondContact O-N 3.35Å; S510-F513 PolarHBondContact O-N 3.27Å; F513-S515 VanDerWaalsContact C-N 3.35Å; F513-S515 PolarHBondContact O-N 2.8Å; F513-Y516 PolarHBondContact O-N 2.96Å; F513-W517 AromaticContact CD1-CE3 3.93Å; F513-W517 HydrophobicContact CD1-CE3 3.93Å; F513-W517 AromaticContact CD1-CH2 3.66Å; F513-W517 HydrophobicContact CD1-CH2 3.66Å; F513-W517 HydrophobicContact CD1-CZ2 4.41Å; F513-W517 AromaticContact CD1-CZ3 3.39Å; F513-W517 HydrophobicContact CD1-CZ3 3.39Å; F513-W517 AromaticContact CE1-CH2 3.63Å; F513-W517 HydrophobicContact CE1-CH2 3.63Å; F513-W517 HydrophobicContact CE1-CZ2 4.48Å; F513-W517 AromaticContact CE1-CZ3 3.75Å; F513-W517 HydrophobicContact CE1-CZ3 3.75Å; F513-W517 WeakPolarHBondContact O-CB 3.46Å; F513-W517 PolarHBondContact O-N 3.06Å; F513-M551 HydrophobicContact CB-CE 4.39Å; F513-M551 HydrophobicContact CD1-CE 3.58Å; F513-M551 HydrophobicContact CD2-CE 3.52Å; F513-M551 HydrophobicContact CE1-CB 4.38Å; F513-M551 HydrophobicContact CE1-CE 3.61Å; F513-M551 HydrophobicContact CE1-CG 4.29Å; F513-M551 HydrophobicContact CE2-CB 4.08Å; F513-M551 HydrophobicContact CE2-CE 3.56Å; F513-M551 HydrophobicContact CG-CE 3.54Å; F513-M551 HydrophobicContact CZ-CB 3.66Å; F513-M551 HydrophobicContact CZ-CE 3.6Å; F513-M551 HydrophobicContact CZ-CG 4.04Å
514	M	98.5	Very high	98.1	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-58.3	-45.7	-179.5	-69.6	-164.3	-70.3	0	0	112.2	I165 L166 Q169 Q170 I490 L495 S510 R512 A518	I165-M514 HydrophobicContact CG2-CE 4.29Å; I165-M514 HydrophobicContact CG2-SD 4.04Å; L166-M514 HydrophobicContact CB-SD 4.28Å; L166-M514 HydrophobicContact CD1-CB 3.83Å; L166-M514 HydrophobicContact CD1-CG 3.75Å; L166-M514 HydrophobicContact CD1-SD 4.19Å; Q169-M514 HydrophobicContact CB-CE 4.31Å; Q169-M514 HydrophobicContact CB-SD 4.39Å; Q169-M514 HydrophobicContact CG-CE 3.93Å; Q170-M514 HydrophobicContact CG-CB 3.85Å; I490-M514 VanDerWaalsContact O-CG 3.27Å; I490-M514 WeakPolarHBondContact O-CG 3.46Å; L495-M514 HydrophobicContact CD1-CE 3.4Å; L495-M514 HydrophobicContact CG-CE 4.37Å; S510-M514 WeakPolarHBondContact O-CG 3.3Å; S510-M514 PolarHBondContact O-N 3.21Å; R512-M514 PolarHBondContact O-N 3.44Å; M514-A518 VanDerWaalsContact O-CB 3.25Å; M514-A518 WeakPolarHBondContact O-CB 3.27Å; M514-A518 PolarHBondContact O-N 3.13Å
515	S	98.1	Very high	98.2	Very high	33 Å²	33	21.5 Å²	21.5	23%	0.231	11%	0.111	C	C	.	.	H	α-helix	trans	-63.8	-46.2	179	-66.9	0	0	0	0	111.7	Q170 R511 R512 F513 A518 N519	Q170-S515 PolarHBondContact NE2-OG 2.85Å; R511-S515 WeakPolarHBondContact O-CB 3.43Å; R511-S515 PolarHBondContact O-N 3.34Å; R511-S515 PolarHBondContact O-OG 3.27Å; R511-S515 VanDerWaalsContact O-OG 3.04Å; R512-S515 PolarHBondContact O-N 2.89Å; F513-S515 VanDerWaalsContact C-N 3.35Å; F513-S515 PolarHBondContact O-N 2.8Å; S515-A518 PolarHBondContact O-N 3.42Å; S515-N519 WeakPolarHBondContact O-CB 3.29Å; S515-N519 PolarHBondContact O-N 3.01Å; S515-N519 PolarHBondContact O-ND2 3.42Å; S515-N519 PolarHBondContact O-OD1 3.41Å
516	Y	98.6	Very high	98.2	Very high	4 Å²	4	19.4 Å²	19.4	2%	0.016	9%	0.094	C	C	.	.	H	α-helix	trans	-62.5	-45.2	178.4	-69.4	-42.8	0	0	0	112.3	R512 F513 F520 P526 T535 E537 W539 L549 M551	R512-Y516 HydrophobicContact CB-CD2 4.32Å; R512-Y516 HydrophobicContact CB-CE2 4.02Å; R512-Y516 WeakPolarHBondContact O-CB 3.09Å; R512-Y516 WeakPolarHBondContact O-CD2 3.25Å; R512-Y516 PolarHBondContact O-N 3.14Å; F513-Y516 PolarHBondContact O-N 2.96Å; Y516-F520 VanDerWaalsContact O-CB 3.28Å; Y516-F520 WeakPolarHBondContact O-CB 3.22Å; Y516-F520 PolarHBondContact O-N 2.68Å; Y516-P526 HydrophobicContact CD1-CB 3.93Å; Y516-P526 WeakPolarHBondContact CD1-O 3.5Å; Y516-P526 HydrophobicContact CG-CB 4.28Å; Y516-T535 HydrophobicContact CD1-CG2 4.12Å; Y516-T535 HydrophobicContact CE1-CG2 3.78Å; Y516-E537 WeakPolarHBondContact OH-CB 3.31Å; Y516-E537 PolarHBondContact OH-O 3.09Å; Y516-E537 VanDerWaalsContact OH-O 3.06Å; Y516-W539 HydrophobicContact CD1-CE3 4.16Å; Y516-W539 AromaticContact CD2-CE3 3.99Å; Y516-W539 HydrophobicContact CD2-CE3 3.99Å; Y516-W539 HydrophobicContact CD2-CZ3 4.02Å; Y516-W539 HydrophobicContact CE2-CE3 4.39Å; Y516-W539 AromaticContact CG-CE3 3.88Å; Y516-W539 HydrophobicContact CG-CE3 3.88Å; Y516-W539 AromaticContact CG-CZ3 4Å; Y516-W539 HydrophobicContact CG-CZ3 4Å; Y516-L549 HydrophobicContact CD2-CD2 4.33Å; Y516-L549 HydrophobicContact CE2-CD2 3.66Å; Y516-M551 HydrophobicContact CD2-CE 3.97Å; Y516-M551 HydrophobicContact CD2-SD 4.17Å; Y516-M551 HydrophobicContact CE2-CE 4.24Å; Y516-M551 HydrophobicContact CE2-SD 4.07Å
517	W	98.8	Very high	98.2	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-63.4	-46.6	178.9	-98.6	-120.7	0	0	0	111.4	M143 I253 Q255 L353 Y464 I490 F513 F520 A521 W539	M143-W517 HydrophobicContact CE-CB 3.83Å; M143-W517 HydrophobicContact CE-CG 4.24Å; I253-W517 VanDerWaalsContact CD1-CD1 3.41Å; I253-W517 HydrophobicContact CD1-CD2 4.46Å; I253-W517 HydrophobicContact CD1-CG 3.91Å; I253-W517 HydrophobicContact CG2-CZ2 4.06Å; Q255-W517 HydrophobicContact CG-CZ2 4.12Å; L353-W517 HydrophobicContact CD1-CE3 4.38Å; L353-W517 HydrophobicContact CD1-CZ3 4.44Å; L353-W517 HydrophobicContact CD2-CH2 3.93Å; L353-W517 HydrophobicContact CD2-CZ2 4Å; L353-W517 HydrophobicContact CD2-CZ3 4.4Å; Y464-W517 AromaticContact CD1-CH2 3.71Å; Y464-W517 HydrophobicContact CD1-CH2 3.71Å; Y464-W517 HydrophobicContact CD1-CZ2 4.45Å; Y464-W517 AromaticContact CE1-CH2 3.46Å; Y464-W517 HydrophobicContact CE1-CH2 3.46Å; Y464-W517 VanDerWaalsContact CE1-CH2 3.46Å; Y464-W517 AromaticContact CE1-CZ2 3.81Å; Y464-W517 HydrophobicContact CE1-CZ2 3.81Å; Y464-W517 HydrophobicContact CG-CH2 4.44Å; I490-W517 HydrophobicContact CD1-CH2 4.34Å; I490-W517 HydrophobicContact CD1-CZ2 3.65Å; I490-W517 HydrophobicContact CG1-CD2 4.5Å; I490-W517 HydrophobicContact CG1-CZ2 4.26Å; I490-W517 HydrophobicContact CG2-CG 4.29Å; F513-W517 AromaticContact CD1-CE3 3.93Å; F513-W517 HydrophobicContact CD1-CE3 3.93Å; F513-W517 AromaticContact CD1-CH2 3.66Å; F513-W517 HydrophobicContact CD1-CH2 3.66Å; F513-W517 HydrophobicContact CD1-CZ2 4.41Å; F513-W517 AromaticContact CD1-CZ3 3.39Å; F513-W517 HydrophobicContact CD1-CZ3 3.39Å; F513-W517 AromaticContact CE1-CH2 3.63Å; F513-W517 HydrophobicContact CE1-CH2 3.63Å; F513-W517 HydrophobicContact CE1-CZ2 4.48Å; F513-W517 AromaticContact CE1-CZ3 3.75Å; F513-W517 HydrophobicContact CE1-CZ3 3.75Å; F513-W517 WeakPolarHBondContact O-CB 3.46Å; F513-W517 PolarHBondContact O-N 3.06Å; W517-F520 PolarHBondContact O-N 3.31Å; W517-A521 WeakPolarHBondContact O-CB 3.22Å; W517-A521 PolarHBondContact O-N 2.97Å; W517-W539 HydrophobicContact CZ3-CH2 4.19Å; W517-W539 HydrophobicContact CZ3-CZ3 4.2Å
518	A	98.7	Very high	98.2	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-69.2	-38.4	179.7	0	0	0	0	0	112.9	Q170 V172 M514 S515 A521 R522	Q170-A518 HydrophobicContact CB-CB 3.45Å; Q170-A518 VanDerWaalsContact CB-CB 3.45Å; Q170-A518 HydrophobicContact CG-CB 3.76Å; V172-A518 HydrophobicContact CG1-CB 3.8Å; M514-A518 VanDerWaalsContact O-CB 3.25Å; M514-A518 WeakPolarHBondContact O-CB 3.27Å; M514-A518 PolarHBondContact O-N 3.13Å; S515-A518 PolarHBondContact O-N 3.42Å; A518-A521 PolarHBondContact O-N 2.76Å; A518-R522 VanDerWaalsContact O-CB 3.3Å; A518-R522 WeakPolarHBondContact O-CB 3.34Å; A518-R522 PolarHBondContact O-N 2.82Å
519	N	98.7	Very high	98.2	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.005	9%	0.086	C	C	.	.	H	α-helix	trans	-63.8	-43.6	174.6	-74.4	-7.7	0	0	0	111.4	S515 R522 T523 N525 P526 I528 N529	S515-N519 WeakPolarHBondContact O-CB 3.29Å; S515-N519 PolarHBondContact O-N 3.01Å; S515-N519 PolarHBondContact O-ND2 3.42Å; S515-N519 PolarHBondContact O-OD1 3.41Å; N519-R522 PolarHBondContact O-N 2.94Å; N519-R522 PolarHBondContact OD1-NH1 2.57Å; N519-T523 PolarHBondContact O-N 2.99Å; N519-T523 PolarHBondContact O-OG1 3.38Å; N519-N525 CarbonylContact C-O 3.09Å; N519-P526 WeakPolarHBondContact CB-O 3.32Å; N519-P526 PolarHBondContact ND2-O 3.32Å; N519-P526 VanDerWaalsContact ND2-O 3.11Å; N519-I528 VanDerWaalsContact CB-O 3.31Å; N519-I528 WeakPolarHBondContact CB-O 3.35Å; N519-I528 PolarHBondContact ND2-O 2.96Å; N519-I528 PolarHBondContact OD1-O 2.96Å; N519-N529 PolarHBondContact ND2-OD1 3.42Å
520	F	98.8	Very high	97.9	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-61.4	-45.1	173.2	179.6	-96.7	0	0	0	111.3	T225 R251 A252 I253 E351 L353 Y462 Y516 W517 R522 T523 G524 P526	T225-F520 HydrophobicContact CG2-CD1 4.28Å; T225-F520 HydrophobicContact CG2-CE1 4.22Å; R251-F520 HydrophobicContact CB-CE1 3.9Å; R251-F520 HydrophobicContact CB-CZ 4.23Å; R251-F520 WeakPolarHBondContact CD-O 2.97Å; A252-F520 WeakPolarHBondContact O-CE1 2.99Å; I253-F520 HydrophobicContact CD1-CD1 3.82Å; I253-F520 HydrophobicContact CD1-CE1 4.3Å; I253-F520 HydrophobicContact CG1-CD1 3.71Å; I253-F520 HydrophobicContact CG1-CE1 3.67Å; E351-F520 HydrophobicContact CB-CE2 3.75Å; E351-F520 HydrophobicContact CB-CZ 3.93Å; L353-F520 HydrophobicContact CB-CD1 4.22Å; L353-F520 HydrophobicContact CB-CD2 4.26Å; L353-F520 HydrophobicContact CB-CE1 4.03Å; L353-F520 HydrophobicContact CB-CE2 4.07Å; L353-F520 HydrophobicContact CB-CG 4.32Å; L353-F520 HydrophobicContact CB-CZ 3.95Å; L353-F520 HydrophobicContact CD1-CB 4.23Å; L353-F520 HydrophobicContact CD1-CD1 4.47Å; L353-F520 HydrophobicContact CD1-CD2 4.42Å; L353-F520 HydrophobicContact CD1-CG 4.12Å; Y462-F520 HydrophobicContact CD2-CD2 4.38Å; Y462-F520 HydrophobicContact CD2-CE2 4.29Å; Y516-F520 VanDerWaalsContact O-CB 3.28Å; Y516-F520 WeakPolarHBondContact O-CB 3.22Å; Y516-F520 PolarHBondContact O-N 2.68Å; W517-F520 PolarHBondContact O-N 3.31Å; F520-R522 VanDerWaalsContact C-N 3.26Å; F520-R522 PolarHBondContact O-N 3.23Å; F520-T523 PolarHBondContact O-N 3.43Å; F520-G524 WeakPolarHBondContact CD2-O 3.35Å; F520-G524 VanDerWaalsContact O-CA 3.29Å; F520-G524 WeakPolarHBondContact O-CA 3.09Å; F520-G524 PolarHBondContact O-N 2.82Å; F520-P526 HydrophobicContact CB-CB 4.39Å
521	A	98.7	Very high	97.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-61	-35.3	177.3	0	0	0	0	0	112.8	M143 T225 R251 W517 A518	M143-A521 HydrophobicContact CG-CB 3.58Å; M143-A521 HydrophobicContact SD-CB 3.93Å; T225-A521 HydrophobicContact CG2-CB 4.29Å; T225-A521 VanDerWaalsContact OG1-CA 3.31Å; T225-A521 WeakPolarHBondContact OG1-CA 3.36Å; T225-A521 PolarHBondContact OG1-O 3.4Å; R251-A521 PolarHBondContact NH1-O 3Å; W517-A521 WeakPolarHBondContact O-CB 3.22Å; W517-A521 PolarHBondContact O-N 2.97Å; A518-A521 PolarHBondContact O-N 2.76Å
522	R	97.7	Very high	97.5	Very high	39 Å²	39	26 Å²	26	15%	0.147	15%	0.152	C	C	.	.	H	α-helix	trans	-80.2	-37.8	-179.2	-167.8	179.9	-54	100.6	1.5	113.6	P141 Q170 A518 N519 F520	P141-R522 HydrophobicContact CB-CB 4.4Å; P141-R522 HydrophobicContact CG-CB 4.14Å; P141-R522 HydrophobicContact CG-CG 4.25Å; Q170-R522 PolarHBondContact O-NH2 2.73Å; A518-R522 VanDerWaalsContact O-CB 3.3Å; A518-R522 WeakPolarHBondContact O-CB 3.34Å; A518-R522 PolarHBondContact O-N 2.82Å; N519-R522 PolarHBondContact O-N 2.94Å; N519-R522 PolarHBondContact OD1-NH1 2.57Å; F520-R522 VanDerWaalsContact C-N 3.26Å; F520-R522 PolarHBondContact O-N 3.23Å
523	T	97.8	Very high	97.5	Very high	46 Å²	46	26 Å²	26	28%	0.282	16%	0.16	S	C	.	.	H	α-helix	trans	-126.2	-17.9	-165.7	71.1	0	0	0	0	114.4	R251 N519 F520 N525 I528	R251-T523 PolarHBondContact NH2-O 2.91Å; N519-T523 PolarHBondContact O-N 2.99Å; N519-T523 PolarHBondContact O-OG1 3.38Å; F520-T523 PolarHBondContact O-N 3.43Å; T523-N525 PolarHBondContact OG1-N 2.87Å; T523-N525 VanDerWaalsContact OG1-N 3.07Å; T523-N525 PolarHBondContact OG1-O 3.4Å; T523-I528 HydrophobicContact CG2-CB 4.16Å; T523-I528 HydrophobicContact CG2-CG2 4.11Å
524	G	98.2	Very high	97.5	Very high	3 Å²	3	33 Å²	33	3%	0.031	19%	0.186	C	C	.	.	S	Bend	trans	80.9	1.3	-168.4	0	0	0	0	0	113.9	R251 F520	R251-G524 VanDerWaalsContact CZ-N 3.32Å; R251-G524 VanDerWaalsContact NE-N 3.19Å; F520-G524 WeakPolarHBondContact CD2-O 3.35Å; F520-G524 VanDerWaalsContact O-CA 3.29Å; F520-G524 WeakPolarHBondContact O-CA 3.09Å; F520-G524 PolarHBondContact O-N 2.82Å
525	N	98.4	Very high	97.4	Very high	25 Å²	25	33.4 Å²	33.4	13%	0.134	19%	0.189	C	C	.	.			trans	-129.9	119.1	177.3	-175.9	-20.1	0	0	0	109.1	Y462 N519 T523 N527 I528	Y462-N525 PolarHBondContact OH-ND2 3.47Å; Y462-N525 PolarHBondContact OH-OD1 2.88Å; N519-N525 CarbonylContact C-O 3.09Å; T523-N525 PolarHBondContact OG1-N 2.87Å; T523-N525 VanDerWaalsContact OG1-N 3.07Å; T523-N525 PolarHBondContact OG1-O 3.4Å; N525-N527 PolarHBondContact O-N 3.34Å; N525-N527 VanDerWaalsContact OD1-CB 3.3Å; N525-N527 WeakPolarHBondContact OD1-CB 3.47Å; N525-N527 PolarHBondContact OD1-N 3.3Å; N525-N527 PolarHBondContact OD1-ND2 2.88Å; N525-I528 HydrophobicContact CB-CD1 3.89Å; N525-I528 HydrophobicContact CB-CG1 4.05Å; N525-I528 PolarHBondContact O-N 2.95Å
526	P	98.6	Very high	97.1	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-19.7	-178.4	27.7	-34.4	0	0	0	112.4	Y462 Y516 N519 F520 W539	Y462-P526 HydrophobicContact CD1-CG 3.69Å; Y462-P526 HydrophobicContact CD2-CG 4.19Å; Y462-P526 HydrophobicContact CE1-CG 3.94Å; Y462-P526 VanDerWaalsContact CE2-CD 3.44Å; Y462-P526 HydrophobicContact CE2-CG 4.39Å; Y462-P526 HydrophobicContact CG-CG 3.84Å; Y516-P526 HydrophobicContact CD1-CB 3.93Å; Y516-P526 WeakPolarHBondContact CD1-O 3.5Å; Y516-P526 HydrophobicContact CG-CB 4.28Å; N519-P526 WeakPolarHBondContact CB-O 3.32Å; N519-P526 PolarHBondContact ND2-O 3.32Å; N519-P526 VanDerWaalsContact ND2-O 3.11Å; F520-P526 HydrophobicContact CB-CB 4.39Å; P526-W539 HydrophobicContact CB-CD2 4.46Å; P526-W539 HydrophobicContact CB-CE3 3.8Å; P526-W539 HydrophobicContact CB-CZ3 4.24Å; P526-W539 HydrophobicContact CG-CB 4.13Å; P526-W539 HydrophobicContact CG-CD2 3.92Å; P526-W539 HydrophobicContact CG-CE3 3.78Å; P526-W539 HydrophobicContact CG-CG 4.12Å; P526-W539 HydrophobicContact CG-CZ3 4.47Å
527	N	98.4	Very high	96.8	Very high	4 Å²	4	40.1 Å²	40.1	2%	0.021	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-12.9	-174.2	-53.7	-74.4	0	0	0	115	N525 W534 T535 L538 W539	N525-N527 PolarHBondContact O-N 3.34Å; N525-N527 VanDerWaalsContact OD1-CB 3.3Å; N525-N527 WeakPolarHBondContact OD1-CB 3.47Å; N525-N527 PolarHBondContact OD1-N 3.3Å; N525-N527 PolarHBondContact OD1-ND2 2.88Å; N527-W534 HydrophobicContact CB-CE3 3.44Å; N527-W534 VanDerWaalsContact CB-CE3 3.44Å; N527-W534 HydrophobicContact CB-CZ3 3.62Å; N527-W534 CarbonylContact O-C 3.52Å; N527-W534 VanDerWaalsContact O-CA 3.25Å; N527-W534 WeakPolarHBondContact O-CA 3.36Å; N527-T535 WeakPolarHBondContact CA-OG1 3.31Å; N527-T535 PolarHBondContact O-N 2.9Å; N527-T535 PolarHBondContact OD1-OG1 3.43Å; N527-L538 HydrophobicContact CB-CD2 4.37Å; N527-W539 PolarHBondContact ND2-O 3.4Å; N527-W539 WeakPolarHBondContact OD1-CB 3.39Å; N527-W539 PolarHBondContact OD1-N 3.39Å
528	I	98.2	Very high	96.6	Very high	48 Å²	48	45 Å²	45	25%	0.246	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-98	109.9	-172.5	-56.9	176.7	0	0	0	109.8	N519 T523 N525	N519-I528 VanDerWaalsContact CB-O 3.31Å; N519-I528 WeakPolarHBondContact CB-O 3.35Å; N519-I528 PolarHBondContact ND2-O 2.96Å; N519-I528 PolarHBondContact OD1-O 2.96Å; T523-I528 HydrophobicContact CG2-CB 4.16Å; T523-I528 HydrophobicContact CG2-CG2 4.11Å; N525-I528 HydrophobicContact CB-CD1 3.89Å; N525-I528 HydrophobicContact CB-CG1 4.05Å; N525-I528 PolarHBondContact O-N 2.95Å
529	N	96.5	Very high	96.5	Very high	32 Å²	32	45.1 Å²	45.1	17%	0.171	26%	0.255	C	S	.	.			trans	-70.2	163.8	177.5	-64.9	-37.9	0	0	0	111.9	N519 D531 G532 S533 W534	N519-N529 PolarHBondContact ND2-OD1 3.42Å; N529-D531 WeakPolarHBondContact CB-OD1 3.13Å; N529-D531 PolarHBondContact O-N 3.4Å; N529-D531 VanDerWaalsContact O-N 3.14Å; N529-G532 PolarHBondContact O-N 3.43Å; N529-S533 WeakPolarHBondContact CB-O 3.37Å; N529-S533 WeakPolarHBondContact CB-OG 3.25Å; N529-S533 PolarHBondContact N-O 3.09Å; N529-S533 PolarHBondContact ND2-O 3.2Å; N529-S533 PolarHBondContact ND2-OG 3.14Å; N529-W534 PolarHBondContact ND2-O 3.49Å
530	P	91.9	Very high	96.4	Very high	88 Å²	88	47 Å²	47	57%	0.571	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-30.8	179.6	-23.3	29.7	0	0	0	115.1	G532	P530-G532 VanDerWaalsContact C-N 3.29Å
531	D	93.8	Very high	96.3	Very high	128 Å²	128	50.5 Å²	50.5	68%	0.684	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	1.9	179.4	66.8	-7	0	0	0	113.5	N529 S533	N529-D531 WeakPolarHBondContact CB-OD1 3.13Å; N529-D531 PolarHBondContact O-N 3.4Å; N529-D531 VanDerWaalsContact O-N 3.14Å; D531-S533 VanDerWaalsContact C-N 3.29Å; D531-S533 WeakPolarHBondContact OD1-CB 3.44Å; D531-S533 PolarHBondContact OD1-N 3.2Å; D531-S533 PolarHBondContact OD1-OG 3.05Å; D531-S533 PolarHBondContact OD2-OG 3.16Å
532	G	94.6	Very high	96.2	Very high	47 Å²	47	51 Å²	51	49%	0.485	29%	0.292	S	S	.	.	S	Bend	trans	82.5	-0.8	-176.5	0	0	0	0	0	114.6	N529 P530	N529-G532 PolarHBondContact O-N 3.43Å; P530-G532 VanDerWaalsContact C-N 3.29Å
533	S	97.1	Very high	96	Very high	47 Å²	47	50.4 Å²	50.4	33%	0.329	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-71.1	161.8	171.2	70.4	0	0	0	0	111.4	N529 D531	N529-S533 WeakPolarHBondContact CB-O 3.37Å; N529-S533 WeakPolarHBondContact CB-OG 3.25Å; N529-S533 PolarHBondContact N-O 3.09Å; N529-S533 PolarHBondContact ND2-O 3.2Å; N529-S533 PolarHBondContact ND2-OG 3.14Å; D531-S533 VanDerWaalsContact C-N 3.29Å; D531-S533 WeakPolarHBondContact OD1-CB 3.44Å; D531-S533 PolarHBondContact OD1-N 3.2Å; D531-S533 PolarHBondContact OD1-OG 3.05Å; D531-S533 PolarHBondContact OD2-OG 3.16Å
534	W	96.9	Very high	95.6	Very high	148 Å²	148	56.8 Å²	56.8	56%	0.561	32%	0.322	S	S	*	.	B	Isolated β-bridge	trans	-93.4	149.3	176.9	-71.1	75	0	0	0	111.1	N527 N529 L538	N527-W534 HydrophobicContact CB-CE3 3.44Å; N527-W534 VanDerWaalsContact CB-CE3 3.44Å; N527-W534 HydrophobicContact CB-CZ3 3.62Å; N527-W534 CarbonylContact O-C 3.52Å; N527-W534 VanDerWaalsContact O-CA 3.25Å; N527-W534 WeakPolarHBondContact O-CA 3.36Å; N529-W534 PolarHBondContact ND2-O 3.49Å; W534-L538 HydrophobicContact CB-CD2 4.24Å; W534-L538 HydrophobicContact CD2-CD2 4.29Å; W534-L538 HydrophobicContact CE3-CD2 3.5Å; W534-L538 VanDerWaalsContact CE3-CD2 3.5Å; W534-L538 HydrophobicContact CZ3-CD2 4.24Å
535	T	95.9	Very high	95.4	Very high	9 Å²	9	60.6 Å²	60.6	6%	0.055	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-60.6	146.6	169.9	52.1	0	0	0	0	110.8	Y516 N527 E537	Y516-T535 HydrophobicContact CD1-CG2 4.12Å; Y516-T535 HydrophobicContact CE1-CG2 3.78Å; N527-T535 WeakPolarHBondContact CA-OG1 3.31Å; N527-T535 PolarHBondContact O-N 2.9Å; N527-T535 PolarHBondContact OD1-OG1 3.43Å; T535-E537 VanDerWaalsContact C-N 3.32Å; T535-E537 PolarHBondContact O-N 3.37Å; T535-E537 PolarHBondContact OG1-O 2.93Å
536	P	92.1	Very high	95.2	Very high	141 Å²	141	59.9 Å²	59.9	92%	0.916	34%	0.337	S	S	*	.	S	Bend	trans	-61.4	-39.2	-178.6	-24.2	33.7	0	0	0	113.6
537	E	92.4	Very high	95.2	Very high	37 Å²	37	60.8 Å²	60.8	17%	0.173	34%	0.343	C	S	.	.	S	Bend	trans	-97.8	123.1	171.2	178.5	174.7	-144	0	0	107.9	R512 Y516 T535 L549 G557	R512-E537 IonicContact CZ-OE2 2.7Å; R512-E537 IonicContact NH1-OE2 3.89Å; R512-E537 PolarHBondContact NH1-OE2 2.84Å; Y516-E537 WeakPolarHBondContact OH-CB 3.31Å; Y516-E537 PolarHBondContact OH-O 3.09Å; Y516-E537 VanDerWaalsContact OH-O 3.06Å; T535-E537 VanDerWaalsContact C-N 3.32Å; T535-E537 PolarHBondContact O-N 3.37Å; T535-E537 PolarHBondContact OG1-O 2.93Å; E537-L549 HydrophobicContact CG-CD1 4.1Å; E537-G557 PolarHBondContact OE1-N 2.85Å
538	L	94.8	Very high	95.1	Very high	103 Å²	103	62.2 Å²	62.2	54%	0.539	35%	0.348	S	S	.	.			trans	-88	123.6	-179.7	-67.2	178.7	0	0	0	110.2	N527 W534 P540	N527-L538 HydrophobicContact CB-CD2 4.37Å; W534-L538 HydrophobicContact CB-CD2 4.24Å; W534-L538 HydrophobicContact CD2-CD2 4.29Å; W534-L538 HydrophobicContact CE3-CD2 3.5Å; W534-L538 VanDerWaalsContact CE3-CD2 3.5Å; W534-L538 HydrophobicContact CZ3-CD2 4.24Å; L538-P540 VanDerWaalsContact O-CD 3.3Å; L538-P540 WeakPolarHBondContact O-CD 3.36Å
539	W	97.1	Very high	95.1	Very high	2 Å²	2	59.9 Å²	59.9	1%	0.008	34%	0.336	C	S	.	.			trans	-89.6	105	170.5	-167.9	-18.5	0	0	0	109.7	L353 Y462 S463 Y464 Y516 W517 P526 N527 L549	L353-W539 HydrophobicContact CD1-CH2 3.78Å; L353-W539 HydrophobicContact CD1-CZ2 4.49Å; L353-W539 HydrophobicContact CD1-CZ3 4.1Å; L353-W539 HydrophobicContact CD2-CH2 3.89Å; L353-W539 HydrophobicContact CD2-CZ2 4.36Å; L353-W539 HydrophobicContact CG-CH2 3.87Å; L353-W539 HydrophobicContact CG-CZ2 4.21Å; Y462-W539 AromaticContact CD1-CD1 3.82Å; Y462-W539 HydrophobicContact CD1-CD2 4.5Å; Y462-W539 HydrophobicContact CD1-CG 4.05Å; Y462-W539 WeakPolarHBondContact CE1-O 3.39Å; S463-W539 VanDerWaalsContact C-CZ2 3.41Å; S463-W539 WeakPolarHBondContact O-CZ2 3.41Å; S463-W539 PolarHBondContact O-NE1 3.34Å; Y464-W539 AromaticContact CD1-CH2 3.98Å; Y464-W539 HydrophobicContact CD1-CH2 3.98Å; Y464-W539 HydrophobicContact CD1-CZ2 4.25Å; Y464-W539 HydrophobicContact CG-CH2 4.28Å; Y464-W539 HydrophobicContact CG-CZ2 4.44Å; Y516-W539 HydrophobicContact CD1-CE3 4.16Å; Y516-W539 AromaticContact CD2-CE3 3.99Å; Y516-W539 HydrophobicContact CD2-CE3 3.99Å; Y516-W539 HydrophobicContact CD2-CZ3 4.02Å; Y516-W539 HydrophobicContact CE2-CE3 4.39Å; Y516-W539 AromaticContact CG-CE3 3.88Å; Y516-W539 HydrophobicContact CG-CE3 3.88Å; Y516-W539 AromaticContact CG-CZ3 4Å; Y516-W539 HydrophobicContact CG-CZ3 4Å; W517-W539 HydrophobicContact CZ3-CH2 4.19Å; W517-W539 HydrophobicContact CZ3-CZ3 4.2Å; P526-W539 HydrophobicContact CB-CD2 4.46Å; P526-W539 HydrophobicContact CB-CE3 3.8Å; P526-W539 HydrophobicContact CB-CZ3 4.24Å; P526-W539 HydrophobicContact CG-CB 4.13Å; P526-W539 HydrophobicContact CG-CD2 3.92Å; P526-W539 HydrophobicContact CG-CE3 3.78Å; P526-W539 HydrophobicContact CG-CG 4.12Å; P526-W539 HydrophobicContact CG-CZ3 4.47Å; N527-W539 PolarHBondContact ND2-O 3.4Å; N527-W539 WeakPolarHBondContact OD1-CB 3.39Å; N527-W539 PolarHBondContact OD1-N 3.39Å; W539-L549 HydrophobicContact CB-CD2 4.06Å; W539-L549 HydrophobicContact CD2-CB 3.82Å; W539-L549 HydrophobicContact CD2-CD2 3.65Å; W539-L549 HydrophobicContact CD2-CG 4.38Å; W539-L549 HydrophobicContact CE3-CB 4.5Å; W539-L549 HydrophobicContact CE3-CD2 3.59Å; W539-L549 HydrophobicContact CG-CB 3.81Å; W539-L549 HydrophobicContact CG-CD2 3.87Å; W539-L549 HydrophobicContact CG-CG 4.38Å; W539-L549 HydrophobicContact CZ2-CB 4.47Å; W539-L549 HydrophobicContact CZ3-CD2 4.26Å
540	P	96.2	Very high	95.2	Very high	40 Å²	40	59.1 Å²	59.1	26%	0.26	33%	0.332	S	S	.	.			trans	-70.7	149.9	178.7	30.4	-36	0	0	0	111.5	L538 T547 T558	L538-P540 VanDerWaalsContact O-CD 3.3Å; L538-P540 WeakPolarHBondContact O-CD 3.36Å; P540-T547 HydrophobicContact CB-CG2 4.33Å; P540-T547 HydrophobicContact CG-CG2 3.44Å; P540-T547 VanDerWaalsContact CG-CG2 3.44Å; P540-T558 HydrophobicContact CG-CG2 3.73Å
541	P	97.1	Very high	95.4	Very high	74 Å²	74	54.9 Å²	54.9	48%	0.481	31%	0.305	S	S	.	.			trans	-63.7	146.1	172.5	28.1	-34.1	0	0	0	111	V461 Y462 G543	V461-P541 CarbonylContact O-C 3.57Å; V461-P541 WeakPolarHBondContact O-CA 3.46Å; Y462-P541 HydrophobicContact CE1-CB 4.18Å; P541-G543 PolarHBondContact O-N 3.41Å
542	Y	96.5	Very high	95.6	Very high	10 Å²	10	48.9 Å²	48.9	4%	0.039	27%	0.273	C	S	.	.			trans	-67.7	108.1	172.3	-176.3	-85.9	0	0	0	109.3	T448 A451 Q455 V461 E546 T547	T448-Y542 WeakPolarHBondContact CG2-OH 3.48Å; A451-Y542 HydrophobicContact CB-CD1 4.49Å; A451-Y542 HydrophobicContact CB-CE1 4.16Å; Q455-Y542 HydrophobicContact CB-CD1 4.2Å; Q455-Y542 HydrophobicContact CG-CD1 4.26Å; Q455-Y542 WeakPolarHBondContact CG-O 3.08Å; V461-Y542 HydrophobicContact CB-CD1 4.5Å; V461-Y542 HydrophobicContact CG1-CD1 4.37Å; V461-Y542 HydrophobicContact CG1-CG 4.27Å; V461-Y542 WeakPolarHBondContact O-CB 3.4Å; V461-Y542 PolarHBondContact O-N 3.45Å; Y542-E546 HydrophobicContact CD2-CB 4.38Å; Y542-E546 HydrophobicContact CE1-CB 4.49Å; Y542-E546 HydrophobicContact CE1-CG 4.11Å; Y542-E546 HydrophobicContact CE2-CB 3.6Å; Y542-E546 HydrophobicContact CE2-CG 4.03Å; Y542-E546 WeakPolarHBondContact OH-CG 3.4Å; Y542-T547 WeakPolarHBondContact CD2-O 3.3Å
543	G	93	Very high	95.7	Very high	26 Å²	26	47.5 Å²	47.5	27%	0.268	26%	0.257	S	S	.	.			trans	-112	-160	178.7	0	0	0	0	0	112.8	P541 D545 E546	P541-G543 PolarHBondContact O-N 3.41Å; G543-D545 PolarHBondContact O-N 3.34Å; G543-E546 WeakPolarHBondContact O-CA 3.45Å; G543-E546 PolarHBondContact O-N 2.88Å
544	K	90.6	Very high	95.5	Very high	180 Å²	180	51.3 Å²	51.3	78%	0.783	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-28.1	177.3	-66.1	-176	177.4	-179	0	113.7	E546 R564	K544-E546 PolarHBondContact O-N 3.23Å; K544-R564 PolarHBondContact O-NH2 3.28Å
545	D	93.2	Very high	95.2	Very high	83 Å²	83	48.9 Å²	48.9	44%	0.444	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-4	176.1	-69.6	-0.9	0	0	0	112.5	G543 T547 R560 A561 R564	G543-D545 PolarHBondContact O-N 3.34Å; D545-T547 VanDerWaalsContact C-N 3.27Å; D545-T547 PolarHBondContact O-N 3.39Å; D545-R560 IonicContact OD2-CZ 3.4Å; D545-R560 IonicContact OD2-NH1 3.61Å; D545-R560 PolarHBondContact OD2-NH1 3.09Å; D545-A561 PolarHBondContact O-N 2.82Å; D545-R564 PolarHBondContact O-NH2 3.15Å
546	E	95.3	Very high	94.9	Very high	11 Å²	11	53.8 Å²	53.8	5%	0.051	30%	0.299	C	S	.	.			trans	52.3	46.7	-179	-58.6	177.6	167.8	0	0	111.6	R452 Y542 G543 K544 A561 R564	R452-E546 IonicContact CZ-OE1 2.71Å; R452-E546 IonicContact NE-OE1 2.82Å; R452-E546 PolarHBondContact NE-OE1 3.43Å; R452-E546 IonicContact NH2-OE1 3.63Å; R452-E546 PolarHBondContact NH2-OE1 2.96Å; R452-E546 IonicContact NH2-OE2 3.76Å; Y542-E546 HydrophobicContact CD2-CB 4.38Å; Y542-E546 HydrophobicContact CE1-CB 4.49Å; Y542-E546 HydrophobicContact CE1-CG 4.11Å; Y542-E546 HydrophobicContact CE2-CB 3.6Å; Y542-E546 HydrophobicContact CE2-CG 4.03Å; Y542-E546 WeakPolarHBondContact OH-CG 3.4Å; G543-E546 WeakPolarHBondContact O-CA 3.45Å; G543-E546 PolarHBondContact O-N 2.88Å; K544-E546 PolarHBondContact O-N 3.23Å; E546-A561 HydrophobicContact CB-CB 4.49Å; E546-A561 PolarHBondContact O-N 3.31Å; E546-R564 IonicContact OE1-NE 3.07Å; E546-R564 IonicContact OE1-NH2 2.67Å; E546-R564 IonicContact OE2-CZ 3.25Å; E546-R564 IonicContact OE2-NE 2.76Å; E546-R564 PolarHBondContact OE2-NE 3.45Å; E546-R564 IonicContact OE2-NH2 2.81Å; E546-R564 PolarHBondContact OE2-NH2 2.94Å
547	T	97.3	Very high	95	Very high	19 Å²	19	48.4 Å²	48.4	12%	0.117	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	138.2	179.4	-46.3	0	0	0	0	110.4	P540 Y542 D545 T558 G559	P540-T547 HydrophobicContact CB-CG2 4.33Å; P540-T547 HydrophobicContact CG-CG2 3.44Å; P540-T547 VanDerWaalsContact CG-CG2 3.44Å; Y542-T547 WeakPolarHBondContact CD2-O 3.3Å; D545-T547 VanDerWaalsContact C-N 3.27Å; D545-T547 PolarHBondContact O-N 3.39Å; T547-T558 HydrophobicContact CG2-CG2 4.37Å; T547-G559 WeakPolarHBondContact CA-O 3.47Å; T547-G559 WeakPolarHBondContact CG2-O 3.39Å
548	Y	97.6	Very high	95.2	Very high	33 Å²	33	50 Å²	50	13%	0.129	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	153	175.3	61.1	-90.1	0	0	0	111.1	S463 Y465 I550 T558 G559 R560 A562	S463-Y548 CarbonylContact O-C 3.5Å; S463-Y548 WeakPolarHBondContact O-CA 2.96Å; S463-Y548 WeakPolarHBondContact O-CB 3.44Å; Y465-Y548 VanDerWaalsContact CB-CD2 3.4Å; Y465-Y548 VanDerWaalsContact CB-CE2 3.49Å; Y465-Y548 AromaticContact CD1-CE2 3.99Å; Y465-Y548 HydrophobicContact CD1-CE2 3.99Å; Y465-Y548 HydrophobicContact CG-CD2 4.44Å; Y465-Y548 HydrophobicContact CG-CE2 4.11Å; Y548-I550 HydrophobicContact CD2-CG1 4.38Å; Y548-I550 HydrophobicContact CE2-CG1 3.93Å; Y548-T558 CarbonylContact O-C 3.32Å; Y548-T558 WeakPolarHBondContact O-CA 3.19Å; Y548-T558 VanDerWaalsContact O-CB 3.28Å; Y548-T558 WeakPolarHBondContact O-CB 3.3Å; Y548-G559 VanDerWaalsContact CZ-CA 3.44Å; Y548-G559 PolarHBondContact N-O 3.3Å; Y548-G559 PolarHBondContact O-N 2.65Å; Y548-R560 VanDerWaalsContact CE1-N 3.32Å; Y548-A562 HydrophobicContact CD1-CB 3.94Å; Y548-A562 HydrophobicContact CE1-CB 3.35Å
549	L	97.9	Very high	95.2	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	133.9	172	-174.8	67.7	0	0	0	110	S463 Y464 Y465 Y516 E537 W539 M551 T558	S463-L549 PolarHBondContact O-N 3.07Å; Y464-L549 CarbonylContact C-O 3.59Å; Y464-L549 VanDerWaalsContact CA-O 3.26Å; Y464-L549 WeakPolarHBondContact CA-O 3.2Å; Y465-L549 PolarHBondContact N-O 3.29Å; Y516-L549 HydrophobicContact CD2-CD2 4.33Å; Y516-L549 HydrophobicContact CE2-CD2 3.66Å; E537-L549 HydrophobicContact CG-CD1 4.1Å; W539-L549 HydrophobicContact CB-CD2 4.06Å; W539-L549 HydrophobicContact CD2-CB 3.82Å; W539-L549 HydrophobicContact CD2-CD2 3.65Å; W539-L549 HydrophobicContact CD2-CG 4.38Å; W539-L549 HydrophobicContact CE3-CB 4.5Å; W539-L549 HydrophobicContact CE3-CD2 3.59Å; W539-L549 HydrophobicContact CG-CB 3.81Å; W539-L549 HydrophobicContact CG-CD2 3.87Å; W539-L549 HydrophobicContact CG-CG 4.38Å; W539-L549 HydrophobicContact CZ2-CB 4.47Å; W539-L549 HydrophobicContact CZ3-CD2 4.26Å; L549-M551 HydrophobicContact CD2-SD 3.53Å; L549-M551 VanDerWaalsContact CD2-SD 3.53Å; L549-M551 HydrophobicContact CG-SD 4.08Å; L549-M551 PolarHBondContact O-N 3.48Å; L549-T558 HydrophobicContact CD1-CG2 4.23Å
550	I	97.6	Very high	95.2	Very high	15 Å²	15	53.5 Å²	53.5	8%	0.077	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	114.2	172.3	-59.4	174	0	0	0	107.6	T467 Y548 S552 Q555 G557	T467-I550 HydrophobicContact CG2-CG2 4.48Å; Y548-I550 HydrophobicContact CD2-CG1 4.38Å; Y548-I550 HydrophobicContact CE2-CG1 3.93Å; I550-S552 PolarHBondContact O-N 3.4Å; I550-Q555 HydrophobicContact CD1-CG 4.41Å; I550-Q555 HydrophobicContact CG2-CB 4.33Å; I550-Q555 HydrophobicContact CG2-CG 4.1Å; I550-G557 WeakPolarHBondContact CB-O 3.43Å; I550-G557 PolarHBondContact N-O 2.99Å
551	M	97.2	Very high	95.1	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	92.6	177.7	-68	-62.6	-71.3	0	0	109	Y464 Y465 F466 T467 L509 F513 Y516 L549	Y464-M551 HydrophobicContact CD2-CB 4.46Å; Y464-M551 HydrophobicContact CD2-CG 4.15Å; Y464-M551 HydrophobicContact CG-CG 4.16Å; Y465-M551 PolarHBondContact O-N 2.99Å; F466-M551 HydrophobicContact CD2-CB 4.24Å; F466-M551 WeakPolarHBondContact CD2-O 3.46Å; T467-M551 PolarHBondContact N-O 3.04Å; L509-M551 HydrophobicContact CD1-CE 4.21Å; F513-M551 HydrophobicContact CB-CE 4.39Å; F513-M551 HydrophobicContact CD1-CE 3.58Å; F513-M551 HydrophobicContact CD2-CE 3.52Å; F513-M551 HydrophobicContact CE1-CB 4.38Å; F513-M551 HydrophobicContact CE1-CE 3.61Å; F513-M551 HydrophobicContact CE1-CG 4.29Å; F513-M551 HydrophobicContact CE2-CB 4.08Å; F513-M551 HydrophobicContact CE2-CE 3.56Å; F513-M551 HydrophobicContact CG-CE 3.54Å; F513-M551 HydrophobicContact CZ-CB 3.66Å; F513-M551 HydrophobicContact CZ-CE 3.6Å; F513-M551 HydrophobicContact CZ-CG 4.04Å; Y516-M551 HydrophobicContact CD2-CE 3.97Å; Y516-M551 HydrophobicContact CD2-SD 4.17Å; Y516-M551 HydrophobicContact CE2-CE 4.24Å; Y516-M551 HydrophobicContact CE2-SD 4.07Å; L549-M551 HydrophobicContact CD2-SD 3.53Å; L549-M551 VanDerWaalsContact CD2-SD 3.53Å; L549-M551 HydrophobicContact CG-SD 4.08Å; L549-M551 PolarHBondContact O-N 3.48Å
552	S	97.2	Very high	95	Very high	2 Å²	2	50.1 Å²	50.1	1%	0.014	27%	0.273	C	S	.	.			trans	-146.1	149.6	177.8	168	0	0	0	0	113.1	T467 R512 I550 T554 Q555	T467-S552 WeakPolarHBondContact OG1-CB 3.49Å; R512-S552 PolarHBondContact NH2-O 3.07Å; I550-S552 PolarHBondContact O-N 3.4Å; S552-T554 VanDerWaalsContact C-N 3.29Å; S552-T554 PolarHBondContact OG-N 3.06Å; S552-T554 PolarHBondContact OG-OG1 3.08Å; S552-Q555 PolarHBondContact OG-N 3.23Å
553	A	95.9	Very high	95	Very high	18 Å²	18	52 Å²	52	15%	0.149	28%	0.28	C	S	.	.	S	Bend	trans	-74.5	-22	177.3	0	0	0	0	0	112.5	H468 A505 E506 L509	H468-A553 VanDerWaalsContact CE1-CB 3.44Å; H468-A553 WeakPolarHBondContact CE1-CB 3.47Å; H468-A553 WeakPolarHBondContact ND1-CB 3.22Å; A505-A553 HydrophobicContact CB-CB 3.96Å; E506-A553 HydrophobicContact CG-CB 4.33Å; L509-A553 HydrophobicContact CB-CB 4.18Å; L509-A553 HydrophobicContact CD2-CB 4.12Å
554	T	93.1	Very high	95.1	Very high	127 Å²	127	55.4 Å²	55.4	78%	0.779	28%	0.284	S	S	*	.	S	Bend	trans	-111.2	-17.9	-174.8	56.6	0	0	0	0	113.4	S552	S552-T554 VanDerWaalsContact C-N 3.29Å; S552-T554 PolarHBondContact OG-N 3.06Å; S552-T554 PolarHBondContact OG-OG1 3.08Å
555	Q	92.3	Very high	95.4	Very high	97 Å²	97	53.3 Å²	53.3	45%	0.453	27%	0.272	S	S	.	.			trans	-124.4	125.5	-179.1	-174.5	178.4	8.2	0	0	110.3	I550 S552	I550-Q555 HydrophobicContact CD1-CG 4.41Å; I550-Q555 HydrophobicContact CG2-CB 4.33Å; I550-Q555 HydrophobicContact CG2-CG 4.1Å; S552-Q555 PolarHBondContact OG-N 3.23Å
556	N	88.6	Confident	95.6	Very high	112 Å²	112	51 Å²	51	60%	0.599	26%	0.258	S	S	*	.			trans	-108.5	160.5	173.8	-66	-20.9	0	0	0	110.6	R512	R512-N556 PolarHBondContact NH1-OD1 3.49Å
557	G	94	Very high	95.8	Very high	27 Å²	27	50.6 Å²	50.6	28%	0.278	26%	0.257	S	S	.	.	S	Bend	trans	108.5	-167.9	174.2	0	0	0	0	0	114.3	E537 I550	E537-G557 PolarHBondContact OE1-N 2.85Å; I550-G557 WeakPolarHBondContact CB-O 3.43Å; I550-G557 PolarHBondContact N-O 2.99Å
558	T	96.2	Very high	95.7	Very high	71 Å²	71	51.9 Å²	51.9	44%	0.436	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	148.5	-170.9	55.6	0	0	0	0	111	P540 T547 Y548 L549	P540-T558 HydrophobicContact CG-CG2 3.73Å; T547-T558 HydrophobicContact CG2-CG2 4.37Å; Y548-T558 CarbonylContact O-C 3.32Å; Y548-T558 WeakPolarHBondContact O-CA 3.19Å; Y548-T558 VanDerWaalsContact O-CB 3.28Å; Y548-T558 WeakPolarHBondContact O-CB 3.3Å; L549-T558 HydrophobicContact CD1-CG2 4.23Å
559	G	96	Very high	95.8	Very high	12 Å²	12	51 Å²	51	12%	0.124	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	176.9	166.1	0	0	0	0	0	111	T547 Y548	T547-G559 WeakPolarHBondContact CA-O 3.47Å; T547-G559 WeakPolarHBondContact CG2-O 3.39Å; Y548-G559 VanDerWaalsContact CZ-CA 3.44Å; Y548-G559 PolarHBondContact N-O 3.3Å; Y548-G559 PolarHBondContact O-N 2.65Å
560	R	96.6	Very high	95.8	Very high	166 Å²	166	51.6 Å²	51.6	63%	0.626	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.4	142.8	177.8	-63.5	-177.9	-173.6	-154.5	2	109.8	D545 Y548 A562	D545-R560 IonicContact OD2-CZ 3.4Å; D545-R560 IonicContact OD2-NH1 3.61Å; D545-R560 PolarHBondContact OD2-NH1 3.09Å; Y548-R560 VanDerWaalsContact CE1-N 3.32Å; R560-A562 VanDerWaalsContact C-N 3.27Å; R560-A562 PolarHBondContact O-N 2.95Å
561	A	95.1	Very high	95.6	Very high	27 Å²	27	53 Å²	53	22%	0.223	28%	0.28	C	S	.	.	S	Bend	trans	52.2	43	168.6	0	0	0	0	0	113.8	D545 E546 R563 R564	D545-A561 PolarHBondContact O-N 2.82Å; E546-A561 HydrophobicContact CB-CB 4.49Å; E546-A561 PolarHBondContact O-N 3.31Å; A561-R563 PolarHBondContact O-N 2.94Å; A561-R564 HydrophobicContact CB-CB 3.91Å; A561-R564 WeakPolarHBondContact O-CB 3.2Å; A561-R564 PolarHBondContact O-N 2.88Å; A561-R564 VanDerWaalsContact O-N 3.09Å
562	A	93.8	Very high	95.5	Very high	17 Å²	17	56.7 Å²	56.7	14%	0.14	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	117.4	179.4	0	0	0	0	0	109.7	H444 Y548 R560 R564	H444-A562 PolarHBondContact NE2-O 3.1Å; Y548-A562 HydrophobicContact CD1-CB 3.94Å; Y548-A562 HydrophobicContact CE1-CB 3.35Å; R560-A562 VanDerWaalsContact C-N 3.27Å; R560-A562 PolarHBondContact O-N 2.95Å; A562-R564 PolarHBondContact O-N 3.17Å; A562-R564 VanDerWaalsContact O-N 3.07Å
563	R	95.9	Very high	95.6	Very high	50 Å²	50	62.4 Å²	62.4	19%	0.189	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.1	24.5	175.1	-40.9	-170	59.6	73.3	13.4	114	D440 A561 R565 Q566 C567	D440-R563 VanDerWaalsContact CG-NE 3.26Å; D440-R563 VanDerWaalsContact OD1-CD 3.28Å; D440-R563 WeakPolarHBondContact OD1-CD 3.28Å; D440-R563 IonicContact OD1-CZ 3.39Å; D440-R563 IonicContact OD1-NE 3.18Å; D440-R563 PolarHBondContact OD1-NE 2.87Å; D440-R563 IonicContact OD1-NH2 3.92Å; D440-R563 IonicContact OD2-CZ 3.41Å; D440-R563 VanDerWaalsContact OD2-CZ 3.31Å; D440-R563 IonicContact OD2-NE 2.68Å; D440-R563 PolarHBondContact OD2-NE 3.2Å; D440-R563 VanDerWaalsContact OD2-NE 3.16Å; D440-R563 IonicContact OD2-NH2 2.92Å; D440-R563 PolarHBondContact OD2-NH2 3.31Å; A561-R563 PolarHBondContact O-N 2.94Å; R563-R565 PolarHBondContact O-N 3.28Å; R563-Q566 HydrophobicContact CB-CB 4.41Å; R563-Q566 PolarHBondContact O-N 3.42Å; R563-Q566 VanDerWaalsContact O-N 3.08Å; R563-Q566 PolarHBondContact O-OE1 2.84Å; R563-C567 PolarHBondContact O-N 3.49Å; R563-C567 PolarHBondContact O-SG 3.01Å
564	R	95.6	Very high	95.6	Very high	96 Å²	96	61.5 Å²	61.5	36%	0.362	31%	0.314	S	S	.	.	H	α-helix	trans	-53.7	-40.6	-179.1	179	-172.4	-70.8	-172.4	-1.7	112.5	K544 D545 E546 A561 A562 C567 A568	K544-R564 PolarHBondContact O-NH2 3.28Å; D545-R564 PolarHBondContact O-NH2 3.15Å; E546-R564 IonicContact OE1-NE 3.07Å; E546-R564 IonicContact OE1-NH2 2.67Å; E546-R564 IonicContact OE2-CZ 3.25Å; E546-R564 IonicContact OE2-NE 2.76Å; E546-R564 PolarHBondContact OE2-NE 3.45Å; E546-R564 IonicContact OE2-NH2 2.81Å; E546-R564 PolarHBondContact OE2-NH2 2.94Å; A561-R564 HydrophobicContact CB-CB 3.91Å; A561-R564 WeakPolarHBondContact O-CB 3.2Å; A561-R564 PolarHBondContact O-N 2.88Å; A561-R564 VanDerWaalsContact O-N 3.09Å; A562-R564 PolarHBondContact O-N 3.17Å; A562-R564 VanDerWaalsContact O-N 3.07Å; R564-C567 PolarHBondContact O-N 2.85Å; R564-A568 WeakPolarHBondContact O-CB 3.39Å; R564-A568 PolarHBondContact O-N 3.05Å
565	R	97	Very high	95.6	Very high	137 Å²	137	58 Å²	58	52%	0.517	29%	0.293	S	S	.	.	H	α-helix	trans	-61	-49.7	178.2	-173.7	-175.3	77.4	98.7	6.3	110.8	E417 R563 C567 A568 F569	E417-R565 PolarHBondContact O-NH2 3.25Å; E417-R565 IonicContact OE1-CZ 2.63Å; E417-R565 IonicContact OE1-NE 3.33Å; E417-R565 PolarHBondContact OE1-NE 3Å; E417-R565 IonicContact OE1-NH1 2.74Å; E417-R565 PolarHBondContact OE1-NH1 3.48Å; E417-R565 IonicContact OE1-NH2 3.04Å; E417-R565 PolarHBondContact OE1-NH2 2.97Å; E417-R565 IonicContact OE2-CZ 2.76Å; E417-R565 IonicContact OE2-NH1 3.99Å; E417-R565 PolarHBondContact OE2-NH1 3.19Å; E417-R565 IonicContact OE2-NH2 2.99Å; E417-R565 PolarHBondContact OE2-NH2 2.89Å; R563-R565 PolarHBondContact O-N 3.28Å; R565-C567 VanDerWaalsContact C-N 3.33Å; R565-C567 PolarHBondContact O-N 2.96Å; R565-A568 PolarHBondContact O-N 3.09Å; R565-F569 PolarHBondContact O-N 3.03Å
566	Q	98.1	Very high	95.8	Very high	34 Å²	34	59.8 Å²	59.8	16%	0.159	30%	0.3	C	S	.	.	H	α-helix	trans	-65.6	-37.3	179.6	-67.4	79.2	4.8	0	0	111.6	Y418 D440 R563 F569 W570	Y418-Q566 HydrophobicContact CE1-CG 4.21Å; D440-Q566 WeakPolarHBondContact OD2-CB 3.17Å; R563-Q566 HydrophobicContact CB-CB 4.41Å; R563-Q566 PolarHBondContact O-N 3.42Å; R563-Q566 VanDerWaalsContact O-N 3.08Å; R563-Q566 PolarHBondContact O-OE1 2.84Å; Q566-F569 VanDerWaalsContact O-CB 3.29Å; Q566-F569 WeakPolarHBondContact O-CB 3.5Å; Q566-F569 PolarHBondContact O-N 3.07Å; Q566-W570 VanDerWaalsContact O-CD1 3.25Å; Q566-W570 PolarHBondContact O-N 3.23Å
567	C	98	Very high	96.1	Very high	3 Å²	3	55.8 Å²	55.8	2%	0.02	28%	0.278	C	S	.	.	H	α-helix	trans	-69.5	-34.9	174.2	-62.4	0	0	0	0	113.4	C445 R563 R564 R565 F569 W570 S571	C445-C567 WeakPolarHBondContact CA-SG 3.4Å; C445-C567 HydrophobicContact CB-CB 3.66Å; C445-C567 WeakPolarHBondContact CB-SG 3.38Å; C445-C567 WeakPolarHBondContact SG-CA 3.38Å; C445-C567 WeakPolarHBondContact SG-CB 3.5Å; C445-C567 CovalentContact SG-SG 2.06Å; C445-C567 PolarHBondContact SG-SG 3.22Å; R563-C567 PolarHBondContact O-N 3.49Å; R563-C567 PolarHBondContact O-SG 3.01Å; R564-C567 PolarHBondContact O-N 2.85Å; R565-C567 VanDerWaalsContact C-N 3.33Å; R565-C567 PolarHBondContact O-N 2.96Å; C567-F569 VanDerWaalsContact C-N 3.31Å; C567-W570 PolarHBondContact O-N 2.95Å; C567-S571 VanDerWaalsContact O-CB 3.29Å; C567-S571 WeakPolarHBondContact O-CB 3.41Å; C567-S571 PolarHBondContact O-N 2.94Å; C567-S571 PolarHBondContact O-OG 3.39Å
568	A	97.3	Very high	96.1	Very high	46 Å²	46	56.8 Å²	56.8	38%	0.38	28%	0.276	S	S	.	.	H	α-helix	trans	-66.5	-35.2	169.8	0	0	0	0	0	111.8	R564 R565 N572 Y573	R564-A568 WeakPolarHBondContact O-CB 3.39Å; R564-A568 PolarHBondContact O-N 3.05Å; R565-A568 PolarHBondContact O-N 3.09Å; A568-N572 VanDerWaalsContact O-CB 3.26Å; A568-N572 WeakPolarHBondContact O-CB 3.13Å; A568-N572 PolarHBondContact O-N 3.43Å; A568-Y573 PolarHBondContact O-N 2.94Å
569	F	98.4	Very high	95.8	Very high	15 Å²	15	57 Å²	57	7%	0.066	28%	0.284	C	S	.	.	I	π-helix	trans	-59.2	-50.3	173.6	171.2	-93.3	0	0	0	111.4	A413 I414 E417 Y418 R565 Q566 C567 Y573 I574	A413-F569 HydrophobicContact CB-CE2 4.36Å; A413-F569 HydrophobicContact CB-CZ 4.49Å; I414-F569 HydrophobicContact CB-CZ 4.35Å; I414-F569 HydrophobicContact CG1-CE1 3.97Å; I414-F569 HydrophobicContact CG1-CZ 3.83Å; E417-F569 HydrophobicContact CB-CD1 4.42Å; E417-F569 HydrophobicContact CB-CD2 4.08Å; E417-F569 HydrophobicContact CB-CE1 4.09Å; E417-F569 HydrophobicContact CB-CE2 3.72Å; E417-F569 HydrophobicContact CB-CG 4.4Å; E417-F569 HydrophobicContact CB-CZ 3.72Å; E417-F569 HydrophobicContact CG-CB 4.37Å; E417-F569 HydrophobicContact CG-CD1 3.84Å; E417-F569 HydrophobicContact CG-CD2 3.85Å; E417-F569 HydrophobicContact CG-CE1 3.99Å; E417-F569 HydrophobicContact CG-CE2 4Å; E417-F569 HydrophobicContact CG-CG 3.76Å; E417-F569 HydrophobicContact CG-CZ 4.06Å; Y418-F569 HydrophobicContact CE2-CE1 4.32Å; R565-F569 PolarHBondContact O-N 3.03Å; Q566-F569 VanDerWaalsContact O-CB 3.29Å; Q566-F569 WeakPolarHBondContact O-CB 3.5Å; Q566-F569 PolarHBondContact O-N 3.07Å; C567-F569 VanDerWaalsContact C-N 3.31Å; F569-Y573 AromaticContact CD2-CD1 3.66Å; F569-Y573 HydrophobicContact CD2-CD1 3.66Å; F569-Y573 HydrophobicContact CD2-CE1 4.38Å; F569-Y573 HydrophobicContact CD2-CG 4.41Å; F569-Y573 AromaticContact CE2-CD1 3.64Å; F569-Y573 HydrophobicContact CE2-CD1 3.64Å; F569-Y573 HydrophobicContact CE2-CE1 4Å; F569-Y573 WeakPolarHBondContact O-CB 3.33Å; F569-Y573 PolarHBondContact O-N 3.15Å; F569-I574 HydrophobicContact CD1-CG1 3.9Å; F569-I574 HydrophobicContact CD2-CG1 4.3Å; F569-I574 HydrophobicContact CE1-CD1 3.85Å; F569-I574 HydrophobicContact CE1-CG1 3.45Å; F569-I574 VanDerWaalsContact CE1-CG1 3.45Å; F569-I574 HydrophobicContact CE2-CD1 3.87Å; F569-I574 HydrophobicContact CE2-CG1 3.9Å; F569-I574 HydrophobicContact CG-CG1 4.3Å; F569-I574 HydrophobicContact CZ-CD1 3.37Å; F569-I574 HydrophobicContact CZ-CG1 3.45Å; F569-I574 VanDerWaalsContact CZ-CG1 3.45Å; F569-I574 WeakPolarHBondContact O-CG1 3.34Å; F569-I574 PolarHBondContact O-N 2.92Å
570	W	97.5	Very high	95.6	Very high	11 Å²	11	59.9 Å²	59.9	4%	0.042	31%	0.307	C	S	.	.	I	π-helix	trans	-72	-41.8	179.5	-74	117.3	0	0	0	114.7	L400 Y404 I414 Y418 A437 Y441 Q566 C567 I574 P575	L400-W570 HydrophobicContact CD2-CH2 3.9Å; Y404-W570 HydrophobicContact CD2-CZ3 4.31Å; Y404-W570 HydrophobicContact CE2-CZ3 4.3Å; I414-W570 HydrophobicContact CD1-CH2 3.66Å; I414-W570 HydrophobicContact CD1-CZ3 3.91Å; I414-W570 HydrophobicContact CG1-CH2 3.75Å; I414-W570 HydrophobicContact CG1-CZ2 4.47Å; I414-W570 HydrophobicContact CG1-CZ3 4.16Å; I414-W570 HydrophobicContact CG2-CH2 4.03Å; I414-W570 HydrophobicContact CG2-CZ2 4.21Å; Y418-W570 HydrophobicContact CE2-CZ2 4.08Å; Y418-W570 AromaticContact CE2-NE1 3.85Å; Y418-W570 AromaticContact CZ-NE1 3.73Å; Y418-W570 PolarHBondContact OH-NE1 3.41Å; A437-W570 WeakPolarHBondContact O-CZ2 3.26Å; Y441-W570 AromaticContact CD2-CD2 3.79Å; Y441-W570 HydrophobicContact CD2-CD2 3.79Å; Y441-W570 AromaticContact CD2-CE3 3.48Å; Y441-W570 HydrophobicContact CD2-CE3 3.48Å; Y441-W570 VanDerWaalsContact CD2-CE3 3.48Å; Y441-W570 HydrophobicContact CD2-CG 4.28Å; Y441-W570 AromaticContact CD2-CZ3 3.91Å; Y441-W570 HydrophobicContact CD2-CZ3 3.91Å; Y441-W570 HydrophobicContact CE2-CE3 4.15Å; Y441-W570 HydrophobicContact CE2-CZ3 4.45Å; Y441-W570 HydrophobicContact CG-CD2 4.22Å; Y441-W570 HydrophobicContact CG-CE3 4.1Å; Y441-W570 HydrophobicContact CG-CH2 4.44Å; Y441-W570 HydrophobicContact CG-CZ3 4.22Å; Q566-W570 VanDerWaalsContact O-CD1 3.25Å; Q566-W570 PolarHBondContact O-N 3.23Å; C567-W570 PolarHBondContact O-N 2.95Å; W570-I574 HydrophobicContact CE3-CB 4.37Å; W570-I574 HydrophobicContact CE3-CG1 4.23Å; W570-I574 HydrophobicContact CE3-CG2 4.24Å; W570-I574 HydrophobicContact CZ3-CG1 4.42Å; W570-I574 HydrophobicContact CZ3-CG2 4.25Å; W570-P575 WeakPolarHBondContact O-CD 3.42Å; W570-P575 WeakPolarHBondContact O-CG 3.47Å
571	S	94.4	Very high	95.3	Very high	45 Å²	45	52.8 Å²	52.8	32%	0.315	28%	0.282	S	S	.	.	I	π-helix	trans	-82.4	-23.3	-174.6	59.5	0	0	0	0	113.9	C567	C567-S571 VanDerWaalsContact O-CB 3.29Å; C567-S571 WeakPolarHBondContact O-CB 3.41Å; C567-S571 PolarHBondContact O-N 2.94Å; C567-S571 PolarHBondContact O-OG 3.39Å
572	N	95.2	Very high	94.6	Very high	78 Å²	78	54.8 Å²	54.8	42%	0.417	30%	0.299	S	S	.	.	I	π-helix	trans	-125.5	-54.4	-171.7	-171.8	6.8	0	0	0	112.9	A568 K576	A568-N572 VanDerWaalsContact O-CB 3.26Å; A568-N572 WeakPolarHBondContact O-CB 3.13Å; A568-N572 PolarHBondContact O-N 3.43Å; N572-K576 WeakPolarHBondContact O-CD 3.34Å; N572-K576 WeakPolarHBondContact O-CG 3.3Å; N572-K576 WeakPolarHBondContact OD1-CD 3.44Å; N572-K576 WeakPolarHBondContact OD1-CE 3.39Å; N572-K576 PolarHBondContact OD1-NZ 2.91Å
573	Y	98	Very high	93.7	Very high	121 Å²	121	59.1 Å²	59.1	48%	0.475	33%	0.328	S	S	.	.	I	π-helix	trans	-70	-52.1	-173.8	179.9	-104.4	0	0	0	112.4	A413 A568 F569 K576 L577	A413-Y573 HydrophobicContact CB-CE1 3.95Å; A568-Y573 PolarHBondContact O-N 2.94Å; F569-Y573 AromaticContact CD2-CD1 3.66Å; F569-Y573 HydrophobicContact CD2-CD1 3.66Å; F569-Y573 HydrophobicContact CD2-CE1 4.38Å; F569-Y573 HydrophobicContact CD2-CG 4.41Å; F569-Y573 AromaticContact CE2-CD1 3.64Å; F569-Y573 HydrophobicContact CE2-CD1 3.64Å; F569-Y573 HydrophobicContact CE2-CE1 4Å; F569-Y573 WeakPolarHBondContact O-CB 3.33Å; F569-Y573 PolarHBondContact O-N 3.15Å; Y573-K576 PolarHBondContact O-N 3.23Å; Y573-L577 HydrophobicContact CD1-CD2 4.5Å; Y573-L577 HydrophobicContact CE1-CD2 3.7Å; Y573-L577 WeakPolarHBondContact O-CB 3.47Å; Y573-L577 PolarHBondContact O-N 2.88Å
574	I	97	Very high	92.5	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-62.8	-46.8	-175.2	-72.5	-71.1	0	0	0	113.3	Y404 V410 A413 I414 F569 W570 K576 L577 H578	Y404-I574 HydrophobicContact CD1-CG2 4.27Å; Y404-I574 HydrophobicContact CE1-CG2 3.91Å; Y404-I574 HydrophobicContact CE2-CG2 4.36Å; V410-I574 HydrophobicContact CG1-CD1 3.88Å; V410-I574 HydrophobicContact CG1-CG2 4.09Å; A413-I574 HydrophobicContact CB-CD1 4.29Å; I414-I574 HydrophobicContact CD1-CD1 4.32Å; I414-I574 HydrophobicContact CG1-CD1 3.8Å; F569-I574 HydrophobicContact CD1-CG1 3.9Å; F569-I574 HydrophobicContact CD2-CG1 4.3Å; F569-I574 HydrophobicContact CE1-CD1 3.85Å; F569-I574 HydrophobicContact CE1-CG1 3.45Å; F569-I574 VanDerWaalsContact CE1-CG1 3.45Å; F569-I574 HydrophobicContact CE2-CD1 3.87Å; F569-I574 HydrophobicContact CE2-CG1 3.9Å; F569-I574 HydrophobicContact CG-CG1 4.3Å; F569-I574 HydrophobicContact CZ-CD1 3.37Å; F569-I574 HydrophobicContact CZ-CG1 3.45Å; F569-I574 VanDerWaalsContact CZ-CG1 3.45Å; F569-I574 WeakPolarHBondContact O-CG1 3.34Å; F569-I574 PolarHBondContact O-N 2.92Å; W570-I574 HydrophobicContact CE3-CB 4.37Å; W570-I574 HydrophobicContact CE3-CG1 4.23Å; W570-I574 HydrophobicContact CE3-CG2 4.24Å; W570-I574 HydrophobicContact CZ3-CG1 4.42Å; W570-I574 HydrophobicContact CZ3-CG2 4.25Å; I574-K576 VanDerWaalsContact C-N 3.31Å; I574-K576 PolarHBondContact O-N 2.98Å; I574-L577 PolarHBondContact O-N 3.45Å; I574-H578 VanDerWaalsContact O-CB 3.31Å; I574-H578 WeakPolarHBondContact O-CB 3.42Å; I574-H578 PolarHBondContact O-N 3.5Å
575	P	93.5	Very high	91.4	Very high	52 Å²	52	57 Å²	57	34%	0.338	33%	0.332	S	S	.	.	H	α-helix	trans	-59	-41.7	177.6	-27.2	36.3	0	0	0	112.7	W570 A579	W570-P575 WeakPolarHBondContact O-CD 3.42Å; W570-P575 WeakPolarHBondContact O-CG 3.47Å; P575-A579 WeakPolarHBondContact O-CB 3.36Å; P575-A579 PolarHBondContact O-N 2.88Å
576	K	95.6	Very high	90	Very high	136 Å²	136	55.9 Å²	55.9	59%	0.591	34%	0.336	S	S	*	.	H	α-helix	trans	-68.7	-43.5	177.9	-71.3	176.7	177.8	170.8	0	112.3	N572 Y573 I574 H578 A579 A580	N572-K576 WeakPolarHBondContact O-CD 3.34Å; N572-K576 WeakPolarHBondContact O-CG 3.3Å; N572-K576 WeakPolarHBondContact OD1-CD 3.44Å; N572-K576 WeakPolarHBondContact OD1-CE 3.39Å; N572-K576 PolarHBondContact OD1-NZ 2.91Å; Y573-K576 PolarHBondContact O-N 3.23Å; I574-K576 VanDerWaalsContact C-N 3.31Å; I574-K576 PolarHBondContact O-N 2.98Å; K576-H578 VanDerWaalsContact C-N 3.33Å; K576-A579 PolarHBondContact O-N 2.84Å; K576-A580 WeakPolarHBondContact O-CB 3.49Å; K576-A580 PolarHBondContact O-N 3.18Å
577	L	95.7	Very high	88.6	Confident	27 Å²	27	61.5 Å²	61.5	14%	0.141	36%	0.364	C	S	.	.	H	α-helix	trans	-61.3	-44.7	176.5	-177.9	63.3	0	0	0	110.8	I409 V410 A413 Y573 I574 A580 T581	I409-L577 HydrophobicContact CG2-CD1 3.87Å; I409-L577 HydrophobicContact CG2-CD2 4.19Å; I409-L577 HydrophobicContact CG2-CG 4.24Å; V410-L577 HydrophobicContact CG2-CB 4.48Å; V410-L577 HydrophobicContact CG2-CD2 4.19Å; V410-L577 HydrophobicContact CG2-CG 4.03Å; A413-L577 HydrophobicContact CB-CD2 3.73Å; Y573-L577 HydrophobicContact CD1-CD2 4.5Å; Y573-L577 HydrophobicContact CE1-CD2 3.7Å; Y573-L577 WeakPolarHBondContact O-CB 3.47Å; Y573-L577 PolarHBondContact O-N 2.88Å; I574-L577 PolarHBondContact O-N 3.45Å; L577-A580 PolarHBondContact O-N 3.32Å; L577-T581 HydrophobicContact CD1-CG2 4.2Å; L577-T581 WeakPolarHBondContact O-CB 2.95Å; L577-T581 WeakPolarHBondContact O-CG2 3.43Å; L577-T581 PolarHBondContact O-N 2.99Å; L577-T581 VanDerWaalsContact O-N 3.14Å; L577-T581 PolarHBondContact O-OG1 3.34Å
578	H	93.2	Very high	87.5	Confident	49 Å²	49	64.9 Å²	64.9	23%	0.227	38%	0.38	C	S	.	.	H	α-helix	trans	-60.5	-49.6	176.8	-175.2	64.9	0	0	0	111.4	K403 Y404 V410 I574 K576 A580 T581 A582	K403-H578 PolarHBondContact O-CE1 3.16Å; Y404-H578 HydrophobicContact CE1-CB 4.42Å; V410-H578 HydrophobicContact CG2-CB 3.87Å; I574-H578 VanDerWaalsContact O-CB 3.31Å; I574-H578 WeakPolarHBondContact O-CB 3.42Å; I574-H578 PolarHBondContact O-N 3.5Å; K576-H578 VanDerWaalsContact C-N 3.33Å; H578-A580 VanDerWaalsContact C-N 3.32Å; H578-A580 PolarHBondContact O-N 2.86Å; H578-T581 PolarHBondContact O-N 3.03Å; H578-T581 VanDerWaalsContact O-N 3.16Å; H578-T581 PolarHBondContact O-OG1 3.05Å; H578-A582 WeakPolarHBondContact O-CB 3.22Å; H578-A582 PolarHBondContact O-N 3.33Å
579	A	91	Very high	86.3	Confident	74 Å²	74	64 Å²	64	61%	0.612	37%	0.368	S	S	*	.	H	α-helix	trans	-58.8	-41.6	177.6	0	0	0	0	0	112.6	P575 K576 T581	P575-A579 WeakPolarHBondContact O-CB 3.36Å; P575-A579 PolarHBondContact O-N 2.88Å; K576-A579 PolarHBondContact O-N 2.84Å; A579-T581 VanDerWaalsContact C-N 3.27Å; A579-T581 PolarHBondContact O-N 3.17Å
580	A	90.7	Very high	85.2	Confident	74 Å²	74	70.3 Å²	70.3	61%	0.612	40%	0.395	S	S	*	.	H	α-helix	trans	-70.6	-20.2	179.9	0	0	0	0	0	114	K576 L577 H578	K576-A580 WeakPolarHBondContact O-CB 3.49Å; K576-A580 PolarHBondContact O-N 3.18Å; L577-A580 PolarHBondContact O-N 3.32Å; H578-A580 VanDerWaalsContact C-N 3.32Å; H578-A580 PolarHBondContact O-N 2.86Å
581	T	90	Very high	84.3	Confident	16 Å²	16	77 Å²	77	10%	0.098	42%	0.421	C	S	.	.	H	α-helix	trans	-116.1	-3.9	-173	55.9	0	0	0	0	113.5	N407 I409 L577 H578 A579 S583 L584	N407-T581 PolarHBondContact ND2-OG1 3.04Å; I409-T581 HydrophobicContact CB-CG2 4.33Å; I409-T581 HydrophobicContact CD1-CG2 3.67Å; I409-T581 HydrophobicContact CG2-CG2 4.24Å; L577-T581 HydrophobicContact CD1-CG2 4.2Å; L577-T581 WeakPolarHBondContact O-CB 2.95Å; L577-T581 WeakPolarHBondContact O-CG2 3.43Å; L577-T581 PolarHBondContact O-N 2.99Å; L577-T581 VanDerWaalsContact O-N 3.14Å; L577-T581 PolarHBondContact O-OG1 3.34Å; H578-T581 PolarHBondContact O-N 3.03Å; H578-T581 VanDerWaalsContact O-N 3.16Å; H578-T581 PolarHBondContact O-OG1 3.05Å; A579-T581 VanDerWaalsContact C-N 3.27Å; A579-T581 PolarHBondContact O-N 3.17Å; T581-S583 PolarHBondContact O-N 2.89Å; T581-S583 VanDerWaalsContact O-N 3.16Å; T581-L584 HydrophobicContact CG2-CD1 3.95Å; T581-L584 PolarHBondContact O-N 3.42Å; T581-L584 VanDerWaalsContact O-N 3.15Å
582	A	80.1	Confident	83.6	Confident	69 Å²	69	79.3 Å²	79.3	57%	0.57	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-25.4	-177.3	0	0	0	0	0	114.2	H578	H578-A582 WeakPolarHBondContact O-CB 3.22Å; H578-A582 PolarHBondContact O-N 3.33Å
583	S	75	Confident	82.7	Confident	109 Å²	109	78.9 Å²	78.9	76%	0.762	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-5.6	-179.5	64.9	0	0	0	0	114.5	T581 S585	T581-S583 PolarHBondContact O-N 2.89Å; T581-S583 VanDerWaalsContact O-N 3.16Å; S583-S585 PolarHBondContact O-N 3.33Å
584	L	71.9	Confident	81.9	Confident	44 Å²	44	78.8 Å²	78.8	23%	0.23	43%	0.426	C	S	.	.			trans	-75.6	121.3	-177.3	-68.3	171.1	0	0	0	109.7	I409 T581 E588 K592	I409-L584 HydrophobicContact CD1-CD1 3.86Å; T581-L584 HydrophobicContact CG2-CD1 3.95Å; T581-L584 PolarHBondContact O-N 3.42Å; T581-L584 VanDerWaalsContact O-N 3.15Å; L584-E588 VanDerWaalsContact CD2-CD 3.42Å; L584-E588 HydrophobicContact CD2-CG 4.23Å; L584-E588 WeakPolarHBondContact CD2-OE1 3.17Å; L584-K592 VanDerWaalsContact CD2-NZ 3.31Å
585	S	71	Confident	81.2	Confident	56 Å²	56	82.1 Å²	82.1	39%	0.392	44%	0.443	S	S	.	.			trans	-70.2	153.2	172.7	71.3	0	0	0	0	111.4	S583 M587 E588 M589	S583-S585 PolarHBondContact O-N 3.33Å; S585-M587 PolarHBondContact O-N 2.99Å; S585-E588 PolarHBondContact O-N 3.45Å; S585-E588 WeakPolarHBondContact OG-CB 3.45Å; S585-E588 PolarHBondContact OG-N 3.13Å; S585-E588 VanDerWaalsContact OG-N 3.1Å; S585-M589 PolarHBondContact O-N 3.01Å
586	D	68.8	Low	80.5	Confident	114 Å²	114	81.6 Å²	81.6	61%	0.61	44%	0.443	S	S	*	.	H	α-helix	trans	-54.7	-36.4	175.1	-74.9	-23.7	0	0	0	112.6	K590	D586-K590 WeakPolarHBondContact O-CB 3.12Å; D586-K590 WeakPolarHBondContact O-CG 3.34Å; D586-K590 PolarHBondContact O-N 2.94Å
587	M	68.1	Low	79.7	Confident	152 Å²	152	79.9 Å²	79.9	75%	0.749	44%	0.435	S	S	*	.	H	α-helix	trans	-66.2	-47.2	175.1	-82.1	-165.6	-59.4	0	0	111.7	S585 M589 K590 W591	S585-M587 PolarHBondContact O-N 2.99Å; M587-M589 VanDerWaalsContact C-N 3.26Å; M587-M589 PolarHBondContact O-N 3.41Å; M587-K590 PolarHBondContact O-N 3.07Å; M587-W591 WeakPolarHBondContact O-CB 3.3Å; M587-W591 PolarHBondContact O-N 3.15Å
588	E	76	Confident	79.1	Confident	75 Å²	75	84.7 Å²	84.7	35%	0.35	45%	0.452	S	S	.	.	H	α-helix	trans	-61.3	-40.5	179	-170.4	-176.7	162.5	0	0	110.6	L584 S585 W591 K592	L584-E588 VanDerWaalsContact CD2-CD 3.42Å; L584-E588 HydrophobicContact CD2-CG 4.23Å; L584-E588 WeakPolarHBondContact CD2-OE1 3.17Å; S585-E588 PolarHBondContact O-N 3.45Å; S585-E588 WeakPolarHBondContact OG-CB 3.45Å; S585-E588 PolarHBondContact OG-N 3.13Å; S585-E588 VanDerWaalsContact OG-N 3.1Å; E588-W591 PolarHBondContact O-N 3.49Å; E588-K592 WeakPolarHBondContact O-CG 3.27Å; E588-K592 PolarHBondContact O-N 3.36Å; E588-K592 VanDerWaalsContact OE1-CE 3.28Å; E588-K592 WeakPolarHBondContact OE1-CE 2.84Å; E588-K592 IonicContact OE1-NZ 2.82Å; E588-K592 PolarHBondContact OE1-NZ 3.24Å
589	M	71.9	Confident	78.6	Confident	26 Å²	26	88.2 Å²	88.2	13%	0.128	47%	0.468	C	S	.	.	H	α-helix	trans	-67.3	-46.6	176.9	-171.1	-164.8	52.2	0	0	112.3	P408 I409 S585 M587 W591 K592 L593	P408-M589 HydrophobicContact CB-CE 3.6Å; P408-M589 HydrophobicContact CB-SD 3.6Å; P408-M589 VanDerWaalsContact CB-SD 3.6Å; P408-M589 HydrophobicContact CG-CE 3.17Å; P408-M589 HydrophobicContact CG-SD 3.15Å; P408-M589 WeakPolarHBondContact CG-SD 3.2Å; I409-M589 HydrophobicContact CD1-CG 4.49Å; I409-M589 HydrophobicContact CD1-SD 4.47Å; I409-M589 HydrophobicContact CG1-SD 3.94Å; S585-M589 PolarHBondContact O-N 3.01Å; M587-M589 VanDerWaalsContact C-N 3.26Å; M587-M589 PolarHBondContact O-N 3.41Å; M589-W591 VanDerWaalsContact C-N 3.25Å; M589-W591 PolarHBondContact O-N 3.45Å; M589-K592 PolarHBondContact O-N 2.79Å; M589-L593 HydrophobicContact CG-CD1 4.2Å; M589-L593 PolarHBondContact O-N 3.24Å; M589-L593 HydrophobicContact SD-CD1 4.39Å
590	K	74.1	Confident	78	Confident	148 Å²	148	90.2 Å²	90.2	64%	0.643	47%	0.469	S	S	*	.	H	α-helix	trans	-57.3	-43.3	175.4	-83.6	-176.8	179.7	176.8	0	111	D586 M587 L593 Q594	D586-K590 WeakPolarHBondContact O-CB 3.12Å; D586-K590 WeakPolarHBondContact O-CG 3.34Å; D586-K590 PolarHBondContact O-N 2.94Å; M587-K590 PolarHBondContact O-N 3.07Å; K590-L593 PolarHBondContact O-N 2.53Å; K590-Q594 WeakPolarHBondContact O-CB 3.23Å; K590-Q594 VanDerWaalsContact O-CG 3.26Å; K590-Q594 WeakPolarHBondContact O-CG 3.44Å; K590-Q594 PolarHBondContact O-N 3.12Å
591	W	80.2	Confident	77.5	Confident	153 Å²	153	91.7 Å²	91.7	58%	0.58	46%	0.463	S	S	*	.	H	α-helix	trans	-60.8	-47.2	176.2	178.6	83	0	0	0	111.6	M587 E588 M589 L593 Q594 M595	M587-W591 WeakPolarHBondContact O-CB 3.3Å; M587-W591 PolarHBondContact O-N 3.15Å; E588-W591 PolarHBondContact O-N 3.49Å; M589-W591 VanDerWaalsContact C-N 3.25Å; M589-W591 PolarHBondContact O-N 3.45Å; W591-L593 PolarHBondContact O-N 3.24Å; W591-Q594 PolarHBondContact O-N 2.95Å; W591-M595 HydrophobicContact CH2-CE 4.26Å; W591-M595 HydrophobicContact CZ2-CE 3.44Å; W591-M595 VanDerWaalsContact CZ2-CE 3.44Å; W591-M595 VanDerWaalsContact O-CB 3.3Å; W591-M595 WeakPolarHBondContact O-CB 3.24Å; W591-M595 PolarHBondContact O-N 3.28Å
592	K	78.3	Confident	77	Confident	92 Å²	92	96.9 Å²	96.9	40%	0.4	48%	0.482	S	S	.	.	H	α-helix	trans	-59.9	-43.4	177	-75.3	-178.2	-177.5	169.2	0	112.6	L584 E588 M589 M595 A596	L584-K592 VanDerWaalsContact CD2-NZ 3.31Å; E588-K592 WeakPolarHBondContact O-CG 3.27Å; E588-K592 PolarHBondContact O-N 3.36Å; E588-K592 VanDerWaalsContact OE1-CE 3.28Å; E588-K592 WeakPolarHBondContact OE1-CE 2.84Å; E588-K592 IonicContact OE1-NZ 2.82Å; E588-K592 PolarHBondContact OE1-NZ 3.24Å; M589-K592 PolarHBondContact O-N 2.79Å; K592-M595 PolarHBondContact O-N 3.15Å; K592-A596 WeakPolarHBondContact O-CB 3.38Å; K592-A596 PolarHBondContact O-N 3.43Å
593	L	76.9	Confident	77.2	Confident	70 Å²	70	95.1 Å²	95.1	37%	0.366	46%	0.462	S	S	.	.	H	α-helix	trans	-66.1	-41.8	177.7	-76.2	168	0	0	0	112.6	M589 K590 W591 K597	M589-L593 HydrophobicContact CG-CD1 4.2Å; M589-L593 PolarHBondContact O-N 3.24Å; M589-L593 HydrophobicContact SD-CD1 4.39Å; K590-L593 PolarHBondContact O-N 2.53Å; W591-L593 PolarHBondContact O-N 3.24Å; L593-K597 PolarHBondContact O-N 3.36Å
594	Q	80.4	Confident	77.5	Confident	118 Å²	118	92.4 Å²	92.4	55%	0.551	45%	0.447	S	S	*	.	H	α-helix	trans	-68.7	-38.2	177.1	-70.8	-66.4	-32.7	0	0	111.5	K590 W591 K597 W598	K590-Q594 WeakPolarHBondContact O-CB 3.23Å; K590-Q594 VanDerWaalsContact O-CG 3.26Å; K590-Q594 WeakPolarHBondContact O-CG 3.44Å; K590-Q594 PolarHBondContact O-N 3.12Å; W591-Q594 PolarHBondContact O-N 2.95Å; Q594-K597 PolarHBondContact O-N 2.82Å; Q594-W598 WeakPolarHBondContact O-CB 3.38Å; Q594-W598 PolarHBondContact O-N 2.84Å
595	M	83.4	Confident	77.9	Confident	71 Å²	71	94.6 Å²	94.6	35%	0.35	46%	0.459	S	S	.	.	H	α-helix	trans	-63.1	-45	175	-171.6	63.8	84.2	0	0	111.1	W591 K592 W598 E599	W591-M595 HydrophobicContact CH2-CE 4.26Å; W591-M595 HydrophobicContact CZ2-CE 3.44Å; W591-M595 VanDerWaalsContact CZ2-CE 3.44Å; W591-M595 VanDerWaalsContact O-CB 3.3Å; W591-M595 WeakPolarHBondContact O-CB 3.24Å; W591-M595 PolarHBondContact O-N 3.28Å; K592-M595 PolarHBondContact O-N 3.15Å; M595-W598 PolarHBondContact O-N 2.93Å; M595-W598 HydrophobicContact SD-CE3 4.01Å; M595-E599 WeakPolarHBondContact O-CB 3.44Å; M595-E599 PolarHBondContact O-N 3.13Å
596	A	78.7	Confident	78.6	Confident	41 Å²	41	98.9 Å²	98.9	34%	0.339	47%	0.466	S	S	.	.	H	α-helix	trans	-61.1	-47.2	175.8	0	0	0	0	0	112	K592 W598 E599 D600	K592-A596 WeakPolarHBondContact O-CB 3.38Å; K592-A596 PolarHBondContact O-N 3.43Å; A596-W598 VanDerWaalsContact C-N 3.26Å; A596-W598 PolarHBondContact O-N 3.26Å; A596-E599 PolarHBondContact O-N 2.91Å; A596-D600 WeakPolarHBondContact O-CB 3.19Å; A596-D600 PolarHBondContact O-N 3.42Å
597	K	78.8	Confident	79.4	Confident	99 Å²	99	99.3 Å²	99.3	43%	0.43	46%	0.463	S	S	.	.	H	α-helix	trans	-58.9	-38.7	173.7	-80.9	-167.3	170.2	-159.8	0	112.7	L593 Q594 E601 Y602	L593-K597 PolarHBondContact O-N 3.36Å; Q594-K597 PolarHBondContact O-N 2.82Å; K597-E601 WeakPolarHBondContact O-CA 3.35Å; K597-E601 VanDerWaalsContact O-CB 3.28Å; K597-E601 WeakPolarHBondContact O-CB 3.28Å; K597-E601 PolarHBondContact O-N 3.14Å; K597-Y602 HydrophobicContact CB-CE2 4.34Å; K597-Y602 PolarHBondContact O-N 3.11Å; K597-Y602 VanDerWaalsContact O-N 3.14Å
598	W	83.1	Confident	80.1	Confident	128 Å²	128	97.4 Å²	97.4	49%	0.485	45%	0.452	S	S	.	.	I	π-helix	trans	-66.1	-42.8	176.1	178.6	86.5	0	0	0	112.5	Q594 M595 A596 Y602 I603	Q594-W598 WeakPolarHBondContact O-CB 3.38Å; Q594-W598 PolarHBondContact O-N 2.84Å; M595-W598 PolarHBondContact O-N 2.93Å; M595-W598 HydrophobicContact SD-CE3 4.01Å; A596-W598 VanDerWaalsContact C-N 3.26Å; A596-W598 PolarHBondContact O-N 3.26Å; W598-Y602 HydrophobicContact CB-CD2 4.2Å; W598-Y602 PolarHBondContact O-N 3.39Å; W598-I603 HydrophobicContact CH2-CD1 4.15Å; W598-I603 HydrophobicContact CH2-CG1 4.25Å; W598-I603 HydrophobicContact CZ2-CB 4.36Å; W598-I603 HydrophobicContact CZ2-CD1 3.72Å; W598-I603 HydrophobicContact CZ2-CG1 4.2Å; W598-I603 WeakPolarHBondContact O-CB 3.37Å; W598-I603 WeakPolarHBondContact O-CG2 3.28Å; W598-I603 PolarHBondContact O-N 3.16Å
599	E	83.2	Confident	80.6	Confident	124 Å²	124	99 Å²	99	58%	0.579	46%	0.459	S	S	*	.	I	π-helix	trans	-70.7	-36.7	-179.2	-172.3	171.2	-168.3	0	0	113.1	M595 A596 I603	M595-E599 WeakPolarHBondContact O-CB 3.44Å; M595-E599 PolarHBondContact O-N 3.13Å; A596-E599 PolarHBondContact O-N 2.91Å; E599-I603 WeakPolarHBondContact O-CG2 3.41Å
600	D	77.9	Confident	81.4	Confident	116 Å²	116	101.8 Å²	101.8	62%	0.62	47%	0.471	S	S	*	.	I	π-helix	trans	-94.7	-39.5	-174.4	-67	-31.3	0	0	0	112.8	A596	A596-D600 WeakPolarHBondContact O-CB 3.19Å; A596-D600 PolarHBondContact O-N 3.42Å
601	E	79.5	Confident	82.1	Confident	105 Å²	105	98.5 Å²	98.5	49%	0.491	46%	0.458	S	S	.	.	I	π-helix	trans	-102.2	-59.3	-174.4	-57.5	174.7	-171.1	0	0	111	K597 D605	K597-E601 WeakPolarHBondContact O-CA 3.35Å; K597-E601 VanDerWaalsContact O-CB 3.28Å; K597-E601 WeakPolarHBondContact O-CB 3.28Å; K597-E601 PolarHBondContact O-N 3.14Å; E601-D605 WeakPolarHBondContact O-CB 3.23Å; E601-D605 PolarHBondContact O-N 3.47Å; E601-D605 VanDerWaalsContact O-N 3.11Å
602	Y	80.6	Confident	82.3	Confident	124 Å²	124	94.6 Å²	94.6	49%	0.486	45%	0.447	S	S	.	.	I	π-helix	trans	-72.7	-42.6	-167.4	-61.7	-50.3	0	0	0	113.6	K597 W598 A604 W606	K597-Y602 HydrophobicContact CB-CE2 4.34Å; K597-Y602 PolarHBondContact O-N 3.11Å; K597-Y602 VanDerWaalsContact O-N 3.14Å; W598-Y602 HydrophobicContact CB-CD2 4.2Å; W598-Y602 PolarHBondContact O-N 3.39Å; Y602-A604 VanDerWaalsContact C-N 3.34Å; Y602-W606 WeakPolarHBondContact O-CB 3.18Å; Y602-W606 PolarHBondContact O-N 3.01Å
603	I	83.8	Confident	82.6	Confident	32 Å²	32	96.4 Å²	96.4	16%	0.164	45%	0.452	C	S	.	.	H	α-helix	trans	-72.5	-31.6	-178.3	-163.7	61.8	0	0	0	111.6	W598 E599 W606 K607	W598-I603 HydrophobicContact CH2-CD1 4.15Å; W598-I603 HydrophobicContact CH2-CG1 4.25Å; W598-I603 HydrophobicContact CZ2-CB 4.36Å; W598-I603 HydrophobicContact CZ2-CD1 3.72Å; W598-I603 HydrophobicContact CZ2-CG1 4.2Å; W598-I603 WeakPolarHBondContact O-CB 3.37Å; W598-I603 WeakPolarHBondContact O-CG2 3.28Å; W598-I603 PolarHBondContact O-N 3.16Å; E599-I603 WeakPolarHBondContact O-CG2 3.41Å; I603-W606 HydrophobicContact CD1-CE3 4.2Å; I603-K607 HydrophobicContact CG1-CD 4.46Å; I603-K607 VanDerWaalsContact O-CB 3.27Å; I603-K607 WeakPolarHBondContact O-CB 3.27Å; I603-K607 WeakPolarHBondContact O-CG 3.24Å; I603-K607 PolarHBondContact O-N 2.81Å
604	A	80.7	Confident	83	Confident	53 Å²	53	97.2 Å²	97.2	44%	0.438	45%	0.452	S	S	.	.	H	α-helix	trans	-66.6	-47.7	175.2	0	0	0	0	0	110.5	Y602 K607 H608	Y602-A604 VanDerWaalsContact C-N 3.34Å; A604-K607 PolarHBondContact O-N 3.48Å; A604-H608 PolarHBondContact O-N 3.34Å
605	D	80.2	Confident	83.1	Confident	90 Å²	90	98.9 Å²	98.9	48%	0.481	45%	0.454	S	S	.	.	H	α-helix	trans	-65.7	-42.5	176.8	-171.1	48.4	0	0	0	112.2	E601 K607 H608 H609	E601-D605 WeakPolarHBondContact O-CB 3.23Å; E601-D605 PolarHBondContact O-N 3.47Å; E601-D605 VanDerWaalsContact O-N 3.11Å; D605-K607 PolarHBondContact O-N 2.74Å; D605-H608 WeakPolarHBondContact O-CB 3.47Å; D605-H608 PolarHBondContact O-N 3.34Å; D605-H609 PolarHBondContact O-N 3.44Å; D605-H609 PolarHBondContact O-ND1 3.41Å; D605-H609 IonicContact OD1-CE1 2.74Å; D605-H609 PolarHBondContact OD1-CE1 3.02Å; D605-H609 IonicContact OD1-ND1 2.63Å; D605-H609 PolarHBondContact OD1-ND1 3.47Å; D605-H609 VanDerWaalsContact OD1-ND1 3.15Å; D605-H609 IonicContact OD2-CE1 3.02Å; D605-H609 PolarHBondContact OD2-CE1 2.88Å; D605-H609 IonicContact OD2-ND1 3.15Å; D605-H609 PolarHBondContact OD2-ND1 3.15Å
606	W	85.5	Confident	82.9	Confident	145 Å²	145	100.9 Å²	100.9	55%	0.549	47%	0.465	S	S	.	.	H	α-helix	trans	-61.3	-44.7	175.2	-177.6	89.1	0	0	0	111.7	Y602 I603 H608 H609 F610	Y602-W606 WeakPolarHBondContact O-CB 3.18Å; Y602-W606 PolarHBondContact O-N 3.01Å; I603-W606 HydrophobicContact CD1-CE3 4.2Å; W606-H608 VanDerWaalsContact C-N 3.32Å; W606-H608 PolarHBondContact O-N 2.97Å; W606-H609 PolarHBondContact O-N 3.23Å; W606-F610 HydrophobicContact CD2-CB 4.45Å; W606-F610 HydrophobicContact CE3-CB 4.31Å; W606-F610 HydrophobicContact CH2-CB 4.17Å; W606-F610 HydrophobicContact CH2-CD1 4.07Å; W606-F610 AromaticContact CH2-CD2 3.98Å; W606-F610 HydrophobicContact CH2-CD2 3.98Å; W606-F610 HydrophobicContact CH2-CE1 4.49Å; W606-F610 HydrophobicContact CH2-CE2 4.41Å; W606-F610 AromaticContact CH2-CG 3.81Å; W606-F610 HydrophobicContact CH2-CG 3.81Å; W606-F610 HydrophobicContact CZ2-CB 4.32Å; W606-F610 AromaticContact CZ2-CD2 3.93Å; W606-F610 HydrophobicContact CZ2-CD2 3.93Å; W606-F610 HydrophobicContact CZ2-CE2 4.48Å; W606-F610 HydrophobicContact CZ2-CG 4.11Å; W606-F610 HydrophobicContact CZ3-CB 4.17Å; W606-F610 HydrophobicContact CZ3-CD1 4.3Å; W606-F610 HydrophobicContact CZ3-CG 4.17Å; W606-F610 VanDerWaalsContact O-CB 3.24Å; W606-F610 WeakPolarHBondContact O-CB 2.97Å; W606-F610 PolarHBondContact O-N 2.96Å
607	K	86.3	Confident	83	Confident	123 Å²	123	102.2 Å²	102.2	54%	0.535	46%	0.464	S	S	.	.	H	α-helix	trans	-58.5	-45.9	175.2	-80.8	171.1	179.7	170.9	0	110.4	I603 A604 D605 H609 F610 E611	I603-K607 HydrophobicContact CG1-CD 4.46Å; I603-K607 VanDerWaalsContact O-CB 3.27Å; I603-K607 WeakPolarHBondContact O-CB 3.27Å; I603-K607 WeakPolarHBondContact O-CG 3.24Å; I603-K607 PolarHBondContact O-N 2.81Å; A604-K607 PolarHBondContact O-N 3.48Å; D605-K607 PolarHBondContact O-N 2.74Å; K607-H609 PolarHBondContact O-N 3.27Å; K607-F610 PolarHBondContact O-N 3.49Å; K607-E611 VanDerWaalsContact O-CG 3.3Å; K607-E611 WeakPolarHBondContact O-CG 3.48Å; K607-E611 PolarHBondContact O-N 3.36Å
608	H	83.3	Confident	82.9	Confident	113 Å²	113	103.6 Å²	103.6	52%	0.523	47%	0.472	S	S	.	.	H	α-helix	trans	-57.7	-50.8	177.7	-178.8	74.4	0	0	0	112.2	A604 D605 W606 F610 E611 M612	A604-H608 PolarHBondContact O-N 3.34Å; D605-H608 WeakPolarHBondContact O-CB 3.47Å; D605-H608 PolarHBondContact O-N 3.34Å; W606-H608 VanDerWaalsContact C-N 3.32Å; W606-H608 PolarHBondContact O-N 2.97Å; H608-F610 PolarHBondContact O-N 3.04Å; H608-E611 PolarHBondContact O-N 3.34Å; H608-M612 WeakPolarHBondContact O-CG 3.46Å; H608-M612 PolarHBondContact O-N 2.63Å
609	H	85.9	Confident	82.2	Confident	107 Å²	107	103.2 Å²	103.2	50%	0.495	48%	0.476	S	S	.	.	H	α-helix	trans	-64.8	-38.1	178.7	-74.6	93.3	0	0	0	112.8	D605 W606 K607 E611 M612 Y613	D605-H609 PolarHBondContact O-N 3.44Å; D605-H609 PolarHBondContact O-ND1 3.41Å; D605-H609 IonicContact OD1-CE1 2.74Å; D605-H609 PolarHBondContact OD1-CE1 3.02Å; D605-H609 IonicContact OD1-ND1 2.63Å; D605-H609 PolarHBondContact OD1-ND1 3.47Å; D605-H609 VanDerWaalsContact OD1-ND1 3.15Å; D605-H609 IonicContact OD2-CE1 3.02Å; D605-H609 PolarHBondContact OD2-CE1 2.88Å; D605-H609 IonicContact OD2-ND1 3.15Å; D605-H609 PolarHBondContact OD2-ND1 3.15Å; W606-H609 PolarHBondContact O-N 3.23Å; K607-H609 PolarHBondContact O-N 3.27Å; H609-E611 VanDerWaalsContact C-N 3.34Å; H609-M612 PolarHBondContact O-N 3Å; H609-Y613 WeakPolarHBondContact O-CB 3.41Å; H609-Y613 PolarHBondContact O-N 2.91Å
610	F	89	Confident	81.4	Confident	86 Å²	86	105.8 Å²	105.8	38%	0.377	48%	0.48	S	S	.	.	H	α-helix	trans	-64	-39.8	175.9	-172.5	-109.5	0	0	0	111.2	W606 K607 H608 Y613 K614	W606-F610 HydrophobicContact CD2-CB 4.45Å; W606-F610 HydrophobicContact CE3-CB 4.31Å; W606-F610 HydrophobicContact CH2-CB 4.17Å; W606-F610 HydrophobicContact CH2-CD1 4.07Å; W606-F610 AromaticContact CH2-CD2 3.98Å; W606-F610 HydrophobicContact CH2-CD2 3.98Å; W606-F610 HydrophobicContact CH2-CE1 4.49Å; W606-F610 HydrophobicContact CH2-CE2 4.41Å; W606-F610 AromaticContact CH2-CG 3.81Å; W606-F610 HydrophobicContact CH2-CG 3.81Å; W606-F610 HydrophobicContact CZ2-CB 4.32Å; W606-F610 AromaticContact CZ2-CD2 3.93Å; W606-F610 HydrophobicContact CZ2-CD2 3.93Å; W606-F610 HydrophobicContact CZ2-CE2 4.48Å; W606-F610 HydrophobicContact CZ2-CG 4.11Å; W606-F610 HydrophobicContact CZ3-CB 4.17Å; W606-F610 HydrophobicContact CZ3-CD1 4.3Å; W606-F610 HydrophobicContact CZ3-CG 4.17Å; W606-F610 VanDerWaalsContact O-CB 3.24Å; W606-F610 WeakPolarHBondContact O-CB 2.97Å; W606-F610 PolarHBondContact O-N 2.96Å; K607-F610 PolarHBondContact O-N 3.49Å; H608-F610 PolarHBondContact O-N 3.04Å; F610-Y613 WeakPolarHBondContact O-CB 3.45Å; F610-Y613 PolarHBondContact O-N 3.21Å; F610-K614 HydrophobicContact CD1-CD 4.3Å; F610-K614 HydrophobicContact CE1-CD 3.83Å; F610-K614 HydrophobicContact CE1-CG 4.22Å; F610-K614 HydrophobicContact CZ-CD 4.33Å; F610-K614 HydrophobicContact CZ-CG 4.4Å; F610-K614 WeakPolarHBondContact O-CG 3.46Å; F610-K614 PolarHBondContact O-N 3.1Å
611	E	87.5	Confident	80.5	Confident	79 Å²	79	107.6 Å²	107.6	37%	0.369	48%	0.479	S	S	.	.	H	α-helix	trans	-70.2	-36.4	177.1	-59.7	-36.6	-124.5	0	0	112.5	K607 H608 H609 K614 R615	K607-E611 VanDerWaalsContact O-CG 3.3Å; K607-E611 WeakPolarHBondContact O-CG 3.48Å; K607-E611 PolarHBondContact O-N 3.36Å; H608-E611 PolarHBondContact O-N 3.34Å; H609-E611 VanDerWaalsContact C-N 3.34Å; E611-K614 VanDerWaalsContact CD-CE 3.48Å; E611-K614 PolarHBondContact O-N 3.28Å; E611-K614 IonicContact OE1-NZ 3.9Å; E611-K614 PolarHBondContact OE1-NZ 3.21Å; E611-K614 WeakPolarHBondContact OE2-CE 3.49Å; E611-K614 IonicContact OE2-NZ 2.93Å; E611-K614 PolarHBondContact OE2-NZ 2.92Å; E611-R615 WeakPolarHBondContact O-CG 3.3Å; E611-R615 PolarHBondContact O-N 3.35Å; E611-R615 VanDerWaalsContact O-N 3.1Å
612	M	84.4	Confident	79.5	Confident	71 Å²	71	107.5 Å²	107.5	35%	0.35	48%	0.482	S	S	.	.	H	α-helix	trans	-61.2	-44.8	170.3	-72.1	-62.6	98.4	0	0	111.7	H608 H609 K614 R615 L616	H608-M612 WeakPolarHBondContact O-CG 3.46Å; H608-M612 PolarHBondContact O-N 2.63Å; H609-M612 PolarHBondContact O-N 3Å; M612-K614 PolarHBondContact O-N 2.86Å; M612-R615 PolarHBondContact O-N 3.47Å; M612-L616 WeakPolarHBondContact O-CG 3.48Å; M612-L616 PolarHBondContact O-N 3.41Å
613	Y	86	Confident	78.5	Confident	129 Å²	129	107.3 Å²	107.3	51%	0.506	49%	0.489	S	S	.	.	H	α-helix	trans	-59.8	-45.3	175.8	175.8	-96.8	0	0	0	111.8	H609 F610 R615 L616 Q617	H609-Y613 WeakPolarHBondContact O-CB 3.41Å; H609-Y613 PolarHBondContact O-N 2.91Å; F610-Y613 WeakPolarHBondContact O-CB 3.45Å; F610-Y613 PolarHBondContact O-N 3.21Å; Y613-R615 VanDerWaalsContact C-N 3.35Å; Y613-R615 PolarHBondContact O-N 3Å; Y613-L616 PolarHBondContact O-N 3.38Å; Y613-Q617 HydrophobicContact CD1-CG 4.13Å; Y613-Q617 HydrophobicContact CD2-CG 4.42Å; Y613-Q617 HydrophobicContact CE1-CG 3.64Å; Y613-Q617 HydrophobicContact CE2-CG 3.98Å; Y613-Q617 VanDerWaalsContact CE2-NE2 3.28Å; Y613-Q617 WeakPolarHBondContact O-CG 3.37Å; Y613-Q617 PolarHBondContact O-N 2.96Å; Y613-Q617 PolarHBondContact OH-NE2 3.28Å
614	K	85.6	Confident	77.3	Confident	87 Å²	87	109.2 Å²	109.2	38%	0.378	51%	0.51	S	S	.	.	H	α-helix	trans	-59	-43.5	176.3	-71.9	-169.4	-41.2	-153.7	0	112.4	F610 E611 M612 Q617 Q618	F610-K614 HydrophobicContact CD1-CD 4.3Å; F610-K614 HydrophobicContact CE1-CD 3.83Å; F610-K614 HydrophobicContact CE1-CG 4.22Å; F610-K614 HydrophobicContact CZ-CD 4.33Å; F610-K614 HydrophobicContact CZ-CG 4.4Å; F610-K614 WeakPolarHBondContact O-CG 3.46Å; F610-K614 PolarHBondContact O-N 3.1Å; E611-K614 VanDerWaalsContact CD-CE 3.48Å; E611-K614 PolarHBondContact O-N 3.28Å; E611-K614 IonicContact OE1-NZ 3.9Å; E611-K614 PolarHBondContact OE1-NZ 3.21Å; E611-K614 WeakPolarHBondContact OE2-CE 3.49Å; E611-K614 IonicContact OE2-NZ 2.93Å; E611-K614 PolarHBondContact OE2-NZ 2.92Å; M612-K614 PolarHBondContact O-N 2.86Å; K614-Q617 PolarHBondContact O-N 3.36Å; K614-Q618 WeakPolarHBondContact O-CG 3.42Å; K614-Q618 PolarHBondContact O-N 3.45Å
615	R	81.5	Confident	76.1	Confident	153 Å²	153	112.5 Å²	112.5	58%	0.577	52%	0.516	S	S	*	.	H	α-helix	trans	-62	-44.1	176.4	-72	-176.6	-174.2	-175.5	1	111.5	E611 M612 Y613 Q617 Q618 H619	E611-R615 WeakPolarHBondContact O-CG 3.3Å; E611-R615 PolarHBondContact O-N 3.35Å; E611-R615 VanDerWaalsContact O-N 3.1Å; M612-R615 PolarHBondContact O-N 3.47Å; Y613-R615 VanDerWaalsContact C-N 3.35Å; Y613-R615 PolarHBondContact O-N 3Å; R615-Q617 PolarHBondContact O-N 3.41Å; R615-Q618 PolarHBondContact O-N 3.02Å; R615-H619 PolarHBondContact O-CD2 3.17Å; R615-H619 PolarHBondContact O-N 3.25Å
616	L	80.3	Confident	75	Confident	113 Å²	113	113.4 Å²	113.4	59%	0.592	53%	0.528	S	S	*	.	H	α-helix	trans	-62.8	-39.5	177.2	-74.6	167.4	0	0	0	112.5	M612 Y613 H619 R620	M612-L616 WeakPolarHBondContact O-CG 3.48Å; M612-L616 PolarHBondContact O-N 3.41Å; Y613-L616 PolarHBondContact O-N 3.38Å; L616-H619 PolarHBondContact O-N 2.92Å; L616-R620 PolarHBondContact O-N 3.46Å
617	Q	80.6	Confident	73.3	Confident	70 Å²	70	109.9 Å²	109.9	33%	0.327	54%	0.536	S	S	.	.	H	α-helix	trans	-67.7	-37.1	175.4	-67.8	-55.9	-38	0	0	112.3	Y613 K614 R615 R620 Y621	Y613-Q617 HydrophobicContact CD1-CG 4.13Å; Y613-Q617 HydrophobicContact CD2-CG 4.42Å; Y613-Q617 HydrophobicContact CE1-CG 3.64Å; Y613-Q617 HydrophobicContact CE2-CG 3.98Å; Y613-Q617 VanDerWaalsContact CE2-NE2 3.28Å; Y613-Q617 WeakPolarHBondContact O-CG 3.37Å; Y613-Q617 PolarHBondContact O-N 2.96Å; Y613-Q617 PolarHBondContact OH-NE2 3.28Å; K614-Q617 PolarHBondContact O-N 3.36Å; R615-Q617 PolarHBondContact O-N 3.41Å; Q617-R620 PolarHBondContact O-N 3.22Å; Q617-Y621 WeakPolarHBondContact O-CB 3.43Å; Q617-Y621 PolarHBondContact O-N 3.41Å
618	Q	75.8	Confident	71.4	Confident	127 Å²	127	107.2 Å²	107.2	59%	0.593	54%	0.544	S	S	*	.	H	α-helix	trans	-62.5	-42.9	173.5	-75.4	176	-22.7	0	0	111.8	K614 R615 Y621 L622	K614-Q618 WeakPolarHBondContact O-CG 3.42Å; K614-Q618 PolarHBondContact O-N 3.45Å; R615-Q618 PolarHBondContact O-N 3.02Å; Q618-Y621 PolarHBondContact O-N 3.03Å; Q618-L622 WeakPolarHBondContact O-CG 3.38Å; Q618-L622 PolarHBondContact O-N 3.36Å
619	H	68.6	Low	69.5	Low	120 Å²	120	111 Å²	111	56%	0.556	56%	0.562	S	S	*	*	H	α-helix	trans	-63.8	-44.7	174.3	-77.3	-66.8	0	0	0	112.4	R615 L616 Y621 L622 D623	R615-H619 PolarHBondContact O-CD2 3.17Å; R615-H619 PolarHBondContact O-N 3.25Å; L616-H619 PolarHBondContact O-N 2.92Å; H619-Y621 VanDerWaalsContact C-N 3.29Å; H619-Y621 PolarHBondContact O-N 3.47Å; H619-L622 PolarHBondContact O-N 3.46Å; H619-D623 PolarHBondContact O-N 3.48Å
620	R	65.7	Low	67.3	Low	179 Å²	179	117.6 Å²	117.6	68%	0.675	60%	0.599	S	S	*	*	H	α-helix	trans	-60.2	-37.5	174.8	-90.3	-173.4	171.6	-173.1	-0.5	113.3	L616 Q617 A624	L616-R620 PolarHBondContact O-N 3.46Å; Q617-R620 PolarHBondContact O-N 3.22Å; R620-A624 WeakPolarHBondContact O-CB 3.38Å; R620-A624 PolarHBondContact O-N 3.02Å
621	Y	59.3	Low	66.2	Low	153 Å²	153	119.2 Å²	119.2	60%	0.6	61%	0.61	S	S	*	*	H	α-helix	trans	-70.6	-35	178.2	-164.6	-92.8	0	0	0	111.8	Q617 Q618 H619 H625	Q617-Y621 WeakPolarHBondContact O-CB 3.43Å; Q617-Y621 PolarHBondContact O-N 3.41Å; Q618-Y621 PolarHBondContact O-N 3.03Å; H619-Y621 VanDerWaalsContact C-N 3.29Å; H619-Y621 PolarHBondContact O-N 3.47Å; Y621-H625 AromaticContact CE1-CD2 3.56Å; Y621-H625 AromaticContact CE1-NE2 3.38Å; Y621-H625 WeakPolarHBondContact CE1-NE2 3.35Å; Y621-H625 AromaticContact CZ-CD2 3.99Å; Y621-H625 AromaticContact CZ-CE1 3.92Å; Y621-H625 AromaticContact CZ-NE2 3.3Å; Y621-H625 VanDerWaalsContact CZ-NE2 3.3Å; Y621-H625 PolarHBondContact O-N 3.2Å; Y621-H625 PolarHBondContact OH-NE2 3.29Å
622	L	58.9	Low	65.1	Low	103 Å²	103	121.3 Å²	121.3	54%	0.539	62%	0.623	S	S	.	*	H	α-helix	trans	-68.3	-41.4	172.8	-71.9	164.8	0	0	0	111.9	Q618 H619 A624 H625 C626	Q618-L622 WeakPolarHBondContact O-CG 3.38Å; Q618-L622 PolarHBondContact O-N 3.36Å; H619-L622 PolarHBondContact O-N 3.46Å; L622-A624 VanDerWaalsContact C-N 3.34Å; L622-A624 PolarHBondContact O-N 2.93Å; L622-H625 PolarHBondContact O-N 3.35Å; L622-C626 PolarHBondContact O-N 3.26Å; L622-C626 PolarHBondContact O-SG 2.99Å
623	D	58.8	Low	64	Low	121 Å²	121	124.1 Å²	124.1	65%	0.647	64%	0.638	S	S	*	*	H	α-helix	trans	-66.9	-34.8	176.6	-70.6	-22.4	0	0	0	112.4	H619 H625	H619-D623 PolarHBondContact O-N 3.48Å; D623-H625 VanDerWaalsContact C-N 3.3Å; D623-H625 PolarHBondContact O-N 3.48Å
624	A	58.9	Low	62.7	Low	72 Å²	72	123.8 Å²	123.8	60%	0.595	65%	0.646	S	S	*	*	H	α-helix	trans	-68.7	-27.1	175.7	0	0	0	0	0	113.1	R620 L622	R620-A624 WeakPolarHBondContact O-CB 3.38Å; R620-A624 PolarHBondContact O-N 3.02Å; L622-A624 VanDerWaalsContact C-N 3.34Å; L622-A624 PolarHBondContact O-N 2.93Å
625	H	56.8	Low	61.3	Low	122 Å²	122	126.1 Å²	126.1	57%	0.565	66%	0.663	S	S	*	*	H	α-helix	trans	-96.4	-16	-179.8	-74.8	6.4	0	0	0	113.9	Y621 L622 D623 G627	Y621-H625 AromaticContact CE1-CD2 3.56Å; Y621-H625 AromaticContact CE1-NE2 3.38Å; Y621-H625 WeakPolarHBondContact CE1-NE2 3.35Å; Y621-H625 AromaticContact CZ-CD2 3.99Å; Y621-H625 AromaticContact CZ-CE1 3.92Å; Y621-H625 AromaticContact CZ-NE2 3.3Å; Y621-H625 VanDerWaalsContact CZ-NE2 3.3Å; Y621-H625 PolarHBondContact O-N 3.2Å; Y621-H625 PolarHBondContact OH-NE2 3.29Å; L622-H625 PolarHBondContact O-N 3.35Å; D623-H625 VanDerWaalsContact C-N 3.3Å; D623-H625 PolarHBondContact O-N 3.48Å; H625-G627 VanDerWaalsContact C-N 3.34Å
626	C	55.5	Low	60	Low	108 Å²	108	124.3 Å²	124.3	73%	0.73	67%	0.668	S	S	*	*	G	3₁₀ helix	trans	-85.9	-1.7	170.4	-73.4	0	0	0	0	113.8	L622 G628	L622-C626 PolarHBondContact O-N 3.26Å; L622-C626 PolarHBondContact O-SG 2.99Å; C626-G628 VanDerWaalsContact C-N 3.31Å
627	G	51.3	Low	58.5	Low	71 Å²	71	125.1 Å²	125.1	73%	0.732	67%	0.674	S	S	*	*	G	3₁₀ helix	trans	-86	10	174	0	0	0	0	0	115.4	H625	H625-G627 VanDerWaalsContact C-N 3.34Å
628	G	45.6	Very low	56.8	Low	67 Å²	67	129.3 Å²	129.3	69%	0.691	70%	0.701	S	S	*	*	G	3₁₀ helix	trans	-107.6	-1.1	-173.3	0	0	0	0	0	116.8	C626	C626-G628 VanDerWaalsContact C-N 3.31Å
629	E	43.7	Very low	55.2	Low	192 Å²	192	129.5 Å²	129.5	90%	0.897	71%	0.71	S	S	*	*			trans	-129.1	88.2	174.1	-72	-173.6	168.7	0	0	109.5
630	L	39.7	Very low	54	Low	246 Å²	246	130.4 Å²	130.4	100%	1.288	72%	0.724	S	S	*	*			trans	-124.7	0	162.6	-106.1	167.3	0	0	0	108.7

Retrieved 630 of 630 residues in 739.5 ms (Link to these results)

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