A0A087XPD8_POEFO Loading...

Glycogen [starch] synthase

Glycogen synthase participates in the glycogen biosynthetic process along with glycogenin and glycogen branching enzyme. Extends the primer composed of a few glucose units formed by glycogenin by adding new glucose units to it. In this context, glycogen synthase transfers the glycosyl residue from UDP-Glc to the non-reducing end of alpha-1,4-glucan. Transfers the glycosyl residue from UDP-Glc to the non-reducing end of alpha-1,4-glucan.

AlphaFold DB , UniProt , Accession A0A087XPD8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 709 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	27.8	Very low	28.3	Very low	235 Å²	235	134.3 Å²	134.3	100%	1.158	76%	0.758	S	S	*	*				0	116.5	0	-69.2	-176.8	-171	0	0	107.1
2	P	28.9	Very low	29.5	Very low	133 Å²	133	125.9 Å²	125.9	86%	0.864	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-75.5	129.9	171.6	7.2	9.7	0	0	0	108.3	A4	P2-A4 PolarHBondContact O-N 3.11Å
3	L	23.9	Very low	29.7	Very low	176 Å²	176	123.4 Å²	123.4	92%	0.921	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-57.1	129.6	174.8	-78	145	0	0	0	109.7	R5	L3-R5 PolarHBondContact O-N 3.46Å
4	A	24	Very low	30.2	Very low	97 Å²	97	116.9 Å²	116.9	80%	0.802	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-55.4	133.3	176.2	0	0	0	0	0	110.6	P2 S6	P2-A4 PolarHBondContact O-N 3.11Å; A4-S6 PolarHBondContact O-N 3.45Å
5	R	25.8	Very low	30.7	Very low	244 Å²	244	111.6 Å²	111.6	92%	0.921	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-49.4	120.7	166.7	-76.6	176.4	169.9	173.2	-5.5	108.3	L3 L7	L3-R5 PolarHBondContact O-N 3.46Å; R5-L7 PolarHBondContact O-N 3.39Å
6	S	23.1	Very low	30.9	Very low	116 Å²	116	112.2 Å²	112.2	81%	0.811	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-65.3	116.3	168.5	56.1	0	0	0	0	108.2	A4 S8	A4-S6 PolarHBondContact O-N 3.45Å; S6-S8 PolarHBondContact O-N 3.26Å; S6-S8 VanDerWaalsContact O-N 3.12Å
7	L	23.8	Very low	31.5	Very low	166 Å²	166	114.5 Å²	114.5	87%	0.869	65%	0.65	S	S	*	*			trans	-56.4	114.1	170.9	-79.1	151.4	0	0	0	109.1	R5 V9	R5-L7 PolarHBondContact O-N 3.39Å; L7-V9 PolarHBondContact O-N 3.1Å; L7-V9 VanDerWaalsContact O-N 3.17Å
8	S	28.1	Very low	32.1	Very low	82 Å²	82	115.5 Å²	115.5	57%	0.573	64%	0.642	S	S	*	*			trans	-65.7	106.4	166.7	161.9	0	0	0	0	107.8	S6 T10	S6-S8 PolarHBondContact O-N 3.26Å; S6-S8 VanDerWaalsContact O-N 3.12Å; S8-T10 PolarHBondContact O-N 3.12Å
9	V	30.3	Very low	32.5	Very low	116 Å²	116	115.6 Å²	115.6	70%	0.703	64%	0.641	S	S	*	*			trans	-71.8	92.8	174.6	-177.7	0	0	0	0	108.2	L7	L7-V9 PolarHBondContact O-N 3.1Å; L7-V9 VanDerWaalsContact O-N 3.17Å
10	T	36.8	Very low	33.1	Very low	83 Å²	83	118.2 Å²	118.2	51%	0.509	65%	0.648	S	S	.	*			trans	-71.8	123.7	169.9	40.6	0	0	0	0	109.1	S8 L12	S8-T10 PolarHBondContact O-N 3.12Å; T10-L12 PolarHBondContact O-N 2.9Å
11	S	39.2	Very low	33.8	Very low	29 Å²	29	121.8 Å²	121.8	20%	0.203	66%	0.66	C	S	.	*	T	Hydrogen-bonded Turn	trans	-76.3	6.8	175.6	27	0	0	0	0	113.6	K286 D594	S11-K286 PolarHBondContact OG-NZ 3.22Å; S11-D594 WeakPolarHBondContact CB-OD2 3.27Å; S11-D594 VanDerWaalsContact OG-CG 3.3Å; S11-D594 PolarHBondContact OG-OD2 3.06Å
12	L	41.8	Very low	35.2	Very low	34 Å²	34	113.6 Å²	113.6	18%	0.178	62%	0.618	C	S	.	*	T	Hydrogen-bonded Turn	trans	-125.4	43.7	-179.8	-66.4	169.1	0	0	0	110.8	T10 G14 L15 D594 Y600 F634	T10-L12 PolarHBondContact O-N 2.9Å; L12-G14 PolarHBondContact O-N 2.86Å; L12-L15 HydrophobicContact CB-CD1 3.96Å; L12-L15 HydrophobicContact CD1-CD1 4.04Å; L12-L15 HydrophobicContact CD2-CD1 4.49Å; L12-L15 HydrophobicContact CG-CD1 4.41Å; L12-L15 PolarHBondContact O-N 3.4Å; L12-D594 HydrophobicContact CD1-CB 4.25Å; L12-Y600 HydrophobicContact CD1-CD2 4.31Å; L12-F634 HydrophobicContact CD2-CE1 4.26Å; L12-F634 HydrophobicContact CD2-CE2 4.13Å; L12-F634 HydrophobicContact CD2-CZ 3.76Å
13	S	32.9	Very low	36.5	Very low	93 Å²	93	114.8 Å²	114.8	65%	0.65	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.7	51.5	-177.8	62.7	0	0	0	0	113.9
14	G	36	Very low	38.7	Very low	33 Å²	33	107.9 Å²	107.9	34%	0.34	58%	0.576	S	S	.	*	T	Hydrogen-bonded Turn	trans	-171.7	6.7	-179.1	0	0	0	0	0	114.8	L12	L12-G14 PolarHBondContact O-N 2.86Å
15	L	37.5	Very low	40.8	Very low	37 Å²	37	111 Å²	111	19%	0.194	57%	0.574	C	S	.	*	S	Bend	trans	-79.4	127.2	158.9	-67.7	163.2	0	0	0	105.5	L12 E17 Y600 F634	L12-L15 HydrophobicContact CB-CD1 3.96Å; L12-L15 HydrophobicContact CD1-CD1 4.04Å; L12-L15 HydrophobicContact CD2-CD1 4.49Å; L12-L15 HydrophobicContact CG-CD1 4.41Å; L12-L15 PolarHBondContact O-N 3.4Å; L15-E17 PolarHBondContact O-N 3.21Å; L15-Y600 HydrophobicContact CD1-CD2 3.48Å; L15-Y600 VanDerWaalsContact CD1-CD2 3.48Å; L15-Y600 HydrophobicContact CD1-CE2 3.38Å; L15-Y600 HydrophobicContact CD2-CE2 3.99Å; L15-Y600 HydrophobicContact CG-CE2 4.34Å; L15-F634 HydrophobicContact CD2-CB 3.85Å; L15-F634 HydrophobicContact CD2-CD2 4.47Å; L15-F634 HydrophobicContact CD2-CG 4.3Å
16	D	35	Very low	43.4	Very low	121 Å²	121	104.7 Å²	104.7	65%	0.647	56%	0.559	S	S	*	*	P	Polyproline II helix	trans	-48.1	117.4	165.9	-70.5	-37.2	0	0	0	106.3	W18	D16-W18 PolarHBondContact O-N 2.83Å
17	E	40	Very low	46.6	Very low	152 Å²	152	99.2 Å²	99.2	71%	0.71	52%	0.52	S	S	*	.	P	Polyproline II helix	trans	-54	119	161.5	-67.6	-178	143.4	0	0	103.3	L15 D19	L15-E17 PolarHBondContact O-N 3.21Å; E17-D19 HydrophobicContact CB-CB 4.33Å; E17-D19 VanDerWaalsContact CB-CG 3.43Å; E17-D19 VanDerWaalsContact CB-OD1 3.29Å; E17-D19 WeakPolarHBondContact CB-OD1 3.48Å; E17-D19 PolarHBondContact O-N 2.66Å
18	W	43.3	Very low	50	Low	132 Å²	132	91.5 Å²	91.5	50%	0.5	48%	0.48	S	S	.	.			trans	-70	69.9	165.7	-78	18.8	0	0	0	105.3	D16 E20 A607 Q626	D16-W18 PolarHBondContact O-N 2.83Å; W18-E20 PolarHBondContact O-N 2.84Å; W18-A607 HydrophobicContact CZ3-CB 4.15Å; W18-Q626 VanDerWaalsContact CH2-OE1 3.27Å; W18-Q626 VanDerWaalsContact CZ2-CD 3.44Å
19	D	39	Very low	53.3	Low	118 Å²	118	87.6 Å²	87.6	63%	0.631	45%	0.453	S	S	*	.			trans	-73.8	34	178.3	-86.2	-16.3	0	0	0	110.4	E17 E21	E17-D19 HydrophobicContact CB-CB 4.33Å; E17-D19 VanDerWaalsContact CB-CG 3.43Å; E17-D19 VanDerWaalsContact CB-OD1 3.29Å; E17-D19 WeakPolarHBondContact CB-OD1 3.48Å; E17-D19 PolarHBondContact O-N 2.66Å; D19-E21 PolarHBondContact O-N 2.57Å; D19-E21 VanDerWaalsContact O-N 3.14Å
20	E	44	Very low	56.6	Low	166 Å²	166	82 Å²	82	78%	0.776	42%	0.419	S	S	*	.			trans	-82.5	83.1	157.2	-70.1	-173.9	-179.5	0	0	105.4	W18 F22	W18-E20 PolarHBondContact O-N 2.84Å; E20-F22 PolarHBondContact O-N 2.79Å
21	E	47.5	Very low	59.5	Low	194 Å²	194	78.1 Å²	78.1	91%	0.907	40%	0.395	S	S	*	.			trans	-52.7	96.1	160.4	-90.6	-175.7	161.3	0	0	106.8	D19	D19-E21 PolarHBondContact O-N 2.57Å; D19-E21 VanDerWaalsContact O-N 3.14Å
22	F	57.5	Low	62.3	Low	63 Å²	63	76.8 Å²	76.8	28%	0.276	39%	0.386	S	S	.	.			trans	-85	124.6	176.9	-170.4	-94.7	0	0	0	107.7	E20 L24 L613 Y621	E20-F22 PolarHBondContact O-N 2.79Å; F22-L24 VanDerWaalsContact C-N 3.29Å; F22-L24 HydrophobicContact CD1-CD2 3.71Å; F22-L24 HydrophobicContact CD1-CG 4.03Å; F22-L24 HydrophobicContact CE1-CD2 4.02Å; F22-L24 PolarHBondContact O-N 3.41Å; F22-L613 HydrophobicContact CE1-CD1 4.03Å; F22-L613 HydrophobicContact CZ-CD1 4.13Å; F22-Y621 HydrophobicContact CE1-CD1 4.06Å; F22-Y621 AromaticContact CE1-CE1 3.6Å; F22-Y621 HydrophobicContact CE1-CE1 3.6Å; F22-Y621 AromaticContact CE2-CD1 3.7Å; F22-Y621 HydrophobicContact CE2-CD1 3.7Å; F22-Y621 HydrophobicContact CE2-CE1 4.05Å; F22-Y621 AromaticContact CZ-CD1 3.12Å; F22-Y621 HydrophobicContact CZ-CD1 3.12Å; F22-Y621 AromaticContact CZ-CE1 3.14Å; F22-Y621 HydrophobicContact CZ-CE1 3.14Å; F22-Y621 HydrophobicContact CZ-CG 4.14Å
23	E	57.9	Low	65.1	Low	159 Å²	159	75.2 Å²	75.2	74%	0.743	38%	0.378	S	S	*	.			trans	-67.9	89.8	175.4	-72.3	-178.6	171	0	0	109.2	E25	E23-E25 PolarHBondContact O-N 3.43Å
24	L	69.6	Low	68.1	Low	30 Å²	30	72.9 Å²	72.9	16%	0.157	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-74.8	4.4	172.6	-70.8	172.1	0	0	0	112.6	F22 D26 A27 E57 W58	F22-L24 VanDerWaalsContact C-N 3.29Å; F22-L24 HydrophobicContact CD1-CD2 3.71Å; F22-L24 HydrophobicContact CD1-CG 4.03Å; F22-L24 HydrophobicContact CE1-CD2 4.02Å; F22-L24 PolarHBondContact O-N 3.41Å; L24-D26 PolarHBondContact O-N 3.04Å; L24-D26 VanDerWaalsContact O-N 3.14Å; L24-A27 HydrophobicContact CD2-CB 4.42Å; L24-A27 PolarHBondContact O-N 3.05Å; L24-A27 VanDerWaalsContact O-N 3.09Å; L24-E57 HydrophobicContact CD1-CG 4.11Å; L24-W58 HydrophobicContact CD1-CD2 4.3Å; L24-W58 HydrophobicContact CD1-CZ2 4.47Å; L24-W58 HydrophobicContact CD2-CE3 4.48Å; L24-W58 HydrophobicContact CD2-CH2 3.61Å; L24-W58 HydrophobicContact CD2-CZ2 3.66Å; L24-W58 HydrophobicContact CD2-CZ3 4.03Å
25	E	66.8	Low	71.1	Confident	163 Å²	163	72.3 Å²	72.3	76%	0.762	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-57.6	-31.9	-174.2	-65.3	-164.9	161.9	0	0	112.1	E23	E23-E25 PolarHBondContact O-N 3.43Å
26	D	80.5	Confident	73.9	Confident	112 Å²	112	70.5 Å²	70.5	60%	0.599	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-102.8	17.8	-178.9	-68.1	-25.6	0	0	0	114.3	L24 P173 H174	L24-D26 PolarHBondContact O-N 3.04Å; L24-D26 VanDerWaalsContact O-N 3.14Å; D26-P173 WeakPolarHBondContact O-CB 3.4Å; D26-H174 PolarHBondContact O-N 3.05Å; D26-H174 PolarHBondContact O-ND1 3.41Å
27	A	91.4	Very high	76.8	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	146.8	-179.4	0	0	0	0	0	113.1	L24 W58 N61 H174	L24-A27 HydrophobicContact CD2-CB 4.42Å; L24-A27 PolarHBondContact O-N 3.05Å; L24-A27 VanDerWaalsContact O-N 3.09Å; A27-W58 HydrophobicContact CB-CH2 4.01Å; A27-W58 HydrophobicContact CB-CZ3 3.74Å; A27-N61 PolarHBondContact O-ND2 2.94Å; A27-H174 WeakPolarHBondContact CA-O 2.98Å; A27-H174 HydrophobicContact CB-CB 4.46Å
28	V	95.2	Very high	79.5	Confident	4 Å²	4	58.4 Å²	58.4	2%	0.024	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	133.7	175.6	176.9	0	0	0	0	109.9	F30 N61 F63 Y165 P173 H174 V176	V28-F30 HydrophobicContact CB-CE2 4.45Å; V28-F30 HydrophobicContact CG1-CD2 4.03Å; V28-F30 HydrophobicContact CG1-CE2 3.49Å; V28-F30 VanDerWaalsContact CG1-CE2 3.49Å; V28-F30 HydrophobicContact CG1-CZ 4.06Å; V28-N61 WeakPolarHBondContact CG1-O 3.29Å; V28-N61 HydrophobicContact CG2-CB 4.32Å; V28-F63 HydrophobicContact CG1-CD2 3.76Å; V28-F63 HydrophobicContact CG1-CE2 3.7Å; V28-Y165 HydrophobicContact CG1-CE1 4.4Å; V28-Y165 HydrophobicContact CG2-CE1 4.48Å; V28-P173 HydrophobicContact CB-CG 4.47Å; V28-P173 HydrophobicContact CG2-CB 4.05Å; V28-P173 HydrophobicContact CG2-CG 3.78Å; V28-H174 PolarHBondContact N-O 2.95Å; V28-V176 PolarHBondContact O-N 3.41Å
29	L	97.3	Very high	81.7	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	119.6	-179.6	176.5	63.4	0	0	0	111.2	T54 W58 N61 Y62 F63 V176 Q178	L29-T54 HydrophobicContact CD2-CG2 3.66Å; L29-W58 HydrophobicContact CB-CD2 3.6Å; L29-W58 HydrophobicContact CB-CE3 3.46Å; L29-W58 VanDerWaalsContact CB-CE3 3.46Å; L29-W58 HydrophobicContact CB-CG 4.29Å; L29-W58 HydrophobicContact CB-CH2 3.98Å; L29-W58 HydrophobicContact CB-CZ2 4.13Å; L29-W58 HydrophobicContact CB-CZ3 3.65Å; L29-W58 HydrophobicContact CD2-CD2 3.97Å; L29-W58 HydrophobicContact CD2-CG 4.08Å; L29-W58 HydrophobicContact CD2-CZ2 4.33Å; L29-W58 HydrophobicContact CG-CD2 4.43Å; L29-N61 PolarHBondContact N-O 3Å; L29-Y62 HydrophobicContact CB-CD2 4.35Å; L29-Y62 HydrophobicContact CD2-CD2 3.68Å; L29-Y62 HydrophobicContact CD2-CE2 3.98Å; L29-Y62 HydrophobicContact CG-CD2 3.93Å; L29-Y62 HydrophobicContact CG-CE2 4.37Å; L29-F63 PolarHBondContact O-N 3.39Å; L29-V176 WeakPolarHBondContact CA-O 3.41Å; L29-V176 HydrophobicContact CD1-CB 3.99Å; L29-V176 HydrophobicContact CD1-CG1 3.83Å; L29-Q178 HydrophobicContact CD1-CB 4.5Å
30	F	98.5	Very high	84	Confident	0 Å²	0	58 Å²	58	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	117.2	164.4	-66.5	-91.6	0	0	0	109.5	V28 I32 F63 V65 L162 Y165 I175 V176 A177 Q178	V28-F30 HydrophobicContact CB-CE2 4.45Å; V28-F30 HydrophobicContact CG1-CD2 4.03Å; V28-F30 HydrophobicContact CG1-CE2 3.49Å; V28-F30 VanDerWaalsContact CG1-CE2 3.49Å; V28-F30 HydrophobicContact CG1-CZ 4.06Å; F30-I32 HydrophobicContact CB-CD1 3.9Å; F30-I32 HydrophobicContact CB-CG1 4.42Å; F30-I32 WeakPolarHBondContact O-CD1 3.42Å; F30-F63 CarbonylContact C-O 3.59Å; F30-F63 VanDerWaalsContact CA-O 3.31Å; F30-F63 WeakPolarHBondContact CA-O 3.36Å; F30-F63 HydrophobicContact CD1-CB 3.69Å; F30-F63 HydrophobicContact CD1-CD2 4.3Å; F30-F63 HydrophobicContact CD1-CG 4.35Å; F30-F63 HydrophobicContact CE1-CB 3.81Å; F30-F63 AromaticContact CE1-CD2 3.79Å; F30-F63 HydrophobicContact CE1-CD2 3.79Å; F30-F63 AromaticContact CE1-CG 3.99Å; F30-F63 HydrophobicContact CE1-CG 3.99Å; F30-F63 HydrophobicContact CE2-CD2 4.43Å; F30-F63 HydrophobicContact CG-CB 4.49Å; F30-F63 AromaticContact CZ-CD2 3.87Å; F30-F63 HydrophobicContact CZ-CD2 3.87Å; F30-F63 HydrophobicContact CZ-CE2 4.49Å; F30-V65 HydrophobicContact CB-CG2 4.45Å; F30-V65 HydrophobicContact CD1-CG2 3.86Å; F30-L162 HydrophobicContact CB-CD2 3.85Å; F30-L162 HydrophobicContact CD1-CD2 4.18Å; F30-L162 HydrophobicContact CD2-CD2 3.56Å; F30-L162 HydrophobicContact CE2-CD2 4.12Å; F30-L162 HydrophobicContact CG-CD2 3.59Å; F30-Y165 HydrophobicContact CE2-CD1 4.06Å; F30-Y165 HydrophobicContact CE2-CE1 4.18Å; F30-Y165 HydrophobicContact CE2-CG 4.33Å; F30-Y165 HydrophobicContact CZ-CD1 4.1Å; F30-Y165 AromaticContact CZ-CD2 3.96Å; F30-Y165 HydrophobicContact CZ-CD2 3.96Å; F30-Y165 HydrophobicContact CZ-CE1 4.27Å; F30-Y165 HydrophobicContact CZ-CE2 4.13Å; F30-Y165 AromaticContact CZ-CG 3.95Å; F30-Y165 HydrophobicContact CZ-CG 3.95Å; F30-I175 HydrophobicContact CD2-CG2 3.77Å; F30-I175 HydrophobicContact CE2-CG2 4.04Å; F30-V176 PolarHBondContact N-O 3.02Å; F30-A177 CarbonylContact O-C 3.5Å; F30-A177 VanDerWaalsContact O-CA 3.31Å; F30-A177 WeakPolarHBondContact O-CA 3.31Å; F30-Q178 PolarHBondContact O-N 3.15Å
31	E	98.7	Very high	86	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	112.5	174.3	-173.8	170.8	171.6	0	0	109.3	K50 Y62 F63 L64 V65 Q178 H180 R609	E31-K50 WeakPolarHBondContact OE1-CE 3.26Å; E31-K50 IonicContact OE1-NZ 2.8Å; E31-K50 PolarHBondContact OE1-NZ 3.33Å; E31-K50 IonicContact OE2-NZ 3.09Å; E31-K50 PolarHBondContact OE2-NZ 3.25Å; E31-Y62 HydrophobicContact CB-CE2 3.82Å; E31-Y62 WeakPolarHBondContact OE2-CE2 3.29Å; E31-Y62 PolarHBondContact OE2-OH 2.96Å; E31-F63 PolarHBondContact N-O 3.19Å; E31-L64 HydrophobicContact CB-CD2 3.87Å; E31-L64 HydrophobicContact CG-CD2 4.08Å; E31-L64 CarbonylContact O-C 3.55Å; E31-L64 WeakPolarHBondContact O-CA 3.44Å; E31-V65 PolarHBondContact O-N 2.79Å; E31-Q178 CarbonylContact C-O 3.59Å; E31-Q178 WeakPolarHBondContact CA-O 3.23Å; E31-Q178 HydrophobicContact CG-CB 4.48Å; E31-H180 IonicContact OE1-CD2 2.92Å; E31-H180 IonicContact OE1-NE2 2.76Å; E31-H180 PolarHBondContact OE1-NE2 3.26Å; E31-R609 IonicContact OE2-NH2 3.15Å
32	I	98.8	Very high	87.8	Confident	1 Å²	1	43.7 Å²	43.7	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	122.5	-165.2	-54.9	108.3	0	0	0	109.7	F30 V65 F154 T158 A177 Q178 F179 H180 A184	F30-I32 HydrophobicContact CB-CD1 3.9Å; F30-I32 HydrophobicContact CB-CG1 4.42Å; F30-I32 WeakPolarHBondContact O-CD1 3.42Å; I32-V65 WeakPolarHBondContact CA-O 3.2Å; I32-V65 HydrophobicContact CB-CB 4.27Å; I32-V65 HydrophobicContact CG1-CB 3.72Å; I32-V65 HydrophobicContact CG1-CG1 4.48Å; I32-V65 HydrophobicContact CG1-CG2 3.92Å; I32-V65 HydrophobicContact CG2-CB 4.19Å; I32-V65 HydrophobicContact CG2-CG1 4.46Å; I32-F154 HydrophobicContact CG2-CE1 3.81Å; I32-F154 HydrophobicContact CG2-CZ 3.83Å; I32-T158 HydrophobicContact CG2-CG2 3.75Å; I32-A177 HydrophobicContact CD1-CB 3.91Å; I32-Q178 PolarHBondContact N-O 3.31Å; I32-F179 HydrophobicContact CB-CD1 3.86Å; I32-F179 HydrophobicContact CB-CE1 4.12Å; I32-F179 HydrophobicContact CB-CG 4.43Å; I32-F179 HydrophobicContact CD1-CD1 4.11Å; I32-F179 HydrophobicContact CD1-CD2 4.21Å; I32-F179 HydrophobicContact CD1-CE1 3.83Å; I32-F179 HydrophobicContact CD1-CE2 3.96Å; I32-F179 HydrophobicContact CD1-CG 4.31Å; I32-F179 HydrophobicContact CD1-CZ 3.77Å; I32-F179 HydrophobicContact CG1-CD1 4.44Å; I32-F179 HydrophobicContact CG1-CE1 4.24Å; I32-F179 HydrophobicContact CG2-CD1 3.96Å; I32-F179 HydrophobicContact CG2-CE1 4.09Å; I32-F179 WeakPolarHBondContact O-CA 3.3Å; I32-H180 PolarHBondContact O-N 3.32Å; I32-A184 HydrophobicContact CG2-CB 4.13Å
33	A	98.5	Very high	89.6	Confident	1 Å²	1	41.6 Å²	41.6	1%	0.008	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	151.9	173.5	0	0	0	0	0	111.8	E35 V36 I43 I47 V65 H180	A33-E35 PolarHBondContact O-N 3.42Å; A33-V36 HydrophobicContact CB-CG2 4.09Å; A33-V36 PolarHBondContact O-N 2.94Å; A33-I43 HydrophobicContact CB-CG2 4.36Å; A33-I47 HydrophobicContact CB-CD1 3.32Å; A33-V65 PolarHBondContact N-O 3.05Å; A33-H180 HydrophobicContact CB-CB 3.82Å
34	W	97.9	Very high	91.3	Very high	45 Å²	45	34.7 Å²	34.7	17%	0.17	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-23.8	174.3	-168.6	-99.2	0	0	0	113.5	N38 P67 V119 D150 F154 L183	W34-N38 PolarHBondContact O-ND2 2.82Å; W34-N38 VanDerWaalsContact O-ND2 3.09Å; W34-P67 HydrophobicContact CD2-CG 3.89Å; W34-P67 HydrophobicContact CE3-CB 4.28Å; W34-P67 HydrophobicContact CE3-CG 4.03Å; W34-P67 HydrophobicContact CG-CG 4.34Å; W34-P67 HydrophobicContact CH2-CB 3.96Å; W34-P67 HydrophobicContact CH2-CG 4.31Å; W34-P67 HydrophobicContact CZ2-CB 4.26Å; W34-P67 HydrophobicContact CZ2-CG 4.23Å; W34-P67 HydrophobicContact CZ3-CB 4Å; W34-P67 HydrophobicContact CZ3-CG 4.24Å; W34-P67 VanDerWaalsContact O-CD 3.23Å; W34-P67 WeakPolarHBondContact O-CD 3.4Å; W34-P67 WeakPolarHBondContact O-CG 3.36Å; W34-V119 HydrophobicContact CH2-CG2 4.36Å; W34-V119 HydrophobicContact CZ3-CG2 4.32Å; W34-D150 HydrophobicContact CH2-CB 3.64Å; W34-D150 HydrophobicContact CZ2-CB 4.24Å; W34-D150 HydrophobicContact CZ3-CB 4.28Å; W34-F154 HydrophobicContact CE3-CB 4.34Å; W34-F154 AromaticContact CE3-CD1 3.92Å; W34-F154 HydrophobicContact CE3-CD1 3.92Å; W34-F154 HydrophobicContact CE3-CE1 4.41Å; W34-F154 HydrophobicContact CE3-CG 4.08Å; W34-F154 HydrophobicContact CZ3-CB 3.8Å; W34-F154 HydrophobicContact CZ3-CD1 4.22Å; W34-F154 HydrophobicContact CZ3-CD2 4.42Å; W34-F154 AromaticContact CZ3-CG 3.9Å; W34-F154 HydrophobicContact CZ3-CG 3.9Å; W34-L183 HydrophobicContact CB-CB 3.93Å; W34-L183 HydrophobicContact CB-CD1 3.93Å; W34-L183 HydrophobicContact CG-CB 4.31Å; W34-L183 HydrophobicContact CG-CD1 3.86Å
35	E	97.4	Very high	92.3	Very high	20 Å²	20	35 Å²	35	9%	0.093	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	2.7	-174.8	-63.9	-165.9	-140.1	0	0	114.3	A33 A37 N38 V40 G41 I43 Y44	A33-E35 PolarHBondContact O-N 3.42Å; E35-A37 PolarHBondContact O-N 3.14Å; E35-N38 CarbonylContact C-O 3.57Å; E35-N38 WeakPolarHBondContact CA-O 3.44Å; E35-N38 WeakPolarHBondContact CB-O 3.49Å; E35-N38 CarbonylContact O-C 3.56Å; E35-N38 PolarHBondContact O-N 2.81Å; E35-N38 VanDerWaalsContact O-N 3.09Å; E35-V40 HydrophobicContact CG-CB 4.04Å; E35-V40 HydrophobicContact CG-CG2 4.4Å; E35-G41 VanDerWaalsContact CD-N 3.33Å; E35-G41 PolarHBondContact OE1-N 2.72Å; E35-G41 VanDerWaalsContact OE2-CA 3.31Å; E35-G41 WeakPolarHBondContact OE2-CA 3.43Å; E35-G41 PolarHBondContact OE2-N 3.27Å; E35-I43 HydrophobicContact CB-CB 4.27Å; E35-I43 HydrophobicContact CB-CG2 4.44Å; E35-I43 HydrophobicContact CG-CB 4.24Å; E35-I43 WeakPolarHBondContact OE1-CB 3.36Å; E35-I43 PolarHBondContact OE2-N 3.02Å; E35-Y44 WeakPolarHBondContact O-CD2 3.5Å; E35-Y44 VanDerWaalsContact OE2-CB 3.3Å; E35-Y44 WeakPolarHBondContact OE2-CB 3.32Å; E35-Y44 PolarHBondContact OE2-N 2.99Å
36	V	97.8	Very high	93.6	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	121.1	173	170.6	0	0	0	0	109.3	A33 N38 I47 L64 V65 V114 L116	A33-V36 HydrophobicContact CB-CG2 4.09Å; A33-V36 PolarHBondContact O-N 2.94Å; V36-N38 PolarHBondContact O-N 2.96Å; V36-I47 HydrophobicContact CG2-CD1 4.05Å; V36-I47 HydrophobicContact CG2-CG2 4.43Å; V36-L64 HydrophobicContact CG1-CB 3.82Å; V36-L64 HydrophobicContact CG2-CB 4.33Å; V36-L64 HydrophobicContact CG2-CD2 3.99Å; V36-V65 WeakPolarHBondContact CG2-O 3.49Å; V36-V114 HydrophobicContact CG1-CG1 3.96Å; V36-L116 HydrophobicContact CG1-CD2 4.35Å
37	A	95.8	Very high	94.4	Very high	3 Å²	3	21.9 Å²	21.9	3%	0.025	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	22.7	-173	0	0	0	0	0	114.5	E35 N72 V77 W106 L116	E35-A37 PolarHBondContact O-N 3.14Å; A37-N72 VanDerWaalsContact O-CB 3.31Å; A37-N72 WeakPolarHBondContact O-CB 3.46Å; A37-V77 HydrophobicContact CB-CG2 3.71Å; A37-W106 HydrophobicContact CB-CD2 4.49Å; A37-L116 HydrophobicContact CB-CD2 4.28Å
38	N	95.3	Very high	94.5	Very high	16 Å²	16	24.7 Å²	24.7	9%	0.086	14%	0.138	C	C	.	.			trans	-143.7	90.9	-175.2	179.6	36	0	0	0	110.7	W34 E35 V36 V40 N72	W34-N38 PolarHBondContact O-ND2 2.82Å; W34-N38 VanDerWaalsContact O-ND2 3.09Å; E35-N38 CarbonylContact C-O 3.57Å; E35-N38 WeakPolarHBondContact CA-O 3.44Å; E35-N38 WeakPolarHBondContact CB-O 3.49Å; E35-N38 CarbonylContact O-C 3.56Å; E35-N38 PolarHBondContact O-N 2.81Å; E35-N38 VanDerWaalsContact O-N 3.09Å; V36-N38 PolarHBondContact O-N 2.96Å; N38-V40 PolarHBondContact O-N 3.19Å; N38-N72 PolarHBondContact OD1-ND2 3.29Å
39	K	90.6	Very high	94.4	Very high	141 Å²	141	25.4 Å²	25.4	61%	0.613	14%	0.143	S	C	*	.			trans	-72.9	100.9	-175	-170.5	173.5	-177.2	176.2	0	111.7	Y44	K39-Y44 VanDerWaalsContact CA-CD2 3.43Å; K39-Y44 HydrophobicContact CB-CD1 4.14Å; K39-Y44 HydrophobicContact CB-CD2 3.59Å; K39-Y44 HydrophobicContact CB-CE1 4.33Å; K39-Y44 HydrophobicContact CB-CE2 3.77Å; K39-Y44 HydrophobicContact CB-CG 3.79Å; K39-Y44 HydrophobicContact CD-CD1 3.98Å; K39-Y44 HydrophobicContact CD-CE1 4.01Å; K39-Y44 HydrophobicContact CD-CG 4.45Å; K39-Y44 HydrophobicContact CG-CD1 3.81Å; K39-Y44 HydrophobicContact CG-CD2 4.14Å; K39-Y44 HydrophobicContact CG-CE1 4.23Å; K39-Y44 HydrophobicContact CG-CE2 4.49Å; K39-Y44 HydrophobicContact CG-CG 3.79Å
40	V	86.8	Confident	94.3	Very high	100 Å²	100	25.4 Å²	25.4	61%	0.606	14%	0.143	S	C	*	.	S	Bend	trans	-110.3	-39.1	174.6	-177.1	0	0	0	0	111.4	E35 N38	E35-V40 HydrophobicContact CG-CB 4.04Å; E35-V40 HydrophobicContact CG-CG2 4.4Å; N38-V40 PolarHBondContact O-N 3.19Å
41	G	85.3	Confident	94.1	Very high	29 Å²	29	25.4 Å²	25.4	30%	0.299	14%	0.143	S	C	.	.	S	Bend	trans	-152.7	-149.4	-172.2	0	0	0	0	0	113	E35	E35-G41 VanDerWaalsContact CD-N 3.33Å; E35-G41 PolarHBondContact OE1-N 2.72Å; E35-G41 VanDerWaalsContact OE2-CA 3.31Å; E35-G41 WeakPolarHBondContact OE2-CA 3.43Å; E35-G41 PolarHBondContact OE2-N 3.27Å
42	G	86.6	Confident	93.8	Very high	31 Å²	31	29.4 Å²	29.4	32%	0.32	16%	0.158	S	C	.	.	H	α-helix	trans	-81	-18.6	-176.7	0	0	0	0	0	113.9	Y44 T45 V46	G42-Y44 VanDerWaalsContact C-N 3.31Å; G42-T45 WeakPolarHBondContact O-CB 3.31Å; G42-T45 PolarHBondContact O-N 3.01Å; G42-T45 VanDerWaalsContact O-N 3.11Å; G42-V46 PolarHBondContact O-N 3.31Å; G42-V46 VanDerWaalsContact O-N 3.14Å
43	I	93.9	Very high	93.5	Very high	19 Å²	19	30.6 Å²	30.6	10%	0.097	16%	0.163	C	C	.	.	H	α-helix	trans	-69.8	-35.8	-177.9	-57.4	169.6	0	0	0	109.8	A33 E35 T45 V46 I47 H180 E181 H205	A33-I43 HydrophobicContact CB-CG2 4.36Å; E35-I43 HydrophobicContact CB-CB 4.27Å; E35-I43 HydrophobicContact CB-CG2 4.44Å; E35-I43 HydrophobicContact CG-CB 4.24Å; E35-I43 WeakPolarHBondContact OE1-CB 3.36Å; E35-I43 PolarHBondContact OE2-N 3.02Å; I43-T45 PolarHBondContact O-N 3.23Å; I43-V46 WeakPolarHBondContact O-CB 3.49Å; I43-V46 PolarHBondContact O-N 3.11Å; I43-V46 VanDerWaalsContact O-N 3.14Å; I43-I47 HydrophobicContact CG2-CD1 3.77Å; I43-I47 HydrophobicContact CG2-CG1 4.17Å; I43-I47 WeakPolarHBondContact O-CG1 3.47Å; I43-I47 PolarHBondContact O-N 2.79Å; I43-H180 HydrophobicContact CG2-CB 4.19Å; I43-E181 HydrophobicContact CD1-CB 4.03Å; I43-E181 HydrophobicContact CD1-CG 3.26Å; I43-H205 HydrophobicContact CD1-CB 4.43Å; I43-H205 HydrophobicContact CG1-CB 4.34Å
44	Y	94.3	Very high	93.2	Very high	13 Å²	13	30.5 Å²	30.5	5%	0.051	16%	0.163	C	C	.	.	H	α-helix	trans	-47.8	-49.3	167.7	177.3	-85.8	0	0	0	111.3	E35 K39 G42 Q48 Q76 W106	E35-Y44 WeakPolarHBondContact O-CD2 3.5Å; E35-Y44 VanDerWaalsContact OE2-CB 3.3Å; E35-Y44 WeakPolarHBondContact OE2-CB 3.32Å; E35-Y44 PolarHBondContact OE2-N 2.99Å; K39-Y44 VanDerWaalsContact CA-CD2 3.43Å; K39-Y44 HydrophobicContact CB-CD1 4.14Å; K39-Y44 HydrophobicContact CB-CD2 3.59Å; K39-Y44 HydrophobicContact CB-CE1 4.33Å; K39-Y44 HydrophobicContact CB-CE2 3.77Å; K39-Y44 HydrophobicContact CB-CG 3.79Å; K39-Y44 HydrophobicContact CD-CD1 3.98Å; K39-Y44 HydrophobicContact CD-CE1 4.01Å; K39-Y44 HydrophobicContact CD-CG 4.45Å; K39-Y44 HydrophobicContact CG-CD1 3.81Å; K39-Y44 HydrophobicContact CG-CD2 4.14Å; K39-Y44 HydrophobicContact CG-CE1 4.23Å; K39-Y44 HydrophobicContact CG-CE2 4.49Å; K39-Y44 HydrophobicContact CG-CG 3.79Å; G42-Y44 VanDerWaalsContact C-N 3.31Å; Y44-Q48 HydrophobicContact CE1-CB 4.38Å; Y44-Q48 WeakPolarHBondContact O-CB 3.39Å; Y44-Q48 PolarHBondContact O-N 3.23Å; Y44-Q48 PolarHBondContact OH-NE2 3.37Å; Y44-Q76 PolarHBondContact OH-OE1 2.99Å; Y44-Q76 VanDerWaalsContact OH-OE1 3.12Å; Y44-W106 HydrophobicContact CD2-CH2 4.22Å; Y44-W106 HydrophobicContact CD2-CZ2 4.01Å; Y44-W106 HydrophobicContact CE2-CH2 4.06Å; Y44-W106 AromaticContact CE2-CZ2 3.38Å; Y44-W106 HydrophobicContact CE2-CZ2 3.38Å; Y44-W106 AromaticContact CZ-CZ2 3.65Å
45	T	91.5	Very high	93	Very high	36 Å²	36	29.3 Å²	29.3	22%	0.221	16%	0.162	C	C	.	.	H	α-helix	trans	-66.8	-39.7	-179.3	-55.7	0	0	0	0	112	G42 I43 T49	G42-T45 WeakPolarHBondContact O-CB 3.31Å; G42-T45 PolarHBondContact O-N 3.01Å; G42-T45 VanDerWaalsContact O-N 3.11Å; I43-T45 PolarHBondContact O-N 3.23Å; T45-T49 HydrophobicContact CG2-CG2 4.18Å; T45-T49 WeakPolarHBondContact O-CB 3.41Å; T45-T49 WeakPolarHBondContact O-CG2 3.39Å; T45-T49 PolarHBondContact O-N 3.09Å; T45-T49 PolarHBondContact O-OG1 2.97Å
46	V	94.4	Very high	92.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-57.1	-57	175.3	177.8	0	0	0	0	110.3	G42 I43 Q48 T49 K50 N280 Y514 W598	G42-V46 PolarHBondContact O-N 3.31Å; G42-V46 VanDerWaalsContact O-N 3.14Å; I43-V46 WeakPolarHBondContact O-CB 3.49Å; I43-V46 PolarHBondContact O-N 3.11Å; I43-V46 VanDerWaalsContact O-N 3.14Å; V46-Q48 VanDerWaalsContact C-N 3.35Å; V46-Q48 PolarHBondContact O-N 3.2Å; V46-T49 PolarHBondContact O-N 3.19Å; V46-T49 PolarHBondContact O-OG1 3.5Å; V46-K50 WeakPolarHBondContact O-CB 3.41Å; V46-K50 PolarHBondContact O-N 2.92Å; V46-N280 HydrophobicContact CG2-CB 4.29Å; V46-N280 WeakPolarHBondContact CG2-OD1 3.26Å; V46-Y514 HydrophobicContact CG2-CE1 4.31Å; V46-Y514 WeakPolarHBondContact CG2-OH 3.31Å; V46-W598 HydrophobicContact CG1-CH2 4.01Å; V46-W598 HydrophobicContact CG1-CZ2 3.95Å
47	I	95.6	Very high	92.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-65.2	-45	-174.5	-62	175.5	0	0	0	109.4	A33 V36 I43 T49 K50 A51 L64 W106	A33-I47 HydrophobicContact CB-CD1 3.32Å; V36-I47 HydrophobicContact CG2-CD1 4.05Å; V36-I47 HydrophobicContact CG2-CG2 4.43Å; I43-I47 HydrophobicContact CG2-CD1 3.77Å; I43-I47 HydrophobicContact CG2-CG1 4.17Å; I43-I47 WeakPolarHBondContact O-CG1 3.47Å; I43-I47 PolarHBondContact O-N 2.79Å; I47-T49 PolarHBondContact O-N 2.9Å; I47-K50 PolarHBondContact O-N 3.12Å; I47-A51 VanDerWaalsContact O-CB 3.27Å; I47-A51 WeakPolarHBondContact O-CB 3.32Å; I47-A51 PolarHBondContact O-N 3.31Å; I47-L64 HydrophobicContact CG2-CD1 4.02Å; I47-L64 HydrophobicContact CG2-CD2 3.42Å; I47-L64 VanDerWaalsContact CG2-CD2 3.42Å; I47-L64 HydrophobicContact CG2-CG 4.4Å; I47-W106 HydrophobicContact CG2-CZ3 3.88Å
48	Q	94.7	Very high	92	Very high	59 Å²	59	36.8 Å²	36.8	28%	0.276	20%	0.196	S	C	.	.	H	α-helix	trans	-58.4	-46.4	179.5	-179.2	-177.6	38.4	0	0	112.2	Y44 V46 W106 I108	Y44-Q48 HydrophobicContact CE1-CB 4.38Å; Y44-Q48 WeakPolarHBondContact O-CB 3.39Å; Y44-Q48 PolarHBondContact O-N 3.23Å; Y44-Q48 PolarHBondContact OH-NE2 3.37Å; V46-Q48 VanDerWaalsContact C-N 3.35Å; V46-Q48 PolarHBondContact O-N 3.2Å; Q48-W106 HydrophobicContact CB-CH2 3.95Å; Q48-W106 HydrophobicContact CB-CZ2 4.26Å; Q48-W106 HydrophobicContact CG-CZ2 4.5Å; Q48-I108 HydrophobicContact CB-CD1 4.31Å; Q48-I108 HydrophobicContact CG-CB 4.22Å; Q48-I108 HydrophobicContact CG-CD1 3.92Å; Q48-I108 HydrophobicContact CG-CG2 3.94Å
49	T	92.3	Very high	91.8	Very high	20 Å²	20	38.1 Å²	38.1	12%	0.123	21%	0.213	C	C	.	.	H	α-helix	trans	-76.6	-37.1	-177.1	55.8	0	0	0	0	111.7	T45 V46 I47 A51 N283 W598	T45-T49 HydrophobicContact CG2-CG2 4.18Å; T45-T49 WeakPolarHBondContact O-CB 3.41Å; T45-T49 WeakPolarHBondContact O-CG2 3.39Å; T45-T49 PolarHBondContact O-N 3.09Å; T45-T49 PolarHBondContact O-OG1 2.97Å; V46-T49 PolarHBondContact O-N 3.19Å; V46-T49 PolarHBondContact O-OG1 3.5Å; I47-T49 PolarHBondContact O-N 2.9Å; T49-A51 VanDerWaalsContact C-N 3.33Å; T49-A51 PolarHBondContact O-N 2.93Å; T49-N283 VanDerWaalsContact O-CG 3.32Å; T49-N283 PolarHBondContact O-ND2 3.24Å; T49-N283 PolarHBondContact O-OD1 2.95Å; T49-W598 PolarHBondContact OG1-NE1 3.3Å
50	K	95.3	Very high	91.8	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-70.5	-26.9	177.4	-167.7	-179.1	61.5	62.7	0	113.4	E31 V46 I47 R52 M53 T54 W598 Y605	E31-K50 WeakPolarHBondContact OE1-CE 3.26Å; E31-K50 IonicContact OE1-NZ 2.8Å; E31-K50 PolarHBondContact OE1-NZ 3.33Å; E31-K50 IonicContact OE2-NZ 3.09Å; E31-K50 PolarHBondContact OE2-NZ 3.25Å; V46-K50 WeakPolarHBondContact O-CB 3.41Å; V46-K50 PolarHBondContact O-N 2.92Å; I47-K50 PolarHBondContact O-N 3.12Å; K50-R52 PolarHBondContact O-N 3.3Å; K50-R52 VanDerWaalsContact O-N 3.13Å; K50-M53 HydrophobicContact CG-CE 4.05Å; K50-M53 PolarHBondContact O-N 3.21Å; K50-T54 PolarHBondContact NZ-OG1 3.15Å; K50-T54 VanDerWaalsContact NZ-OG1 3.09Å; K50-T54 PolarHBondContact O-N 3.05Å; K50-T54 VanDerWaalsContact O-N 3.11Å; K50-W598 HydrophobicContact CB-CD2 3.96Å; K50-W598 HydrophobicContact CB-CE3 4.35Å; K50-W598 HydrophobicContact CB-CG 4.5Å; K50-W598 HydrophobicContact CB-CH2 4.18Å; K50-W598 HydrophobicContact CB-CZ2 3.77Å; K50-W598 HydrophobicContact CB-CZ3 4.46Å; K50-W598 HydrophobicContact CD-CE3 4.2Å; K50-W598 HydrophobicContact CD-CH2 3.9Å; K50-W598 HydrophobicContact CD-CZ2 4.36Å; K50-W598 HydrophobicContact CD-CZ3 3.82Å; K50-W598 HydrophobicContact CG-CD2 3.96Å; K50-W598 HydrophobicContact CG-CE3 3.9Å; K50-W598 HydrophobicContact CG-CH2 4.17Å; K50-W598 HydrophobicContact CG-CZ2 4.23Å; K50-W598 HydrophobicContact CG-CZ3 4.02Å; K50-Y605 HydrophobicContact CD-CD1 3.89Å; K50-Y605 HydrophobicContact CD-CD2 4.06Å; K50-Y605 HydrophobicContact CD-CE1 3.74Å; K50-Y605 HydrophobicContact CD-CE2 3.94Å; K50-Y605 HydrophobicContact CD-CG 4.04Å
51	A	94.7	Very high	92.1	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-50.5	-41.7	-172	0	0	0	0	0	113.6	I47 T49 T54 A55 I108 P112	I47-A51 VanDerWaalsContact O-CB 3.27Å; I47-A51 WeakPolarHBondContact O-CB 3.32Å; I47-A51 PolarHBondContact O-N 3.31Å; T49-A51 VanDerWaalsContact C-N 3.33Å; T49-A51 PolarHBondContact O-N 2.93Å; A51-T54 PolarHBondContact O-N 3.45Å; A51-A55 WeakPolarHBondContact O-CB 3.47Å; A51-A55 PolarHBondContact O-N 3.03Å; A51-I108 HydrophobicContact CB-CD1 3.73Å; A51-P112 HydrophobicContact CB-CG 4Å
52	R	92.6	Very high	92.6	Very high	84 Å²	84	33.1 Å²	33.1	32%	0.317	18%	0.179	S	C	.	.	H	α-helix	trans	-57.1	-53.6	177.2	-179.4	-163.8	170.7	154	6	112	K50 T54 A55 E56 E109	K50-R52 PolarHBondContact O-N 3.3Å; K50-R52 VanDerWaalsContact O-N 3.13Å; R52-T54 VanDerWaalsContact C-N 3.35Å; R52-T54 PolarHBondContact O-N 3Å; R52-A55 PolarHBondContact O-N 3.42Å; R52-E56 IonicContact CZ-OE1 3.75Å; R52-E56 IonicContact NE-OE1 3.58Å; R52-E56 PolarHBondContact NE-OE1 3.05Å; R52-E56 IonicContact NH2-OE1 3.23Å; R52-E56 PolarHBondContact NH2-OE1 3.06Å; R52-E56 WeakPolarHBondContact O-CG 3.38Å; R52-E56 PolarHBondContact O-N 3.15Å; R52-E109 HydrophobicContact CB-CG 4.22Å; R52-E109 WeakPolarHBondContact CD-OE1 3.48Å; R52-E109 HydrophobicContact CG-CG 4.15Å; R52-E109 IonicContact CZ-OE1 2.95Å; R52-E109 IonicContact NE-OE1 3.39Å; R52-E109 IonicContact NH1-OE1 3.42Å; R52-E109 PolarHBondContact NH1-OE1 2.76Å
53	M	91.7	Very high	93.2	Very high	25 Å²	25	31.6 Å²	31.6	12%	0.123	16%	0.164	C	C	.	.	H	α-helix	trans	-62.7	-44.3	-177.4	-176.9	-75	-61.1	0	0	110.6	K50 A55 E56 E57 W598	K50-M53 HydrophobicContact CG-CE 4.05Å; K50-M53 PolarHBondContact O-N 3.21Å; M53-A55 VanDerWaalsContact C-N 3.34Å; M53-A55 PolarHBondContact O-N 3.1Å; M53-E56 PolarHBondContact O-N 3.35Å; M53-E57 PolarHBondContact O-N 3.32Å; M53-W598 HydrophobicContact CB-CB 4.32Å
54	T	93.6	Very high	93.4	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-66.5	-34.3	177.4	-57.4	0	0	0	0	112.5	L29 K50 A51 R52 E57 W58 Y62 R609	L29-T54 HydrophobicContact CD2-CG2 3.66Å; K50-T54 PolarHBondContact NZ-OG1 3.15Å; K50-T54 VanDerWaalsContact NZ-OG1 3.09Å; K50-T54 PolarHBondContact O-N 3.05Å; K50-T54 VanDerWaalsContact O-N 3.11Å; A51-T54 PolarHBondContact O-N 3.45Å; R52-T54 VanDerWaalsContact C-N 3.35Å; R52-T54 PolarHBondContact O-N 3Å; T54-E57 PolarHBondContact O-N 3.27Å; T54-W58 WeakPolarHBondContact O-CB 3.06Å; T54-W58 PolarHBondContact O-N 3.06Å; T54-Y62 HydrophobicContact CG2-CD1 4.02Å; T54-Y62 HydrophobicContact CG2-CD2 3.71Å; T54-Y62 HydrophobicContact CG2-CE1 3.87Å; T54-Y62 HydrophobicContact CG2-CE2 3.54Å; T54-Y62 HydrophobicContact CG2-CG 3.94Å; T54-R609 VanDerWaalsContact CG2-NH2 3.3Å; T54-R609 PolarHBondContact OG1-NH2 3.4Å
55	A	92.3	Very high	93.6	Very high	19 Å²	19	30.1 Å²	30.1	16%	0.157	16%	0.157	C	C	.	.	H	α-helix	trans	-71.9	-33.2	174.8	0	0	0	0	0	112.7	A51 R52 M53 E57 G59 Y62	A51-A55 WeakPolarHBondContact O-CB 3.47Å; A51-A55 PolarHBondContact O-N 3.03Å; R52-A55 PolarHBondContact O-N 3.42Å; M53-A55 VanDerWaalsContact C-N 3.34Å; M53-A55 PolarHBondContact O-N 3.1Å; A55-E57 VanDerWaalsContact C-N 3.28Å; A55-G59 VanDerWaalsContact O-CA 3.27Å; A55-G59 WeakPolarHBondContact O-CA 3.45Å; A55-G59 PolarHBondContact O-N 3.09Å; A55-Y62 HydrophobicContact CB-CD1 4.25Å
56	E	90.6	Very high	93.9	Very high	123 Å²	123	28.4 Å²	28.4	58%	0.575	15%	0.147	S	C	*	.	H	α-helix	trans	-64.5	-34	171.1	-73.9	171.8	-179.7	0	0	111.3	R52 M53	R52-E56 IonicContact CZ-OE1 3.75Å; R52-E56 IonicContact NE-OE1 3.58Å; R52-E56 PolarHBondContact NE-OE1 3.05Å; R52-E56 IonicContact NH2-OE1 3.23Å; R52-E56 PolarHBondContact NH2-OE1 3.06Å; R52-E56 WeakPolarHBondContact O-CG 3.38Å; R52-E56 PolarHBondContact O-N 3.15Å; M53-E56 PolarHBondContact O-N 3.35Å
57	E	88.9	Confident	94.1	Very high	48 Å²	48	28.7 Å²	28.7	22%	0.224	15%	0.148	C	C	.	.	H	α-helix	trans	-78.5	-48.6	178.4	-178.8	-164	159.8	0	0	113.1	L24 M53 T54 A55 R609	L24-E57 HydrophobicContact CD1-CG 4.11Å; M53-E57 PolarHBondContact O-N 3.32Å; T54-E57 PolarHBondContact O-N 3.27Å; A55-E57 VanDerWaalsContact C-N 3.28Å; E57-R609 VanDerWaalsContact CD-NH1 3.33Å; E57-R609 IonicContact OE1-NH1 3.72Å; E57-R609 PolarHBondContact OE1-NH1 2.95Å; E57-R609 VanDerWaalsContact OE1-NH1 3.09Å; E57-R609 IonicContact OE2-NH1 2.78Å; E57-R609 PolarHBondContact OE2-NH1 3.09Å
58	W	92	Very high	94.2	Very high	10 Å²	10	30.1 Å²	30.1	4%	0.038	15%	0.154	C	C	.	.	H	α-helix	trans	-103	-10.7	-170.4	-73.5	76.6	0	0	0	114.5	L24 A27 L29 T54 E60 N61 V176	L24-W58 HydrophobicContact CD1-CD2 4.3Å; L24-W58 HydrophobicContact CD1-CZ2 4.47Å; L24-W58 HydrophobicContact CD2-CE3 4.48Å; L24-W58 HydrophobicContact CD2-CH2 3.61Å; L24-W58 HydrophobicContact CD2-CZ2 3.66Å; L24-W58 HydrophobicContact CD2-CZ3 4.03Å; A27-W58 HydrophobicContact CB-CH2 4.01Å; A27-W58 HydrophobicContact CB-CZ3 3.74Å; L29-W58 HydrophobicContact CB-CD2 3.6Å; L29-W58 HydrophobicContact CB-CE3 3.46Å; L29-W58 VanDerWaalsContact CB-CE3 3.46Å; L29-W58 HydrophobicContact CB-CG 4.29Å; L29-W58 HydrophobicContact CB-CH2 3.98Å; L29-W58 HydrophobicContact CB-CZ2 4.13Å; L29-W58 HydrophobicContact CB-CZ3 3.65Å; L29-W58 HydrophobicContact CD2-CD2 3.97Å; L29-W58 HydrophobicContact CD2-CG 4.08Å; L29-W58 HydrophobicContact CD2-CZ2 4.33Å; L29-W58 HydrophobicContact CG-CD2 4.43Å; T54-W58 WeakPolarHBondContact O-CB 3.06Å; T54-W58 PolarHBondContact O-N 3.06Å; W58-E60 PolarHBondContact O-N 2.78Å; W58-N61 HydrophobicContact CE3-CB 4.44Å; W58-N61 WeakPolarHBondContact O-CB 3.42Å; W58-N61 PolarHBondContact O-N 2.79Å; W58-N61 VanDerWaalsContact O-N 3.08Å; W58-V176 HydrophobicContact CH2-CG2 4.17Å
59	G	90.8	Very high	94.2	Very high	43 Å²	43	29.6 Å²	29.6	44%	0.443	16%	0.155	S	C	.	.	G	3₁₀ helix	trans	54.8	-126.6	-179.3	0	0	0	0	0	113.2	A55 N61	A55-G59 VanDerWaalsContact O-CA 3.27Å; A55-G59 WeakPolarHBondContact O-CA 3.45Å; A55-G59 PolarHBondContact O-N 3.09Å; G59-N61 VanDerWaalsContact C-N 3.28Å; G59-N61 PolarHBondContact O-N 2.86Å
60	E	90.8	Very high	94.3	Very high	116 Å²	116	32.5 Å²	32.5	54%	0.542	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-79.3	-7.6	-178.7	-57.8	-153.2	126.7	0	0	114.3	W58 Y62 F63 Y113	W58-E60 PolarHBondContact O-N 2.78Å; E60-Y62 PolarHBondContact O-N 3.24Å; E60-F63 VanDerWaalsContact O-CZ 3.32Å; E60-F63 WeakPolarHBondContact O-CZ 3.29Å; E60-Y113 HydrophobicContact CB-CE2 3.98Å; E60-Y113 HydrophobicContact CG-CE2 4.06Å; E60-Y113 PolarHBondContact OE1-OH 3.14Å
61	N	93.1	Very high	94.3	Very high	47 Å²	47	36 Å²	36	25%	0.251	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-86.2	8.6	177.5	-70.4	-15.9	0	0	0	112.8	A27 V28 L29 W58 G59	A27-N61 PolarHBondContact O-ND2 2.94Å; V28-N61 WeakPolarHBondContact CG1-O 3.29Å; V28-N61 HydrophobicContact CG2-CB 4.32Å; L29-N61 PolarHBondContact N-O 3Å; W58-N61 HydrophobicContact CE3-CB 4.44Å; W58-N61 WeakPolarHBondContact O-CB 3.42Å; W58-N61 PolarHBondContact O-N 2.79Å; W58-N61 VanDerWaalsContact O-N 3.08Å; G59-N61 VanDerWaalsContact C-N 3.28Å; G59-N61 PolarHBondContact O-N 2.86Å
62	Y	96	Very high	94.2	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.008	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	118.6	178.1	174.1	-131.8	0	0	0	112.3	L29 E31 T54 A55 E60 L64 P112	L29-Y62 HydrophobicContact CB-CD2 4.35Å; L29-Y62 HydrophobicContact CD2-CD2 3.68Å; L29-Y62 HydrophobicContact CD2-CE2 3.98Å; L29-Y62 HydrophobicContact CG-CD2 3.93Å; L29-Y62 HydrophobicContact CG-CE2 4.37Å; E31-Y62 HydrophobicContact CB-CE2 3.82Å; E31-Y62 WeakPolarHBondContact OE2-CE2 3.29Å; E31-Y62 PolarHBondContact OE2-OH 2.96Å; T54-Y62 HydrophobicContact CG2-CD1 4.02Å; T54-Y62 HydrophobicContact CG2-CD2 3.71Å; T54-Y62 HydrophobicContact CG2-CE1 3.87Å; T54-Y62 HydrophobicContact CG2-CE2 3.54Å; T54-Y62 HydrophobicContact CG2-CG 3.94Å; A55-Y62 HydrophobicContact CB-CD1 4.25Å; E60-Y62 PolarHBondContact O-N 3.24Å; Y62-L64 HydrophobicContact CE1-CD1 4.3Å; Y62-L64 HydrophobicContact CE1-CG 4.24Å; Y62-L64 HydrophobicContact CE2-CD2 4.27Å; Y62-L64 HydrophobicContact CE2-CG 4.17Å; Y62-L64 WeakPolarHBondContact OH-CD2 3.49Å; Y62-L64 WeakPolarHBondContact OH-CG 3.49Å; Y62-P112 HydrophobicContact CD1-CB 4.03Å; Y62-P112 HydrophobicContact CE1-CB 3.78Å
63	F	97.9	Very high	94.3	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	124.1	178.6	-57.2	-73.5	0	0	0	110.8	V28 L29 F30 E31 E60 N84 L87 F103 Y113	V28-F63 HydrophobicContact CG1-CD2 3.76Å; V28-F63 HydrophobicContact CG1-CE2 3.7Å; L29-F63 PolarHBondContact O-N 3.39Å; F30-F63 CarbonylContact C-O 3.59Å; F30-F63 VanDerWaalsContact CA-O 3.31Å; F30-F63 WeakPolarHBondContact CA-O 3.36Å; F30-F63 HydrophobicContact CD1-CB 3.69Å; F30-F63 HydrophobicContact CD1-CD2 4.3Å; F30-F63 HydrophobicContact CD1-CG 4.35Å; F30-F63 HydrophobicContact CE1-CB 3.81Å; F30-F63 AromaticContact CE1-CD2 3.79Å; F30-F63 HydrophobicContact CE1-CD2 3.79Å; F30-F63 AromaticContact CE1-CG 3.99Å; F30-F63 HydrophobicContact CE1-CG 3.99Å; F30-F63 HydrophobicContact CE2-CD2 4.43Å; F30-F63 HydrophobicContact CG-CB 4.49Å; F30-F63 AromaticContact CZ-CD2 3.87Å; F30-F63 HydrophobicContact CZ-CD2 3.87Å; F30-F63 HydrophobicContact CZ-CE2 4.49Å; E31-F63 PolarHBondContact N-O 3.19Å; E60-F63 VanDerWaalsContact O-CZ 3.32Å; E60-F63 WeakPolarHBondContact O-CZ 3.29Å; F63-N84 HydrophobicContact CZ-CB 4.35Å; F63-L87 HydrophobicContact CD1-CD2 3.77Å; F63-L87 HydrophobicContact CE1-CD2 3.5Å; F63-L87 HydrophobicContact CZ-CD2 4.04Å; F63-F103 HydrophobicContact CD1-CE2 4.16Å; F63-F103 HydrophobicContact CE1-CE2 4.14Å; F63-F103 HydrophobicContact CE1-CZ 4.49Å; F63-Y113 HydrophobicContact CD1-CG 4.48Å; F63-Y113 HydrophobicContact CE1-CD2 4.06Å; F63-Y113 HydrophobicContact CE1-CG 4.3Å
64	L	98.6	Very high	94.4	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	133.9	169.3	-79.3	167.6	0	0	0	110.2	E31 V36 I47 Y62 W106 P112 Y113 V114 V115	E31-L64 HydrophobicContact CB-CD2 3.87Å; E31-L64 HydrophobicContact CG-CD2 4.08Å; E31-L64 CarbonylContact O-C 3.55Å; E31-L64 WeakPolarHBondContact O-CA 3.44Å; V36-L64 HydrophobicContact CG1-CB 3.82Å; V36-L64 HydrophobicContact CG2-CB 4.33Å; V36-L64 HydrophobicContact CG2-CD2 3.99Å; I47-L64 HydrophobicContact CG2-CD1 4.02Å; I47-L64 HydrophobicContact CG2-CD2 3.42Å; I47-L64 VanDerWaalsContact CG2-CD2 3.42Å; I47-L64 HydrophobicContact CG2-CG 4.4Å; Y62-L64 HydrophobicContact CE1-CD1 4.3Å; Y62-L64 HydrophobicContact CE1-CG 4.24Å; Y62-L64 HydrophobicContact CE2-CD2 4.27Å; Y62-L64 HydrophobicContact CE2-CG 4.17Å; Y62-L64 WeakPolarHBondContact OH-CD2 3.49Å; Y62-L64 WeakPolarHBondContact OH-CG 3.49Å; L64-W106 HydrophobicContact CD1-CE3 3.81Å; L64-W106 HydrophobicContact CD1-CZ3 4.08Å; L64-P112 HydrophobicContact CD1-CB 3.93Å; L64-P112 HydrophobicContact CD1-CG 3.65Å; L64-Y113 PolarHBondContact N-O 2.94Å; L64-V114 HydrophobicContact CB-CG1 3.81Å; L64-V114 HydrophobicContact CD1-CG1 4.49Å; L64-V114 CarbonylContact O-C 3.56Å; L64-V114 VanDerWaalsContact O-CA 3.26Å; L64-V114 WeakPolarHBondContact O-CA 3.19Å; L64-V115 PolarHBondContact O-N 3.27Å
65	V	98.8	Very high	94.3	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.006	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	127	-178.4	-170	0	0	0	0	110.8	F30 E31 I32 A33 V36 V115 I117 T158 L161	F30-V65 HydrophobicContact CB-CG2 4.45Å; F30-V65 HydrophobicContact CD1-CG2 3.86Å; E31-V65 PolarHBondContact O-N 2.79Å; I32-V65 WeakPolarHBondContact CA-O 3.2Å; I32-V65 HydrophobicContact CB-CB 4.27Å; I32-V65 HydrophobicContact CG1-CB 3.72Å; I32-V65 HydrophobicContact CG1-CG1 4.48Å; I32-V65 HydrophobicContact CG1-CG2 3.92Å; I32-V65 HydrophobicContact CG2-CB 4.19Å; I32-V65 HydrophobicContact CG2-CG1 4.46Å; A33-V65 PolarHBondContact N-O 3.05Å; V36-V65 WeakPolarHBondContact CG2-O 3.49Å; V65-V115 WeakPolarHBondContact CA-O 3.45Å; V65-V115 HydrophobicContact CG2-CB 4.32Å; V65-I117 HydrophobicContact CG1-CD1 3.88Å; V65-I117 HydrophobicContact CG1-CG1 4.43Å; V65-T158 HydrophobicContact CG1-CG2 4.04Å; V65-L161 HydrophobicContact CG1-CD2 3.98Å; V65-L161 HydrophobicContact CG2-CD2 4.12Å
66	G	98.3	Very high	94.5	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	172.9	-176.3	0	0	0	0	0	114.5	V115 L116 I117	G66-V115 PolarHBondContact N-O 2.8Å; G66-L116 CarbonylContact O-C 3.58Å; G66-L116 WeakPolarHBondContact O-CA 3.49Å; G66-I117 PolarHBondContact O-N 3.39Å
67	P	97.4	Very high	94.8	Very high	5 Å²	5	42.7 Å²	42.7	3%	0.032	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	143.8	172.5	31.9	-34.8	0	0	0	111.3	W34 V69 I117 V119	W34-P67 HydrophobicContact CD2-CG 3.89Å; W34-P67 HydrophobicContact CE3-CB 4.28Å; W34-P67 HydrophobicContact CE3-CG 4.03Å; W34-P67 HydrophobicContact CG-CG 4.34Å; W34-P67 HydrophobicContact CH2-CB 3.96Å; W34-P67 HydrophobicContact CH2-CG 4.31Å; W34-P67 HydrophobicContact CZ2-CB 4.26Å; W34-P67 HydrophobicContact CZ2-CG 4.23Å; W34-P67 HydrophobicContact CZ3-CB 4Å; W34-P67 HydrophobicContact CZ3-CG 4.24Å; W34-P67 VanDerWaalsContact O-CD 3.23Å; W34-P67 WeakPolarHBondContact O-CD 3.4Å; W34-P67 WeakPolarHBondContact O-CG 3.36Å; P67-V69 PolarHBondContact O-N 3.5Å; P67-I117 CarbonylContact C-O 3.56Å; P67-I117 WeakPolarHBondContact CA-O 3.36Å; P67-V119 HydrophobicContact CB-CG2 4.38Å
68	Y	97.5	Very high	95.2	Very high	31 Å²	31	45.2 Å²	45.2	12%	0.122	24%	0.236	C	C	.	.			trans	-78.5	119.9	173	-177.8	-91.5	0	0	0	110.9	E70 V73 Y102 L116 I117	Y68-E70 HydrophobicContact CE1-CB 4.12Å; Y68-E70 VanDerWaalsContact CE1-OE2 3.3Å; Y68-E70 WeakPolarHBondContact CE1-OE2 3.35Å; Y68-E70 VanDerWaalsContact CZ-OE2 3.3Å; Y68-E70 PolarHBondContact OH-OE2 3.34Å; Y68-V73 HydrophobicContact CD2-CG2 3.83Å; Y68-V73 HydrophobicContact CE2-CB 4.13Å; Y68-V73 HydrophobicContact CE2-CG1 3.9Å; Y68-V73 HydrophobicContact CE2-CG2 3.8Å; Y68-Y102 HydrophobicContact CD1-CD2 4.49Å; Y68-Y102 HydrophobicContact CD1-CE2 4.03Å; Y68-Y102 HydrophobicContact CD2-CD1 4.49Å; Y68-Y102 AromaticContact CD2-CD2 3.29Å; Y68-Y102 HydrophobicContact CD2-CD2 3.29Å; Y68-Y102 AromaticContact CD2-CE2 3.6Å; Y68-Y102 HydrophobicContact CD2-CE2 3.6Å; Y68-Y102 AromaticContact CD2-CG 3.78Å; Y68-Y102 HydrophobicContact CD2-CG 3.78Å; Y68-Y102 HydrophobicContact CE1-CE2 4.12Å; Y68-Y102 HydrophobicContact CE2-CD1 4.05Å; Y68-Y102 AromaticContact CE2-CD2 3.62Å; Y68-Y102 HydrophobicContact CE2-CD2 3.62Å; Y68-Y102 HydrophobicContact CE2-CE1 4.08Å; Y68-Y102 AromaticContact CE2-CE2 3.67Å; Y68-Y102 HydrophobicContact CE2-CE2 3.67Å; Y68-Y102 AromaticContact CE2-CG 3.78Å; Y68-Y102 HydrophobicContact CE2-CG 3.78Å; Y68-Y102 AromaticContact CE2-CZ 3.86Å; Y68-Y102 AromaticContact CG-CD2 3.79Å; Y68-Y102 HydrophobicContact CG-CD2 3.79Å; Y68-Y102 AromaticContact CG-CE2 3.78Å; Y68-Y102 HydrophobicContact CG-CE2 3.78Å; Y68-Y102 AromaticContact CZ-CE2 3.94Å; Y68-Y102 AromaticContact CZ-CZ 3.87Å; Y68-L116 HydrophobicContact CD2-CB 4.12Å; Y68-L116 HydrophobicContact CD2-CD1 4.42Å; Y68-I117 PolarHBondContact N-O 3.25Å
69	V	95.8	Very high	95.4	Very high	48 Å²	48	48.7 Å²	48.7	29%	0.291	26%	0.255	S	S	.	.			trans	-127.6	105.6	173.1	-176.8	0	0	0	0	109.2	P67 S71 N72 V73	P67-V69 PolarHBondContact O-N 3.5Å; V69-S71 VanDerWaalsContact C-N 3.31Å; V69-S71 PolarHBondContact O-N 3.39Å; V69-S71 VanDerWaalsContact O-N 3.12Å; V69-N72 HydrophobicContact CB-CB 4.4Å; V69-N72 PolarHBondContact O-N 3.45Å; V69-V73 WeakPolarHBondContact O-CG2 3.49Å; V69-V73 PolarHBondContact O-N 2.93Å
70	E	94.3	Very high	95.7	Very high	81 Å²	81	49.1 Å²	49.1	38%	0.379	25%	0.246	S	C	.	.	H	α-helix	trans	-46.2	-47.3	-171.8	-176.9	74.4	-158.2	0	0	114	Y68 N72 V73 R74	Y68-E70 HydrophobicContact CE1-CB 4.12Å; Y68-E70 VanDerWaalsContact CE1-OE2 3.3Å; Y68-E70 WeakPolarHBondContact CE1-OE2 3.35Å; Y68-E70 VanDerWaalsContact CZ-OE2 3.3Å; Y68-E70 PolarHBondContact OH-OE2 3.34Å; E70-N72 VanDerWaalsContact C-N 3.31Å; E70-N72 PolarHBondContact O-N 3.5Å; E70-V73 PolarHBondContact O-N 2.76Å; E70-R74 WeakPolarHBondContact O-CG 3.37Å; E70-R74 PolarHBondContact O-N 2.88Å; E70-R74 VanDerWaalsContact O-N 3.11Å; E70-R74 IonicContact OE1-CZ 3.74Å; E70-R74 IonicContact OE1-NE 3.9Å; E70-R74 PolarHBondContact OE1-NE 3.23Å; E70-R74 IonicContact OE1-NH2 2.73Å; E70-R74 PolarHBondContact OE1-NH2 3.4Å
71	S	94.3	Very high	95.9	Very high	74 Å²	74	49.7 Å²	49.7	52%	0.517	25%	0.249	S	C	.	.	H	α-helix	trans	-62.5	-36.8	-178.1	55.8	0	0	0	0	113.2	V69 T75	V69-S71 VanDerWaalsContact C-N 3.31Å; V69-S71 PolarHBondContact O-N 3.39Å; V69-S71 VanDerWaalsContact O-N 3.12Å; S71-T75 PolarHBondContact O-OG1 2.66Å
72	N	93.1	Very high	96	Very high	36 Å²	36	48.3 Å²	48.3	19%	0.193	24%	0.243	C	C	.	.	H	α-helix	trans	-81	-41.7	-177.3	-61.1	-11.9	0	0	0	110.2	A37 N38 V69 E70 R74 T75 Q76	A37-N72 VanDerWaalsContact O-CB 3.31Å; A37-N72 WeakPolarHBondContact O-CB 3.46Å; N38-N72 PolarHBondContact OD1-ND2 3.29Å; V69-N72 HydrophobicContact CB-CB 4.4Å; V69-N72 PolarHBondContact O-N 3.45Å; E70-N72 VanDerWaalsContact C-N 3.31Å; E70-N72 PolarHBondContact O-N 3.5Å; N72-R74 VanDerWaalsContact C-N 3.35Å; N72-R74 PolarHBondContact O-N 2.8Å; N72-T75 PolarHBondContact O-N 3.14Å; N72-T75 VanDerWaalsContact O-N 3.11Å; N72-T75 PolarHBondContact O-OG1 2.76Å; N72-Q76 WeakPolarHBondContact O-CB 3.32Å; N72-Q76 PolarHBondContact O-N 3.38Å
73	V	94	Very high	95.7	Very high	6 Å²	6	51.8 Å²	51.8	4%	0.036	26%	0.264	C	S	.	.	H	α-helix	trans	-57.7	-47.3	177	172.8	0	0	0	0	110.9	Y68 V69 E70 T75 Q76 V77 L79 L116	Y68-V73 HydrophobicContact CD2-CG2 3.83Å; Y68-V73 HydrophobicContact CE2-CB 4.13Å; Y68-V73 HydrophobicContact CE2-CG1 3.9Å; Y68-V73 HydrophobicContact CE2-CG2 3.8Å; V69-V73 WeakPolarHBondContact O-CG2 3.49Å; V69-V73 PolarHBondContact O-N 2.93Å; E70-V73 PolarHBondContact O-N 2.76Å; V73-T75 PolarHBondContact O-N 3.24Å; V73-Q76 PolarHBondContact O-N 3.19Å; V73-V77 HydrophobicContact CG1-CB 4.06Å; V73-V77 HydrophobicContact CG1-CG1 4.48Å; V73-V77 PolarHBondContact O-N 2.66Å; V73-L79 HydrophobicContact CG1-CD1 4.41Å; V73-L79 HydrophobicContact CG1-CD2 4.08Å; V73-L79 HydrophobicContact CG1-CG 4.29Å; V73-L116 HydrophobicContact CG2-CD1 3.53Å
74	R	93.6	Very high	95.3	Very high	191 Å²	191	53.3 Å²	53.3	72%	0.721	27%	0.272	S	S	*	.	H	α-helix	trans	-57.7	-22.6	178.9	-75.7	-177.9	-176.3	-167.9	2.9	114.9	E70 N72	E70-R74 WeakPolarHBondContact O-CG 3.37Å; E70-R74 PolarHBondContact O-N 2.88Å; E70-R74 VanDerWaalsContact O-N 3.11Å; E70-R74 IonicContact OE1-CZ 3.74Å; E70-R74 IonicContact OE1-NE 3.9Å; E70-R74 PolarHBondContact OE1-NE 3.23Å; E70-R74 IonicContact OE1-NH2 2.73Å; E70-R74 PolarHBondContact OE1-NH2 3.4Å; N72-R74 VanDerWaalsContact C-N 3.35Å; N72-R74 PolarHBondContact O-N 2.8Å
75	T	93	Very high	95.1	Very high	101 Å²	101	57.4 Å²	57.4	62%	0.62	30%	0.299	S	S	*	.	H	α-helix	trans	-107.3	-19.7	-175.4	53.5	0	0	0	0	113.4	S71 N72 V73	S71-T75 PolarHBondContact O-OG1 2.66Å; N72-T75 PolarHBondContact O-N 3.14Å; N72-T75 VanDerWaalsContact O-N 3.11Å; N72-T75 PolarHBondContact O-OG1 2.76Å; V73-T75 PolarHBondContact O-N 3.24Å
76	Q	94.8	Very high	94.9	Very high	42 Å²	42	58.4 Å²	58.4	20%	0.196	31%	0.305	C	S	.	.	H	α-helix	trans	-129.6	-12.7	-168.7	-58	178.4	25.1	0	0	114.4	Y44 N72 V73 L107	Y44-Q76 PolarHBondContact OH-OE1 2.99Å; Y44-Q76 VanDerWaalsContact OH-OE1 3.12Å; N72-Q76 WeakPolarHBondContact O-CB 3.32Å; N72-Q76 PolarHBondContact O-N 3.38Å; V73-Q76 PolarHBondContact O-N 3.19Å; Q76-L107 VanDerWaalsContact O-CB 3.25Å; Q76-L107 WeakPolarHBondContact O-CB 3.28Å; Q76-L107 WeakPolarHBondContact O-CG 3.44Å; Q76-L107 PolarHBondContact O-N 2.77Å
77	V	97.4	Very high	94.7	Very high	14 Å²	14	58.4 Å²	58.4	9%	0.085	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	130.5	-171.4	-179.7	0	0	0	0	110.5	A37 V73 L79 R105 V114 L116	A37-V77 HydrophobicContact CB-CG2 3.71Å; V73-V77 HydrophobicContact CG1-CB 4.06Å; V73-V77 HydrophobicContact CG1-CG1 4.48Å; V73-V77 PolarHBondContact O-N 2.66Å; V77-L79 HydrophobicContact CG1-CD2 4.19Å; V77-R105 WeakPolarHBondContact CA-O 3.46Å; V77-V114 HydrophobicContact CG1-CG2 3.79Å; V77-L116 HydrophobicContact CG1-CD1 4.25Å; V77-L116 HydrophobicContact CG2-CD1 4.25Å
78	E	97.4	Very high	94.7	Very high	102 Å²	102	62 Å²	62	48%	0.477	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	112.7	168.9	-176.7	-178.4	-162.8	0	0	108.8	I80 G104 R105 L107	E78-I80 HydrophobicContact CG-CG2 4.04Å; E78-G104 CarbonylContact O-C 3.51Å; E78-G104 WeakPolarHBondContact O-CA 3.44Å; E78-R105 PolarHBondContact N-O 2.84Å; E78-R105 PolarHBondContact O-N 3.15Å; E78-L107 HydrophobicContact CB-CD2 4Å; E78-L107 HydrophobicContact CB-CG 4.39Å
79	L	97.4	Very high	94.7	Very high	82 Å²	82	65 Å²	65	43%	0.429	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	126.7	177.1	-63.1	179.3	0	0	0	109.9	V73 V77 Y102	V73-L79 HydrophobicContact CG1-CD1 4.41Å; V73-L79 HydrophobicContact CG1-CD2 4.08Å; V73-L79 HydrophobicContact CG1-CG 4.29Å; V77-L79 HydrophobicContact CG1-CD2 4.19Å; L79-Y102 HydrophobicContact CD1-CD1 4.34Å
80	I	96.8	Very high	94.8	Very high	52 Å²	52	62.8 Å²	62.8	27%	0.267	32%	0.318	S	S	.	.			trans	-136.9	167.5	180	61.9	167.1	0	0	0	110	E78 F103 R105 Y113	E78-I80 HydrophobicContact CG-CG2 4.04Å; I80-F103 HydrophobicContact CD1-CD1 4.41Å; I80-F103 HydrophobicContact CD1-CE1 3.89Å; I80-F103 HydrophobicContact CG1-CD1 3.81Å; I80-F103 HydrophobicContact CG1-CE1 3.81Å; I80-F103 PolarHBondContact N-O 2.8Å; I80-F103 VanDerWaalsContact N-O 3.16Å; I80-F103 WeakPolarHBondContact O-CD1 3.32Å; I80-F103 VanDerWaalsContact O-O 3.09Å; I80-R105 HydrophobicContact CD1-CG 3.88Å; I80-Y113 HydrophobicContact CD1-CD1 4.44Å; I80-Y113 HydrophobicContact CD1-CE1 4.06Å
81	E	94.6	Very high	95	Very high	128 Å²	128	59.3 Å²	59.3	60%	0.598	30%	0.302	S	S	*	.			trans	-74.7	144.2	171.5	-74.4	-72	133.5	0	0	111	T83 K88	E81-T83 PolarHBondContact O-N 3.49Å; E81-K88 IonicContact OE2-NZ 3.83Å; E81-K88 PolarHBondContact OE2-NZ 2.83Å
82	P	94	Very high	95.1	Very high	19 Å²	19	59.9 Å²	59.9	12%	0.123	30%	0.299	C	S	.	.			trans	-58.8	123.6	175.4	-21.1	31.5	0	0	0	111.9	L87 K88 I91 F103	P82-L87 HydrophobicContact CB-CG 4.5Å; P82-K88 HydrophobicContact CB-CB 3.96Å; P82-K88 HydrophobicContact CB-CG 4.49Å; P82-K88 HydrophobicContact CG-CB 4.35Å; P82-K88 HydrophobicContact CG-CG 4.45Å; P82-I91 HydrophobicContact CG-CD1 3.82Å; P82-F103 VanDerWaalsContact CA-CD1 3.43Å; P82-F103 VanDerWaalsContact CA-CE1 3.5Å; P82-F103 HydrophobicContact CB-CD1 4.11Å; P82-F103 HydrophobicContact CB-CE1 4.38Å; P82-F103 HydrophobicContact CB-CG 4.2Å; P82-F103 HydrophobicContact CG-CB 3.84Å; P82-F103 HydrophobicContact CG-CD1 4.04Å; P82-F103 HydrophobicContact CG-CG 3.89Å
83	T	89.7	Confident	95.3	Very high	74 Å²	74	63.1 Å²	63.1	45%	0.454	31%	0.311	S	S	.	.	S	Bend	trans	-75.8	-36.4	177.6	51.4	0	0	0	0	111.7	E81 P85	E81-T83 PolarHBondContact O-N 3.49Å; T83-P85 WeakPolarHBondContact O-CD 3.47Å
84	N	90.8	Very high	95.5	Very high	33 Å²	33	62.8 Å²	62.8	18%	0.176	31%	0.309	C	S	.	.	S	Bend	trans	-75.8	120.5	175.3	-177.6	-53.9	0	0	0	110.6	F63 V86 L87 K88 Y165	F63-N84 HydrophobicContact CZ-CB 4.35Å; N84-V86 VanDerWaalsContact C-N 3.35Å; N84-V86 PolarHBondContact O-N 2.87Å; N84-V86 WeakPolarHBondContact OD1-CA 3.13Å; N84-V86 VanDerWaalsContact OD1-CB 3.28Å; N84-V86 WeakPolarHBondContact OD1-CB 3.3Å; N84-V86 PolarHBondContact OD1-N 3.16Å; N84-L87 HydrophobicContact CB-CB 3.98Å; N84-L87 PolarHBondContact O-N 3.36Å; N84-L87 PolarHBondContact OD1-N 3.42Å; N84-L87 VanDerWaalsContact OD1-N 3.1Å; N84-K88 PolarHBondContact O-N 2.95Å; N84-Y165 PolarHBondContact ND2-OH 3.34Å
85	P	93.4	Very high	95.7	Very high	85 Å²	85	56.4 Å²	56.4	55%	0.552	29%	0.289	S	S	*	.	H	α-helix	trans	-62.4	-35	-178.3	-24.6	34.6	0	0	0	114.7	T83 K88 R89	T83-P85 WeakPolarHBondContact O-CD 3.47Å; P85-K88 PolarHBondContact O-N 3.04Å; P85-R89 WeakPolarHBondContact O-CG 3.4Å; P85-R89 PolarHBondContact O-N 3.14Å
86	V	94.8	Very high	95.9	Very high	23 Å²	23	55.8 Å²	55.8	14%	0.139	29%	0.294	C	S	.	.	H	α-helix	trans	-64.9	-47.3	176.3	179	0	0	0	0	109.4	N84 K88 R89 T90 Y165 Q168 S169	N84-V86 VanDerWaalsContact C-N 3.35Å; N84-V86 PolarHBondContact O-N 2.87Å; N84-V86 WeakPolarHBondContact OD1-CA 3.13Å; N84-V86 VanDerWaalsContact OD1-CB 3.28Å; N84-V86 WeakPolarHBondContact OD1-CB 3.3Å; N84-V86 PolarHBondContact OD1-N 3.16Å; V86-K88 VanDerWaalsContact C-N 3.29Å; V86-K88 PolarHBondContact O-N 2.88Å; V86-R89 PolarHBondContact O-N 3.09Å; V86-T90 WeakPolarHBondContact O-CB 3.15Å; V86-T90 PolarHBondContact O-N 2.94Å; V86-T90 PolarHBondContact O-OG1 2.98Å; V86-Y165 HydrophobicContact CB-CD2 4.47Å; V86-Y165 HydrophobicContact CB-CE2 3.94Å; V86-Y165 HydrophobicContact CG1-CD1 4.47Å; V86-Y165 HydrophobicContact CG1-CD2 3.73Å; V86-Y165 HydrophobicContact CG1-CE1 4.38Å; V86-Y165 HydrophobicContact CG1-CE2 3.62Å; V86-Y165 HydrophobicContact CG1-CG 4.17Å; V86-Y165 WeakPolarHBondContact CG1-O 3.34Å; V86-Q168 HydrophobicContact CG1-CB 3.95Å; V86-S169 VanDerWaalsContact CG1-OG 3.28Å; V86-S169 WeakPolarHBondContact CG1-OG 3.44Å
87	L	95.6	Very high	95.9	Very high	0 Å²	0	56 Å²	56	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-62.2	-39	178	-172.2	61.9	0	0	0	111.4	F63 P82 N84 T90 I91 F103 V115 Y165	F63-L87 HydrophobicContact CD1-CD2 3.77Å; F63-L87 HydrophobicContact CE1-CD2 3.5Å; F63-L87 HydrophobicContact CZ-CD2 4.04Å; P82-L87 HydrophobicContact CB-CG 4.5Å; N84-L87 HydrophobicContact CB-CB 3.98Å; N84-L87 PolarHBondContact O-N 3.36Å; N84-L87 PolarHBondContact OD1-N 3.42Å; N84-L87 VanDerWaalsContact OD1-N 3.1Å; L87-T90 WeakPolarHBondContact O-CB 3.47Å; L87-T90 PolarHBondContact O-N 3.14Å; L87-I91 HydrophobicContact CD1-CD1 4.27Å; L87-I91 HydrophobicContact CD1-CG1 4.44Å; L87-I91 HydrophobicContact CG-CD1 3.98Å; L87-I91 WeakPolarHBondContact O-CG1 3.39Å; L87-I91 PolarHBondContact O-N 2.95Å; L87-F103 HydrophobicContact CD2-CD2 3.78Å; L87-F103 HydrophobicContact CD2-CE2 3.45Å; L87-F103 VanDerWaalsContact CD2-CE2 3.45Å; L87-F103 HydrophobicContact CD2-CZ 4.3Å; L87-V115 HydrophobicContact CD1-CG2 4.34Å; L87-V115 HydrophobicContact CD2-CG2 4.22Å; L87-Y165 HydrophobicContact CB-CD2 4.4Å; L87-Y165 HydrophobicContact CB-CE2 4.04Å; L87-Y165 HydrophobicContact CD1-CD2 4.09Å; L87-Y165 HydrophobicContact CD1-CE2 4.35Å
88	K	96.9	Very high	95.7	Very high	79 Å²	79	56.5 Å²	56.5	34%	0.343	31%	0.309	S	S	.	.	H	α-helix	trans	-58.4	-52.9	174.7	-169.8	169	-177.3	154.7	0	111.9	E81 P82 N84 P85 V86 T90 I91 D92	E81-K88 IonicContact OE2-NZ 3.83Å; E81-K88 PolarHBondContact OE2-NZ 2.83Å; P82-K88 HydrophobicContact CB-CB 3.96Å; P82-K88 HydrophobicContact CB-CG 4.49Å; P82-K88 HydrophobicContact CG-CB 4.35Å; P82-K88 HydrophobicContact CG-CG 4.45Å; N84-K88 PolarHBondContact O-N 2.95Å; P85-K88 PolarHBondContact O-N 3.04Å; V86-K88 VanDerWaalsContact C-N 3.29Å; V86-K88 PolarHBondContact O-N 2.88Å; K88-T90 PolarHBondContact O-N 2.88Å; K88-I91 PolarHBondContact O-N 3.15Å; K88-D92 WeakPolarHBondContact O-CB 3.38Å; K88-D92 VanDerWaalsContact O-CG 3.28Å; K88-D92 PolarHBondContact O-N 2.95Å
89	R	97.4	Very high	95.7	Very high	96 Å²	96	52 Å²	52	36%	0.362	29%	0.289	S	S	.	.	H	α-helix	trans	-58.1	-39.7	177.1	-70.9	-169.6	-63.7	-95.1	9	112	P85 V86 K93 Q168	P85-R89 WeakPolarHBondContact O-CG 3.4Å; P85-R89 PolarHBondContact O-N 3.14Å; V86-R89 PolarHBondContact O-N 3.09Å; R89-K93 WeakPolarHBondContact O-CB 3.4Å; R89-K93 PolarHBondContact O-N 3.27Å; R89-Q168 HydrophobicContact CB-CB 4.31Å; R89-Q168 HydrophobicContact CB-CG 4.16Å; R89-Q168 PolarHBondContact NH2-O 2.79Å
90	T	97.5	Very high	95.6	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-59.9	-53.3	177.2	-55.8	0	0	0	0	111	V86 L87 K88 K93 M94 L161 E164 Y165	V86-T90 WeakPolarHBondContact O-CB 3.15Å; V86-T90 PolarHBondContact O-N 2.94Å; V86-T90 PolarHBondContact O-OG1 2.98Å; L87-T90 WeakPolarHBondContact O-CB 3.47Å; L87-T90 PolarHBondContact O-N 3.14Å; K88-T90 PolarHBondContact O-N 2.88Å; T90-K93 PolarHBondContact O-N 3.08Å; T90-M94 HydrophobicContact CG2-SD 4.38Å; T90-M94 WeakPolarHBondContact O-CG 3.42Å; T90-M94 PolarHBondContact O-N 3.29Å; T90-L161 HydrophobicContact CG2-CD1 3.83Å; T90-E164 HydrophobicContact CG2-CB 3.82Å; T90-E164 HydrophobicContact CG2-CG 3.78Å; T90-Y165 WeakPolarHBondContact OG1-CA 3.37Å
91	I	97.8	Very high	95.7	Very high	9 Å²	9	49.6 Å²	49.6	5%	0.046	27%	0.273	C	S	.	.	H	α-helix	trans	-62.9	-45.5	180	-70.4	172.8	0	0	0	110.9	P82 L87 K88 K93 M94 N95 I101 F103	P82-I91 HydrophobicContact CG-CD1 3.82Å; L87-I91 HydrophobicContact CD1-CD1 4.27Å; L87-I91 HydrophobicContact CD1-CG1 4.44Å; L87-I91 HydrophobicContact CG-CD1 3.98Å; L87-I91 WeakPolarHBondContact O-CG1 3.39Å; L87-I91 PolarHBondContact O-N 2.95Å; K88-I91 PolarHBondContact O-N 3.15Å; I91-K93 VanDerWaalsContact C-N 3.32Å; I91-K93 PolarHBondContact O-N 3.19Å; I91-M94 PolarHBondContact O-N 3.02Å; I91-N95 WeakPolarHBondContact CG2-ND2 3.46Å; I91-N95 VanDerWaalsContact O-CB 3.31Å; I91-N95 WeakPolarHBondContact O-CB 3.19Å; I91-N95 VanDerWaalsContact O-CG 3.29Å; I91-N95 PolarHBondContact O-N 3.33Å; I91-N95 PolarHBondContact O-ND2 2.84Å; I91-I101 HydrophobicContact CD1-CG2 4.35Å; I91-I101 HydrophobicContact CG1-CG2 4.05Å; I91-I101 HydrophobicContact CG2-CB 4.27Å; I91-I101 HydrophobicContact CG2-CG2 4.42Å; I91-F103 HydrophobicContact CD1-CB 4.03Å; I91-F103 HydrophobicContact CD1-CD2 4.45Å
92	D	97.8	Very high	95.8	Very high	86 Å²	86	45.8 Å²	45.8	46%	0.46	25%	0.254	S	S	.	.	H	α-helix	trans	-60.2	-43.1	178.5	-72.1	-19.7	0	0	0	111.3	K88 N95 A96	K88-D92 WeakPolarHBondContact O-CB 3.38Å; K88-D92 VanDerWaalsContact O-CG 3.28Å; K88-D92 PolarHBondContact O-N 2.95Å; D92-N95 PolarHBondContact O-N 2.92Å; D92-A96 VanDerWaalsContact O-CB 3.28Å; D92-A96 WeakPolarHBondContact O-CB 3.4Å; D92-A96 PolarHBondContact O-N 3.27Å
93	K	97.8	Very high	96	Very high	103 Å²	103	45.4 Å²	45.4	45%	0.448	25%	0.25	S	C	.	.	H	α-helix	trans	-66.6	-43	178.9	-178.5	59	175.2	-174.9	0	112.5	R89 T90 I91 A96 S97 E164	R89-K93 WeakPolarHBondContact O-CB 3.4Å; R89-K93 PolarHBondContact O-N 3.27Å; T90-K93 PolarHBondContact O-N 3.08Å; I91-K93 VanDerWaalsContact C-N 3.32Å; I91-K93 PolarHBondContact O-N 3.19Å; K93-A96 PolarHBondContact O-N 2.91Å; K93-S97 WeakPolarHBondContact O-CB 3.21Å; K93-S97 PolarHBondContact O-N 3.49Å; K93-S97 VanDerWaalsContact O-N 3.09Å; K93-S97 PolarHBondContact O-OG 3.14Å; K93-E164 HydrophobicContact CB-CG 4.44Å; K93-E164 HydrophobicContact CG-CG 4.35Å; K93-E164 WeakPolarHBondContact CG-OE1 3.31Å
94	M	97.6	Very high	96.4	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-66.2	-43	176.7	-70.3	-175	79.3	0	0	111.4	T90 I91 S97 G98 C99 I101 W160 L161 E164	T90-M94 HydrophobicContact CG2-SD 4.38Å; T90-M94 WeakPolarHBondContact O-CG 3.42Å; T90-M94 PolarHBondContact O-N 3.29Å; I91-M94 PolarHBondContact O-N 3.02Å; M94-S97 CarbonylContact O-C 3.54Å; M94-S97 WeakPolarHBondContact O-CA 3.22Å; M94-S97 PolarHBondContact O-N 3.13Å; M94-G98 PolarHBondContact O-N 3.33Å; M94-C99 HydrophobicContact CB-CB 4.24Å; M94-C99 VanDerWaalsContact O-CB 3.3Å; M94-C99 WeakPolarHBondContact O-CB 3.48Å; M94-C99 PolarHBondContact O-N 3.44Å; M94-C99 VanDerWaalsContact O-N 3.08Å; M94-I101 HydrophobicContact CB-CD1 3.73Å; M94-I101 HydrophobicContact CE-CD1 3.55Å; M94-I101 HydrophobicContact CG-CD1 4.2Å; M94-I101 HydrophobicContact SD-CD1 3.37Å; M94-I101 WeakPolarHBondContact SD-CD1 3.27Å; M94-W160 HydrophobicContact CE-CB 3.82Å; M94-W160 HydrophobicContact CE-CD2 3.87Å; M94-W160 HydrophobicContact CE-CE3 4.25Å; M94-W160 HydrophobicContact CE-CG 3.68Å; M94-L161 HydrophobicContact CE-CB 4.24Å; M94-L161 VanDerWaalsContact SD-CA 3.56Å; M94-L161 HydrophobicContact SD-CB 3.96Å; M94-L161 HydrophobicContact SD-CD1 3.82Å; M94-E164 HydrophobicContact CG-CG 4.33Å
95	N	97.3	Very high	96.7	Very high	56 Å²	56	44.1 Å²	44.1	30%	0.299	23%	0.234	S	C	.	.	H	α-helix	trans	-62.5	-43	176	-75.3	-20.3	0	0	0	111.5	I91 D92 S97 G98 C99 K100 I101	I91-N95 WeakPolarHBondContact CG2-ND2 3.46Å; I91-N95 VanDerWaalsContact O-CB 3.31Å; I91-N95 WeakPolarHBondContact O-CB 3.19Å; I91-N95 VanDerWaalsContact O-CG 3.29Å; I91-N95 PolarHBondContact O-N 3.33Å; I91-N95 PolarHBondContact O-ND2 2.84Å; D92-N95 PolarHBondContact O-N 2.92Å; N95-S97 PolarHBondContact O-N 3.42Å; N95-G98 PolarHBondContact O-N 3.22Å; N95-G98 VanDerWaalsContact O-N 3.12Å; N95-C99 WeakPolarHBondContact CA-O 3.38Å; N95-C99 PolarHBondContact OD1-O 3.49Å; N95-K100 VanDerWaalsContact OD1-CA 3.27Å; N95-K100 WeakPolarHBondContact OD1-CA 3.47Å; N95-I101 PolarHBondContact ND2-O 2.95Å; N95-I101 PolarHBondContact OD1-N 2.96Å
96	A	97.1	Very high	96.9	Very high	88 Å²	88	40.1 Å²	40.1	73%	0.727	21%	0.208	S	C	*	.	H	α-helix	trans	-62.7	-23.3	173.5	0	0	0	0	0	113.2	D92 K93 G98	D92-A96 VanDerWaalsContact O-CB 3.28Å; D92-A96 WeakPolarHBondContact O-CB 3.4Å; D92-A96 PolarHBondContact O-N 3.27Å; K93-A96 PolarHBondContact O-N 2.91Å; A96-G98 VanDerWaalsContact C-N 3.33Å
97	S	95.1	Very high	97	Very high	46 Å²	46	43.9 Å²	43.9	32%	0.322	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	12.6	178.3	-52.9	0	0	0	0	113.3	K93 M94 N95	K93-S97 WeakPolarHBondContact O-CB 3.21Å; K93-S97 PolarHBondContact O-N 3.49Å; K93-S97 VanDerWaalsContact O-N 3.09Å; K93-S97 PolarHBondContact O-OG 3.14Å; M94-S97 CarbonylContact O-C 3.54Å; M94-S97 WeakPolarHBondContact O-CA 3.22Å; M94-S97 PolarHBondContact O-N 3.13Å; N95-S97 PolarHBondContact O-N 3.42Å
98	G	93.6	Very high	96.9	Very high	26 Å²	26	45.1 Å²	45.1	27%	0.268	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.9	17.1	174.9	0	0	0	0	0	115.2	M94 N95 A96	M94-G98 PolarHBondContact O-N 3.33Å; N95-G98 PolarHBondContact O-N 3.22Å; N95-G98 VanDerWaalsContact O-N 3.12Å; A96-G98 VanDerWaalsContact C-N 3.33Å
99	C	96.3	Very high	96.5	Very high	7 Å²	7	45.5 Å²	45.5	5%	0.047	24%	0.237	C	C	.	.			trans	-92.6	172.3	167.8	-57.3	0	0	0	0	111.3	M94 N95 I101 T122 L157 W160	M94-C99 HydrophobicContact CB-CB 4.24Å; M94-C99 VanDerWaalsContact O-CB 3.3Å; M94-C99 WeakPolarHBondContact O-CB 3.48Å; M94-C99 PolarHBondContact O-N 3.44Å; M94-C99 VanDerWaalsContact O-N 3.08Å; N95-C99 WeakPolarHBondContact CA-O 3.38Å; N95-C99 PolarHBondContact OD1-O 3.49Å; C99-I101 HydrophobicContact CB-CG1 4.38Å; C99-T122 HydrophobicContact CB-CG2 4.13Å; C99-L157 HydrophobicContact CB-CD2 4.46Å; C99-W160 VanDerWaalsContact SG-CZ3 3.5Å
100	K	96.9	Very high	96.1	Very high	76 Å²	76	42.9 Å²	42.9	33%	0.33	24%	0.239	S	C	.	.			trans	-138.2	106.5	169.6	-166.9	-175.5	-158.5	-163	0	109.8	N95 Y102 D118 F121	N95-K100 VanDerWaalsContact OD1-CA 3.27Å; N95-K100 WeakPolarHBondContact OD1-CA 3.47Å; K100-Y102 HydrophobicContact CD-CE2 3.96Å; K100-Y102 WeakPolarHBondContact CE-OH 3.36Å; K100-Y102 HydrophobicContact CG-CE2 3.79Å; K100-Y102 PolarHBondContact NZ-OH 2.81Å; K100-D118 HydrophobicContact CB-CB 4.07Å; K100-D118 HydrophobicContact CD-CB 4.37Å; K100-D118 HydrophobicContact CG-CB 4.46Å; K100-D118 WeakPolarHBondContact O-CB 3.45Å; K100-D118 PolarHBondContact O-N 2.83Å; K100-F121 HydrophobicContact CB-CB 4Å; K100-F121 HydrophobicContact CB-CD1 3.6Å; K100-F121 HydrophobicContact CB-CD2 4.28Å; K100-F121 HydrophobicContact CB-CE1 4.1Å; K100-F121 HydrophobicContact CB-CG 3.69Å; K100-F121 HydrophobicContact CD-CB 4.45Å; K100-F121 HydrophobicContact CD-CD2 3.88Å; K100-F121 HydrophobicContact CD-CE2 4.27Å; K100-F121 HydrophobicContact CD-CG 4.09Å
101	I	97.8	Very high	96	Very high	8 Å²	8	44.9 Å²	44.9	4%	0.041	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	135.1	-174.9	-55.5	179.2	0	0	0	108.7	I91 M94 N95 C99 V115 L116 I117	I91-I101 HydrophobicContact CD1-CG2 4.35Å; I91-I101 HydrophobicContact CG1-CG2 4.05Å; I91-I101 HydrophobicContact CG2-CB 4.27Å; I91-I101 HydrophobicContact CG2-CG2 4.42Å; M94-I101 HydrophobicContact CB-CD1 3.73Å; M94-I101 HydrophobicContact CE-CD1 3.55Å; M94-I101 HydrophobicContact CG-CD1 4.2Å; M94-I101 HydrophobicContact SD-CD1 3.37Å; M94-I101 WeakPolarHBondContact SD-CD1 3.27Å; N95-I101 PolarHBondContact ND2-O 2.95Å; N95-I101 PolarHBondContact OD1-N 2.96Å; C99-I101 HydrophobicContact CB-CG1 4.38Å; I101-V115 HydrophobicContact CG2-CG1 3.45Å; I101-V115 VanDerWaalsContact CG2-CG1 3.45Å; I101-L116 WeakPolarHBondContact CA-O 3.45Å; I101-I117 HydrophobicContact CG1-CG1 4.43Å
102	Y	97.8	Very high	95.9	Very high	48 Å²	48	44.7 Å²	44.7	19%	0.188	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	146.8	-179.5	-61.6	-93.8	0	0	0	110	Y68 L79 K100 V115 L116 D118	Y68-Y102 HydrophobicContact CD1-CD2 4.49Å; Y68-Y102 HydrophobicContact CD1-CE2 4.03Å; Y68-Y102 HydrophobicContact CD2-CD1 4.49Å; Y68-Y102 AromaticContact CD2-CD2 3.29Å; Y68-Y102 HydrophobicContact CD2-CD2 3.29Å; Y68-Y102 AromaticContact CD2-CE2 3.6Å; Y68-Y102 HydrophobicContact CD2-CE2 3.6Å; Y68-Y102 AromaticContact CD2-CG 3.78Å; Y68-Y102 HydrophobicContact CD2-CG 3.78Å; Y68-Y102 HydrophobicContact CE1-CE2 4.12Å; Y68-Y102 HydrophobicContact CE2-CD1 4.05Å; Y68-Y102 AromaticContact CE2-CD2 3.62Å; Y68-Y102 HydrophobicContact CE2-CD2 3.62Å; Y68-Y102 HydrophobicContact CE2-CE1 4.08Å; Y68-Y102 AromaticContact CE2-CE2 3.67Å; Y68-Y102 HydrophobicContact CE2-CE2 3.67Å; Y68-Y102 AromaticContact CE2-CG 3.78Å; Y68-Y102 HydrophobicContact CE2-CG 3.78Å; Y68-Y102 AromaticContact CE2-CZ 3.86Å; Y68-Y102 AromaticContact CG-CD2 3.79Å; Y68-Y102 HydrophobicContact CG-CD2 3.79Å; Y68-Y102 AromaticContact CG-CE2 3.78Å; Y68-Y102 HydrophobicContact CG-CE2 3.78Å; Y68-Y102 AromaticContact CZ-CE2 3.94Å; Y68-Y102 AromaticContact CZ-CZ 3.87Å; L79-Y102 HydrophobicContact CD1-CD1 4.34Å; K100-Y102 HydrophobicContact CD-CE2 3.96Å; K100-Y102 WeakPolarHBondContact CE-OH 3.36Å; K100-Y102 HydrophobicContact CG-CE2 3.79Å; K100-Y102 PolarHBondContact NZ-OH 2.81Å; Y102-V115 CarbonylContact O-C 3.59Å; Y102-V115 WeakPolarHBondContact O-CA 3.3Å; Y102-L116 PolarHBondContact N-O 2.79Å; Y102-L116 PolarHBondContact O-N 2.8Å; Y102-D118 HydrophobicContact CE2-CB 4.32Å
103	F	98.3	Very high	96	Very high	10 Å²	10	41.1 Å²	41.1	4%	0.044	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	145.8	173.8	-175.8	-101.3	0	0	0	110.1	F63 I80 P82 L87 I91 Y113 V114 V115	F63-F103 HydrophobicContact CD1-CE2 4.16Å; F63-F103 HydrophobicContact CE1-CE2 4.14Å; F63-F103 HydrophobicContact CE1-CZ 4.49Å; I80-F103 HydrophobicContact CD1-CD1 4.41Å; I80-F103 HydrophobicContact CD1-CE1 3.89Å; I80-F103 HydrophobicContact CG1-CD1 3.81Å; I80-F103 HydrophobicContact CG1-CE1 3.81Å; I80-F103 PolarHBondContact N-O 2.8Å; I80-F103 VanDerWaalsContact N-O 3.16Å; I80-F103 WeakPolarHBondContact O-CD1 3.32Å; I80-F103 VanDerWaalsContact O-O 3.09Å; P82-F103 VanDerWaalsContact CA-CD1 3.43Å; P82-F103 VanDerWaalsContact CA-CE1 3.5Å; P82-F103 HydrophobicContact CB-CD1 4.11Å; P82-F103 HydrophobicContact CB-CE1 4.38Å; P82-F103 HydrophobicContact CB-CG 4.2Å; P82-F103 HydrophobicContact CG-CB 3.84Å; P82-F103 HydrophobicContact CG-CD1 4.04Å; P82-F103 HydrophobicContact CG-CG 3.89Å; L87-F103 HydrophobicContact CD2-CD2 3.78Å; L87-F103 HydrophobicContact CD2-CE2 3.45Å; L87-F103 VanDerWaalsContact CD2-CE2 3.45Å; L87-F103 HydrophobicContact CD2-CZ 4.3Å; I91-F103 HydrophobicContact CD1-CB 4.03Å; I91-F103 HydrophobicContact CD1-CD2 4.45Å; F103-Y113 AromaticContact CE1-CD1 3.85Å; F103-Y113 HydrophobicContact CE1-CD1 3.85Å; F103-Y113 HydrophobicContact CE1-CE1 4.2Å; F103-Y113 HydrophobicContact CE2-CD1 4.24Å; F103-Y113 HydrophobicContact CE2-CG 4.24Å; F103-Y113 AromaticContact CZ-CD1 3.33Å; F103-Y113 HydrophobicContact CZ-CD1 3.33Å; F103-Y113 AromaticContact CZ-CE1 3.96Å; F103-Y113 HydrophobicContact CZ-CE1 3.96Å; F103-Y113 AromaticContact CZ-CG 3.67Å; F103-Y113 HydrophobicContact CZ-CG 3.67Å; F103-V114 WeakPolarHBondContact CA-O 3.22Å; F103-V114 WeakPolarHBondContact CD2-O 3.23Å; F103-V115 HydrophobicContact CD2-CG2 4.13Å
104	G	97.3	Very high	96	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.2	-175.4	-177.1	0	0	0	0	0	113.7	E78 Y113 V114	E78-G104 CarbonylContact O-C 3.51Å; E78-G104 WeakPolarHBondContact O-CA 3.44Å; G104-Y113 WeakPolarHBondContact O-CA 3.22Å; G104-V114 PolarHBondContact N-O 3.09Å; G104-V114 WeakPolarHBondContact O-CG2 3.28Å; G104-V114 PolarHBondContact O-N 3.14Å
105	R	97.3	Very high	96	Very high	81 Å²	81	36.2 Å²	36.2	31%	0.306	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	132.8	165.7	-73.2	-174	172.3	-156.1	0.3	110	V77 E78 I80 L107 P112 Y113	V77-R105 WeakPolarHBondContact CA-O 3.46Å; E78-R105 PolarHBondContact N-O 2.84Å; E78-R105 PolarHBondContact O-N 3.15Å; I80-R105 HydrophobicContact CD1-CG 3.88Å; R105-L107 PolarHBondContact O-N 3.48Å; R105-P112 WeakPolarHBondContact CA-O 3.06Å; R105-Y113 HydrophobicContact CG-CD1 3.9Å; R105-Y113 HydrophobicContact CG-CE1 4.09Å; R105-Y113 VanDerWaalsContact NE-CE1 3.34Å; R105-Y113 PolarHBondContact NH2-OH 3.34Å
106	W	97.6	Very high	96.1	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	123.8	171.9	-163.5	1.4	0	0	0	109.1	A37 Y44 I47 Q48 L64 I108 P112 V114	A37-W106 HydrophobicContact CB-CD2 4.49Å; Y44-W106 HydrophobicContact CD2-CH2 4.22Å; Y44-W106 HydrophobicContact CD2-CZ2 4.01Å; Y44-W106 HydrophobicContact CE2-CH2 4.06Å; Y44-W106 AromaticContact CE2-CZ2 3.38Å; Y44-W106 HydrophobicContact CE2-CZ2 3.38Å; Y44-W106 AromaticContact CZ-CZ2 3.65Å; I47-W106 HydrophobicContact CG2-CZ3 3.88Å; Q48-W106 HydrophobicContact CB-CH2 3.95Å; Q48-W106 HydrophobicContact CB-CZ2 4.26Å; Q48-W106 HydrophobicContact CG-CZ2 4.5Å; L64-W106 HydrophobicContact CD1-CE3 3.81Å; L64-W106 HydrophobicContact CD1-CZ3 4.08Å; W106-I108 HydrophobicContact CB-CD1 4.46Å; W106-I108 HydrophobicContact CB-CG1 4.09Å; W106-I108 HydrophobicContact CD2-CD1 3.56Å; W106-I108 HydrophobicContact CD2-CG1 3.96Å; W106-I108 HydrophobicContact CD2-CG2 4.17Å; W106-I108 HydrophobicContact CE3-CD1 3.49Å; W106-I108 VanDerWaalsContact CE3-CD1 3.49Å; W106-I108 HydrophobicContact CE3-CG1 4.32Å; W106-I108 HydrophobicContact CG-CD1 4.03Å; W106-I108 HydrophobicContact CG-CG1 3.87Å; W106-I108 HydrophobicContact CG-CG2 4.09Å; W106-I108 HydrophobicContact CH2-CD1 4.27Å; W106-I108 HydrophobicContact CZ2-CD1 4.32Å; W106-I108 HydrophobicContact CZ2-CG2 4.37Å; W106-I108 HydrophobicContact CZ3-CD1 3.88Å; W106-I108 PolarHBondContact O-N 3.34Å; W106-P112 HydrophobicContact CB-CG 4.16Å; W106-P112 PolarHBondContact N-O 3.43Å; W106-V114 HydrophobicContact CB-CG1 3.83Å; W106-V114 HydrophobicContact CE3-CG1 4.48Å
107	L	96.3	Very high	96.1	Very high	103 Å²	103	29.4 Å²	29.4	54%	0.539	16%	0.163	S	C	.	.	S	Bend	trans	-77.1	61.8	-177.2	-60.4	176.5	0	0	0	111.7	Q76 E78 R105	Q76-L107 VanDerWaalsContact O-CB 3.25Å; Q76-L107 WeakPolarHBondContact O-CB 3.28Å; Q76-L107 WeakPolarHBondContact O-CG 3.44Å; Q76-L107 PolarHBondContact O-N 2.77Å; E78-L107 HydrophobicContact CB-CD2 4Å; E78-L107 HydrophobicContact CB-CG 4.39Å; R105-L107 PolarHBondContact O-N 3.48Å
108	I	93.8	Very high	96.2	Very high	25 Å²	25	28.7 Å²	28.7	13%	0.128	16%	0.155	C	C	.	.	S	Bend	trans	-130.2	173.7	177.5	61.3	166.4	0	0	0	109.5	Q48 A51 W106 G110 S111 P112	Q48-I108 HydrophobicContact CB-CD1 4.31Å; Q48-I108 HydrophobicContact CG-CB 4.22Å; Q48-I108 HydrophobicContact CG-CD1 3.92Å; Q48-I108 HydrophobicContact CG-CG2 3.94Å; A51-I108 HydrophobicContact CB-CD1 3.73Å; W106-I108 HydrophobicContact CB-CD1 4.46Å; W106-I108 HydrophobicContact CB-CG1 4.09Å; W106-I108 HydrophobicContact CD2-CD1 3.56Å; W106-I108 HydrophobicContact CD2-CG1 3.96Å; W106-I108 HydrophobicContact CD2-CG2 4.17Å; W106-I108 HydrophobicContact CE3-CD1 3.49Å; W106-I108 VanDerWaalsContact CE3-CD1 3.49Å; W106-I108 HydrophobicContact CE3-CG1 4.32Å; W106-I108 HydrophobicContact CG-CD1 4.03Å; W106-I108 HydrophobicContact CG-CG1 3.87Å; W106-I108 HydrophobicContact CG-CG2 4.09Å; W106-I108 HydrophobicContact CH2-CD1 4.27Å; W106-I108 HydrophobicContact CZ2-CD1 4.32Å; W106-I108 HydrophobicContact CZ2-CG2 4.37Å; W106-I108 HydrophobicContact CZ3-CD1 3.88Å; W106-I108 PolarHBondContact O-N 3.34Å; I108-G110 PolarHBondContact O-N 2.93Å; I108-S111 PolarHBondContact O-N 3.45Å; I108-P112 HydrophobicContact CD1-CG 4.19Å; I108-P112 HydrophobicContact CG1-CG 4.31Å
109	E	88.7	Confident	96.3	Very high	88 Å²	88	27.9 Å²	27.9	41%	0.411	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	131.5	175.7	-161.8	174.9	-173.1	0	0	111	R52	R52-E109 HydrophobicContact CB-CG 4.22Å; R52-E109 WeakPolarHBondContact CD-OE1 3.48Å; R52-E109 HydrophobicContact CG-CG 4.15Å; R52-E109 IonicContact CZ-OE1 2.95Å; R52-E109 IonicContact NE-OE1 3.39Å; R52-E109 IonicContact NH1-OE1 3.42Å; R52-E109 PolarHBondContact NH1-OE1 2.76Å
110	G	89.7	Confident	96.2	Very high	41 Å²	41	30.1 Å²	30.1	42%	0.423	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.7	-20	-171.3	0	0	0	0	0	114.8	I108	I108-G110 PolarHBondContact O-N 2.93Å
111	S	94.8	Very high	96.1	Very high	41 Å²	41	31.4 Å²	31.4	29%	0.287	18%	0.175	S	C	.	.			trans	44.9	51.2	179.5	-159.9	0	0	0	0	114.4	I108	I108-S111 PolarHBondContact O-N 3.45Å
112	P	96.4	Very high	95.9	Very high	5 Å²	5	31.1 Å²	31.1	3%	0.032	17%	0.174	C	C	.	.			trans	-67.9	151.9	-174.4	32.9	-39.3	0	0	0	111.7	A51 Y62 L64 R105 W106 I108	A51-P112 HydrophobicContact CB-CG 4Å; Y62-P112 HydrophobicContact CD1-CB 4.03Å; Y62-P112 HydrophobicContact CE1-CB 3.78Å; L64-P112 HydrophobicContact CD1-CB 3.93Å; L64-P112 HydrophobicContact CD1-CG 3.65Å; R105-P112 WeakPolarHBondContact CA-O 3.06Å; W106-P112 HydrophobicContact CB-CG 4.16Å; W106-P112 PolarHBondContact N-O 3.43Å; I108-P112 HydrophobicContact CD1-CG 4.19Å; I108-P112 HydrophobicContact CG1-CG 4.31Å
113	Y	97.9	Very high	95.7	Very high	11 Å²	11	31.1 Å²	31.1	4%	0.043	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	138.6	171.4	-66.8	-57	0	0	0	110.9	E60 F63 L64 I80 F103 G104 R105	E60-Y113 HydrophobicContact CB-CE2 3.98Å; E60-Y113 HydrophobicContact CG-CE2 4.06Å; E60-Y113 PolarHBondContact OE1-OH 3.14Å; F63-Y113 HydrophobicContact CD1-CG 4.48Å; F63-Y113 HydrophobicContact CE1-CD2 4.06Å; F63-Y113 HydrophobicContact CE1-CG 4.3Å; L64-Y113 PolarHBondContact N-O 2.94Å; I80-Y113 HydrophobicContact CD1-CD1 4.44Å; I80-Y113 HydrophobicContact CD1-CE1 4.06Å; F103-Y113 AromaticContact CE1-CD1 3.85Å; F103-Y113 HydrophobicContact CE1-CD1 3.85Å; F103-Y113 HydrophobicContact CE1-CE1 4.2Å; F103-Y113 HydrophobicContact CE2-CD1 4.24Å; F103-Y113 HydrophobicContact CE2-CG 4.24Å; F103-Y113 AromaticContact CZ-CD1 3.33Å; F103-Y113 HydrophobicContact CZ-CD1 3.33Å; F103-Y113 AromaticContact CZ-CE1 3.96Å; F103-Y113 HydrophobicContact CZ-CE1 3.96Å; F103-Y113 AromaticContact CZ-CG 3.67Å; F103-Y113 HydrophobicContact CZ-CG 3.67Å; G104-Y113 WeakPolarHBondContact O-CA 3.22Å; R105-Y113 HydrophobicContact CG-CD1 3.9Å; R105-Y113 HydrophobicContact CG-CE1 4.09Å; R105-Y113 VanDerWaalsContact NE-CE1 3.34Å; R105-Y113 PolarHBondContact NH2-OH 3.34Å
114	V	98.1	Very high	95.5	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	138.2	176.8	-72.4	0	0	0	0	111.6	V36 L64 V77 F103 G104 W106 L116	V36-V114 HydrophobicContact CG1-CG1 3.96Å; L64-V114 HydrophobicContact CB-CG1 3.81Å; L64-V114 HydrophobicContact CD1-CG1 4.49Å; L64-V114 CarbonylContact O-C 3.56Å; L64-V114 VanDerWaalsContact O-CA 3.26Å; L64-V114 WeakPolarHBondContact O-CA 3.19Å; V77-V114 HydrophobicContact CG1-CG2 3.79Å; F103-V114 WeakPolarHBondContact CA-O 3.22Å; F103-V114 WeakPolarHBondContact CD2-O 3.23Å; G104-V114 PolarHBondContact N-O 3.09Å; G104-V114 WeakPolarHBondContact O-CG2 3.28Å; G104-V114 PolarHBondContact O-N 3.14Å; W106-V114 HydrophobicContact CB-CG1 3.83Å; W106-V114 HydrophobicContact CE3-CG1 4.48Å; V114-L116 HydrophobicContact CB-CD2 4.3Å; V114-L116 HydrophobicContact CB-CG 4.38Å; V114-L116 HydrophobicContact CG2-CG 4.38Å
115	V	98.5	Very high	95.3	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	113.2	168.7	-174.7	0	0	0	0	107.8	L64 V65 G66 L87 I101 Y102 F103 L161	L64-V115 PolarHBondContact O-N 3.27Å; V65-V115 WeakPolarHBondContact CA-O 3.45Å; V65-V115 HydrophobicContact CG2-CB 4.32Å; G66-V115 PolarHBondContact N-O 2.8Å; L87-V115 HydrophobicContact CD1-CG2 4.34Å; L87-V115 HydrophobicContact CD2-CG2 4.22Å; I101-V115 HydrophobicContact CG2-CG1 3.45Å; I101-V115 VanDerWaalsContact CG2-CG1 3.45Å; Y102-V115 CarbonylContact O-C 3.59Å; Y102-V115 WeakPolarHBondContact O-CA 3.3Å; F103-V115 HydrophobicContact CD2-CG2 4.13Å; V115-L161 HydrophobicContact CB-CD2 4.49Å; V115-L161 HydrophobicContact CG1-CD1 4.34Å; V115-L161 HydrophobicContact CG1-CD2 3.92Å
116	L	98.4	Very high	95.3	Very high	1 Å²	1	36 Å²	36	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	121.8	-175.2	-57.4	179	0	0	0	110.8	V36 A37 G66 Y68 V73 V77 I101 Y102 V114	V36-L116 HydrophobicContact CG1-CD2 4.35Å; A37-L116 HydrophobicContact CB-CD2 4.28Å; G66-L116 CarbonylContact O-C 3.58Å; G66-L116 WeakPolarHBondContact O-CA 3.49Å; Y68-L116 HydrophobicContact CD2-CB 4.12Å; Y68-L116 HydrophobicContact CD2-CD1 4.42Å; V73-L116 HydrophobicContact CG2-CD1 3.53Å; V77-L116 HydrophobicContact CG1-CD1 4.25Å; V77-L116 HydrophobicContact CG2-CD1 4.25Å; I101-L116 WeakPolarHBondContact CA-O 3.45Å; Y102-L116 PolarHBondContact N-O 2.79Å; Y102-L116 PolarHBondContact O-N 2.8Å; V114-L116 HydrophobicContact CB-CD2 4.3Å; V114-L116 HydrophobicContact CB-CG 4.38Å; V114-L116 HydrophobicContact CG2-CG 4.38Å
117	I	98.3	Very high	95.2	Very high	1 Å²	1	42 Å²	42	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	122	-172.8	-57.2	175.3	0	0	0	109.7	V65 G66 P67 Y68 I101 V119 F154 L157 T158	V65-I117 HydrophobicContact CG1-CD1 3.88Å; V65-I117 HydrophobicContact CG1-CG1 4.43Å; G66-I117 PolarHBondContact O-N 3.39Å; P67-I117 CarbonylContact C-O 3.56Å; P67-I117 WeakPolarHBondContact CA-O 3.36Å; Y68-I117 PolarHBondContact N-O 3.25Å; I101-I117 HydrophobicContact CG1-CG1 4.43Å; I117-V119 PolarHBondContact O-N 3.01Å; I117-V119 VanDerWaalsContact O-N 3.07Å; I117-F154 HydrophobicContact CB-CE2 4.5Å; I117-F154 HydrophobicContact CD1-CE2 4.2Å; I117-L157 HydrophobicContact CD1-CB 4.15Å; I117-L157 HydrophobicContact CG2-CB 3.82Å; I117-L157 HydrophobicContact CG2-CD1 3.44Å; I117-L157 VanDerWaalsContact CG2-CD1 3.44Å; I117-L157 HydrophobicContact CG2-CD2 4.46Å; I117-L157 HydrophobicContact CG2-CG 4.09Å; I117-T158 HydrophobicContact CD1-CG2 3.9Å
118	D	97.4	Very high	95.3	Very high	30 Å²	30	43.6 Å²	43.6	16%	0.16	24%	0.235	C	C	.	.			trans	-79	92.5	173.2	-170.7	-19.2	0	0	0	110.4	K100 Y102 G120 F121 T122	K100-D118 HydrophobicContact CB-CB 4.07Å; K100-D118 HydrophobicContact CD-CB 4.37Å; K100-D118 HydrophobicContact CG-CB 4.46Å; K100-D118 WeakPolarHBondContact O-CB 3.45Å; K100-D118 PolarHBondContact O-N 2.83Å; Y102-D118 HydrophobicContact CE2-CB 4.32Å; D118-G120 VanDerWaalsContact C-N 3.28Å; D118-G120 PolarHBondContact O-N 3.47Å; D118-G120 PolarHBondContact OD1-N 3.46Å; D118-G120 VanDerWaalsContact OD1-N 3.12Å; D118-F121 HydrophobicContact CB-CB 3.97Å; D118-F121 PolarHBondContact O-N 3.09Å; D118-F121 PolarHBondContact OD1-N 3.43Å; D118-T122 PolarHBondContact O-OG1 3.45Å
119	V	95.6	Very high	95.5	Very high	9 Å²	9	43 Å²	43	6%	0.055	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-37.4	178.4	179.1	0	0	0	0	111.2	W34 P67 I117 F121 T122 A123 D150 L153 F154	W34-V119 HydrophobicContact CH2-CG2 4.36Å; W34-V119 HydrophobicContact CZ3-CG2 4.32Å; P67-V119 HydrophobicContact CB-CG2 4.38Å; I117-V119 PolarHBondContact O-N 3.01Å; I117-V119 VanDerWaalsContact O-N 3.07Å; V119-F121 PolarHBondContact O-N 3.13Å; V119-T122 PolarHBondContact O-N 2.99Å; V119-T122 PolarHBondContact O-OG1 2.92Å; V119-T122 VanDerWaalsContact O-OG1 3.06Å; V119-A123 PolarHBondContact O-N 3.38Å; V119-D150 HydrophobicContact CG1-CB 4.31Å; V119-L153 HydrophobicContact CG1-CB 3.47Å; V119-L153 VanDerWaalsContact CG1-CB 3.47Å; V119-L153 HydrophobicContact CG1-CD1 3.68Å; V119-L153 HydrophobicContact CG1-CG 4.22Å; V119-F154 HydrophobicContact CG2-CB 4.03Å; V119-F154 HydrophobicContact CG2-CD2 4Å; V119-F154 HydrophobicContact CG2-CG 4.46Å
120	G	94.1	Very high	95.9	Very high	54 Å²	54	40.3 Å²	40.3	56%	0.557	22%	0.218	S	C	*	.	G	3₁₀ helix	trans	-66.4	-37.4	-179.7	0	0	0	0	0	112.5	D118 T122 A123	D118-G120 VanDerWaalsContact C-N 3.28Å; D118-G120 PolarHBondContact O-N 3.47Å; D118-G120 PolarHBondContact OD1-N 3.46Å; D118-G120 VanDerWaalsContact OD1-N 3.12Å; G120-T122 PolarHBondContact O-N 3.44Å; G120-A123 VanDerWaalsContact O-CB 3.31Å; G120-A123 WeakPolarHBondContact O-CB 3.41Å; G120-A123 PolarHBondContact O-N 2.91Å
121	F	94.9	Very high	96.2	Very high	104 Å²	104	41.6 Å²	41.6	46%	0.456	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-62.3	-28.6	177.8	-168.7	-93.1	0	0	0	113.2	K100 D118 V119	K100-F121 HydrophobicContact CB-CB 4Å; K100-F121 HydrophobicContact CB-CD1 3.6Å; K100-F121 HydrophobicContact CB-CD2 4.28Å; K100-F121 HydrophobicContact CB-CE1 4.1Å; K100-F121 HydrophobicContact CB-CG 3.69Å; K100-F121 HydrophobicContact CD-CB 4.45Å; K100-F121 HydrophobicContact CD-CD2 3.88Å; K100-F121 HydrophobicContact CD-CE2 4.27Å; K100-F121 HydrophobicContact CD-CG 4.09Å; D118-F121 HydrophobicContact CB-CB 3.97Å; D118-F121 PolarHBondContact O-N 3.09Å; D118-F121 PolarHBondContact OD1-N 3.43Å; V119-F121 PolarHBondContact O-N 3.13Å
122	T	93.1	Very high	96.4	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.012	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-100.1	8	-176.3	52.4	0	0	0	0	113.6	C99 D118 V119 G120 W124 S125 L157	C99-T122 HydrophobicContact CB-CG2 4.13Å; D118-T122 PolarHBondContact O-OG1 3.45Å; V119-T122 PolarHBondContact O-N 2.99Å; V119-T122 PolarHBondContact O-OG1 2.92Å; V119-T122 VanDerWaalsContact O-OG1 3.06Å; G120-T122 PolarHBondContact O-N 3.44Å; T122-W124 PolarHBondContact O-N 3.12Å; T122-S125 PolarHBondContact O-N 3.26Å; T122-S125 PolarHBondContact O-OG 3.06Å; T122-L157 HydrophobicContact CG2-CD1 4.34Å; T122-L157 HydrophobicContact CG2-CD2 4.02Å; T122-L157 WeakPolarHBondContact OG1-CD1 3.49Å
123	A	92.6	Very high	96.4	Very high	48 Å²	48	42.1 Å²	42.1	40%	0.397	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-57.5	-23.1	-178.4	0	0	0	0	0	114.2	V119 G120 S125 L126 L153	V119-A123 PolarHBondContact O-N 3.38Å; G120-A123 VanDerWaalsContact O-CB 3.31Å; G120-A123 WeakPolarHBondContact O-CB 3.41Å; G120-A123 PolarHBondContact O-N 2.91Å; A123-S125 PolarHBondContact O-N 2.49Å; A123-S125 VanDerWaalsContact O-N 3.12Å; A123-L126 VanDerWaalsContact O-CB 3.25Å; A123-L126 WeakPolarHBondContact O-CB 3.41Å; A123-L126 PolarHBondContact O-N 2.88Å; A123-L126 VanDerWaalsContact O-N 3.12Å; A123-L153 HydrophobicContact CB-CD1 4.35Å
124	W	94	Very high	96.3	Very high	164 Å²	164	48.5 Å²	48.5	62%	0.621	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-59	-21.4	174.9	63.8	-96.4	0	0	0	113.7	T122	T122-W124 PolarHBondContact O-N 3.12Å
125	S	94.9	Very high	96.2	Very high	2 Å²	2	54.6 Å²	54.6	1%	0.014	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-92.8	-4.5	-179.3	66.9	0	0	0	0	114.1	T122 A123 D127 R128 W129	T122-S125 PolarHBondContact O-N 3.26Å; T122-S125 PolarHBondContact O-OG 3.06Å; A123-S125 PolarHBondContact O-N 2.49Å; A123-S125 VanDerWaalsContact O-N 3.12Å; S125-D127 PolarHBondContact O-N 2.86Å; S125-R128 WeakPolarHBondContact O-CB 3.36Å; S125-R128 PolarHBondContact O-N 3.28Å; S125-W129 PolarHBondContact O-N 2.83Å; S125-W129 VanDerWaalsContact OG-CE3 3.32Å; S125-W129 WeakPolarHBondContact OG-CH2 3.36Å; S125-W129 WeakPolarHBondContact OG-CZ3 3.5Å
126	L	96.4	Very high	96	Very high	28 Å²	28	57.8 Å²	57.8	15%	0.147	29%	0.292	C	S	.	.	H	α-helix	trans	-56.9	-48.6	-170.5	179.2	63.4	0	0	0	112.9	A123 R128 W129 K130 N149 V152 L153	A123-L126 VanDerWaalsContact O-CB 3.25Å; A123-L126 WeakPolarHBondContact O-CB 3.41Å; A123-L126 PolarHBondContact O-N 2.88Å; A123-L126 VanDerWaalsContact O-N 3.12Å; L126-R128 VanDerWaalsContact C-N 3.31Å; L126-R128 PolarHBondContact O-N 3.46Å; L126-W129 PolarHBondContact O-N 3.35Å; L126-K130 HydrophobicContact CD1-CD 4.33Å; L126-K130 HydrophobicContact CD1-CG 4.13Å; L126-K130 HydrophobicContact CG-CD 4.27Å; L126-K130 HydrophobicContact CG-CG 4.41Å; L126-K130 WeakPolarHBondContact O-CB 3.39Å; L126-K130 WeakPolarHBondContact O-CG 3.5Å; L126-K130 PolarHBondContact O-N 3.36Å; L126-N149 HydrophobicContact CD1-CB 4.15Å; L126-N149 HydrophobicContact CD2-CB 3.95Å; L126-V152 HydrophobicContact CD1-CB 4.32Å; L126-V152 HydrophobicContact CD1-CG1 4.21Å; L126-L153 HydrophobicContact CB-CD2 4.07Å; L126-L153 HydrophobicContact CB-CG 4.5Å; L126-L153 HydrophobicContact CD1-CD1 4.31Å; L126-L153 HydrophobicContact CD1-CD2 4.26Å; L126-L153 HydrophobicContact CD1-CG 3.91Å
127	D	96.4	Very high	95.7	Very high	125 Å²	125	59.3 Å²	59.3	67%	0.668	30%	0.302	S	S	*	.	H	α-helix	trans	-64	-38.3	-176.6	-69.1	-24.7	0	0	0	112.1	S125 S131	S125-D127 PolarHBondContact O-N 2.86Å; D127-S131 PolarHBondContact O-N 2.98Å; D127-S131 VanDerWaalsContact O-N 3.08Å; D127-S131 PolarHBondContact O-OG 3.08Å
128	R	97.2	Very high	95.6	Very high	136 Å²	136	62.5 Å²	62.5	51%	0.513	33%	0.329	S	S	.	.	H	α-helix	trans	-62.8	-49.1	174.5	-177.6	-174.5	69.2	179.9	-0.9	110.5	S125 L126 S131 E132	S125-R128 WeakPolarHBondContact O-CB 3.36Å; S125-R128 PolarHBondContact O-N 3.28Å; L126-R128 VanDerWaalsContact C-N 3.31Å; L126-R128 PolarHBondContact O-N 3.46Å; R128-S131 WeakPolarHBondContact O-CB 3.33Å; R128-S131 PolarHBondContact O-N 3.17Å; R128-E132 PolarHBondContact O-N 3.29Å
129	W	97.3	Very high	95.5	Very high	12 Å²	12	61.7 Å²	61.7	5%	0.045	32%	0.324	C	S	.	.	H	α-helix	trans	-71.8	-27.9	-177.6	-71.8	-19.4	0	0	0	113.7	S125 L126 L133 V152 L153 F156 L157 W160	S125-W129 PolarHBondContact O-N 2.83Å; S125-W129 VanDerWaalsContact OG-CE3 3.32Å; S125-W129 WeakPolarHBondContact OG-CH2 3.36Å; S125-W129 WeakPolarHBondContact OG-CZ3 3.5Å; L126-W129 PolarHBondContact O-N 3.35Å; W129-L133 VanDerWaalsContact O-CB 3.24Å; W129-L133 WeakPolarHBondContact O-CB 3.42Å; W129-L133 PolarHBondContact O-N 2.81Å; W129-V152 HydrophobicContact CB-CG1 4.27Å; W129-L153 HydrophobicContact CE3-CD2 3.72Å; W129-L153 HydrophobicContact CZ3-CB 4.47Å; W129-L153 HydrophobicContact CZ3-CD2 3.73Å; W129-F156 HydrophobicContact CB-CD1 4.05Å; W129-F156 HydrophobicContact CB-CD2 3.73Å; W129-F156 HydrophobicContact CB-CE1 4Å; W129-F156 HydrophobicContact CB-CE2 3.68Å; W129-F156 HydrophobicContact CB-CG 3.92Å; W129-F156 HydrophobicContact CB-CZ 3.82Å; W129-F156 AromaticContact CD1-CD1 3.46Å; W129-F156 VanDerWaalsContact CD1-CD1 3.46Å; W129-F156 AromaticContact CD1-CE1 3.59Å; W129-F156 HydrophobicContact CD2-CB 3.54Å; W129-F156 AromaticContact CD2-CD1 3.74Å; W129-F156 HydrophobicContact CD2-CD1 3.74Å; W129-F156 HydrophobicContact CD2-CD2 4.18Å; W129-F156 HydrophobicContact CD2-CE1 4.48Å; W129-F156 AromaticContact CD2-CG 3.55Å; W129-F156 HydrophobicContact CD2-CG 3.55Å; W129-F156 AromaticContact CE2-CD1 3.87Å; W129-F156 HydrophobicContact CE3-CB 3.36Å; W129-F156 HydrophobicContact CE3-CD1 4.41Å; W129-F156 HydrophobicContact CE3-CD2 4.25Å; W129-F156 AromaticContact CE3-CG 3.78Å; W129-F156 HydrophobicContact CE3-CG 3.78Å; W129-F156 HydrophobicContact CG-CB 4.17Å; W129-F156 AromaticContact CG-CD1 3.53Å; W129-F156 HydrophobicContact CG-CD1 3.53Å; W129-F156 AromaticContact CG-CD2 3.98Å; W129-F156 HydrophobicContact CG-CD2 3.98Å; W129-F156 AromaticContact CG-CE1 3.81Å; W129-F156 HydrophobicContact CG-CE1 3.81Å; W129-F156 HydrophobicContact CG-CE2 4.23Å; W129-F156 AromaticContact CG-CG 3.62Å; W129-F156 HydrophobicContact CG-CG 3.62Å; W129-F156 HydrophobicContact CG-CZ 4.15Å; W129-F156 HydrophobicContact CH2-CB 3.96Å; W129-F156 HydrophobicContact CZ2-CB 4.08Å; W129-F156 HydrophobicContact CZ3-CB 3.59Å; W129-F156 HydrophobicContact CZ3-CG 4.47Å; W129-F156 AromaticContact NE1-CD1 3.66Å; W129-F156 WeakPolarHBondContact O-CE2 3.43Å; W129-F156 VanDerWaalsContact O-CZ 3.28Å; W129-F156 WeakPolarHBondContact O-CZ 3.4Å; W129-L157 HydrophobicContact CH2-CD2 3.74Å; W129-L157 HydrophobicContact CH2-CG 3.85Å; W129-L157 HydrophobicContact CZ3-CD1 4.47Å; W129-L157 HydrophobicContact CZ3-CD2 4.32Å; W129-L157 HydrophobicContact CZ3-CG 3.96Å; W129-W160 HydrophobicContact CZ2-CE3 4.36Å; W129-W160 HydrophobicContact CZ2-CZ3 4.43Å
130	K	97.5	Very high	95.5	Very high	32 Å²	32	63.1 Å²	63.1	14%	0.139	34%	0.341	C	S	.	.	H	α-helix	trans	-65.1	-41.4	167.2	-77.6	-174.1	173.8	-162.4	0	112.3	L126 L133 W134 V141 P142 N149 V152	L126-K130 HydrophobicContact CD1-CD 4.33Å; L126-K130 HydrophobicContact CD1-CG 4.13Å; L126-K130 HydrophobicContact CG-CD 4.27Å; L126-K130 HydrophobicContact CG-CG 4.41Å; L126-K130 WeakPolarHBondContact O-CB 3.39Å; L126-K130 WeakPolarHBondContact O-CG 3.5Å; L126-K130 PolarHBondContact O-N 3.36Å; K130-L133 PolarHBondContact O-N 3.48Å; K130-W134 PolarHBondContact O-N 3.22Å; K130-V141 PolarHBondContact NZ-O 2.81Å; K130-P142 PolarHBondContact NZ-O 3.39Å; K130-P142 VanDerWaalsContact NZ-O 3.15Å; K130-N149 WeakPolarHBondContact CE-OD1 3.46Å; K130-N149 PolarHBondContact NZ-OD1 2.87Å; K130-V152 HydrophobicContact CG-CG1 4.48Å
131	S	97.5	Very high	95.6	Very high	68 Å²	68	61.4 Å²	61.4	48%	0.476	32%	0.319	S	S	.	.	H	α-helix	trans	-63.6	-47	176.4	-54	0	0	0	0	110.2	D127 R128 L133 W134 D135	D127-S131 PolarHBondContact O-N 2.98Å; D127-S131 VanDerWaalsContact O-N 3.08Å; D127-S131 PolarHBondContact O-OG 3.08Å; R128-S131 WeakPolarHBondContact O-CB 3.33Å; R128-S131 PolarHBondContact O-N 3.17Å; S131-L133 PolarHBondContact O-N 2.92Å; S131-W134 WeakPolarHBondContact O-CB 3.37Å; S131-W134 PolarHBondContact O-N 3.12Å; S131-D135 VanDerWaalsContact O-CG 3.31Å; S131-D135 PolarHBondContact O-N 3.46Å
132	E	97.1	Very high	95.6	Very high	57 Å²	57	58.2 Å²	58.2	27%	0.266	31%	0.309	S	S	.	.	H	α-helix	trans	-62.1	-40.7	176.2	-169.6	-178.9	155.4	0	0	112.3	R128 W134 D135 L136 F156 R194	R128-E132 PolarHBondContact O-N 3.29Å; E132-W134 VanDerWaalsContact C-N 3.32Å; E132-W134 PolarHBondContact O-N 3.21Å; E132-D135 PolarHBondContact O-N 3.45Å; E132-L136 HydrophobicContact CG-CD1 3.85Å; E132-L136 HydrophobicContact CG-CG 4.3Å; E132-L136 WeakPolarHBondContact O-CB 3.48Å; E132-L136 VanDerWaalsContact O-CG 3.28Å; E132-L136 WeakPolarHBondContact O-CG 3.4Å; E132-L136 PolarHBondContact O-N 3.12Å; E132-F156 HydrophobicContact CB-CE1 4.33Å; E132-F156 HydrophobicContact CB-CZ 4.14Å; E132-F156 HydrophobicContact CG-CE1 4.21Å; E132-F156 HydrophobicContact CG-CZ 4.31Å; E132-R194 IonicContact OE1-CZ 3.86Å; E132-R194 IonicContact OE1-NE 3.97Å; E132-R194 IonicContact OE1-NH2 3.3Å; E132-R194 PolarHBondContact OE1-NH2 3.28Å; E132-R194 IonicContact OE2-NH2 3.69Å
133	L	96.8	Very high	95.5	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-60.7	-41.3	175.5	177.6	59.9	0	0	0	112.2	W129 K130 S131 C137 I139 V141 V152 F156 L186 L244	W129-L133 VanDerWaalsContact O-CB 3.24Å; W129-L133 WeakPolarHBondContact O-CB 3.42Å; W129-L133 PolarHBondContact O-N 2.81Å; K130-L133 PolarHBondContact O-N 3.48Å; S131-L133 PolarHBondContact O-N 2.92Å; L133-C137 HydrophobicContact CD1-CB 4.15Å; L133-C137 WeakPolarHBondContact O-CB 3.11Å; L133-C137 PolarHBondContact O-N 3.47Å; L133-I139 HydrophobicContact CD1-CB 4.44Å; L133-I139 HydrophobicContact CD2-CB 4.42Å; L133-I139 HydrophobicContact CD2-CG2 4.44Å; L133-I139 HydrophobicContact CG-CB 4.21Å; L133-V141 HydrophobicContact CD2-CG2 4.04Å; L133-V152 HydrophobicContact CD2-CG2 3.87Å; L133-F156 HydrophobicContact CB-CE2 4.29Å; L133-F156 HydrophobicContact CB-CZ 4.45Å; L133-L186 HydrophobicContact CD1-CD1 3.5Å; L133-L186 HydrophobicContact CD1-CD2 4.45Å; L133-L186 HydrophobicContact CD2-CD2 4.3Å; L133-L244 HydrophobicContact CD2-CD2 4.36Å
134	W	96.8	Very high	95.5	Very high	145 Å²	145	72 Å²	72	55%	0.549	36%	0.355	S	S	.	.	H	α-helix	trans	-64	-45.9	175.2	177.3	-97.9	0	0	0	111.4	K130 S131 E132 L136 A138	K130-W134 PolarHBondContact O-N 3.22Å; S131-W134 WeakPolarHBondContact O-CB 3.37Å; S131-W134 PolarHBondContact O-N 3.12Å; E132-W134 VanDerWaalsContact C-N 3.32Å; E132-W134 PolarHBondContact O-N 3.21Å; W134-L136 VanDerWaalsContact C-N 3.33Å; W134-L136 PolarHBondContact O-N 2.69Å; W134-A138 VanDerWaalsContact CZ3-O 3.27Å; W134-A138 WeakPolarHBondContact CZ3-O 3.37Å; W134-A138 WeakPolarHBondContact O-CA 3.44Å; W134-A138 PolarHBondContact O-N 3.36Å
135	D	96.3	Very high	95.5	Very high	128 Å²	128	64.9 Å²	64.9	68%	0.684	33%	0.329	S	S	*	.	H	α-helix	trans	-65.6	-36.3	-178.8	-66.2	-22	0	0	0	112.4	S131 E132	S131-D135 VanDerWaalsContact O-CG 3.31Å; S131-D135 PolarHBondContact O-N 3.46Å; E132-D135 PolarHBondContact O-N 3.45Å
136	L	93.4	Very high	95.5	Very high	68 Å²	68	73.9 Å²	73.9	36%	0.356	36%	0.363	S	S	.	.	H	α-helix	trans	-81.5	-40.9	-179.1	-68.8	175.4	0	0	0	113.6	E132 W134 L190	E132-L136 HydrophobicContact CG-CD1 3.85Å; E132-L136 HydrophobicContact CG-CG 4.3Å; E132-L136 WeakPolarHBondContact O-CB 3.48Å; E132-L136 VanDerWaalsContact O-CG 3.28Å; E132-L136 WeakPolarHBondContact O-CG 3.4Å; E132-L136 PolarHBondContact O-N 3.12Å; W134-L136 VanDerWaalsContact C-N 3.33Å; W134-L136 PolarHBondContact O-N 2.69Å; L136-L190 HydrophobicContact CD1-CD2 3.99Å
137	C	92.8	Very high	95.5	Very high	33 Å²	33	76.3 Å²	76.3	22%	0.223	37%	0.373	C	S	.	.	H	α-helix	trans	-127.7	-5	-165.9	-58.7	0	0	0	0	114.1	L133 I139	L133-C137 HydrophobicContact CD1-CB 4.15Å; L133-C137 WeakPolarHBondContact O-CB 3.11Å; L133-C137 PolarHBondContact O-N 3.47Å; C137-I139 HydrophobicContact CB-CD1 4.03Å; C137-I139 HydrophobicContact CB-CG1 3.98Å; C137-I139 PolarHBondContact O-N 3.31Å
138	A	95.5	Very high	95.5	Very high	68 Å²	68	70.4 Å²	70.4	56%	0.562	34%	0.341	S	S	*	.			trans	55.2	32.6	-172.6	0	0	0	0	0	114	W134	W134-A138 VanDerWaalsContact CZ3-O 3.27Å; W134-A138 WeakPolarHBondContact CZ3-O 3.37Å; W134-A138 WeakPolarHBondContact O-CA 3.44Å; W134-A138 PolarHBondContact O-N 3.36Å
139	I	96	Very high	95.5	Very high	12 Å²	12	64.6 Å²	64.6	6%	0.062	32%	0.321	C	S	.	.			trans	-103.6	111	177.4	-57.3	177.4	0	0	0	109.3	L133 C137 C243 L244 A247	L133-I139 HydrophobicContact CD1-CB 4.44Å; L133-I139 HydrophobicContact CD2-CB 4.42Å; L133-I139 HydrophobicContact CD2-CG2 4.44Å; L133-I139 HydrophobicContact CG-CB 4.21Å; C137-I139 HydrophobicContact CB-CD1 4.03Å; C137-I139 HydrophobicContact CB-CG1 3.98Å; C137-I139 PolarHBondContact O-N 3.31Å; I139-C243 HydrophobicContact CD1-CB 4.12Å; I139-C243 HydrophobicContact CG1-CB 4.1Å; I139-C243 HydrophobicContact CG2-CB 4.08Å; I139-L244 HydrophobicContact CD1-CD2 4.23Å; I139-L244 HydrophobicContact CG2-CD2 4.11Å; I139-L244 HydrophobicContact CG2-CG 4.22Å; I139-A247 HydrophobicContact CD1-CB 3.95Å
140	G	95.1	Very high	95.5	Very high	40 Å²	40	66 Å²	66	41%	0.412	33%	0.329	S	S	.	.			trans	-89.3	134.7	175	0	0	0	0	0	111.8	H240	G140-H240 WeakPolarHBondContact O-CB 3.38Å
141	V	96.1	Very high	95.5	Very high	17 Å²	17	64.5 Å²	64.5	10%	0.103	32%	0.322	C	S	.	.			trans	-115.6	117.8	177.8	179.7	0	0	0	0	110.8	K130 L133 A148 V152	K130-V141 PolarHBondContact NZ-O 2.81Å; L133-V141 HydrophobicContact CD2-CG2 4.04Å; V141-A148 HydrophobicContact CG1-CB 3.59Å; V141-V152 HydrophobicContact CB-CG2 4.39Å; V141-V152 HydrophobicContact CG1-CG2 4.45Å; V141-V152 HydrophobicContact CG2-CG2 3.8Å
142	P	94.8	Very high	95.5	Very high	38 Å²	38	61.2 Å²	61.2	25%	0.247	30%	0.3	C	S	.	.			trans	-57.9	150.1	179.1	-23.5	33.1	0	0	0	113.2	K130 F144 N149	K130-P142 PolarHBondContact NZ-O 3.39Å; K130-P142 VanDerWaalsContact NZ-O 3.15Å; P142-F144 HydrophobicContact CB-CD1 4Å; P142-F144 HydrophobicContact CB-CE1 3.56Å; P142-F144 HydrophobicContact CB-CE2 4.22Å; P142-F144 HydrophobicContact CB-CZ 3.68Å; P142-F144 HydrophobicContact CG-CE1 4.44Å; P142-F144 HydrophobicContact CG-CZ 4.2Å; P142-N149 PolarHBondContact O-OD1 3.37Å
143	W	90.6	Very high	95.6	Very high	212 Å²	212	58.7 Å²	58.7	80%	0.803	29%	0.288	S	S	*	.	S	Bend	trans	-69.4	-34.3	-178.5	66.8	-92.9	0	0	0	113.1	D145 N149	W143-D145 VanDerWaalsContact C-N 3.35Å; W143-N149 PolarHBondContact O-ND2 3.41Å
144	F	92.3	Very high	95.7	Very high	127 Å²	127	58.7 Å²	58.7	56%	0.557	29%	0.288	S	S	*	.	S	Bend	trans	-78.3	-17.4	-175.7	59.9	-100.2	0	0	0	113.6	P142 R146	P142-F144 HydrophobicContact CB-CD1 4Å; P142-F144 HydrophobicContact CB-CE1 3.56Å; P142-F144 HydrophobicContact CB-CE2 4.22Å; P142-F144 HydrophobicContact CB-CZ 3.68Å; P142-F144 HydrophobicContact CG-CE1 4.44Å; P142-F144 HydrophobicContact CG-CZ 4.2Å; F144-R146 PolarHBondContact O-N 3.2Å; F144-R146 VanDerWaalsContact O-N 3.09Å
145	D	95.4	Very high	95.7	Very high	14 Å²	14	51.8 Å²	51.8	8%	0.075	26%	0.262	C	S	.	.			trans	-83.4	88	-179.9	-169.3	-18.1	0	0	0	110.4	W143 E147 A148 N149 H240 R241	W143-D145 VanDerWaalsContact C-N 3.35Å; D145-E147 VanDerWaalsContact C-N 3.29Å; D145-E147 PolarHBondContact O-N 3.19Å; D145-E147 PolarHBondContact OD1-N 2.84Å; D145-A148 HydrophobicContact CB-CB 4.05Å; D145-A148 PolarHBondContact O-N 3.24Å; D145-A148 PolarHBondContact OD1-N 3.45Å; D145-A148 VanDerWaalsContact OD1-N 3.09Å; D145-N149 PolarHBondContact O-N 3.19Å; D145-N149 PolarHBondContact O-ND2 3.32Å; D145-N149 VanDerWaalsContact O-ND2 3.14Å; D145-N149 PolarHBondContact O-OD1 3.11Å; D145-H240 IonicContact OD2-CD2 2.82Å; D145-H240 IonicContact OD2-CE1 2.79Å; D145-H240 IonicContact OD2-NE2 3.48Å; D145-H240 PolarHBondContact OD2-NE2 3.37Å; D145-R241 VanDerWaalsContact CG-NH2 3.27Å; D145-R241 IonicContact OD1-CZ 2.8Å; D145-R241 IonicContact OD1-NE 3.26Å; D145-R241 IonicContact OD1-NH2 3.47Å; D145-R241 PolarHBondContact OD1-NH2 3.43Å; D145-R241 IonicContact OD2-CZ 2.67Å; D145-R241 VanDerWaalsContact OD2-CZ 3.31Å; D145-R241 IonicContact OD2-NE 2.71Å; D145-R241 PolarHBondContact OD2-NE 3.29Å; D145-R241 IonicContact OD2-NH2 3.32Å; D145-R241 PolarHBondContact OD2-NH2 3.41Å
146	R	95	Very high	95.8	Very high	192 Å²	192	45.8 Å²	45.8	73%	0.725	23%	0.23	S	C	*	.	H	α-helix	trans	-57.8	-40.6	-179.8	-169.5	-178.3	70.9	158.6	2.9	112.7	F144 N149 D150	F144-R146 PolarHBondContact O-N 3.2Å; F144-R146 VanDerWaalsContact O-N 3.09Å; R146-N149 WeakPolarHBondContact O-CB 3.41Å; R146-N149 PolarHBondContact O-N 3.5Å; R146-D150 WeakPolarHBondContact O-CB 3.17Å; R146-D150 PolarHBondContact O-N 3.03Å
147	E	95.3	Very high	96.1	Very high	79 Å²	79	42.5 Å²	42.5	37%	0.369	21%	0.213	S	C	.	.	H	α-helix	trans	-66.5	-42.6	-177.3	-177.4	-179.2	-167.1	0	0	111.2	D145 D150 A151 W182 L183 R241	D145-E147 VanDerWaalsContact C-N 3.29Å; D145-E147 PolarHBondContact O-N 3.19Å; D145-E147 PolarHBondContact OD1-N 2.84Å; E147-D150 PolarHBondContact O-N 2.77Å; E147-A151 WeakPolarHBondContact O-CB 3.46Å; E147-A151 PolarHBondContact O-N 3.4Å; E147-W182 HydrophobicContact CG-CH2 4.03Å; E147-W182 HydrophobicContact CG-CZ2 4.25Å; E147-L183 HydrophobicContact CG-CD2 3.63Å; E147-R241 IonicContact OE2-CZ 3.45Å; E147-R241 IonicContact OE2-NH1 3.85Å; E147-R241 PolarHBondContact OE2-NH1 3.02Å; E147-R241 IonicContact OE2-NH2 2.64Å; E147-R241 PolarHBondContact OE2-NH2 3.22Å
148	A	96.5	Very high	96.3	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-67.7	-35.6	173.8	0	0	0	0	0	112.2	V141 D145 A151 V152	V141-A148 HydrophobicContact CG1-CB 3.59Å; D145-A148 HydrophobicContact CB-CB 4.05Å; D145-A148 PolarHBondContact O-N 3.24Å; D145-A148 PolarHBondContact OD1-N 3.45Å; D145-A148 VanDerWaalsContact OD1-N 3.09Å; A148-A151 PolarHBondContact O-N 3.45Å; A148-V152 WeakPolarHBondContact O-CG2 3.28Å; A148-V152 PolarHBondContact O-N 3.08Å
149	N	97.4	Very high	96.4	Very high	15 Å²	15	37.8 Å²	37.8	8%	0.08	18%	0.176	C	C	.	.	H	α-helix	trans	-62.6	-44.6	174.1	-65.6	-28.5	0	0	0	112.1	L126 K130 P142 W143 D145 R146 A151 V152 L153	L126-N149 HydrophobicContact CD1-CB 4.15Å; L126-N149 HydrophobicContact CD2-CB 3.95Å; K130-N149 WeakPolarHBondContact CE-OD1 3.46Å; K130-N149 PolarHBondContact NZ-OD1 2.87Å; P142-N149 PolarHBondContact O-OD1 3.37Å; W143-N149 PolarHBondContact O-ND2 3.41Å; D145-N149 PolarHBondContact O-N 3.19Å; D145-N149 PolarHBondContact O-ND2 3.32Å; D145-N149 VanDerWaalsContact O-ND2 3.14Å; D145-N149 PolarHBondContact O-OD1 3.11Å; R146-N149 WeakPolarHBondContact O-CB 3.41Å; R146-N149 PolarHBondContact O-N 3.5Å; N149-A151 VanDerWaalsContact C-N 3.34Å; N149-V152 WeakPolarHBondContact O-CB 3.39Å; N149-V152 PolarHBondContact O-N 3.4Å; N149-L153 PolarHBondContact O-N 3.47Å
150	D	97.3	Very high	96.5	Very high	40 Å²	40	40.2 Å²	40.2	21%	0.214	18%	0.184	C	C	.	.	H	α-helix	trans	-64.4	-40.4	178	-70.9	-16.9	0	0	0	110.8	W34 V119 R146 E147 V152 L153 F154	W34-D150 HydrophobicContact CH2-CB 3.64Å; W34-D150 HydrophobicContact CZ2-CB 4.24Å; W34-D150 HydrophobicContact CZ3-CB 4.28Å; V119-D150 HydrophobicContact CG1-CB 4.31Å; R146-D150 WeakPolarHBondContact O-CB 3.17Å; R146-D150 PolarHBondContact O-N 3.03Å; E147-D150 PolarHBondContact O-N 2.77Å; D150-V152 VanDerWaalsContact C-N 3.32Å; D150-V152 PolarHBondContact O-N 3.35Å; D150-L153 PolarHBondContact O-N 2.91Å; D150-F154 VanDerWaalsContact O-CB 3.25Å; D150-F154 WeakPolarHBondContact O-CB 3.28Å; D150-F154 PolarHBondContact O-N 3.5Å
151	A	97.4	Very high	96.7	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.008	17%	0.165	C	C	.	.	H	α-helix	trans	-62.4	-36.6	173	0	0	0	0	0	112.6	E147 A148 N149 G155 W182 L183	E147-A151 WeakPolarHBondContact O-CB 3.46Å; E147-A151 PolarHBondContact O-N 3.4Å; A148-A151 PolarHBondContact O-N 3.45Å; N149-A151 VanDerWaalsContact C-N 3.34Å; A151-G155 PolarHBondContact O-N 3.19Å; A151-W182 HydrophobicContact CB-CZ3 4.2Å; A151-L183 HydrophobicContact CB-CD2 4.09Å
152	V	98.1	Very high	96.8	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-61.4	-56.7	173.7	170.7	0	0	0	0	110.3	L126 W129 K130 L133 V141 A148 N149 D150 F154 G155 F156 L186	L126-V152 HydrophobicContact CD1-CB 4.32Å; L126-V152 HydrophobicContact CD1-CG1 4.21Å; W129-V152 HydrophobicContact CB-CG1 4.27Å; K130-V152 HydrophobicContact CG-CG1 4.48Å; L133-V152 HydrophobicContact CD2-CG2 3.87Å; V141-V152 HydrophobicContact CB-CG2 4.39Å; V141-V152 HydrophobicContact CG1-CG2 4.45Å; V141-V152 HydrophobicContact CG2-CG2 3.8Å; A148-V152 WeakPolarHBondContact O-CG2 3.28Å; A148-V152 PolarHBondContact O-N 3.08Å; N149-V152 WeakPolarHBondContact O-CB 3.39Å; N149-V152 PolarHBondContact O-N 3.4Å; D150-V152 VanDerWaalsContact C-N 3.32Å; D150-V152 PolarHBondContact O-N 3.35Å; V152-F154 VanDerWaalsContact C-N 3.32Å; V152-F154 PolarHBondContact O-N 2.86Å; V152-G155 PolarHBondContact O-N 3.22Å; V152-F156 HydrophobicContact CG1-CD2 3.92Å; V152-F156 HydrophobicContact CG1-CE2 4Å; V152-F156 WeakPolarHBondContact O-CD2 3.32Å; V152-F156 PolarHBondContact O-N 3.34Å; V152-L186 HydrophobicContact CB-CD2 4.24Å; V152-L186 HydrophobicContact CG1-CD2 4.3Å; V152-L186 HydrophobicContact CG2-CD2 4.18Å
153	L	98.1	Very high	96.9	Very high	3 Å²	3	36.7 Å²	36.7	2%	0.016	16%	0.157	C	C	.	.	H	α-helix	trans	-56.7	-47.2	-179.9	-70.1	163.9	0	0	0	111.5	V119 A123 L126 W129 N149 D150 G155 F156 L157	V119-L153 HydrophobicContact CG1-CB 3.47Å; V119-L153 VanDerWaalsContact CG1-CB 3.47Å; V119-L153 HydrophobicContact CG1-CD1 3.68Å; V119-L153 HydrophobicContact CG1-CG 4.22Å; A123-L153 HydrophobicContact CB-CD1 4.35Å; L126-L153 HydrophobicContact CB-CD2 4.07Å; L126-L153 HydrophobicContact CB-CG 4.5Å; L126-L153 HydrophobicContact CD1-CD1 4.31Å; L126-L153 HydrophobicContact CD1-CD2 4.26Å; L126-L153 HydrophobicContact CD1-CG 3.91Å; W129-L153 HydrophobicContact CE3-CD2 3.72Å; W129-L153 HydrophobicContact CZ3-CB 4.47Å; W129-L153 HydrophobicContact CZ3-CD2 3.73Å; N149-L153 PolarHBondContact O-N 3.47Å; D150-L153 PolarHBondContact O-N 2.91Å; L153-G155 PolarHBondContact O-N 2.95Å; L153-F156 PolarHBondContact O-N 3.5Å; L153-L157 WeakPolarHBondContact O-CB 3.35Å; L153-L157 VanDerWaalsContact O-CD1 3.3Å; L153-L157 WeakPolarHBondContact O-CD1 3.3Å; L153-L157 WeakPolarHBondContact O-CG 3.38Å; L153-L157 PolarHBondContact O-N 3.23Å
154	F	98.4	Very high	97.2	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-63.2	-41	179.4	-173.3	-116.3	0	0	0	112.7	I32 W34 I117 V119 D150 V152 L157 T158 A184	I32-F154 HydrophobicContact CG2-CE1 3.81Å; I32-F154 HydrophobicContact CG2-CZ 3.83Å; W34-F154 HydrophobicContact CE3-CB 4.34Å; W34-F154 AromaticContact CE3-CD1 3.92Å; W34-F154 HydrophobicContact CE3-CD1 3.92Å; W34-F154 HydrophobicContact CE3-CE1 4.41Å; W34-F154 HydrophobicContact CE3-CG 4.08Å; W34-F154 HydrophobicContact CZ3-CB 3.8Å; W34-F154 HydrophobicContact CZ3-CD1 4.22Å; W34-F154 HydrophobicContact CZ3-CD2 4.42Å; W34-F154 AromaticContact CZ3-CG 3.9Å; W34-F154 HydrophobicContact CZ3-CG 3.9Å; I117-F154 HydrophobicContact CB-CE2 4.5Å; I117-F154 HydrophobicContact CD1-CE2 4.2Å; V119-F154 HydrophobicContact CG2-CB 4.03Å; V119-F154 HydrophobicContact CG2-CD2 4Å; V119-F154 HydrophobicContact CG2-CG 4.46Å; D150-F154 VanDerWaalsContact O-CB 3.25Å; D150-F154 WeakPolarHBondContact O-CB 3.28Å; D150-F154 PolarHBondContact O-N 3.5Å; V152-F154 VanDerWaalsContact C-N 3.32Å; V152-F154 PolarHBondContact O-N 2.86Å; F154-L157 PolarHBondContact O-N 3.44Å; F154-T158 HydrophobicContact CD1-CG2 4.31Å; F154-T158 HydrophobicContact CD2-CG2 4.07Å; F154-T158 HydrophobicContact CE1-CG2 4.02Å; F154-T158 HydrophobicContact CE2-CG2 3.76Å; F154-T158 HydrophobicContact CG-CG2 4.33Å; F154-T158 HydrophobicContact CZ-CG2 3.73Å; F154-T158 WeakPolarHBondContact O-CB 3.36Å; F154-T158 WeakPolarHBondContact O-CG2 3.2Å; F154-T158 PolarHBondContact O-N 3.17Å; F154-T158 PolarHBondContact O-OG1 3.36Å; F154-A184 HydrophobicContact CE1-CB 4.06Å
155	G	98	Very high	97.4	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-60.6	-46.7	174.3	0	0	0	0	0	113	A151 V152 L153 L157 T158 A159 G187	A151-G155 PolarHBondContact O-N 3.19Å; V152-G155 PolarHBondContact O-N 3.22Å; L153-G155 PolarHBondContact O-N 2.95Å; G155-L157 PolarHBondContact O-N 3.47Å; G155-T158 WeakPolarHBondContact CA-OG1 3.45Å; G155-T158 PolarHBondContact O-N 3.26Å; G155-T158 PolarHBondContact O-OG1 2.85Å; G155-A159 WeakPolarHBondContact O-CB 3.32Å; G155-A159 PolarHBondContact O-N 3.47Å; G155-G187 WeakPolarHBondContact O-CA 3.24Å
156	F	98.4	Very high	97.4	Very high	2 Å²	2	22 Å²	22	1%	0.009	10%	0.101	C	C	.	.	H	α-helix	trans	-64.3	-40.8	177.4	-87.4	-93.4	0	0	0	112.7	W129 E132 L133 V152 L153 W160 L186 L190	W129-F156 HydrophobicContact CB-CD1 4.05Å; W129-F156 HydrophobicContact CB-CD2 3.73Å; W129-F156 HydrophobicContact CB-CE1 4Å; W129-F156 HydrophobicContact CB-CE2 3.68Å; W129-F156 HydrophobicContact CB-CG 3.92Å; W129-F156 HydrophobicContact CB-CZ 3.82Å; W129-F156 AromaticContact CD1-CD1 3.46Å; W129-F156 VanDerWaalsContact CD1-CD1 3.46Å; W129-F156 AromaticContact CD1-CE1 3.59Å; W129-F156 HydrophobicContact CD2-CB 3.54Å; W129-F156 AromaticContact CD2-CD1 3.74Å; W129-F156 HydrophobicContact CD2-CD1 3.74Å; W129-F156 HydrophobicContact CD2-CD2 4.18Å; W129-F156 HydrophobicContact CD2-CE1 4.48Å; W129-F156 AromaticContact CD2-CG 3.55Å; W129-F156 HydrophobicContact CD2-CG 3.55Å; W129-F156 AromaticContact CE2-CD1 3.87Å; W129-F156 HydrophobicContact CE3-CB 3.36Å; W129-F156 HydrophobicContact CE3-CD1 4.41Å; W129-F156 HydrophobicContact CE3-CD2 4.25Å; W129-F156 AromaticContact CE3-CG 3.78Å; W129-F156 HydrophobicContact CE3-CG 3.78Å; W129-F156 HydrophobicContact CG-CB 4.17Å; W129-F156 AromaticContact CG-CD1 3.53Å; W129-F156 HydrophobicContact CG-CD1 3.53Å; W129-F156 AromaticContact CG-CD2 3.98Å; W129-F156 HydrophobicContact CG-CD2 3.98Å; W129-F156 AromaticContact CG-CE1 3.81Å; W129-F156 HydrophobicContact CG-CE1 3.81Å; W129-F156 HydrophobicContact CG-CE2 4.23Å; W129-F156 AromaticContact CG-CG 3.62Å; W129-F156 HydrophobicContact CG-CG 3.62Å; W129-F156 HydrophobicContact CG-CZ 4.15Å; W129-F156 HydrophobicContact CH2-CB 3.96Å; W129-F156 HydrophobicContact CZ2-CB 4.08Å; W129-F156 HydrophobicContact CZ3-CB 3.59Å; W129-F156 HydrophobicContact CZ3-CG 4.47Å; W129-F156 AromaticContact NE1-CD1 3.66Å; W129-F156 WeakPolarHBondContact O-CE2 3.43Å; W129-F156 VanDerWaalsContact O-CZ 3.28Å; W129-F156 WeakPolarHBondContact O-CZ 3.4Å; E132-F156 HydrophobicContact CB-CE1 4.33Å; E132-F156 HydrophobicContact CB-CZ 4.14Å; E132-F156 HydrophobicContact CG-CE1 4.21Å; E132-F156 HydrophobicContact CG-CZ 4.31Å; L133-F156 HydrophobicContact CB-CE2 4.29Å; L133-F156 HydrophobicContact CB-CZ 4.45Å; V152-F156 HydrophobicContact CG1-CD2 3.92Å; V152-F156 HydrophobicContact CG1-CE2 4Å; V152-F156 WeakPolarHBondContact O-CD2 3.32Å; V152-F156 PolarHBondContact O-N 3.34Å; L153-F156 PolarHBondContact O-N 3.5Å; F156-W160 WeakPolarHBondContact O-CB 3.46Å; F156-W160 PolarHBondContact O-N 2.97Å; F156-L186 HydrophobicContact CD2-CD2 3.98Å; F156-L186 HydrophobicContact CE2-CD2 4.03Å; F156-L190 HydrophobicContact CB-CD1 4.23Å; F156-L190 HydrophobicContact CD1-CD1 3.77Å; F156-L190 HydrophobicContact CD2-CD1 3.64Å; F156-L190 HydrophobicContact CE1-CD1 3.97Å; F156-L190 HydrophobicContact CE1-CD2 4.17Å; F156-L190 HydrophobicContact CE2-CD1 3.86Å; F156-L190 HydrophobicContact CE2-CD2 4.44Å; F156-L190 HydrophobicContact CG-CD1 3.61Å; F156-L190 HydrophobicContact CZ-CD1 4.02Å; F156-L190 HydrophobicContact CZ-CD2 4.02Å
157	L	98.4	Very high	97.4	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-69.9	-39	179.2	-68.6	160.9	0	0	0	112.4	C99 I117 T122 W129 L153 F154 G155 W160 L161	C99-L157 HydrophobicContact CB-CD2 4.46Å; I117-L157 HydrophobicContact CD1-CB 4.15Å; I117-L157 HydrophobicContact CG2-CB 3.82Å; I117-L157 HydrophobicContact CG2-CD1 3.44Å; I117-L157 VanDerWaalsContact CG2-CD1 3.44Å; I117-L157 HydrophobicContact CG2-CD2 4.46Å; I117-L157 HydrophobicContact CG2-CG 4.09Å; T122-L157 HydrophobicContact CG2-CD1 4.34Å; T122-L157 HydrophobicContact CG2-CD2 4.02Å; T122-L157 WeakPolarHBondContact OG1-CD1 3.49Å; W129-L157 HydrophobicContact CH2-CD2 3.74Å; W129-L157 HydrophobicContact CH2-CG 3.85Å; W129-L157 HydrophobicContact CZ3-CD1 4.47Å; W129-L157 HydrophobicContact CZ3-CD2 4.32Å; W129-L157 HydrophobicContact CZ3-CG 3.96Å; L153-L157 WeakPolarHBondContact O-CB 3.35Å; L153-L157 VanDerWaalsContact O-CD1 3.3Å; L153-L157 WeakPolarHBondContact O-CD1 3.3Å; L153-L157 WeakPolarHBondContact O-CG 3.38Å; L153-L157 PolarHBondContact O-N 3.23Å; F154-L157 PolarHBondContact O-N 3.44Å; G155-L157 PolarHBondContact O-N 3.47Å; L157-W160 PolarHBondContact O-N 3.3Å; L157-L161 WeakPolarHBondContact O-CB 3.34Å; L157-L161 PolarHBondContact O-N 3.29Å
158	T	98.2	Very high	97.4	Very high	1 Å²	1	15 Å²	15	1%	0.006	9%	0.089	C	C	.	.	H	α-helix	trans	-68.1	-41.4	176.5	50	0	0	0	0	111.5	I32 V65 I117 F154 G155 W160 L161 L162	I32-T158 HydrophobicContact CG2-CG2 3.75Å; V65-T158 HydrophobicContact CG1-CG2 4.04Å; I117-T158 HydrophobicContact CD1-CG2 3.9Å; F154-T158 HydrophobicContact CD1-CG2 4.31Å; F154-T158 HydrophobicContact CD2-CG2 4.07Å; F154-T158 HydrophobicContact CE1-CG2 4.02Å; F154-T158 HydrophobicContact CE2-CG2 3.76Å; F154-T158 HydrophobicContact CG-CG2 4.33Å; F154-T158 HydrophobicContact CZ-CG2 3.73Å; F154-T158 WeakPolarHBondContact O-CB 3.36Å; F154-T158 WeakPolarHBondContact O-CG2 3.2Å; F154-T158 PolarHBondContact O-N 3.17Å; F154-T158 PolarHBondContact O-OG1 3.36Å; G155-T158 WeakPolarHBondContact CA-OG1 3.45Å; G155-T158 PolarHBondContact O-N 3.26Å; G155-T158 PolarHBondContact O-OG1 2.85Å; T158-W160 VanDerWaalsContact C-N 3.33Å; T158-W160 PolarHBondContact O-N 3.18Å; T158-L161 PolarHBondContact O-N 2.95Å; T158-L162 WeakPolarHBondContact O-CG 3.4Å; T158-L162 PolarHBondContact O-N 3.39Å
159	A	98.3	Very high	97.1	Very high	1 Å²	1	15.7 Å²	15.7	1%	0.008	9%	0.094	C	C	.	.	H	α-helix	trans	-64.1	-37.9	172.8	0	0	0	0	0	112.4	G155 G163 L190	G155-A159 WeakPolarHBondContact O-CB 3.32Å; G155-A159 PolarHBondContact O-N 3.47Å; A159-G163 PolarHBondContact O-N 3.45Å; A159-L190 HydrophobicContact CB-CB 3.68Å; A159-L190 HydrophobicContact CB-CD1 4.2Å
160	W	98.1	Very high	96.5	Very high	63 Å²	63	23.7 Å²	23.7	24%	0.239	13%	0.131	C	C	.	.	H	α-helix	trans	-65.4	-45.9	173.7	-172.4	-1.4	0	0	0	111	M94 C99 W129 F156 L157 T158 L162 G163 E164	M94-W160 HydrophobicContact CE-CB 3.82Å; M94-W160 HydrophobicContact CE-CD2 3.87Å; M94-W160 HydrophobicContact CE-CE3 4.25Å; M94-W160 HydrophobicContact CE-CG 3.68Å; C99-W160 VanDerWaalsContact SG-CZ3 3.5Å; W129-W160 HydrophobicContact CZ2-CE3 4.36Å; W129-W160 HydrophobicContact CZ2-CZ3 4.43Å; F156-W160 WeakPolarHBondContact O-CB 3.46Å; F156-W160 PolarHBondContact O-N 2.97Å; L157-W160 PolarHBondContact O-N 3.3Å; T158-W160 VanDerWaalsContact C-N 3.33Å; T158-W160 PolarHBondContact O-N 3.18Å; W160-L162 VanDerWaalsContact C-N 3.33Å; W160-L162 PolarHBondContact O-N 2.95Å; W160-G163 PolarHBondContact O-N 3.08Å; W160-E164 PolarHBondContact NE1-OE2 3.06Å; W160-E164 VanDerWaalsContact O-CB 3.23Å; W160-E164 WeakPolarHBondContact O-CB 3.41Å; W160-E164 PolarHBondContact O-N 3.42Å
161	L	98.4	Very high	95.9	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-53.7	-49.1	176.2	178.5	71.4	0	0	0	111.9	V65 T90 M94 V115 L157 T158 Y165	V65-L161 HydrophobicContact CG1-CD2 3.98Å; V65-L161 HydrophobicContact CG2-CD2 4.12Å; T90-L161 HydrophobicContact CG2-CD1 3.83Å; M94-L161 HydrophobicContact CE-CB 4.24Å; M94-L161 VanDerWaalsContact SD-CA 3.56Å; M94-L161 HydrophobicContact SD-CB 3.96Å; M94-L161 HydrophobicContact SD-CD1 3.82Å; V115-L161 HydrophobicContact CB-CD2 4.49Å; V115-L161 HydrophobicContact CG1-CD1 4.34Å; V115-L161 HydrophobicContact CG1-CD2 3.92Å; L157-L161 WeakPolarHBondContact O-CB 3.34Å; L157-L161 PolarHBondContact O-N 3.29Å; T158-L161 PolarHBondContact O-N 2.95Å; L161-Y165 VanDerWaalsContact O-CB 3.3Å; L161-Y165 WeakPolarHBondContact O-CB 3.42Å; L161-Y165 PolarHBondContact O-N 2.81Å
162	L	98.1	Very high	95	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-66.4	-43.5	-179.2	-65.5	169.8	0	0	0	112.2	F30 T158 W160 Y165 A166 I175 A177 F179 V198	F30-L162 HydrophobicContact CB-CD2 3.85Å; F30-L162 HydrophobicContact CD1-CD2 4.18Å; F30-L162 HydrophobicContact CD2-CD2 3.56Å; F30-L162 HydrophobicContact CE2-CD2 4.12Å; F30-L162 HydrophobicContact CG-CD2 3.59Å; T158-L162 WeakPolarHBondContact O-CG 3.4Å; T158-L162 PolarHBondContact O-N 3.39Å; W160-L162 VanDerWaalsContact C-N 3.33Å; W160-L162 PolarHBondContact O-N 2.95Å; L162-Y165 PolarHBondContact O-N 3.44Å; L162-A166 PolarHBondContact O-N 3.28Å; L162-A166 VanDerWaalsContact O-N 3.09Å; L162-I175 HydrophobicContact CD2-CG2 4.08Å; L162-A177 HydrophobicContact CD1-CB 3.7Å; L162-A177 HydrophobicContact CD2-CB 4.28Å; L162-F179 HydrophobicContact CD1-CE2 4.46Å; L162-F179 HydrophobicContact CD1-CZ 3.84Å; L162-V198 HydrophobicContact CB-CG2 4.42Å
163	G	97.1	Very high	94.6	Very high	18 Å²	18	34.1 Å²	34.1	19%	0.186	19%	0.192	C	C	.	.	H	α-helix	trans	-67	-39.1	177.7	0	0	0	0	0	113.1	A159 W160 A166 A167	A159-G163 PolarHBondContact O-N 3.45Å; W160-G163 PolarHBondContact O-N 3.08Å; G163-A166 PolarHBondContact O-N 3.27Å; G163-A167 WeakPolarHBondContact O-CB 3.17Å; G163-A167 PolarHBondContact O-N 3.43Å
164	E	97.3	Very high	94.3	Very high	29 Å²	29	35.7 Å²	35.7	14%	0.136	20%	0.199	C	C	.	.	H	α-helix	trans	-69.4	-39.4	176.4	-171.5	70.2	-134.6	0	0	110.9	T90 K93 M94 W160 A166 A167 Q168	T90-E164 HydrophobicContact CG2-CB 3.82Å; T90-E164 HydrophobicContact CG2-CG 3.78Å; K93-E164 HydrophobicContact CB-CG 4.44Å; K93-E164 HydrophobicContact CG-CG 4.35Å; K93-E164 WeakPolarHBondContact CG-OE1 3.31Å; M94-E164 HydrophobicContact CG-CG 4.33Å; W160-E164 PolarHBondContact NE1-OE2 3.06Å; W160-E164 VanDerWaalsContact O-CB 3.23Å; W160-E164 WeakPolarHBondContact O-CB 3.41Å; W160-E164 PolarHBondContact O-N 3.42Å; E164-A166 VanDerWaalsContact C-N 3.33Å; E164-A166 PolarHBondContact O-N 3.11Å; E164-A167 PolarHBondContact O-N 2.92Å; E164-A167 VanDerWaalsContact O-N 3.13Å; E164-Q168 HydrophobicContact CG-CG 4.23Å; E164-Q168 WeakPolarHBondContact O-CB 3.46Å; E164-Q168 VanDerWaalsContact O-CG 3.24Å; E164-Q168 WeakPolarHBondContact O-CG 3.45Å; E164-Q168 PolarHBondContact O-N 3.45Å; E164-Q168 PolarHBondContact OE1-NE2 2.73Å
165	Y	96.8	Very high	94.2	Very high	4 Å²	4	35.7 Å²	35.7	2%	0.016	20%	0.199	C	C	.	.	H	α-helix	trans	-59.1	-44.7	174	-174.1	-91.1	0	0	0	111.9	V28 F30 N84 V86 L87 T90 L161 L162 A167 Q168 S169 P173 I175	V28-Y165 HydrophobicContact CG1-CE1 4.4Å; V28-Y165 HydrophobicContact CG2-CE1 4.48Å; F30-Y165 HydrophobicContact CE2-CD1 4.06Å; F30-Y165 HydrophobicContact CE2-CE1 4.18Å; F30-Y165 HydrophobicContact CE2-CG 4.33Å; F30-Y165 HydrophobicContact CZ-CD1 4.1Å; F30-Y165 AromaticContact CZ-CD2 3.96Å; F30-Y165 HydrophobicContact CZ-CD2 3.96Å; F30-Y165 HydrophobicContact CZ-CE1 4.27Å; F30-Y165 HydrophobicContact CZ-CE2 4.13Å; F30-Y165 AromaticContact CZ-CG 3.95Å; F30-Y165 HydrophobicContact CZ-CG 3.95Å; N84-Y165 PolarHBondContact ND2-OH 3.34Å; V86-Y165 HydrophobicContact CB-CD2 4.47Å; V86-Y165 HydrophobicContact CB-CE2 3.94Å; V86-Y165 HydrophobicContact CG1-CD1 4.47Å; V86-Y165 HydrophobicContact CG1-CD2 3.73Å; V86-Y165 HydrophobicContact CG1-CE1 4.38Å; V86-Y165 HydrophobicContact CG1-CE2 3.62Å; V86-Y165 HydrophobicContact CG1-CG 4.17Å; V86-Y165 WeakPolarHBondContact CG1-O 3.34Å; L87-Y165 HydrophobicContact CB-CD2 4.4Å; L87-Y165 HydrophobicContact CB-CE2 4.04Å; L87-Y165 HydrophobicContact CD1-CD2 4.09Å; L87-Y165 HydrophobicContact CD1-CE2 4.35Å; T90-Y165 WeakPolarHBondContact OG1-CA 3.37Å; L161-Y165 VanDerWaalsContact O-CB 3.3Å; L161-Y165 WeakPolarHBondContact O-CB 3.42Å; L161-Y165 PolarHBondContact O-N 2.81Å; L162-Y165 PolarHBondContact O-N 3.44Å; Y165-A167 VanDerWaalsContact C-N 3.34Å; Y165-A167 PolarHBondContact O-N 3.4Å; Y165-Q168 PolarHBondContact O-N 2.98Å; Y165-S169 PolarHBondContact O-N 3.42Å; Y165-S169 PolarHBondContact O-OG 2.81Å; Y165-P173 HydrophobicContact CE1-CG 4.06Å; Y165-I175 HydrophobicContact CD1-CD1 3.87Å; Y165-I175 HydrophobicContact CD1-CG1 4.42Å
166	A	95	Very high	94.2	Very high	12 Å²	12	35.7 Å²	35.7	10%	0.099	20%	0.199	C	C	.	.	H	α-helix	trans	-60.5	-43.3	173.8	0	0	0	0	0	111.7	L162 G163 E164 Q168 S169 I175 P197	L162-A166 PolarHBondContact O-N 3.28Å; L162-A166 VanDerWaalsContact O-N 3.09Å; G163-A166 PolarHBondContact O-N 3.27Å; E164-A166 VanDerWaalsContact C-N 3.33Å; E164-A166 PolarHBondContact O-N 3.11Å; A166-Q168 PolarHBondContact O-N 3.21Å; A166-S169 PolarHBondContact O-N 2.89Å; A166-I175 HydrophobicContact CB-CD1 3.81Å; A166-P197 HydrophobicContact CB-CG 4.2Å
167	A	95.2	Very high	94.2	Very high	73 Å²	73	35.6 Å²	35.6	60%	0.603	20%	0.199	S	C	*	.	H	α-helix	trans	-71.1	-26.5	-179.1	0	0	0	0	0	114.3	G163 E164 Y165 S169	G163-A167 WeakPolarHBondContact O-CB 3.17Å; G163-A167 PolarHBondContact O-N 3.43Å; E164-A167 PolarHBondContact O-N 2.92Å; E164-A167 VanDerWaalsContact O-N 3.13Å; Y165-A167 VanDerWaalsContact C-N 3.34Å; Y165-A167 PolarHBondContact O-N 3.4Å; A167-S169 VanDerWaalsContact C-N 3.32Å
168	Q	94.6	Very high	94.3	Very high	50 Å²	50	35.6 Å²	35.6	23%	0.234	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-4.4	177.7	-66.7	-62.1	-29	0	0	113.3	V86 R89 E164 Y165 A166	V86-Q168 HydrophobicContact CG1-CB 3.95Å; R89-Q168 HydrophobicContact CB-CB 4.31Å; R89-Q168 HydrophobicContact CB-CG 4.16Å; R89-Q168 PolarHBondContact NH2-O 2.79Å; E164-Q168 HydrophobicContact CG-CG 4.23Å; E164-Q168 WeakPolarHBondContact O-CB 3.46Å; E164-Q168 VanDerWaalsContact O-CG 3.24Å; E164-Q168 WeakPolarHBondContact O-CG 3.45Å; E164-Q168 PolarHBondContact O-N 3.45Å; E164-Q168 PolarHBondContact OE1-NE2 2.73Å; Y165-Q168 PolarHBondContact O-N 2.98Å; A166-Q168 PolarHBondContact O-N 3.21Å
169	S	90.4	Very high	94.3	Very high	16 Å²	16	35.5 Å²	35.5	11%	0.112	20%	0.199	C	C	.	.			trans	-90.3	132.3	176.4	-56.6	0	0	0	0	110	V86 Y165 A166 A167	V86-S169 VanDerWaalsContact CG1-OG 3.28Å; V86-S169 WeakPolarHBondContact CG1-OG 3.44Å; Y165-S169 PolarHBondContact O-N 3.42Å; Y165-S169 PolarHBondContact O-OG 2.81Å; A166-S169 PolarHBondContact O-N 2.89Å; A167-S169 VanDerWaalsContact C-N 3.32Å
170	E	84.4	Confident	94.3	Very high	182 Å²	182	35.6 Å²	35.6	85%	0.85	20%	0.199	S	C	*	.	S	Bend	trans	-70.9	-50.4	176.3	-68.2	178.2	-172.5	0	0	110.3
171	D	84.7	Confident	94.3	Very high	154 Å²	154	33.5 Å²	33.5	82%	0.824	19%	0.192	S	C	*	.	S	Bend	trans	-111.5	102.4	164.8	-68.9	-46	0	0	0	107.6
172	P	80.1	Confident	94.2	Very high	76 Å²	76	34.1 Å²	34.1	49%	0.494	19%	0.194	S	C	.	.			trans	-66.6	124	-173.8	24.3	-31.5	0	0	0	110.8
173	P	87.8	Confident	94.2	Very high	30 Å²	30	35.1 Å²	35.1	20%	0.195	20%	0.199	C	C	.	.			trans	-66.2	164.1	174.5	30.1	-35.3	0	0	0	110	D26 V28 Y165 I175	D26-P173 WeakPolarHBondContact O-CB 3.4Å; V28-P173 HydrophobicContact CB-CG 4.47Å; V28-P173 HydrophobicContact CG2-CB 4.05Å; V28-P173 HydrophobicContact CG2-CG 3.78Å; Y165-P173 HydrophobicContact CE1-CG 4.06Å; P173-I175 WeakPolarHBondContact O-CG1 3.36Å; P173-I175 PolarHBondContact O-N 3.25Å
174	H	93.8	Very high	94.2	Very high	36 Å²	36	34.3 Å²	34.3	17%	0.167	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	105.6	172.4	-60.1	103.6	0	0	0	109.6	D26 A27 V28 L613 F617 Y621	D26-H174 PolarHBondContact O-N 3.05Å; D26-H174 PolarHBondContact O-ND1 3.41Å; A27-H174 WeakPolarHBondContact CA-O 2.98Å; A27-H174 HydrophobicContact CB-CB 4.46Å; V28-H174 PolarHBondContact N-O 2.95Å; H174-L613 HydrophobicContact CB-CD2 3.95Å; H174-F617 HydrophobicContact CB-CD2 4.17Å; H174-F617 HydrophobicContact CB-CE2 3.93Å; H174-F617 HydrophobicContact CB-CZ 4.5Å; H174-F617 AromaticContact CD2-CD1 3.84Å; H174-F617 AromaticContact CD2-CD2 3.62Å; H174-F617 AromaticContact CD2-CE2 3.94Å; H174-F617 AromaticContact CD2-CG 3.55Å; H174-Y621 HydrophobicContact CB-CE2 3.96Å; H174-Y621 AromaticContact CD2-CE2 3.73Å; H174-Y621 AromaticContact CE1-CE2 3.96Å; H174-Y621 AromaticContact CG-CE2 3.54Å; H174-Y621 AromaticContact CG-CZ 3.89Å; H174-Y621 AromaticContact ND1-CE2 3.72Å; H174-Y621 AromaticContact ND1-CZ 3.68Å; H174-Y621 PolarHBondContact ND1-OH 3.25Å; H174-Y621 AromaticContact NE2-CE2 3.97Å
175	I	96.3	Very high	94.2	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	123.8	-177.2	-54.1	176.6	0	0	0	109.7	F30 L162 Y165 A166 P173 V198 A199	F30-I175 HydrophobicContact CD2-CG2 3.77Å; F30-I175 HydrophobicContact CE2-CG2 4.04Å; L162-I175 HydrophobicContact CD2-CG2 4.08Å; Y165-I175 HydrophobicContact CD1-CD1 3.87Å; Y165-I175 HydrophobicContact CD1-CG1 4.42Å; A166-I175 HydrophobicContact CB-CD1 3.81Å; P173-I175 WeakPolarHBondContact O-CG1 3.36Å; P173-I175 PolarHBondContact O-N 3.25Å; I175-V198 HydrophobicContact CB-CG1 4.3Å; I175-V198 HydrophobicContact CB-CG2 4.13Å; I175-V198 HydrophobicContact CD1-CG2 4.34Å; I175-V198 HydrophobicContact CG2-CG1 3.93Å; I175-V198 HydrophobicContact CG2-CG2 4.14Å; I175-V198 CarbonylContact O-C 3.6Å; I175-V198 WeakPolarHBondContact O-CA 3.28Å; I175-A199 PolarHBondContact O-N 2.89Å
176	V	97.8	Very high	94.3	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	123.4	167.8	-173.9	0	0	0	0	108.9	V28 L29 F30 W58 A199 I201 R609 L613	V28-V176 PolarHBondContact O-N 3.41Å; L29-V176 WeakPolarHBondContact CA-O 3.41Å; L29-V176 HydrophobicContact CD1-CB 3.99Å; L29-V176 HydrophobicContact CD1-CG1 3.83Å; F30-V176 PolarHBondContact N-O 3.02Å; W58-V176 HydrophobicContact CH2-CG2 4.17Å; V176-A199 CarbonylContact C-O 3.6Å; V176-A199 WeakPolarHBondContact CA-O 3.45Å; V176-A199 HydrophobicContact CG2-CB 4.36Å; V176-I201 HydrophobicContact CG1-CD1 4.04Å; V176-R609 HydrophobicContact CG1-CG 4.32Å; V176-L613 HydrophobicContact CG2-CD1 4.03Å; V176-L613 HydrophobicContact CG2-CD2 3.43Å; V176-L613 VanDerWaalsContact CG2-CD2 3.43Å; V176-L613 HydrophobicContact CG2-CG 3.62Å
177	A	98.6	Very high	94.4	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	109.1	176.3	0	0	0	0	0	110.5	F30 I32 L162 F179 V198 A199 T200 I201	F30-A177 CarbonylContact O-C 3.5Å; F30-A177 VanDerWaalsContact O-CA 3.31Å; F30-A177 WeakPolarHBondContact O-CA 3.31Å; I32-A177 HydrophobicContact CD1-CB 3.91Å; L162-A177 HydrophobicContact CD1-CB 3.7Å; L162-A177 HydrophobicContact CD2-CB 4.28Å; A177-F179 HydrophobicContact CB-CD2 4.26Å; A177-F179 HydrophobicContact CB-CE2 3.48Å; A177-F179 VanDerWaalsContact CB-CE2 3.48Å; A177-F179 HydrophobicContact CB-CZ 4.11Å; A177-F179 WeakPolarHBondContact O-CD2 3.04Å; A177-V198 HydrophobicContact CB-CG1 3.48Å; A177-V198 VanDerWaalsContact CB-CG1 3.48Å; A177-A199 PolarHBondContact N-O 3.46Å; A177-T200 WeakPolarHBondContact O-CA 3.46Å; A177-I201 PolarHBondContact O-N 2.89Å
178	Q	98.8	Very high	94.5	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	115.6	179	-177.6	164.8	7.3	0	0	110.5	L29 F30 E31 I32 I201 T203 Y605	L29-Q178 HydrophobicContact CD1-CB 4.5Å; F30-Q178 PolarHBondContact O-N 3.15Å; E31-Q178 CarbonylContact C-O 3.59Å; E31-Q178 WeakPolarHBondContact CA-O 3.23Å; E31-Q178 HydrophobicContact CG-CB 4.48Å; I32-Q178 PolarHBondContact N-O 3.31Å; Q178-I201 HydrophobicContact CB-CB 4.19Å; Q178-I201 HydrophobicContact CB-CD1 4.32Å; Q178-I201 HydrophobicContact CG-CB 4.01Å; Q178-I201 HydrophobicContact CG-CD1 4.45Å; Q178-I201 HydrophobicContact CG-CG2 4.13Å; Q178-T203 PolarHBondContact NE2-OG1 3.49Å; Q178-Y605 VanDerWaalsContact NE2-CD1 3.28Å
179	F	98.8	Very high	94.7	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	129.8	-176.3	-64.8	-100.3	0	0	0	110.8	I32 L162 A177 A184 L188 T200 I201 F202 T203	I32-F179 HydrophobicContact CB-CD1 3.86Å; I32-F179 HydrophobicContact CB-CE1 4.12Å; I32-F179 HydrophobicContact CB-CG 4.43Å; I32-F179 HydrophobicContact CD1-CD1 4.11Å; I32-F179 HydrophobicContact CD1-CD2 4.21Å; I32-F179 HydrophobicContact CD1-CE1 3.83Å; I32-F179 HydrophobicContact CD1-CE2 3.96Å; I32-F179 HydrophobicContact CD1-CG 4.31Å; I32-F179 HydrophobicContact CD1-CZ 3.77Å; I32-F179 HydrophobicContact CG1-CD1 4.44Å; I32-F179 HydrophobicContact CG1-CE1 4.24Å; I32-F179 HydrophobicContact CG2-CD1 3.96Å; I32-F179 HydrophobicContact CG2-CE1 4.09Å; I32-F179 WeakPolarHBondContact O-CA 3.3Å; L162-F179 HydrophobicContact CD1-CE2 4.46Å; L162-F179 HydrophobicContact CD1-CZ 3.84Å; A177-F179 HydrophobicContact CB-CD2 4.26Å; A177-F179 HydrophobicContact CB-CE2 3.48Å; A177-F179 VanDerWaalsContact CB-CE2 3.48Å; A177-F179 HydrophobicContact CB-CZ 4.11Å; A177-F179 WeakPolarHBondContact O-CD2 3.04Å; F179-A184 HydrophobicContact CD1-CB 4.2Å; F179-A184 WeakPolarHBondContact CD1-O 3.2Å; F179-L188 HydrophobicContact CB-CD1 4.4Å; F179-L188 HydrophobicContact CD1-CB 4.3Å; F179-L188 HydrophobicContact CD2-CB 3.61Å; F179-L188 HydrophobicContact CD2-CD1 3.82Å; F179-L188 HydrophobicContact CD2-CG 4.19Å; F179-L188 HydrophobicContact CE1-CB 4.38Å; F179-L188 HydrophobicContact CE2-CB 3.68Å; F179-L188 HydrophobicContact CE2-CD1 4.44Å; F179-L188 HydrophobicContact CE2-CG 4.37Å; F179-L188 HydrophobicContact CG-CB 3.9Å; F179-L188 HydrophobicContact CG-CD1 4.36Å; F179-L188 HydrophobicContact CZ-CB 4.08Å; F179-T200 HydrophobicContact CE2-CG2 4.5Å; F179-I201 PolarHBondContact N-O 2.8Å; F179-F202 HydrophobicContact CB-CD2 4.4Å; F179-T203 PolarHBondContact O-N 3.28Å
180	H	98.6	Very high	95.1	Very high	2 Å²	2	25.8 Å²	25.8	1%	0.009	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	125.4	176.1	-65.5	-80.8	0	0	0	111.6	E31 I32 A33 I43 A184 H205 Y605	E31-H180 IonicContact OE1-CD2 2.92Å; E31-H180 IonicContact OE1-NE2 2.76Å; E31-H180 PolarHBondContact OE1-NE2 3.26Å; I32-H180 PolarHBondContact O-N 3.32Å; A33-H180 HydrophobicContact CB-CB 3.82Å; I43-H180 HydrophobicContact CG2-CB 4.19Å; H180-A184 WeakPolarHBondContact O-CB 3.26Å; H180-H205 AromaticContact CG-NE2 3.87Å; H180-H205 AromaticContact ND1-NE2 3.17Å; H180-H205 PolarHBondContact ND1-NE2 3.45Å; H180-H205 VanDerWaalsContact ND1-NE2 3.17Å; H180-Y605 AromaticContact CE1-CE1 3.99Å
181	E	97.8	Very high	95.7	Very high	20 Å²	20	17.1 Å²	17.1	9%	0.093	10%	0.095	C	C	.	.	H	α-helix	trans	62.5	161.2	179.1	-80.6	-58.2	153	0	0	116.9	I43 L183 A184 G185 T203 T204 H205 A206	I43-E181 HydrophobicContact CD1-CB 4.03Å; I43-E181 HydrophobicContact CD1-CG 3.26Å; E181-L183 PolarHBondContact O-N 3.19Å; E181-L183 VanDerWaalsContact O-N 3.13Å; E181-A184 PolarHBondContact O-N 3.1Å; E181-A184 VanDerWaalsContact O-N 3.07Å; E181-G185 PolarHBondContact O-N 2.67Å; E181-T203 PolarHBondContact N-O 3.35Å; E181-T204 PolarHBondContact OE1-OG1 2.95Å; E181-H205 HydrophobicContact CG-CB 4.46Å; E181-H205 WeakPolarHBondContact OE1-CA 3.4Å; E181-H205 WeakPolarHBondContact OE1-CB 3.15Å; E181-H205 PolarHBondContact OE1-N 3.06Å; E181-A206 PolarHBondContact OE1-N 2.71Å
182	W	97.4	Very high	96.3	Very high	14 Å²	14	14.6 Å²	14.6	5%	0.053	7%	0.073	C	C	.	.	H	α-helix	trans	-58.3	-27.8	-176.2	73	-87.3	0	0	0	113.9	E147 A151 A184 G185 L208 R241 L244 E245	E147-W182 HydrophobicContact CG-CH2 4.03Å; E147-W182 HydrophobicContact CG-CZ2 4.25Å; A151-W182 HydrophobicContact CB-CZ3 4.2Å; W182-A184 VanDerWaalsContact C-N 3.27Å; W182-A184 PolarHBondContact O-N 2.45Å; W182-G185 PolarHBondContact O-N 3.07Å; W182-L208 HydrophobicContact CD2-CD1 4.15Å; W182-L208 HydrophobicContact CG-CD1 3.94Å; W182-L208 HydrophobicContact CG-CG 4.45Å; W182-R241 HydrophobicContact CE3-CB 4.32Å; W182-R241 HydrophobicContact CH2-CB 4.18Å; W182-R241 HydrophobicContact CH2-CG 3.77Å; W182-R241 HydrophobicContact CZ2-CB 4.47Å; W182-R241 HydrophobicContact CZ2-CG 4.33Å; W182-R241 HydrophobicContact CZ3-CB 4.1Å; W182-R241 HydrophobicContact CZ3-CG 3.97Å; W182-L244 HydrophobicContact CE3-CB 4.34Å; W182-L244 HydrophobicContact CE3-CD1 4.14Å; W182-L244 HydrophobicContact CZ3-CD1 4.1Å; W182-E245 HydrophobicContact CB-CB 3.64Å; W182-E245 HydrophobicContact CB-CG 4.09Å; W182-E245 HydrophobicContact CG-CB 4.48Å
183	L	97.1	Very high	97	Very high	22 Å²	22	15.5 Å²	15.5	12%	0.115	7%	0.071	C	C	.	.	H	α-helix	trans	-61.1	-33.6	176.9	-70.8	172.2	0	0	0	112.8	W34 E147 A151 E181	W34-L183 HydrophobicContact CB-CB 3.93Å; W34-L183 HydrophobicContact CB-CD1 3.93Å; W34-L183 HydrophobicContact CG-CB 4.31Å; W34-L183 HydrophobicContact CG-CD1 3.86Å; E147-L183 HydrophobicContact CG-CD2 3.63Å; A151-L183 HydrophobicContact CB-CD2 4.09Å; E181-L183 PolarHBondContact O-N 3.19Å; E181-L183 VanDerWaalsContact O-N 3.13Å
184	A	97.6	Very high	97.4	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-96.2	-19.6	174.4	0	0	0	0	0	112.3	I32 F154 F179 H180 E181 W182 L186 G187	I32-A184 HydrophobicContact CG2-CB 4.13Å; F154-A184 HydrophobicContact CE1-CB 4.06Å; F179-A184 HydrophobicContact CD1-CB 4.2Å; F179-A184 WeakPolarHBondContact CD1-O 3.2Å; H180-A184 WeakPolarHBondContact O-CB 3.26Å; E181-A184 PolarHBondContact O-N 3.1Å; E181-A184 VanDerWaalsContact O-N 3.07Å; W182-A184 VanDerWaalsContact C-N 3.27Å; W182-A184 PolarHBondContact O-N 2.45Å; A184-L186 PolarHBondContact O-N 3.49Å; A184-L186 VanDerWaalsContact O-N 3.08Å; A184-G187 PolarHBondContact O-N 3.37Å
185	G	97.1	Very high	97.5	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-59.2	-24.2	-169.5	0	0	0	0	0	115.9	E181 W182 G187 L188 V189	E181-G185 PolarHBondContact O-N 2.67Å; W182-G185 PolarHBondContact O-N 3.07Å; G185-G187 VanDerWaalsContact C-N 3.29Å; G185-G187 PolarHBondContact O-N 2.99Å; G185-L188 WeakPolarHBondContact O-CB 3.45Å; G185-L188 PolarHBondContact O-N 2.84Å; G185-V189 PolarHBondContact O-N 3.47Å
186	L	98.1	Very high	97.4	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.01	12%	0.121	C	C	.	.	H	α-helix	trans	-64.4	-34.3	178.8	179.5	64	0	0	0	112.6	L133 V152 F156 A184 L188 V189 L190 L244	L133-L186 HydrophobicContact CD1-CD1 3.5Å; L133-L186 HydrophobicContact CD1-CD2 4.45Å; L133-L186 HydrophobicContact CD2-CD2 4.3Å; V152-L186 HydrophobicContact CB-CD2 4.24Å; V152-L186 HydrophobicContact CG1-CD2 4.3Å; V152-L186 HydrophobicContact CG2-CD2 4.18Å; F156-L186 HydrophobicContact CD2-CD2 3.98Å; F156-L186 HydrophobicContact CE2-CD2 4.03Å; A184-L186 PolarHBondContact O-N 3.49Å; A184-L186 VanDerWaalsContact O-N 3.08Å; L186-L188 PolarHBondContact O-N 3.04Å; L186-V189 HydrophobicContact CD1-CB 4.32Å; L186-V189 PolarHBondContact O-N 3.44Å; L186-V189 VanDerWaalsContact O-N 3.15Å; L186-L190 HydrophobicContact CD1-CG 4.23Å; L186-L190 HydrophobicContact CD2-CD1 4.48Å; L186-L190 HydrophobicContact CG-CD1 4.09Å; L186-L190 HydrophobicContact CG-CG 4.29Å; L186-L190 WeakPolarHBondContact O-CG 3.38Å; L186-L190 PolarHBondContact O-N 2.89Å; L186-L244 HydrophobicContact CB-CD2 4.41Å; L186-L244 HydrophobicContact CD1-CD2 4.11Å
187	G	97.9	Very high	97.2	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-59.2	-39.4	177.9	0	0	0	0	0	111.9	G155 A184 G185 L190 C191	G155-G187 WeakPolarHBondContact O-CA 3.24Å; A184-G187 PolarHBondContact O-N 3.37Å; G185-G187 VanDerWaalsContact C-N 3.29Å; G185-G187 PolarHBondContact O-N 2.99Å; G187-L190 PolarHBondContact O-N 2.76Å; G187-C191 PolarHBondContact O-N 2.95Å; G187-C191 PolarHBondContact O-SG 2.76Å
188	L	97.8	Very high	97.2	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-62.7	-46.3	174.3	177.9	156.6	0	0	0	112.5	F179 G185 L186 L190 C191 R192 T200 F202 A248 C251 A252	F179-L188 HydrophobicContact CB-CD1 4.4Å; F179-L188 HydrophobicContact CD1-CB 4.3Å; F179-L188 HydrophobicContact CD2-CB 3.61Å; F179-L188 HydrophobicContact CD2-CD1 3.82Å; F179-L188 HydrophobicContact CD2-CG 4.19Å; F179-L188 HydrophobicContact CE1-CB 4.38Å; F179-L188 HydrophobicContact CE2-CB 3.68Å; F179-L188 HydrophobicContact CE2-CD1 4.44Å; F179-L188 HydrophobicContact CE2-CG 4.37Å; F179-L188 HydrophobicContact CG-CB 3.9Å; F179-L188 HydrophobicContact CG-CD1 4.36Å; F179-L188 HydrophobicContact CZ-CB 4.08Å; G185-L188 WeakPolarHBondContact O-CB 3.45Å; G185-L188 PolarHBondContact O-N 2.84Å; L186-L188 PolarHBondContact O-N 3.04Å; L188-L190 VanDerWaalsContact C-N 3.28Å; L188-L190 PolarHBondContact O-N 2.92Å; L188-C191 WeakPolarHBondContact O-CB 3.27Å; L188-C191 PolarHBondContact O-N 3.04Å; L188-R192 PolarHBondContact O-N 3.47Å; L188-R192 VanDerWaalsContact O-N 3.15Å; L188-T200 HydrophobicContact CG-CG2 4.18Å; L188-F202 HydrophobicContact CD1-CB 3.79Å; L188-A248 WeakPolarHBondContact CD2-O 3.48Å; L188-C251 HydrophobicContact CD2-CB 3.58Å; L188-A252 HydrophobicContact CD1-CB 3.85Å; L188-A252 HydrophobicContact CD2-CB 4.31Å
189	V	98.1	Very high	97.1	Very high	3 Å²	3	30.8 Å²	30.8	2%	0.018	14%	0.143	C	C	.	.	H	α-helix	trans	-58.7	-44.9	178.8	176.9	0	0	0	0	110.1	G185 L186 R192 Q193 A247 A248 C251	G185-V189 PolarHBondContact O-N 3.47Å; L186-V189 HydrophobicContact CD1-CB 4.32Å; L186-V189 PolarHBondContact O-N 3.44Å; L186-V189 VanDerWaalsContact O-N 3.15Å; V189-R192 PolarHBondContact O-N 3Å; V189-Q193 HydrophobicContact CG1-CG 4.43Å; V189-Q193 WeakPolarHBondContact O-CG 3.36Å; V189-Q193 PolarHBondContact O-N 3.16Å; V189-A247 HydrophobicContact CG2-CB 3.9Å; V189-A248 HydrophobicContact CG2-CB 4.34Å; V189-C251 HydrophobicContact CG2-CB 4.19Å
190	L	98.2	Very high	97.1	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-66.6	-38.9	178.3	-67.3	173.1	0	0	0	112.6	L136 F156 A159 L186 G187 L188 R192 Q193 R194	L136-L190 HydrophobicContact CD1-CD2 3.99Å; F156-L190 HydrophobicContact CB-CD1 4.23Å; F156-L190 HydrophobicContact CD1-CD1 3.77Å; F156-L190 HydrophobicContact CD2-CD1 3.64Å; F156-L190 HydrophobicContact CE1-CD1 3.97Å; F156-L190 HydrophobicContact CE1-CD2 4.17Å; F156-L190 HydrophobicContact CE2-CD1 3.86Å; F156-L190 HydrophobicContact CE2-CD2 4.44Å; F156-L190 HydrophobicContact CG-CD1 3.61Å; F156-L190 HydrophobicContact CZ-CD1 4.02Å; F156-L190 HydrophobicContact CZ-CD2 4.02Å; A159-L190 HydrophobicContact CB-CB 3.68Å; A159-L190 HydrophobicContact CB-CD1 4.2Å; L186-L190 HydrophobicContact CD1-CG 4.23Å; L186-L190 HydrophobicContact CD2-CD1 4.48Å; L186-L190 HydrophobicContact CG-CD1 4.09Å; L186-L190 HydrophobicContact CG-CG 4.29Å; L186-L190 WeakPolarHBondContact O-CG 3.38Å; L186-L190 PolarHBondContact O-N 2.89Å; G187-L190 PolarHBondContact O-N 2.76Å; L188-L190 VanDerWaalsContact C-N 3.28Å; L188-L190 PolarHBondContact O-N 2.92Å; L190-R192 PolarHBondContact O-N 3.29Å; L190-Q193 PolarHBondContact O-N 2.79Å; L190-R194 VanDerWaalsContact O-CB 3.3Å; L190-R194 WeakPolarHBondContact O-CB 3.32Å; L190-R194 WeakPolarHBondContact O-CG 3.39Å; L190-R194 PolarHBondContact O-N 3.18Å
191	C	97.8	Very high	97.1	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.007	14%	0.143	C	C	.	.	H	α-helix	trans	-56.8	-41.3	174.4	-68.7	0	0	0	0	111.4	G187 L188 Q195 L196 T200	G187-C191 PolarHBondContact O-N 2.95Å; G187-C191 PolarHBondContact O-SG 2.76Å; L188-C191 WeakPolarHBondContact O-CB 3.27Å; L188-C191 PolarHBondContact O-N 3.04Å; C191-Q195 PolarHBondContact O-N 3.09Å; C191-L196 HydrophobicContact CB-CB 4.47Å; C191-L196 HydrophobicContact CB-CD1 4.26Å; C191-L196 PolarHBondContact O-N 2.67Å; C191-T200 HydrophobicContact CB-CG2 4.28Å
192	R	96.4	Very high	97.1	Very high	101 Å²	101	29.7 Å²	29.7	38%	0.381	14%	0.138	S	C	.	.	H	α-helix	trans	-72.6	-45.1	178.5	-67.5	-68.2	-49.8	-100.5	9.1	113	L188 V189 L190 R194 Q195 C251	L188-R192 PolarHBondContact O-N 3.47Å; L188-R192 VanDerWaalsContact O-N 3.15Å; V189-R192 PolarHBondContact O-N 3Å; L190-R192 PolarHBondContact O-N 3.29Å; R192-R194 VanDerWaalsContact C-N 3.28Å; R192-R194 PolarHBondContact O-N 3.41Å; R192-Q195 PolarHBondContact O-N 3.3Å; R192-Q195 VanDerWaalsContact O-N 3.16Å; R192-C251 HydrophobicContact CB-CB 4.37Å; R192-C251 WeakPolarHBondContact CD-O 3.35Å; R192-C251 HydrophobicContact CG-CB 4.16Å; R192-C251 WeakPolarHBondContact CG-O 3.49Å; R192-C251 PolarHBondContact NH1-O 2.91Å
193	Q	95.6	Very high	97.2	Very high	95 Å²	95	29 Å²	29	44%	0.444	14%	0.136	S	C	.	.	H	α-helix	trans	-62.4	-37.7	178.5	-76.7	-66.8	-4.6	0	0	112.1	V189 L190 Q195	V189-Q193 HydrophobicContact CG1-CG 4.43Å; V189-Q193 WeakPolarHBondContact O-CG 3.36Å; V189-Q193 PolarHBondContact O-N 3.16Å; L190-Q193 PolarHBondContact O-N 2.79Å; Q193-Q195 VanDerWaalsContact C-N 3.3Å
194	R	95.6	Very high	97.2	Very high	95 Å²	95	28 Å²	28	36%	0.358	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	2	178.2	-63.6	177.4	178.1	176.9	-1	113.8	E132 L190 R192 L196	E132-R194 IonicContact OE1-CZ 3.86Å; E132-R194 IonicContact OE1-NE 3.97Å; E132-R194 IonicContact OE1-NH2 3.3Å; E132-R194 PolarHBondContact OE1-NH2 3.28Å; E132-R194 IonicContact OE2-NH2 3.69Å; L190-R194 VanDerWaalsContact O-CB 3.3Å; L190-R194 WeakPolarHBondContact O-CB 3.32Å; L190-R194 WeakPolarHBondContact O-CG 3.39Å; L190-R194 PolarHBondContact O-N 3.18Å; R192-R194 VanDerWaalsContact C-N 3.28Å; R192-R194 PolarHBondContact O-N 3.41Å; R194-L196 VanDerWaalsContact C-N 3.25Å; R194-L196 HydrophobicContact CB-CD2 4.2Å; R194-L196 HydrophobicContact CB-CG 4.16Å; R194-L196 PolarHBondContact O-N 2.8Å
195	Q	95.4	Very high	97.2	Very high	176 Å²	176	28.8 Å²	28.8	82%	0.822	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.4	41.8	-179.7	-58.1	-179.4	-21	0	0	113	C191 R192 Q193	C191-Q195 PolarHBondContact O-N 3.09Å; R192-Q195 PolarHBondContact O-N 3.3Å; R192-Q195 VanDerWaalsContact O-N 3.16Å; Q193-Q195 VanDerWaalsContact C-N 3.3Å
196	L	95.6	Very high	97.1	Very high	42 Å²	42	29.4 Å²	29.4	22%	0.22	14%	0.139	C	C	.	.			trans	-67.2	143.8	174.9	-57.7	-174.9	0	0	0	109.8	C191 R194 V198	C191-L196 HydrophobicContact CB-CB 4.47Å; C191-L196 HydrophobicContact CB-CD1 4.26Å; C191-L196 PolarHBondContact O-N 2.67Å; R194-L196 VanDerWaalsContact C-N 3.25Å; R194-L196 HydrophobicContact CB-CD2 4.2Å; R194-L196 HydrophobicContact CB-CG 4.16Å; R194-L196 PolarHBondContact O-N 2.8Å; L196-V198 HydrophobicContact CB-CG2 3.98Å; L196-V198 PolarHBondContact O-N 3.14Å
197	P	93.7	Very high	97	Very high	69 Å²	69	29.3 Å²	29.3	45%	0.448	14%	0.139	S	C	.	.	S	Bend	trans	-75.5	67.2	178.9	33	-36.3	0	0	0	110.8	A166 F617	A166-P197 HydrophobicContact CB-CG 4.2Å; P197-F617 HydrophobicContact CB-CE1 4.46Å
198	V	96.7	Very high	96.9	Very high	4 Å²	4	30.1 Å²	30.1	2%	0.024	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	124.9	-173.5	-178	0	0	0	0	109.9	L162 I175 A177 L196 T200 H253	L162-V198 HydrophobicContact CB-CG2 4.42Å; I175-V198 HydrophobicContact CB-CG1 4.3Å; I175-V198 HydrophobicContact CB-CG2 4.13Å; I175-V198 HydrophobicContact CD1-CG2 4.34Å; I175-V198 HydrophobicContact CG2-CG1 3.93Å; I175-V198 HydrophobicContact CG2-CG2 4.14Å; I175-V198 CarbonylContact O-C 3.6Å; I175-V198 WeakPolarHBondContact O-CA 3.28Å; A177-V198 HydrophobicContact CB-CG1 3.48Å; A177-V198 VanDerWaalsContact CB-CG1 3.48Å; L196-V198 HydrophobicContact CB-CG2 3.98Å; L196-V198 PolarHBondContact O-N 3.14Å; V198-T200 HydrophobicContact CG1-CG2 4.08Å; V198-H253 PolarHBondContact O-CE1 2.92Å; V198-H253 VanDerWaalsContact O-CE1 3.31Å
199	A	97.5	Very high	96.7	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	124.3	167.5	0	0	0	0	0	109.4	I175 V176 A177 A612 L613 A616 F617	I175-A199 PolarHBondContact O-N 2.89Å; V176-A199 CarbonylContact C-O 3.6Å; V176-A199 WeakPolarHBondContact CA-O 3.45Å; V176-A199 HydrophobicContact CG2-CB 4.36Å; A177-A199 PolarHBondContact N-O 3.46Å; A199-A612 HydrophobicContact CB-CB 4.15Å; A199-A612 WeakPolarHBondContact CB-O 3.32Å; A199-L613 HydrophobicContact CB-CD2 4.29Å; A199-A616 HydrophobicContact CB-CB 3.66Å; A199-F617 HydrophobicContact CB-CE2 4.02Å
200	T	98.6	Very high	96.4	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	132.2	-171.2	60	0	0	0	0	113.1	A177 F179 L188 C191 V198 H253 V254	A177-T200 WeakPolarHBondContact O-CA 3.46Å; F179-T200 HydrophobicContact CE2-CG2 4.5Å; L188-T200 HydrophobicContact CG-CG2 4.18Å; C191-T200 HydrophobicContact CB-CG2 4.28Å; V198-T200 HydrophobicContact CG1-CG2 4.08Å; T200-H253 PolarHBondContact N-ND1 2.97Å; T200-H253 WeakPolarHBondContact O-CB 3.48Å; T200-H253 PolarHBondContact O-N 3.3Å; T200-H253 PolarHBondContact OG1-N 3.19Å; T200-H253 PolarHBondContact OG1-ND1 3.18Å; T200-V254 PolarHBondContact O-N 3.17Å; T200-V254 VanDerWaalsContact O-N 3.14Å
201	I	98.8	Very high	95.9	Very high	0 Å²	0	35 Å²	35	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	134.1	176.5	-51.5	169.1	0	0	0	108.3	V176 A177 Q178 F179 V254 T256 R609 A612	V176-I201 HydrophobicContact CG1-CD1 4.04Å; A177-I201 PolarHBondContact O-N 2.89Å; Q178-I201 HydrophobicContact CB-CB 4.19Å; Q178-I201 HydrophobicContact CB-CD1 4.32Å; Q178-I201 HydrophobicContact CG-CB 4.01Å; Q178-I201 HydrophobicContact CG-CD1 4.45Å; Q178-I201 HydrophobicContact CG-CG2 4.13Å; F179-I201 PolarHBondContact N-O 2.8Å; I201-V254 CarbonylContact C-O 3.53Å; I201-V254 VanDerWaalsContact CA-O 3.3Å; I201-V254 WeakPolarHBondContact CA-O 3.4Å; I201-V254 HydrophobicContact CG1-CB 4.33Å; I201-V254 HydrophobicContact CG2-CB 4.41Å; I201-V254 HydrophobicContact CG2-CG1 4.45Å; I201-T256 HydrophobicContact CG2-CG2 4.26Å; I201-R609 HydrophobicContact CD1-CB 4.25Å; I201-R609 HydrophobicContact CD1-CG 3.71Å; I201-A612 HydrophobicContact CD1-CB 3.97Å; I201-A612 HydrophobicContact CG1-CB 3.56Å
202	F	98.8	Very high	95.6	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	121.9	170.2	-176.6	-119.2	0	0	0	109.8	F179 L188 A248 A249 A252 V254 F255 T256	F179-F202 HydrophobicContact CB-CD2 4.4Å; L188-F202 HydrophobicContact CD1-CB 3.79Å; F202-A248 HydrophobicContact CD1-CB 4.24Å; F202-A248 HydrophobicContact CD2-CB 3.78Å; F202-A248 HydrophobicContact CE1-CB 4.1Å; F202-A248 HydrophobicContact CE2-CB 3.62Å; F202-A248 HydrophobicContact CG-CB 4.09Å; F202-A248 HydrophobicContact CZ-CB 3.8Å; F202-A249 HydrophobicContact CD1-CB 3.91Å; F202-A249 HydrophobicContact CE1-CB 4Å; F202-A252 HydrophobicContact CB-CB 3.63Å; F202-V254 PolarHBondContact N-O 2.99Å; F202-F255 HydrophobicContact CB-CD2 4.35Å; F202-F255 AromaticContact CD1-CD2 3.62Å; F202-F255 HydrophobicContact CD1-CD2 3.62Å; F202-F255 AromaticContact CD1-CE2 3.61Å; F202-F255 HydrophobicContact CD1-CE2 3.61Å; F202-F255 HydrophobicContact CE1-CD2 4.46Å; F202-F255 HydrophobicContact CE1-CE2 4.01Å; F202-F255 HydrophobicContact CG-CD2 4.44Å; F202-F255 CarbonylContact O-C 3.56Å; F202-F255 WeakPolarHBondContact O-CA 3.49Å; F202-F255 WeakPolarHBondContact O-CD2 3.43Å; F202-T256 PolarHBondContact O-N 3.07Å
203	T	98.7	Very high	95.3	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	115.2	174	-54.9	0	0	0	0	109.5	Q178 F179 E181 T256 V258	Q178-T203 PolarHBondContact NE2-OG1 3.49Å; F179-T203 PolarHBondContact O-N 3.28Å; E181-T203 PolarHBondContact N-O 3.35Å; T203-T256 WeakPolarHBondContact CA-O 3.19Å; T203-T256 WeakPolarHBondContact CB-OG1 3.2Å; T203-T256 WeakPolarHBondContact CG2-OG1 3.44Å; T203-T256 PolarHBondContact OG1-OG1 2.93Å; T203-V258 HydrophobicContact CG2-CG1 4.31Å
204	T	98.1	Very high	94.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	128.1	168.1	-178.8	0	0	0	0	109.9	E181 A206 F255 T256 T257 L270	E181-T204 PolarHBondContact OE1-OG1 2.95Å; T204-A206 PolarHBondContact OG1-O 2.99Å; T204-F255 HydrophobicContact CG2-CE2 3.61Å; T204-F255 HydrophobicContact CG2-CZ 3.7Å; T204-T256 PolarHBondContact N-O 3.04Å; T204-T257 HydrophobicContact CG2-CG2 3.63Å; T204-T257 WeakPolarHBondContact O-CA 3.42Å; T204-L270 HydrophobicContact CG2-CD1 4.28Å
205	H	96.6	Very high	94.2	Very high	17 Å²	17	28.9 Å²	28.9	8%	0.079	15%	0.149	C	C	.	.	S	Bend	trans	-88.6	-21.3	176.9	-69.1	-100.8	0	0	0	111.5	I43 H180 E181 V258 P511	I43-H205 HydrophobicContact CD1-CB 4.43Å; I43-H205 HydrophobicContact CG1-CB 4.34Å; H180-H205 AromaticContact CG-NE2 3.87Å; H180-H205 AromaticContact ND1-NE2 3.17Å; H180-H205 PolarHBondContact ND1-NE2 3.45Å; H180-H205 VanDerWaalsContact ND1-NE2 3.17Å; E181-H205 HydrophobicContact CG-CB 4.46Å; E181-H205 WeakPolarHBondContact OE1-CA 3.4Å; E181-H205 WeakPolarHBondContact OE1-CB 3.15Å; E181-H205 PolarHBondContact OE1-N 3.06Å; H205-V258 HydrophobicContact CB-CG1 4.41Å; H205-V258 WeakPolarHBondContact ND1-CG1 3.43Å; H205-P511 WeakPolarHBondContact O-CB 3.48Å
206	A	95.4	Very high	93.2	Very high	13 Å²	13	22.6 Å²	22.6	11%	0.107	13%	0.132	C	C	.	.	S	Bend	trans	-162.7	146.4	172.7	0	0	0	0	0	108.3	E181 T204 R211 P511	E181-A206 PolarHBondContact OE1-N 2.71Å; T204-A206 PolarHBondContact OG1-O 2.99Å; A206-R211 HydrophobicContact CB-CG 4.29Å; A206-P511 HydrophobicContact CB-CB 4.25Å; A206-P511 HydrophobicContact CB-CG 3.58Å
207	T	96.2	Very high	92.1	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.155	C	C	.	.			trans	-79.3	145.9	169.9	87.4	0	0	0	0	110.5	G210 R211 E245 E265 A266 L269 L270 Y509	T207-G210 PolarHBondContact O-N 3.43Å; T207-G210 PolarHBondContact OG1-N 3.04Å; T207-R211 PolarHBondContact O-N 3.11Å; T207-E245 WeakPolarHBondContact CA-OE1 3.42Å; T207-E265 VanDerWaalsContact CB-OE1 3.27Å; T207-E265 WeakPolarHBondContact CB-OE1 2.75Å; T207-E265 HydrophobicContact CG2-CG 3.78Å; T207-E265 WeakPolarHBondContact CG2-OE1 3.46Å; T207-E265 PolarHBondContact OG1-OE1 3.42Å; T207-A266 HydrophobicContact CG2-CB 4.4Å; T207-L269 VanDerWaalsContact OG1-CD1 3.31Å; T207-L269 WeakPolarHBondContact OG1-CD1 3.33Å; T207-L270 HydrophobicContact CG2-CD1 4.16Å; T207-L270 HydrophobicContact CG2-CG 4.26Å; T207-Y509 PolarHBondContact O-OH 3.18Å
208	L	94.3	Very high	91.6	Very high	17 Å²	17	26.1 Å²	26.1	9%	0.089	15%	0.149	C	C	.	.	H	α-helix	trans	-55.5	-56.2	174.3	-80.7	166.5	0	0	0	110.6	W182 G210 R211 Y212 R241 E245	W182-L208 HydrophobicContact CD2-CD1 4.15Å; W182-L208 HydrophobicContact CG-CD1 3.94Å; W182-L208 HydrophobicContact CG-CG 4.45Å; L208-G210 VanDerWaalsContact C-N 3.31Å; L208-G210 PolarHBondContact O-N 2.85Å; L208-R211 PolarHBondContact O-N 3.48Å; L208-Y212 VanDerWaalsContact O-CD2 3.29Å; L208-Y212 WeakPolarHBondContact O-CD2 3.41Å; L208-Y212 PolarHBondContact O-N 3.44Å; L208-R241 VanDerWaalsContact CD1-C 3.5Å; L208-R241 HydrophobicContact CD1-CB 3.68Å; L208-R241 WeakPolarHBondContact CD1-O 3.2Å; L208-E245 WeakPolarHBondContact CB-OE2 2.88Å; L208-E245 HydrophobicContact CD1-CB 4.05Å; L208-E245 PolarHBondContact N-OE1 3.27Å; L208-E245 PolarHBondContact N-OE2 2.86Å; L208-E245 VanDerWaalsContact N-OE2 3.12Å
209	L	94.5	Very high	91.3	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-59.9	-39.6	-176.1	-83.3	177.5	0	0	0	112.5	R211 Y212 L213 V229 E232 A233 I238 Y242 L269	L209-R211 VanDerWaalsContact C-N 3.33Å; L209-R211 PolarHBondContact O-N 2.94Å; L209-Y212 PolarHBondContact O-N 3.26Å; L209-L213 HydrophobicContact CB-CD1 4.27Å; L209-L213 WeakPolarHBondContact O-CB 3.36Å; L209-L213 VanDerWaalsContact O-CG 3.28Å; L209-L213 WeakPolarHBondContact O-CG 3.49Å; L209-L213 PolarHBondContact O-N 3.06Å; L209-V229 HydrophobicContact CD1-CB 3.74Å; L209-V229 HydrophobicContact CD1-CG1 3.99Å; L209-E232 HydrophobicContact CD2-CB 3.95Å; L209-A233 HydrophobicContact CD2-CB 3.97Å; L209-I238 HydrophobicContact CD2-CD1 4.29Å; L209-Y242 HydrophobicContact CD1-CD2 3.66Å; L209-Y242 HydrophobicContact CD1-CE2 3.59Å; L209-Y242 HydrophobicContact CD1-CG 4.33Å; L209-Y242 HydrophobicContact CG-CD2 3.99Å; L209-Y242 HydrophobicContact CG-CE2 4.37Å; L209-L269 HydrophobicContact CB-CD1 3.95Å
210	G	92.6	Very high	91	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-60.3	-41.6	179.2	0	0	0	0	0	113.3	T207 L208 Y212 L213 C214 F220 E265	T207-G210 PolarHBondContact O-N 3.43Å; T207-G210 PolarHBondContact OG1-N 3.04Å; L208-G210 VanDerWaalsContact C-N 3.31Å; L208-G210 PolarHBondContact O-N 2.85Å; G210-Y212 PolarHBondContact O-N 3.24Å; G210-L213 PolarHBondContact O-N 3.36Å; G210-C214 WeakPolarHBondContact O-CB 3.11Å; G210-C214 PolarHBondContact O-N 3.46Å; G210-C214 PolarHBondContact O-SG 2.77Å; G210-F220 VanDerWaalsContact CA-CZ 3.4Å; G210-E265 VanDerWaalsContact CA-OE1 3.27Å; G210-E265 WeakPolarHBondContact CA-OE1 3.48Å
211	R	87.9	Confident	90.7	Very high	104 Å²	104	30.3 Å²	30.3	39%	0.392	17%	0.17	S	C	.	.	H	α-helix	trans	-60.3	-44.3	175.8	-67.7	-174	82.1	-166	-3.6	112.2	A206 T207 L208 L209 A215 R331 E333 Y509	A206-R211 HydrophobicContact CB-CG 4.29Å; T207-R211 PolarHBondContact O-N 3.11Å; L208-R211 PolarHBondContact O-N 3.48Å; L209-R211 VanDerWaalsContact C-N 3.33Å; L209-R211 PolarHBondContact O-N 2.94Å; R211-A215 PolarHBondContact O-N 3.26Å; R211-R331 VanDerWaalsContact NH2-NH1 3.11Å; R211-E333 IonicContact NH2-OE1 2.71Å; R211-Y509 HydrophobicContact CB-CE1 4.33Å; R211-Y509 HydrophobicContact CG-CD1 4.4Å; R211-Y509 HydrophobicContact CG-CE1 3.45Å; R211-Y509 VanDerWaalsContact CG-CE1 3.45Å; R211-Y509 PolarHBondContact N-OH 3.03Å
212	Y	89.6	Confident	90.4	Very high	92 Å²	92	35.3 Å²	35.3	36%	0.361	20%	0.197	S	C	.	.	H	α-helix	trans	-75.2	-37.2	-178.3	-79.7	-87.4	0	0	0	113.2	L208 L209 G210 G216 I238	L208-Y212 VanDerWaalsContact O-CD2 3.29Å; L208-Y212 WeakPolarHBondContact O-CD2 3.41Å; L208-Y212 PolarHBondContact O-N 3.44Å; L209-Y212 PolarHBondContact O-N 3.26Å; G210-Y212 PolarHBondContact O-N 3.24Å; Y212-G216 PolarHBondContact O-N 2.79Å; Y212-I238 HydrophobicContact CD1-CD1 4.48Å; Y212-I238 HydrophobicContact CD2-CD1 3.45Å; Y212-I238 VanDerWaalsContact CD2-CD1 3.45Å; Y212-I238 HydrophobicContact CE1-CG2 4.46Å; Y212-I238 HydrophobicContact CE2-CD1 3.66Å; Y212-I238 HydrophobicContact CE2-CG2 4.2Å; Y212-I238 HydrophobicContact CG-CD1 3.91Å
213	L	90.4	Very high	90.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-67.1	-46.8	178.2	-72.8	167.3	0	0	0	110.1	L209 G210 A215 G216 V218 F220 F227 E232	L209-L213 HydrophobicContact CB-CD1 4.27Å; L209-L213 WeakPolarHBondContact O-CB 3.36Å; L209-L213 VanDerWaalsContact O-CG 3.28Å; L209-L213 WeakPolarHBondContact O-CG 3.49Å; L209-L213 PolarHBondContact O-N 3.06Å; G210-L213 PolarHBondContact O-N 3.36Å; L213-A215 VanDerWaalsContact C-N 3.27Å; L213-A215 PolarHBondContact O-N 2.85Å; L213-G216 WeakPolarHBondContact O-CA 3.31Å; L213-G216 PolarHBondContact O-N 2.72Å; L213-V218 HydrophobicContact CB-CG2 4.09Å; L213-V218 HydrophobicContact CD2-CG2 4.37Å; L213-V218 WeakPolarHBondContact O-CG2 3.37Å; L213-F220 HydrophobicContact CB-CD2 3.66Å; L213-F220 HydrophobicContact CB-CE2 3.89Å; L213-F220 HydrophobicContact CD1-CD2 4.05Å; L213-F220 HydrophobicContact CD1-CE2 3.73Å; L213-F220 HydrophobicContact CG-CD2 4.49Å; L213-F220 HydrophobicContact CG-CE2 4.46Å; L213-F227 HydrophobicContact CD1-CD1 4.23Å; L213-F227 HydrophobicContact CD1-CD2 4.18Å; L213-F227 HydrophobicContact CD1-CE1 4.35Å; L213-F227 HydrophobicContact CD1-CE2 4.31Å; L213-F227 HydrophobicContact CD1-CG 4.16Å; L213-F227 HydrophobicContact CD1-CZ 4.4Å; L213-F227 HydrophobicContact CD2-CD1 4.11Å; L213-F227 HydrophobicContact CD2-CE1 3.87Å; L213-F227 HydrophobicContact CD2-CZ 4.4Å; L213-E232 HydrophobicContact CD2-CB 4.41Å; L213-E232 HydrophobicContact CD2-CG 4.1Å; L213-E232 WeakPolarHBondContact CD2-OE2 3.37Å
214	C	86.4	Confident	89.9	Confident	2 Å²	2	37.9 Å²	37.9	1%	0.014	21%	0.21	C	C	.	.	H	α-helix	trans	-62.5	-33.2	178.6	-68	0	0	0	0	113.4	G210 G216 F220 N336 Y508 Y509	G210-C214 WeakPolarHBondContact O-CB 3.11Å; G210-C214 PolarHBondContact O-N 3.46Å; G210-C214 PolarHBondContact O-SG 2.77Å; C214-G216 PolarHBondContact O-N 2.9Å; C214-F220 WeakPolarHBondContact SG-CD1 3.25Å; C214-F220 WeakPolarHBondContact SG-CG 3.16Å; C214-N336 WeakPolarHBondContact CB-OD1 3.44Å; C214-Y508 HydrophobicContact CB-CD1 4.28Å; C214-Y508 HydrophobicContact CB-CE1 4.26Å; C214-Y509 HydrophobicContact CB-CD2 4.1Å; C214-Y509 HydrophobicContact CB-CG 3.98Å; C214-Y509 WeakPolarHBondContact SG-CD2 3.48Å
215	A	81.4	Confident	89.7	Confident	69 Å²	69	41.4 Å²	41.4	57%	0.57	24%	0.24	S	C	*	.	H	α-helix	trans	-69.5	-20.3	173.6	0	0	0	0	0	113.5	R211 L213 N217	R211-A215 PolarHBondContact O-N 3.26Å; L213-A215 VanDerWaalsContact C-N 3.27Å; L213-A215 PolarHBondContact O-N 2.85Å; A215-N217 VanDerWaalsContact C-N 3.3Å; A215-N217 PolarHBondContact O-N 3.46Å
216	G	75.6	Confident	89.6	Confident	45 Å²	45	47.9 Å²	47.9	46%	0.464	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	10.6	-178.2	0	0	0	0	0	115.5	Y212 L213 C214 V218	Y212-G216 PolarHBondContact O-N 2.79Å; L213-G216 WeakPolarHBondContact O-CA 3.31Å; L213-G216 PolarHBondContact O-N 2.72Å; C214-G216 PolarHBondContact O-N 2.9Å; G216-V218 PolarHBondContact O-N 3.1Å
217	N	73	Confident	89.6	Confident	133 Å²	133	48.6 Å²	48.6	71%	0.711	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	29.9	-175.9	-65.8	-28	0	0	0	114.3	A215	A215-N217 VanDerWaalsContact C-N 3.3Å; A215-N217 PolarHBondContact O-N 3.46Å
218	V	83.3	Confident	89.6	Confident	51 Å²	51	52.9 Å²	52.9	31%	0.309	29%	0.294	S	S	.	.			trans	-87.7	148	170.9	-64.4	0	0	0	0	110.6	L213 G216 F220 F227 Y508	L213-V218 HydrophobicContact CB-CG2 4.09Å; L213-V218 HydrophobicContact CD2-CG2 4.37Å; L213-V218 WeakPolarHBondContact O-CG2 3.37Å; G216-V218 PolarHBondContact O-N 3.1Å; V218-F220 PolarHBondContact O-N 2.96Å; V218-F227 HydrophobicContact CG2-CE1 4.42Å; V218-F227 HydrophobicContact CG2-CZ 4.09Å; V218-Y508 PolarHBondContact O-OH 2.81Å
219	D	88.8	Confident	89.7	Confident	73 Å²	73	52.4 Å²	52.4	39%	0.39	29%	0.291	S	S	.	.			trans	-69	103.4	164.7	-175.4	-2.3	0	0	0	108	N222 N223	D219-N222 VanDerWaalsContact CG-ND2 3.3Å; D219-N222 WeakPolarHBondContact OD1-CB 3.46Å; D219-N222 PolarHBondContact OD1-ND2 3.37Å; D219-N222 WeakPolarHBondContact OD2-CB 3.27Å; D219-N222 PolarHBondContact OD2-ND2 2.89Å; D219-N223 PolarHBondContact O-ND2 3.38Å
220	F	92.3	Very high	89.8	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	31%	0.308	C	S	.	.			trans	-90.7	-57.1	-163.6	172.7	-114.6	0	0	0	110.6	G210 L213 C214 V218 N222 N223 L224 F227 E265 L269 Y508 Y509	G210-F220 VanDerWaalsContact CA-CZ 3.4Å; L213-F220 HydrophobicContact CB-CD2 3.66Å; L213-F220 HydrophobicContact CB-CE2 3.89Å; L213-F220 HydrophobicContact CD1-CD2 4.05Å; L213-F220 HydrophobicContact CD1-CE2 3.73Å; L213-F220 HydrophobicContact CG-CD2 4.49Å; L213-F220 HydrophobicContact CG-CE2 4.46Å; C214-F220 WeakPolarHBondContact SG-CD1 3.25Å; C214-F220 WeakPolarHBondContact SG-CG 3.16Å; V218-F220 PolarHBondContact O-N 2.96Å; F220-N222 VanDerWaalsContact C-N 3.3Å; F220-N222 PolarHBondContact O-N 3.23Å; F220-N223 PolarHBondContact O-N 3.28Å; F220-L224 HydrophobicContact CD1-CD2 4.34Å; F220-L224 HydrophobicContact CD2-CD2 4.09Å; F220-L224 HydrophobicContact CE1-CD2 3.93Å; F220-L224 HydrophobicContact CE2-CD2 3.63Å; F220-L224 HydrophobicContact CG-CD2 4.44Å; F220-L224 HydrophobicContact CZ-CD2 3.56Å; F220-L224 WeakPolarHBondContact O-CG 3.32Å; F220-L224 PolarHBondContact O-N 3.06Å; F220-F227 AromaticContact CD2-CE2 3.87Å; F220-F227 HydrophobicContact CD2-CE2 3.87Å; F220-F227 HydrophobicContact CD2-CZ 4.32Å; F220-F227 HydrophobicContact CE2-CE2 4.41Å; F220-E265 HydrophobicContact CE1-CG 4.31Å; F220-E265 HydrophobicContact CZ-CG 3.88Å; F220-L269 HydrophobicContact CE2-CD1 3.99Å; F220-L269 HydrophobicContact CZ-CD1 3.86Å; F220-Y508 HydrophobicContact CB-CE1 4.25Å; F220-Y508 PolarHBondContact N-OH 2.91Å; F220-Y509 HydrophobicContact CE1-CD2 4.18Å; F220-Y509 HydrophobicContact CE1-CE2 4.09Å
221	Y	92.6	Very high	90	Very high	20 Å²	20	60.8 Å²	60.8	8%	0.078	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-27	-173.7	-70.4	-73.5	0	0	0	113.4	L224 I261 Y508 Y509 L531	Y221-L224 HydrophobicContact CD1-CD1 4.25Å; Y221-I261 HydrophobicContact CD1-CD1 3.87Å; Y221-I261 HydrophobicContact CD1-CG1 4.27Å; Y221-I261 HydrophobicContact CE1-CD1 3.69Å; Y221-I261 HydrophobicContact CE1-CG1 3.56Å; Y221-Y508 HydrophobicContact CD2-CE2 4.2Å; Y221-Y508 VanDerWaalsContact CE2-O 3.27Å; Y221-Y508 WeakPolarHBondContact CE2-O 3.43Å; Y221-Y509 WeakPolarHBondContact OH-CD2 3.47Å; Y221-L531 HydrophobicContact CD1-CD2 4.14Å; Y221-L531 HydrophobicContact CD2-CD1 3.75Å; Y221-L531 HydrophobicContact CD2-CD2 3.58Å; Y221-L531 HydrophobicContact CD2-CG 4.21Å; Y221-L531 HydrophobicContact CE1-CD2 4.41Å; Y221-L531 HydrophobicContact CE2-CB 4.26Å; Y221-L531 HydrophobicContact CE2-CD1 3.96Å; Y221-L531 HydrophobicContact CE2-CD2 3.87Å; Y221-L531 HydrophobicContact CE2-CG 4.26Å; Y221-L531 HydrophobicContact CG-CD2 3.72Å
222	N	92.9	Very high	90.4	Very high	104 Å²	104	57.6 Å²	57.6	56%	0.556	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-22.5	177.4	-63.6	-36.3	0	0	0	113.1	D219 F220	D219-N222 VanDerWaalsContact CG-ND2 3.3Å; D219-N222 WeakPolarHBondContact OD1-CB 3.46Å; D219-N222 PolarHBondContact OD1-ND2 3.37Å; D219-N222 WeakPolarHBondContact OD2-CB 3.27Å; D219-N222 PolarHBondContact OD2-ND2 2.89Å; F220-N222 VanDerWaalsContact C-N 3.3Å; F220-N222 PolarHBondContact O-N 3.23Å
223	N	93.9	Very high	90.7	Very high	47 Å²	47	53.2 Å²	53.2	25%	0.251	30%	0.303	S	S	.	.	S	Bend	trans	-114.2	17.2	-174.1	-57.1	-56.7	0	0	0	113.3	D219 F220 A225 E226 F227	D219-N223 PolarHBondContact O-ND2 3.38Å; F220-N223 PolarHBondContact O-N 3.28Å; N223-A225 PolarHBondContact O-N 3.42Å; N223-A225 VanDerWaalsContact O-N 3.12Å; N223-E226 HydrophobicContact CB-CB 4.46Å; N223-E226 PolarHBondContact O-N 2.76Å; N223-F227 HydrophobicContact CB-CE2 4.17Å; N223-F227 HydrophobicContact CB-CZ 4.27Å; N223-F227 WeakPolarHBondContact O-CD2 3.37Å; N223-F227 WeakPolarHBondContact O-CE2 3.46Å; N223-F227 PolarHBondContact O-N 3.48Å
224	L	93.2	Very high	91	Very high	8 Å²	8	54.4 Å²	54.4	4%	0.042	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-39	-177.6	-74.8	175.6	0	0	0	113.5	F220 Y221 E226 I264 F268	F220-L224 HydrophobicContact CD1-CD2 4.34Å; F220-L224 HydrophobicContact CD2-CD2 4.09Å; F220-L224 HydrophobicContact CE1-CD2 3.93Å; F220-L224 HydrophobicContact CE2-CD2 3.63Å; F220-L224 HydrophobicContact CG-CD2 4.44Å; F220-L224 HydrophobicContact CZ-CD2 3.56Å; F220-L224 WeakPolarHBondContact O-CG 3.32Å; F220-L224 PolarHBondContact O-N 3.06Å; Y221-L224 HydrophobicContact CD1-CD1 4.25Å; L224-E226 VanDerWaalsContact C-N 3.3Å; L224-E226 PolarHBondContact O-N 2.91Å; L224-I264 HydrophobicContact CD1-CG2 3.97Å; L224-F268 HydrophobicContact CB-CB 4.07Å; L224-F268 HydrophobicContact CB-CD2 3.88Å; L224-F268 HydrophobicContact CB-CG 3.93Å; L224-F268 HydrophobicContact CD1-CD2 4.12Å
225	A	93.6	Very high	91.4	Very high	74 Å²	74	58.9 Å²	58.9	61%	0.612	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-20.5	-179.7	0	0	0	0	0	113.6	N223 F268	N223-A225 PolarHBondContact O-N 3.42Å; N223-A225 VanDerWaalsContact O-N 3.12Å; A225-F268 HydrophobicContact CB-CD1 4.09Å; A225-F268 HydrophobicContact CB-CE1 3.85Å
226	E	94.6	Very high	92	Very high	152 Å²	152	59.1 Å²	59.1	71%	0.71	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-16.8	-172.7	-55.5	-170.6	173.7	0	0	112.9	N223 L224 N228	N223-E226 HydrophobicContact CB-CB 4.46Å; N223-E226 PolarHBondContact O-N 2.76Å; L224-E226 VanDerWaalsContact C-N 3.3Å; L224-E226 PolarHBondContact O-N 2.91Å; E226-N228 PolarHBondContact O-N 3.49Å
227	F	94.2	Very high	92.9	Very high	29 Å²	29	63.7 Å²	63.7	13%	0.127	33%	0.334	C	S	.	.			trans	-68.7	125.4	-178.6	-68.8	-65.4	0	0	0	112.6	L213 V218 F220 N223 V229 E232	L213-F227 HydrophobicContact CD1-CD1 4.23Å; L213-F227 HydrophobicContact CD1-CD2 4.18Å; L213-F227 HydrophobicContact CD1-CE1 4.35Å; L213-F227 HydrophobicContact CD1-CE2 4.31Å; L213-F227 HydrophobicContact CD1-CG 4.16Å; L213-F227 HydrophobicContact CD1-CZ 4.4Å; L213-F227 HydrophobicContact CD2-CD1 4.11Å; L213-F227 HydrophobicContact CD2-CE1 3.87Å; L213-F227 HydrophobicContact CD2-CZ 4.4Å; V218-F227 HydrophobicContact CG2-CE1 4.42Å; V218-F227 HydrophobicContact CG2-CZ 4.09Å; F220-F227 AromaticContact CD2-CE2 3.87Å; F220-F227 HydrophobicContact CD2-CE2 3.87Å; F220-F227 HydrophobicContact CD2-CZ 4.32Å; F220-F227 HydrophobicContact CE2-CE2 4.41Å; N223-F227 HydrophobicContact CB-CE2 4.17Å; N223-F227 HydrophobicContact CB-CZ 4.27Å; N223-F227 WeakPolarHBondContact O-CD2 3.37Å; N223-F227 WeakPolarHBondContact O-CE2 3.46Å; N223-F227 PolarHBondContact O-N 3.48Å; F227-V229 PolarHBondContact O-N 3.35Å; F227-E232 HydrophobicContact CB-CG 4.49Å; F227-E232 HydrophobicContact CD1-CG 4.12Å
228	N	96.3	Very high	94	Very high	90 Å²	90	57.7 Å²	57.7	48%	0.481	30%	0.302	S	S	.	.			trans	-79.7	94	162.9	-176.3	-33	0	0	0	109.2	E226 D230 K231 E232	E226-N228 PolarHBondContact O-N 3.49Å; N228-D230 VanDerWaalsContact C-N 3.28Å; N228-D230 PolarHBondContact O-N 3.17Å; N228-D230 PolarHBondContact OD1-N 3.08Å; N228-K231 HydrophobicContact CB-CB 4Å; N228-K231 PolarHBondContact O-N 3.01Å; N228-K231 VanDerWaalsContact O-N 3.17Å; N228-K231 PolarHBondContact OD1-N 3.3Å; N228-K231 VanDerWaalsContact OD1-N 3.08Å; N228-E232 WeakPolarHBondContact O-CG 3.48Å; N228-E232 PolarHBondContact O-N 3.25Å
229	V	96.8	Very high	94.7	Very high	6 Å²	6	60.5 Å²	60.5	4%	0.036	31%	0.308	C	S	.	.	H	α-helix	trans	-54.1	-39.2	-175.3	-64.5	0	0	0	0	113.9	L209 F227 A233 Y242 L269	L209-V229 HydrophobicContact CD1-CB 3.74Å; L209-V229 HydrophobicContact CD1-CG1 3.99Å; F227-V229 PolarHBondContact O-N 3.35Å; V229-A233 VanDerWaalsContact O-CB 3.28Å; V229-A233 WeakPolarHBondContact O-CB 3.27Å; V229-A233 PolarHBondContact O-N 2.88Å; V229-Y242 HydrophobicContact CB-CE1 4.27Å; V229-Y242 HydrophobicContact CB-CE2 4.34Å; V229-Y242 WeakPolarHBondContact CB-OH 3.32Å; V229-Y242 HydrophobicContact CG2-CE1 4.19Å; V229-Y242 WeakPolarHBondContact CG2-OH 3.4Å; V229-L269 HydrophobicContact CG1-CD2 3.94Å
230	D	96.7	Very high	95.1	Very high	66 Å²	66	57.9 Å²	57.9	35%	0.353	29%	0.293	S	S	.	.	H	α-helix	trans	-70.2	-42.9	-178.6	-59.1	-56.3	0	0	0	110.8	N228 G234 Y239	N228-D230 VanDerWaalsContact C-N 3.28Å; N228-D230 PolarHBondContact O-N 3.17Å; N228-D230 PolarHBondContact OD1-N 3.08Å; D230-G234 PolarHBondContact O-N 2.92Å; D230-Y239 HydrophobicContact CB-CE2 3.8Å; D230-Y239 WeakPolarHBondContact OD1-CE2 3.45Å
231	K	96.9	Very high	95.4	Very high	112 Å²	112	59.4 Å²	59.4	49%	0.487	30%	0.299	S	S	.	.	H	α-helix	trans	-63.7	-48.9	173.7	177.2	172.3	171.4	47.9	0	111.5	N228 A233 G234 D235	N228-K231 HydrophobicContact CB-CB 4Å; N228-K231 PolarHBondContact O-N 3.01Å; N228-K231 VanDerWaalsContact O-N 3.17Å; N228-K231 PolarHBondContact OD1-N 3.3Å; N228-K231 VanDerWaalsContact OD1-N 3.08Å; K231-A233 VanDerWaalsContact C-N 3.28Å; K231-A233 PolarHBondContact O-N 3.22Å; K231-G234 PolarHBondContact O-N 3.23Å; K231-D235 WeakPolarHBondContact CE-OD2 3.15Å; K231-D235 WeakPolarHBondContact CG-OD2 3.38Å; K231-D235 IonicContact NZ-OD1 2.57Å; K231-D235 PolarHBondContact NZ-OD1 3.14Å; K231-D235 IonicContact NZ-OD2 2.86Å; K231-D235 PolarHBondContact NZ-OD2 3.34Å; K231-D235 WeakPolarHBondContact O-CB 3.4Å; K231-D235 VanDerWaalsContact O-CG 3.28Å; K231-D235 PolarHBondContact O-N 3.34Å
232	E	95.6	Very high	95.7	Very high	37 Å²	37	58.5 Å²	58.5	17%	0.173	30%	0.296	C	S	.	.	H	α-helix	trans	-61.4	-38.2	-178.5	-68.1	-58.4	142.1	0	0	111.8	L209 L213 F227 N228 R236	L209-E232 HydrophobicContact CD2-CB 3.95Å; L213-E232 HydrophobicContact CD2-CB 4.41Å; L213-E232 HydrophobicContact CD2-CG 4.1Å; L213-E232 WeakPolarHBondContact CD2-OE2 3.37Å; F227-E232 HydrophobicContact CB-CG 4.49Å; F227-E232 HydrophobicContact CD1-CG 4.12Å; N228-E232 WeakPolarHBondContact O-CG 3.48Å; N228-E232 PolarHBondContact O-N 3.25Å; E232-R236 PolarHBondContact O-N 3.16Å; E232-R236 PolarHBondContact O-NH1 3.09Å; E232-R236 IonicContact OE2-CZ 3.59Å; E232-R236 VanDerWaalsContact OE2-CZ 3.23Å; E232-R236 IonicContact OE2-NH1 3.33Å; E232-R236 PolarHBondContact OE2-NH1 3.17Å; E232-R236 IonicContact OE2-NH2 2.86Å; E232-R236 PolarHBondContact OE2-NH2 3.24Å
233	A	96.4	Very high	95.9	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-73.3	-38.6	176.4	0	0	0	0	0	112.1	L209 V229 K231 R236 Q237 I238 Y239 Y242	L209-A233 HydrophobicContact CD2-CB 3.97Å; V229-A233 VanDerWaalsContact O-CB 3.28Å; V229-A233 WeakPolarHBondContact O-CB 3.27Å; V229-A233 PolarHBondContact O-N 2.88Å; K231-A233 VanDerWaalsContact C-N 3.28Å; K231-A233 PolarHBondContact O-N 3.22Å; A233-R236 PolarHBondContact O-N 2.73Å; A233-Q237 PolarHBondContact O-N 2.85Å; A233-I238 HydrophobicContact CB-CG1 4.18Å; A233-I238 WeakPolarHBondContact O-CG1 3.39Å; A233-I238 PolarHBondContact O-N 3.18Å; A233-Y239 HydrophobicContact CB-CD2 4.13Å; A233-Y239 PolarHBondContact O-N 2.47Å; A233-Y242 HydrophobicContact CB-CD1 4.1Å; A233-Y242 HydrophobicContact CB-CG 4.01Å
234	G	96.3	Very high	96.1	Very high	24 Å²	24	52.5 Å²	52.5	25%	0.247	27%	0.265	C	S	.	.	H	α-helix	trans	-64.9	-48.2	176	0	0	0	0	0	113.1	D230 K231 R236 Q237	D230-G234 PolarHBondContact O-N 2.92Å; K231-G234 PolarHBondContact O-N 3.23Å; G234-R236 PolarHBondContact O-N 3.22Å; G234-R236 VanDerWaalsContact O-N 3.14Å; G234-Q237 PolarHBondContact O-N 2.79Å; G234-Q237 PolarHBondContact O-NE2 3.17Å
235	D	95.1	Very high	96.4	Very high	97 Å²	97	52.1 Å²	52.1	52%	0.519	26%	0.263	S	S	.	.	H	α-helix	trans	-60.2	-27.4	179.3	-71.9	-10.9	0	0	0	111.6	K231	K231-D235 WeakPolarHBondContact CE-OD2 3.15Å; K231-D235 WeakPolarHBondContact CG-OD2 3.38Å; K231-D235 IonicContact NZ-OD1 2.57Å; K231-D235 PolarHBondContact NZ-OD1 3.14Å; K231-D235 IonicContact NZ-OD2 2.86Å; K231-D235 PolarHBondContact NZ-OD2 3.34Å; K231-D235 WeakPolarHBondContact O-CB 3.4Å; K231-D235 VanDerWaalsContact O-CG 3.28Å; K231-D235 PolarHBondContact O-N 3.34Å
236	R	93.9	Very high	96.6	Very high	73 Å²	73	52.1 Å²	52.1	28%	0.275	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	3.2	177.7	-70.1	172.2	-175.2	70.8	-3.6	114.6	E232 A233 G234 I238	E232-R236 PolarHBondContact O-N 3.16Å; E232-R236 PolarHBondContact O-NH1 3.09Å; E232-R236 IonicContact OE2-CZ 3.59Å; E232-R236 VanDerWaalsContact OE2-CZ 3.23Å; E232-R236 IonicContact OE2-NH1 3.33Å; E232-R236 PolarHBondContact OE2-NH1 3.17Å; E232-R236 IonicContact OE2-NH2 2.86Å; E232-R236 PolarHBondContact OE2-NH2 3.24Å; A233-R236 PolarHBondContact O-N 2.73Å; G234-R236 PolarHBondContact O-N 3.22Å; G234-R236 VanDerWaalsContact O-N 3.14Å; R236-I238 HydrophobicContact CB-CD1 4.23Å; R236-I238 HydrophobicContact CB-CG1 4.01Å; R236-I238 PolarHBondContact O-N 3.12Å
237	Q	95.2	Very high	96.7	Very high	142 Å²	142	45.8 Å²	45.8	66%	0.664	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.6	32.6	-179.3	-56.1	-66.7	-64.3	0	0	113.6	A233 G234 H240	A233-Q237 PolarHBondContact O-N 2.85Å; G234-Q237 PolarHBondContact O-N 2.79Å; G234-Q237 PolarHBondContact O-NE2 3.17Å; Q237-H240 PolarHBondContact O-CE1 3.06Å
238	I	96.4	Very high	96.9	Very high	7 Å²	7	44.4 Å²	44.4	4%	0.036	22%	0.215	C	C	.	.			trans	-119	11.7	177.6	62.5	174.8	0	0	0	112.5	L209 Y212 A233 R236 H240 R241 Y242	L209-I238 HydrophobicContact CD2-CD1 4.29Å; Y212-I238 HydrophobicContact CD1-CD1 4.48Å; Y212-I238 HydrophobicContact CD2-CD1 3.45Å; Y212-I238 VanDerWaalsContact CD2-CD1 3.45Å; Y212-I238 HydrophobicContact CE1-CG2 4.46Å; Y212-I238 HydrophobicContact CE2-CD1 3.66Å; Y212-I238 HydrophobicContact CE2-CG2 4.2Å; Y212-I238 HydrophobicContact CG-CD1 3.91Å; A233-I238 HydrophobicContact CB-CG1 4.18Å; A233-I238 WeakPolarHBondContact O-CG1 3.39Å; A233-I238 PolarHBondContact O-N 3.18Å; R236-I238 HydrophobicContact CB-CD1 4.23Å; R236-I238 HydrophobicContact CB-CG1 4.01Å; R236-I238 PolarHBondContact O-N 3.12Å; I238-H240 VanDerWaalsContact C-N 3.31Å; I238-H240 PolarHBondContact O-N 3Å; I238-R241 WeakPolarHBondContact O-CB 3.32Å; I238-R241 PolarHBondContact O-N 3.22Å; I238-Y242 PolarHBondContact O-N 3.16Å
239	Y	97.8	Very high	97	Very high	110 Å²	110	40.1 Å²	40.1	43%	0.431	19%	0.192	S	C	.	.	H	α-helix	trans	-52.8	-44.8	-176.1	-173.8	-103.9	0	0	0	113.1	D230 A233 R241 Y242 C243	D230-Y239 HydrophobicContact CB-CE2 3.8Å; D230-Y239 WeakPolarHBondContact OD1-CE2 3.45Å; A233-Y239 HydrophobicContact CB-CD2 4.13Å; A233-Y239 PolarHBondContact O-N 2.47Å; Y239-R241 PolarHBondContact O-N 3.12Å; Y239-Y242 WeakPolarHBondContact O-CB 3.42Å; Y239-Y242 PolarHBondContact O-N 2.95Å; Y239-C243 VanDerWaalsContact CE1-SG 3.57Å; Y239-C243 PolarHBondContact O-N 2.88Å; Y239-C243 PolarHBondContact O-SG 2.81Å
240	H	97.2	Very high	97.1	Very high	17 Å²	17	44 Å²	44	8%	0.079	21%	0.21	C	C	.	.	H	α-helix	trans	-63.8	-38	177.6	56.6	-72.4	0	0	0	113.1	G140 D145 Q237 I238 C243 L244	G140-H240 WeakPolarHBondContact O-CB 3.38Å; D145-H240 IonicContact OD2-CD2 2.82Å; D145-H240 IonicContact OD2-CE1 2.79Å; D145-H240 IonicContact OD2-NE2 3.48Å; D145-H240 PolarHBondContact OD2-NE2 3.37Å; Q237-H240 PolarHBondContact O-CE1 3.06Å; I238-H240 VanDerWaalsContact C-N 3.31Å; I238-H240 PolarHBondContact O-N 3Å; H240-C243 PolarHBondContact O-N 3.13Å; H240-L244 WeakPolarHBondContact O-CG 3.4Å; H240-L244 PolarHBondContact O-N 2.93Å; H240-L244 VanDerWaalsContact O-N 3.13Å
241	R	98.1	Very high	97.2	Very high	33 Å²	33	42.2 Å²	42.2	13%	0.125	20%	0.202	C	C	.	.	H	α-helix	trans	-67.7	-43.6	175.9	-55.7	-178.8	177.2	-150.9	-8.5	111	D145 E147 W182 L208 I238 Y239 C243 L244 E245	D145-R241 VanDerWaalsContact CG-NH2 3.27Å; D145-R241 IonicContact OD1-CZ 2.8Å; D145-R241 IonicContact OD1-NE 3.26Å; D145-R241 IonicContact OD1-NH2 3.47Å; D145-R241 PolarHBondContact OD1-NH2 3.43Å; D145-R241 IonicContact OD2-CZ 2.67Å; D145-R241 VanDerWaalsContact OD2-CZ 3.31Å; D145-R241 IonicContact OD2-NE 2.71Å; D145-R241 PolarHBondContact OD2-NE 3.29Å; D145-R241 IonicContact OD2-NH2 3.32Å; D145-R241 PolarHBondContact OD2-NH2 3.41Å; E147-R241 IonicContact OE2-CZ 3.45Å; E147-R241 IonicContact OE2-NH1 3.85Å; E147-R241 PolarHBondContact OE2-NH1 3.02Å; E147-R241 IonicContact OE2-NH2 2.64Å; E147-R241 PolarHBondContact OE2-NH2 3.22Å; W182-R241 HydrophobicContact CE3-CB 4.32Å; W182-R241 HydrophobicContact CH2-CB 4.18Å; W182-R241 HydrophobicContact CH2-CG 3.77Å; W182-R241 HydrophobicContact CZ2-CB 4.47Å; W182-R241 HydrophobicContact CZ2-CG 4.33Å; W182-R241 HydrophobicContact CZ3-CB 4.1Å; W182-R241 HydrophobicContact CZ3-CG 3.97Å; L208-R241 VanDerWaalsContact CD1-C 3.5Å; L208-R241 HydrophobicContact CD1-CB 3.68Å; L208-R241 WeakPolarHBondContact CD1-O 3.2Å; I238-R241 WeakPolarHBondContact O-CB 3.32Å; I238-R241 PolarHBondContact O-N 3.22Å; Y239-R241 PolarHBondContact O-N 3.12Å; R241-C243 VanDerWaalsContact C-N 3.34Å; R241-C243 PolarHBondContact O-N 3.28Å; R241-L244 WeakPolarHBondContact O-CB 3.43Å; R241-L244 PolarHBondContact O-N 3.2Å; R241-E245 PolarHBondContact O-N 3.43Å
242	Y	98.1	Very high	97.2	Very high	1 Å²	1	37 Å²	37	0%	0.004	18%	0.18	C	C	.	.	H	α-helix	trans	-59.2	-43.8	174.4	168.8	-106.2	0	0	0	111.8	L209 V229 A233 I238 Y239 L244 E245 R246 L269 L270	L209-Y242 HydrophobicContact CD1-CD2 3.66Å; L209-Y242 HydrophobicContact CD1-CE2 3.59Å; L209-Y242 HydrophobicContact CD1-CG 4.33Å; L209-Y242 HydrophobicContact CG-CD2 3.99Å; L209-Y242 HydrophobicContact CG-CE2 4.37Å; V229-Y242 HydrophobicContact CB-CE1 4.27Å; V229-Y242 HydrophobicContact CB-CE2 4.34Å; V229-Y242 WeakPolarHBondContact CB-OH 3.32Å; V229-Y242 HydrophobicContact CG2-CE1 4.19Å; V229-Y242 WeakPolarHBondContact CG2-OH 3.4Å; A233-Y242 HydrophobicContact CB-CD1 4.1Å; A233-Y242 HydrophobicContact CB-CG 4.01Å; I238-Y242 PolarHBondContact O-N 3.16Å; Y239-Y242 WeakPolarHBondContact O-CB 3.42Å; Y239-Y242 PolarHBondContact O-N 2.95Å; Y242-L244 VanDerWaalsContact C-N 3.33Å; Y242-L244 PolarHBondContact O-N 3.04Å; Y242-E245 PolarHBondContact O-N 3.42Å; Y242-R246 WeakPolarHBondContact O-CB 3.36Å; Y242-R246 PolarHBondContact O-N 2.93Å; Y242-R246 WeakPolarHBondContact OH-CD 3.41Å; Y242-R246 PolarHBondContact OH-NH1 3.27Å; Y242-L269 WeakPolarHBondContact CE2-O 3.39Å; Y242-L269 PolarHBondContact OH-O 3.05Å; Y242-L270 HydrophobicContact CE2-CD2 4.2Å
243	C	98.1	Very high	97.3	Very high	24 Å²	24	36.9 Å²	36.9	16%	0.162	18%	0.179	C	C	.	.	H	α-helix	trans	-60.6	-41.1	175.9	-70.4	0	0	0	0	112.2	I139 Y239 H240 R241 A247	I139-C243 HydrophobicContact CD1-CB 4.12Å; I139-C243 HydrophobicContact CG1-CB 4.1Å; I139-C243 HydrophobicContact CG2-CB 4.08Å; Y239-C243 VanDerWaalsContact CE1-SG 3.57Å; Y239-C243 PolarHBondContact O-N 2.88Å; Y239-C243 PolarHBondContact O-SG 2.81Å; H240-C243 PolarHBondContact O-N 3.13Å; R241-C243 VanDerWaalsContact C-N 3.34Å; R241-C243 PolarHBondContact O-N 3.28Å; C243-A247 WeakPolarHBondContact O-CB 3.45Å; C243-A247 PolarHBondContact O-N 2.72Å
244	L	97.8	Very high	97.4	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-63.1	-45.5	175.7	-70.1	171	0	0	0	111.8	L133 I139 W182 L186 H240 R241 Y242 A247 A248	L133-L244 HydrophobicContact CD2-CD2 4.36Å; I139-L244 HydrophobicContact CD1-CD2 4.23Å; I139-L244 HydrophobicContact CG2-CD2 4.11Å; I139-L244 HydrophobicContact CG2-CG 4.22Å; W182-L244 HydrophobicContact CE3-CB 4.34Å; W182-L244 HydrophobicContact CE3-CD1 4.14Å; W182-L244 HydrophobicContact CZ3-CD1 4.1Å; L186-L244 HydrophobicContact CB-CD2 4.41Å; L186-L244 HydrophobicContact CD1-CD2 4.11Å; H240-L244 WeakPolarHBondContact O-CG 3.4Å; H240-L244 PolarHBondContact O-N 2.93Å; H240-L244 VanDerWaalsContact O-N 3.13Å; R241-L244 WeakPolarHBondContact O-CB 3.43Å; R241-L244 PolarHBondContact O-N 3.2Å; Y242-L244 VanDerWaalsContact C-N 3.33Å; Y242-L244 PolarHBondContact O-N 3.04Å; L244-A247 PolarHBondContact O-N 3.05Å; L244-A248 WeakPolarHBondContact O-CB 3.33Å; L244-A248 PolarHBondContact O-N 3.06Å
245	E	98.4	Very high	97.6	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-60.4	-49.5	176.9	-174.6	178.5	-123	0	0	111.7	W182 T207 L208 R241 Y242 A248 A249 L270	W182-E245 HydrophobicContact CB-CB 3.64Å; W182-E245 HydrophobicContact CB-CG 4.09Å; W182-E245 HydrophobicContact CG-CB 4.48Å; T207-E245 WeakPolarHBondContact CA-OE1 3.42Å; L208-E245 WeakPolarHBondContact CB-OE2 2.88Å; L208-E245 HydrophobicContact CD1-CB 4.05Å; L208-E245 PolarHBondContact N-OE1 3.27Å; L208-E245 PolarHBondContact N-OE2 2.86Å; L208-E245 VanDerWaalsContact N-OE2 3.12Å; R241-E245 PolarHBondContact O-N 3.43Å; Y242-E245 PolarHBondContact O-N 3.42Å; E245-A248 PolarHBondContact O-N 2.93Å; E245-A249 PolarHBondContact O-N 2.98Å; E245-L270 HydrophobicContact CB-CD2 4.47Å; E245-L270 HydrophobicContact CG-CD1 4.24Å; E245-L270 HydrophobicContact CG-CD2 3.79Å; E245-L270 WeakPolarHBondContact OE2-CD2 3.21Å
246	R	98.4	Very high	97.7	Very high	73 Å²	73	31.1 Å²	31.1	28%	0.275	14%	0.143	S	C	.	.	H	α-helix	trans	-65.2	-41.8	179.2	-175.8	173.6	179.3	-174.3	-8.3	111.8	Y242 A249 H250 L270	Y242-R246 WeakPolarHBondContact O-CB 3.36Å; Y242-R246 PolarHBondContact O-N 2.93Å; Y242-R246 WeakPolarHBondContact OH-CD 3.41Å; Y242-R246 PolarHBondContact OH-NH1 3.27Å; R246-A249 PolarHBondContact O-N 3.02Å; R246-H250 PolarHBondContact O-CD2 3.43Å; R246-H250 PolarHBondContact O-N 2.69Å; R246-L270 HydrophobicContact CB-CD2 4.39Å
247	A	98.1	Very high	97.9	Very high	20 Å²	20	27.6 Å²	27.6	17%	0.165	13%	0.13	C	C	.	.	H	α-helix	trans	-61.3	-45.7	176.5	0	0	0	0	0	111.1	I139 V189 C243 L244 A249 H250 C251	I139-A247 HydrophobicContact CD1-CB 3.95Å; V189-A247 HydrophobicContact CG2-CB 3.9Å; C243-A247 WeakPolarHBondContact O-CB 3.45Å; C243-A247 PolarHBondContact O-N 2.72Å; L244-A247 PolarHBondContact O-N 3.05Å; A247-A249 VanDerWaalsContact C-N 3.34Å; A247-A249 PolarHBondContact O-N 3.12Å; A247-H250 PolarHBondContact O-N 3.05Å; A247-C251 VanDerWaalsContact O-CB 3.28Å; A247-C251 WeakPolarHBondContact O-CB 3.28Å; A247-C251 PolarHBondContact O-N 2.86Å; A247-C251 PolarHBondContact O-SG 3Å; A247-C251 VanDerWaalsContact O-SG 3.34Å
248	A	98.3	Very high	98	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-60	-44.5	176.6	0	0	0	0	0	111.9	L188 V189 F202 L244 E245 H250 C251 A252	L188-A248 WeakPolarHBondContact CD2-O 3.48Å; V189-A248 HydrophobicContact CG2-CB 4.34Å; F202-A248 HydrophobicContact CD1-CB 4.24Å; F202-A248 HydrophobicContact CD2-CB 3.78Å; F202-A248 HydrophobicContact CE1-CB 4.1Å; F202-A248 HydrophobicContact CE2-CB 3.62Å; F202-A248 HydrophobicContact CG-CB 4.09Å; F202-A248 HydrophobicContact CZ-CB 3.8Å; L244-A248 WeakPolarHBondContact O-CB 3.33Å; L244-A248 PolarHBondContact O-N 3.06Å; E245-A248 PolarHBondContact O-N 2.93Å; A248-H250 PolarHBondContact O-N 3.03Å; A248-C251 PolarHBondContact O-N 3.41Å; A248-A252 PolarHBondContact O-N 2.99Å
249	A	98.4	Very high	98	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-60.3	-44.3	175.7	0	0	0	0	0	112.4	F202 E245 R246 A247 F255 L270 R272	F202-A249 HydrophobicContact CD1-CB 3.91Å; F202-A249 HydrophobicContact CE1-CB 4Å; E245-A249 PolarHBondContact O-N 2.98Å; R246-A249 PolarHBondContact O-N 3.02Å; A247-A249 VanDerWaalsContact C-N 3.34Å; A247-A249 PolarHBondContact O-N 3.12Å; A249-F255 HydrophobicContact CB-CD2 4.14Å; A249-F255 HydrophobicContact CB-CE1 4.44Å; A249-F255 HydrophobicContact CB-CE2 3.97Å; A249-F255 HydrophobicContact CB-CG 4.47Å; A249-F255 HydrophobicContact CB-CZ 4.15Å; A249-L270 HydrophobicContact CB-CB 4.38Å; A249-L270 HydrophobicContact CB-CD1 4.18Å; A249-R272 WeakPolarHBondContact O-CD 3.47Å; A249-R272 PolarHBondContact O-NH1 2.95Å
250	H	98.4	Very high	97.7	Very high	87 Å²	87	20 Å²	20	40%	0.403	10%	0.098	S	C	.	.	H	α-helix	trans	-74.6	-34.6	-179.2	-82.3	-99.8	0	0	0	113.5	R246 A247 A248 A252 L270 K271 R272	R246-H250 PolarHBondContact O-CD2 3.43Å; R246-H250 PolarHBondContact O-N 2.69Å; A247-H250 PolarHBondContact O-N 3.05Å; A248-H250 PolarHBondContact O-N 3.03Å; H250-A252 VanDerWaalsContact C-N 3.35Å; H250-A252 PolarHBondContact O-N 2.71Å; H250-L270 PolarHBondContact CD2-O 2.78Å; H250-L270 PolarHBondContact NE2-O 3.33Å; H250-K271 PolarHBondContact CE1-O 3.06Å; H250-K271 VanDerWaalsContact CE1-O 3.27Å; H250-K271 PolarHBondContact NE2-O 3.48Å; H250-R272 PolarHBondContact O-NH1 2.9Å
251	C	97.7	Very high	97.5	Very high	29 Å²	29	19.2 Å²	19.2	20%	0.196	10%	0.095	C	C	.	.	H	α-helix	trans	-78.3	-14.5	-179.5	-69.4	0	0	0	0	113.3	L188 V189 R192 A247 A248	L188-C251 HydrophobicContact CD2-CB 3.58Å; V189-C251 HydrophobicContact CG2-CB 4.19Å; R192-C251 HydrophobicContact CB-CB 4.37Å; R192-C251 WeakPolarHBondContact CD-O 3.35Å; R192-C251 HydrophobicContact CG-CB 4.16Å; R192-C251 WeakPolarHBondContact CG-O 3.49Å; R192-C251 PolarHBondContact NH1-O 2.91Å; A247-C251 VanDerWaalsContact O-CB 3.28Å; A247-C251 WeakPolarHBondContact O-CB 3.28Å; A247-C251 PolarHBondContact O-N 2.86Å; A247-C251 PolarHBondContact O-SG 3Å; A247-C251 VanDerWaalsContact O-SG 3.34Å; A248-C251 PolarHBondContact O-N 3.41Å
252	A	98.3	Very high	97.5	Very high	3 Å²	3	17.7 Å²	17.7	3%	0.025	9%	0.089	C	C	.	.			trans	-68	144.3	-177.5	0	0	0	0	0	112.3	L188 F202 A248 H250 V254 R272	L188-A252 HydrophobicContact CD1-CB 3.85Å; L188-A252 HydrophobicContact CD2-CB 4.31Å; F202-A252 HydrophobicContact CB-CB 3.63Å; A248-A252 PolarHBondContact O-N 2.99Å; H250-A252 VanDerWaalsContact C-N 3.35Å; H250-A252 PolarHBondContact O-N 2.71Å; A252-V254 VanDerWaalsContact C-N 3.31Å; A252-V254 VanDerWaalsContact CB-O 3.29Å; A252-V254 WeakPolarHBondContact CB-O 3.27Å; A252-R272 PolarHBondContact O-NH1 2.83Å; A252-R272 PolarHBondContact O-NH2 3.5Å
253	H	98.1	Very high	97.4	Very high	33 Å²	33	18 Å²	18	15%	0.153	9%	0.092	C	C	.	.	S	Bend	trans	-64.5	-43.5	166.1	-64.9	96.6	0	0	0	109.7	V198 T200 R272 K615	V198-H253 PolarHBondContact O-CE1 2.92Å; V198-H253 VanDerWaalsContact O-CE1 3.31Å; T200-H253 PolarHBondContact N-ND1 2.97Å; T200-H253 WeakPolarHBondContact O-CB 3.48Å; T200-H253 PolarHBondContact O-N 3.3Å; T200-H253 PolarHBondContact OG1-N 3.19Å; T200-H253 PolarHBondContact OG1-ND1 3.18Å; H253-R272 PolarHBondContact O-NH2 2.91Å; H253-K615 HydrophobicContact CB-CB 4.23Å; H253-K615 HydrophobicContact CB-CD 4.48Å; H253-K615 WeakPolarHBondContact O-CD 3.11Å; H253-K615 PolarHBondContact O-NZ 3.45Å
254	V	98.4	Very high	97.3	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	127.1	175.4	179.7	0	0	0	0	109.7	T200 I201 F202 A252 T256 D275 A608 M611 A612 K615	T200-V254 PolarHBondContact O-N 3.17Å; T200-V254 VanDerWaalsContact O-N 3.14Å; I201-V254 CarbonylContact C-O 3.53Å; I201-V254 VanDerWaalsContact CA-O 3.3Å; I201-V254 WeakPolarHBondContact CA-O 3.4Å; I201-V254 HydrophobicContact CG1-CB 4.33Å; I201-V254 HydrophobicContact CG2-CB 4.41Å; I201-V254 HydrophobicContact CG2-CG1 4.45Å; F202-V254 PolarHBondContact N-O 2.99Å; A252-V254 VanDerWaalsContact C-N 3.31Å; A252-V254 VanDerWaalsContact CB-O 3.29Å; A252-V254 WeakPolarHBondContact CB-O 3.27Å; V254-T256 HydrophobicContact CG1-CG2 3.85Å; V254-D275 WeakPolarHBondContact CA-OD2 3.27Å; V254-D275 HydrophobicContact CG1-CB 4.02Å; V254-A608 HydrophobicContact CG1-CB 4.28Å; V254-M611 HydrophobicContact CG1-SD 4.07Å; V254-M611 HydrophobicContact CG2-CB 3.9Å; V254-M611 HydrophobicContact CG2-CG 3.67Å; V254-M611 HydrophobicContact CG2-SD 3.78Å; V254-A612 HydrophobicContact CB-CB 4.32Å; V254-A612 HydrophobicContact CG2-CB 3.72Å; V254-K615 HydrophobicContact CG2-CD 4.13Å
255	F	98.7	Very high	97.2	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	128.5	175	174.4	-134.5	0	0	0	109.7	F202 T204 A249 T257 A266 L270 R272 P274 D275	F202-F255 HydrophobicContact CB-CD2 4.35Å; F202-F255 AromaticContact CD1-CD2 3.62Å; F202-F255 HydrophobicContact CD1-CD2 3.62Å; F202-F255 AromaticContact CD1-CE2 3.61Å; F202-F255 HydrophobicContact CD1-CE2 3.61Å; F202-F255 HydrophobicContact CE1-CD2 4.46Å; F202-F255 HydrophobicContact CE1-CE2 4.01Å; F202-F255 HydrophobicContact CG-CD2 4.44Å; F202-F255 CarbonylContact O-C 3.56Å; F202-F255 WeakPolarHBondContact O-CA 3.49Å; F202-F255 WeakPolarHBondContact O-CD2 3.43Å; T204-F255 HydrophobicContact CG2-CE2 3.61Å; T204-F255 HydrophobicContact CG2-CZ 3.7Å; A249-F255 HydrophobicContact CB-CD2 4.14Å; A249-F255 HydrophobicContact CB-CE1 4.44Å; A249-F255 HydrophobicContact CB-CE2 3.97Å; A249-F255 HydrophobicContact CB-CG 4.47Å; A249-F255 HydrophobicContact CB-CZ 4.15Å; F255-T257 HydrophobicContact CZ-CG2 4.1Å; F255-A266 HydrophobicContact CE1-CB 3.88Å; F255-A266 HydrophobicContact CZ-CB 3.8Å; F255-L270 HydrophobicContact CE2-CD1 4.49Å; F255-L270 HydrophobicContact CZ-CD1 3.86Å; F255-R272 VanDerWaalsContact CB-CZ 3.49Å; F255-R272 VanDerWaalsContact CB-NE 3.33Å; F255-R272 HydrophobicContact CD1-CB 4.24Å; F255-R272 HydrophobicContact CD1-CG 3.88Å; F255-R272 HydrophobicContact CE1-CB 4.47Å; F255-R272 WeakPolarHBondContact CE1-O 3.14Å; F255-P274 HydrophobicContact CD1-CB 4.06Å; F255-P274 HydrophobicContact CD1-CG 4.02Å; F255-P274 HydrophobicContact CE1-CB 4.19Å; F255-P274 HydrophobicContact CE1-CG 3.65Å; F255-P274 HydrophobicContact CZ-CG 4.26Å; F255-P274 CarbonylContact O-C 3.47Å; F255-P274 WeakPolarHBondContact O-CA 3.32Å; F255-D275 PolarHBondContact N-OD2 2.7Å; F255-D275 PolarHBondContact O-N 3.29Å
256	T	98.4	Very high	97.1	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	154.5	179.8	77.1	0	0	0	0	112.6	I201 F202 T203 T204 V254 I276 T278 A608	I201-T256 HydrophobicContact CG2-CG2 4.26Å; F202-T256 PolarHBondContact O-N 3.07Å; T203-T256 WeakPolarHBondContact CA-O 3.19Å; T203-T256 WeakPolarHBondContact CB-OG1 3.2Å; T203-T256 WeakPolarHBondContact CG2-OG1 3.44Å; T203-T256 PolarHBondContact OG1-OG1 2.93Å; T204-T256 PolarHBondContact N-O 3.04Å; V254-T256 HydrophobicContact CG1-CG2 3.85Å; T256-I276 WeakPolarHBondContact CA-O 3.47Å; T256-I276 WeakPolarHBondContact CB-O 3.36Å; T256-I276 HydrophobicContact CG2-CB 4.14Å; T256-T278 HydrophobicContact CG2-CG2 4.14Å; T256-T278 PolarHBondContact OG1-OG1 3.22Å; T256-A608 HydrophobicContact CG2-CB 4.01Å
257	T	98.3	Very high	97.1	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	161.8	169.7	56.7	0	0	0	0	109.8	T204 F255 S259 T262 A263 A266 P274 I276 V277 T278	T204-T257 HydrophobicContact CG2-CG2 3.63Å; T204-T257 WeakPolarHBondContact O-CA 3.42Å; F255-T257 HydrophobicContact CZ-CG2 4.1Å; T257-S259 VanDerWaalsContact C-N 3.35Å; T257-S259 PolarHBondContact OG1-O 3.37Å; T257-S259 VanDerWaalsContact OG1-O 3.08Å; T257-T262 HydrophobicContact CG2-CG2 4.02Å; T257-A263 WeakPolarHBondContact OG1-CB 3.41Å; T257-A263 PolarHBondContact OG1-N 2.9Å; T257-A266 HydrophobicContact CG2-CB 3.98Å; T257-P274 HydrophobicContact CG2-CB 4.15Å; T257-P274 HydrophobicContact CG2-CG 3.41Å; T257-P274 VanDerWaalsContact CG2-CG 3.41Å; T257-I276 PolarHBondContact N-O 3.08Å; T257-V277 CarbonylContact O-C 3.54Å; T257-V277 VanDerWaalsContact O-CA 3.32Å; T257-V277 WeakPolarHBondContact O-CA 3.36Å; T257-T278 PolarHBondContact O-N 2.78Å; T257-T278 PolarHBondContact O-OG1 3.32Å
258	V	96.8	Very high	97	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.006	10%	0.104	C	C	.	.	S	Bend	trans	-84	-7.6	-178.7	-62.5	0	0	0	0	114.9	T203 H205 T278 P279 N280 P511 W512	T203-V258 HydrophobicContact CG2-CG1 4.31Å; H205-V258 HydrophobicContact CB-CG1 4.41Å; H205-V258 WeakPolarHBondContact ND1-CG1 3.43Å; V258-T278 WeakPolarHBondContact CA-O 3.36Å; V258-P279 WeakPolarHBondContact O-CA 3.08Å; V258-N280 WeakPolarHBondContact CB-ND2 3.22Å; V258-P511 HydrophobicContact CG2-CB 4.33Å; V258-W512 HydrophobicContact CG2-CB 4.3Å
259	S	95.7	Very high	97	Very high	3 Å²	3	21.4 Å²	21.4	2%	0.021	10%	0.104	C	C	.	.	S	Bend	trans	-156.2	164.5	176.8	70.3	0	0	0	0	112.2	T257 I261 T262 A263 P511	T257-S259 VanDerWaalsContact C-N 3.35Å; T257-S259 PolarHBondContact OG1-O 3.37Å; T257-S259 VanDerWaalsContact OG1-O 3.08Å; S259-I261 WeakPolarHBondContact OG-CG2 3.26Å; S259-T262 PolarHBondContact O-N 3.49Å; S259-T262 WeakPolarHBondContact OG-CB 3.48Å; S259-T262 PolarHBondContact OG-N 3.49Å; S259-T262 PolarHBondContact OG-OG1 3.19Å; S259-T262 VanDerWaalsContact OG-OG1 3.05Å; S259-A263 WeakPolarHBondContact O-CB 3.41Å; S259-A263 PolarHBondContact O-N 3.5Å; S259-P511 WeakPolarHBondContact CB-O 3.45Å; S259-P511 PolarHBondContact OG-O 3Å
260	Q	92.1	Very high	97	Very high	94 Å²	94	21.4 Å²	21.4	44%	0.439	10%	0.104	S	C	.	.	H	α-helix	trans	-66.6	-36.3	176.2	-170.2	59.5	21.2	0	0	112.4	A263 I264	Q260-A263 WeakPolarHBondContact O-CB 3.39Å; Q260-A263 PolarHBondContact O-N 3.02Å; Q260-I264 WeakPolarHBondContact O-CG1 3.19Å; Q260-I264 PolarHBondContact O-N 2.96Å; Q260-I264 VanDerWaalsContact O-N 3.08Å
261	I	93.9	Very high	97	Very high	2 Å²	2	21.4 Å²	21.4	1%	0.01	10%	0.103	C	C	.	.	H	α-helix	trans	-67.4	-40.1	177.8	-168.2	63.8	0	0	0	111.1	Y221 S259 A263 I264 E265 L531	Y221-I261 HydrophobicContact CD1-CD1 3.87Å; Y221-I261 HydrophobicContact CD1-CG1 4.27Å; Y221-I261 HydrophobicContact CE1-CD1 3.69Å; Y221-I261 HydrophobicContact CE1-CG1 3.56Å; S259-I261 WeakPolarHBondContact OG-CG2 3.26Å; I261-A263 VanDerWaalsContact C-N 3.29Å; I261-A263 PolarHBondContact O-N 3.42Å; I261-I264 PolarHBondContact O-N 3.46Å; I261-E265 PolarHBondContact O-N 3.05Å; I261-E265 VanDerWaalsContact O-N 3.11Å; I261-L531 HydrophobicContact CD1-CD2 4.04Å
262	T	96.6	Very high	96.9	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.006	10%	0.102	C	C	.	.	H	α-helix	trans	-69.3	-28	172.7	-56	0	0	0	0	111.8	T257 S259 E265 A266 P511	T257-T262 HydrophobicContact CG2-CG2 4.02Å; S259-T262 PolarHBondContact O-N 3.49Å; S259-T262 WeakPolarHBondContact OG-CB 3.48Å; S259-T262 PolarHBondContact OG-N 3.49Å; S259-T262 PolarHBondContact OG-OG1 3.19Å; S259-T262 VanDerWaalsContact OG-OG1 3.05Å; T262-E265 WeakPolarHBondContact O-CB 3.49Å; T262-E265 PolarHBondContact O-N 3.29Å; T262-A266 WeakPolarHBondContact O-CB 3.39Å; T262-A266 PolarHBondContact O-N 2.72Å; T262-P511 WeakPolarHBondContact OG1-CA 2.94Å
263	A	96.5	Very high	96.9	Very high	7 Å²	7	28.8 Å²	28.8	6%	0.058	13%	0.13	C	C	.	.	H	α-helix	trans	-64.7	-44.9	173.7	0	0	0	0	0	112.3	T257 S259 Q260 I261 E265 A266 E267 P274 V277	T257-A263 WeakPolarHBondContact OG1-CB 3.41Å; T257-A263 PolarHBondContact OG1-N 2.9Å; S259-A263 WeakPolarHBondContact O-CB 3.41Å; S259-A263 PolarHBondContact O-N 3.5Å; Q260-A263 WeakPolarHBondContact O-CB 3.39Å; Q260-A263 PolarHBondContact O-N 3.02Å; I261-A263 VanDerWaalsContact C-N 3.29Å; I261-A263 PolarHBondContact O-N 3.42Å; A263-E265 VanDerWaalsContact C-N 3.32Å; A263-E265 PolarHBondContact O-N 2.64Å; A263-A266 PolarHBondContact O-N 3.25Å; A263-E267 PolarHBondContact O-N 3.24Å; A263-P274 HydrophobicContact CB-CG 3.8Å; A263-V277 HydrophobicContact CB-CG2 4.19Å
264	I	95.6	Very high	96.9	Very high	31 Å²	31	27.9 Å²	27.9	16%	0.159	13%	0.128	C	C	.	.	H	α-helix	trans	-60.1	-47.1	174.7	-65.2	166.8	0	0	0	109.6	L224 Q260 I261 A266 E267 F268	L224-I264 HydrophobicContact CD1-CG2 3.97Å; Q260-I264 WeakPolarHBondContact O-CG1 3.19Å; Q260-I264 PolarHBondContact O-N 2.96Å; Q260-I264 VanDerWaalsContact O-N 3.08Å; I261-I264 PolarHBondContact O-N 3.46Å; I264-A266 PolarHBondContact O-N 2.96Å; I264-E267 WeakPolarHBondContact O-CB 3.22Å; I264-E267 PolarHBondContact O-N 2.88Å; I264-F268 HydrophobicContact CG2-CD2 4.23Å; I264-F268 HydrophobicContact CG2-CE2 4.07Å; I264-F268 WeakPolarHBondContact O-CD2 3.36Å; I264-F268 PolarHBondContact O-N 3.46Å
265	E	95.5	Very high	96.7	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.005	14%	0.143	C	C	.	.	H	α-helix	trans	-58.1	-47.6	177.1	179.5	-174.3	159.7	0	0	112.6	T207 G210 F220 I261 T262 A263 E267 F268 L269 Y509	T207-E265 VanDerWaalsContact CB-OE1 3.27Å; T207-E265 WeakPolarHBondContact CB-OE1 2.75Å; T207-E265 HydrophobicContact CG2-CG 3.78Å; T207-E265 WeakPolarHBondContact CG2-OE1 3.46Å; T207-E265 PolarHBondContact OG1-OE1 3.42Å; G210-E265 VanDerWaalsContact CA-OE1 3.27Å; G210-E265 WeakPolarHBondContact CA-OE1 3.48Å; F220-E265 HydrophobicContact CE1-CG 4.31Å; F220-E265 HydrophobicContact CZ-CG 3.88Å; I261-E265 PolarHBondContact O-N 3.05Å; I261-E265 VanDerWaalsContact O-N 3.11Å; T262-E265 WeakPolarHBondContact O-CB 3.49Å; T262-E265 PolarHBondContact O-N 3.29Å; A263-E265 VanDerWaalsContact C-N 3.32Å; A263-E265 PolarHBondContact O-N 2.64Å; E265-E267 VanDerWaalsContact C-N 3.31Å; E265-E267 PolarHBondContact O-N 3.29Å; E265-F268 PolarHBondContact O-N 2.9Å; E265-L269 HydrophobicContact CG-CD1 3.58Å; E265-L269 HydrophobicContact CG-CG 4.2Å; E265-L269 WeakPolarHBondContact O-CB 3.31Å; E265-L269 WeakPolarHBondContact O-CG 3.42Å; E265-L269 PolarHBondContact O-N 3.18Å; E265-Y509 PolarHBondContact OE1-OH 3.13Å; E265-Y509 WeakPolarHBondContact OE2-CE2 3.43Å
266	A	97.6	Very high	96.5	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-63	-36.5	179.4	0	0	0	0	0	112.5	T207 F255 T257 T262 A263 I264 F268 L270 K271 R272 P274	T207-A266 HydrophobicContact CG2-CB 4.4Å; F255-A266 HydrophobicContact CE1-CB 3.88Å; F255-A266 HydrophobicContact CZ-CB 3.8Å; T257-A266 HydrophobicContact CG2-CB 3.98Å; T262-A266 WeakPolarHBondContact O-CB 3.39Å; T262-A266 PolarHBondContact O-N 2.72Å; A263-A266 PolarHBondContact O-N 3.25Å; I264-A266 PolarHBondContact O-N 2.96Å; A266-F268 VanDerWaalsContact C-N 3.29Å; A266-F268 PolarHBondContact O-N 3.09Å; A266-L270 HydrophobicContact CB-CD1 4.14Å; A266-L270 HydrophobicContact CB-CG 4.48Å; A266-L270 CarbonylContact O-C 3.51Å; A266-L270 VanDerWaalsContact O-CA 3.3Å; A266-L270 WeakPolarHBondContact O-CA 3.44Å; A266-L270 VanDerWaalsContact O-CB 3.28Å; A266-L270 WeakPolarHBondContact O-CB 3.46Å; A266-L270 PolarHBondContact O-N 3.46Å; A266-K271 PolarHBondContact O-N 3.47Å; A266-R272 CarbonylContact C-O 3.56Å; A266-P274 HydrophobicContact CB-CG 4.23Å
267	E	97.6	Very high	96.3	Very high	85 Å²	85	33.4 Å²	33.4	40%	0.397	16%	0.158	S	C	.	.	H	α-helix	trans	-57.1	-44	174.7	-174.6	174.5	167.4	0	0	111.3	A263 I264 E265 K271 K273	A263-E267 PolarHBondContact O-N 3.24Å; I264-E267 WeakPolarHBondContact O-CB 3.22Å; I264-E267 PolarHBondContact O-N 2.88Å; E265-E267 VanDerWaalsContact C-N 3.31Å; E265-E267 PolarHBondContact O-N 3.29Å; E267-K271 VanDerWaalsContact O-CA 3.23Å; E267-K271 WeakPolarHBondContact O-CA 3.37Å; E267-K271 PolarHBondContact O-N 3.44Å; E267-K273 HydrophobicContact CG-CB 4.25Å
268	F	97.1	Very high	96.2	Very high	72 Å²	72	33.4 Å²	33.4	32%	0.316	16%	0.158	S	C	.	.	H	α-helix	trans	-83.6	-38.5	179.8	-69.9	-75.2	0	0	0	114	L224 A225 I264 E265 A266 K271	L224-F268 HydrophobicContact CB-CB 4.07Å; L224-F268 HydrophobicContact CB-CD2 3.88Å; L224-F268 HydrophobicContact CB-CG 3.93Å; L224-F268 HydrophobicContact CD1-CD2 4.12Å; A225-F268 HydrophobicContact CB-CD1 4.09Å; A225-F268 HydrophobicContact CB-CE1 3.85Å; I264-F268 HydrophobicContact CG2-CD2 4.23Å; I264-F268 HydrophobicContact CG2-CE2 4.07Å; I264-F268 WeakPolarHBondContact O-CD2 3.36Å; I264-F268 PolarHBondContact O-N 3.46Å; E265-F268 PolarHBondContact O-N 2.9Å; A266-F268 VanDerWaalsContact C-N 3.29Å; A266-F268 PolarHBondContact O-N 3.09Å; F268-K271 VanDerWaalsContact O-CD 3.22Å; F268-K271 WeakPolarHBondContact O-CD 3.17Å; F268-K271 WeakPolarHBondContact O-CE 3.5Å; F268-K271 PolarHBondContact O-NZ 2.88Å
269	L	97.4	Very high	96	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-89.8	-40	-173.5	-61.2	-175.3	0	0	0	112.7	T207 L209 F220 V229 Y242 E265	T207-L269 VanDerWaalsContact OG1-CD1 3.31Å; T207-L269 WeakPolarHBondContact OG1-CD1 3.33Å; L209-L269 HydrophobicContact CB-CD1 3.95Å; F220-L269 HydrophobicContact CE2-CD1 3.99Å; F220-L269 HydrophobicContact CZ-CD1 3.86Å; V229-L269 HydrophobicContact CG1-CD2 3.94Å; Y242-L269 WeakPolarHBondContact CE2-O 3.39Å; Y242-L269 PolarHBondContact OH-O 3.05Å; E265-L269 HydrophobicContact CG-CD1 3.58Å; E265-L269 HydrophobicContact CG-CG 4.2Å; E265-L269 WeakPolarHBondContact O-CB 3.31Å; E265-L269 WeakPolarHBondContact O-CG 3.42Å; E265-L269 PolarHBondContact O-N 3.18Å
270	L	98.1	Very high	96	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-6.9	178.4	-54.9	-179.4	0	0	0	112.5	T204 T207 Y242 E245 R246 A249 H250 F255 A266 R272	T204-L270 HydrophobicContact CG2-CD1 4.28Å; T207-L270 HydrophobicContact CG2-CD1 4.16Å; T207-L270 HydrophobicContact CG2-CG 4.26Å; Y242-L270 HydrophobicContact CE2-CD2 4.2Å; E245-L270 HydrophobicContact CB-CD2 4.47Å; E245-L270 HydrophobicContact CG-CD1 4.24Å; E245-L270 HydrophobicContact CG-CD2 3.79Å; E245-L270 WeakPolarHBondContact OE2-CD2 3.21Å; R246-L270 HydrophobicContact CB-CD2 4.39Å; A249-L270 HydrophobicContact CB-CB 4.38Å; A249-L270 HydrophobicContact CB-CD1 4.18Å; H250-L270 PolarHBondContact CD2-O 2.78Å; H250-L270 PolarHBondContact NE2-O 3.33Å; F255-L270 HydrophobicContact CE2-CD1 4.49Å; F255-L270 HydrophobicContact CZ-CD1 3.86Å; A266-L270 HydrophobicContact CB-CD1 4.14Å; A266-L270 HydrophobicContact CB-CG 4.48Å; A266-L270 CarbonylContact O-C 3.51Å; A266-L270 VanDerWaalsContact O-CA 3.3Å; A266-L270 WeakPolarHBondContact O-CA 3.44Å; A266-L270 VanDerWaalsContact O-CB 3.28Å; A266-L270 WeakPolarHBondContact O-CB 3.46Å; A266-L270 PolarHBondContact O-N 3.46Å; L270-R272 PolarHBondContact O-N 3.37Å
271	K	97.6	Very high	95.9	Very high	88 Å²	88	29.1 Å²	29.1	38%	0.383	14%	0.138	S	C	.	.	S	Bend	trans	60.4	27.8	176.9	-47.4	-59.8	-179.1	-172.8	0	113	H250 A266 E267 F268	H250-K271 PolarHBondContact CE1-O 3.06Å; H250-K271 VanDerWaalsContact CE1-O 3.27Å; H250-K271 PolarHBondContact NE2-O 3.48Å; A266-K271 PolarHBondContact O-N 3.47Å; E267-K271 VanDerWaalsContact O-CA 3.23Å; E267-K271 WeakPolarHBondContact O-CA 3.37Å; E267-K271 PolarHBondContact O-N 3.44Å; F268-K271 VanDerWaalsContact O-CD 3.22Å; F268-K271 WeakPolarHBondContact O-CD 3.17Å; F268-K271 WeakPolarHBondContact O-CE 3.5Å; F268-K271 PolarHBondContact O-NZ 2.88Å
272	R	97.6	Very high	95.6	Very high	45 Å²	45	29.8 Å²	29.8	17%	0.17	14%	0.142	C	C	.	.	S	Bend	trans	-143	125.7	173.1	-177.7	-177.7	171.3	162.6	-1.8	108.2	A249 H250 A252 H253 F255 A266 L270 D275	A249-R272 WeakPolarHBondContact O-CD 3.47Å; A249-R272 PolarHBondContact O-NH1 2.95Å; H250-R272 PolarHBondContact O-NH1 2.9Å; A252-R272 PolarHBondContact O-NH1 2.83Å; A252-R272 PolarHBondContact O-NH2 3.5Å; H253-R272 PolarHBondContact O-NH2 2.91Å; F255-R272 VanDerWaalsContact CB-CZ 3.49Å; F255-R272 VanDerWaalsContact CB-NE 3.33Å; F255-R272 HydrophobicContact CD1-CB 4.24Å; F255-R272 HydrophobicContact CD1-CG 3.88Å; F255-R272 HydrophobicContact CE1-CB 4.47Å; F255-R272 WeakPolarHBondContact CE1-O 3.14Å; A266-R272 CarbonylContact C-O 3.56Å; L270-R272 PolarHBondContact O-N 3.37Å; R272-D275 IonicContact CZ-OD2 2.79Å; R272-D275 IonicContact NH2-OD2 3.89Å; R272-D275 PolarHBondContact NH2-OD2 3.04Å
273	K	97.6	Very high	95	Very high	142 Å²	142	32 Å²	32	62%	0.617	15%	0.153	S	C	*	.			trans	-71.4	131.8	170.6	-174.2	177.6	176.6	-178.9	0	109.2	E267	E267-K273 HydrophobicContact CG-CB 4.25Å
274	P	97.4	Very high	94.2	Very high	14 Å²	14	32.5 Å²	32.5	9%	0.091	16%	0.156	C	C	.	.			trans	-61.2	144	173.5	-21	32.5	0	0	0	111.9	F255 T257 A263 A266	F255-P274 HydrophobicContact CD1-CB 4.06Å; F255-P274 HydrophobicContact CD1-CG 4.02Å; F255-P274 HydrophobicContact CE1-CB 4.19Å; F255-P274 HydrophobicContact CE1-CG 3.65Å; F255-P274 HydrophobicContact CZ-CG 4.26Å; F255-P274 CarbonylContact O-C 3.47Å; F255-P274 WeakPolarHBondContact O-CA 3.32Å; T257-P274 HydrophobicContact CG2-CB 4.15Å; T257-P274 HydrophobicContact CG2-CG 3.41Å; T257-P274 VanDerWaalsContact CG2-CG 3.41Å; A263-P274 HydrophobicContact CB-CG 3.8Å; A266-P274 HydrophobicContact CB-CG 4.23Å
275	D	94.9	Very high	93	Very high	62 Å²	62	39.1 Å²	39.1	33%	0.332	18%	0.183	S	C	.	.	S	Bend	trans	-72.9	-43.9	175.5	-63.5	-85.6	0	0	0	110.7	V254 F255 R272 M611 K615	V254-D275 WeakPolarHBondContact CA-OD2 3.27Å; V254-D275 HydrophobicContact CG1-CB 4.02Å; F255-D275 PolarHBondContact N-OD2 2.7Å; F255-D275 PolarHBondContact O-N 3.29Å; R272-D275 IonicContact CZ-OD2 2.79Å; R272-D275 IonicContact NH2-OD2 3.89Å; R272-D275 PolarHBondContact NH2-OD2 3.04Å; D275-M611 HydrophobicContact CB-CE 4.45Å; D275-M611 HydrophobicContact CB-SD 3.75Å; D275-K615 IonicContact OD1-NZ 2.79Å; D275-K615 PolarHBondContact OD1-NZ 2.86Å; D275-K615 IonicContact OD2-NZ 3.71Å
276	I	93.5	Very high	91.3	Very high	21 Å²	21	44.3 Å²	44.3	11%	0.108	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	144.3	-178.1	-68.6	166.2	0	0	0	109.8	T256 T257 T278 A607 A608 M611	T256-I276 WeakPolarHBondContact CA-O 3.47Å; T256-I276 WeakPolarHBondContact CB-O 3.36Å; T256-I276 HydrophobicContact CG2-CB 4.14Å; T257-I276 PolarHBondContact N-O 3.08Å; I276-T278 HydrophobicContact CG2-CG2 4.1Å; I276-A607 HydrophobicContact CD1-CB 4.11Å; I276-A608 HydrophobicContact CD1-CB 4.09Å; I276-M611 HydrophobicContact CD1-CE 3.62Å; I276-M611 HydrophobicContact CD1-SD 4.21Å; I276-M611 HydrophobicContact CG1-CE 3.93Å
277	V	94.8	Very high	89.2	Confident	32 Å²	32	47.9 Å²	47.9	19%	0.194	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	129.7	165.1	176.3	0	0	0	0	108.6	T257 A263 P279 Y604	T257-V277 CarbonylContact O-C 3.54Å; T257-V277 VanDerWaalsContact O-CA 3.32Å; T257-V277 WeakPolarHBondContact O-CA 3.36Å; A263-V277 HydrophobicContact CB-CG2 4.19Å; V277-P279 HydrophobicContact CG1-CG 4.25Å; V277-P279 WeakPolarHBondContact O-CD 3.37Å; V277-Y604 WeakPolarHBondContact O-CD1 3.44Å
278	T	95.4	Very high	86.7	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.249	C	C	.	.			trans	-115.5	82.7	179.3	52.9	0	0	0	0	109.9	T256 T257 V258 I276 Y605 A608	T256-T278 HydrophobicContact CG2-CG2 4.14Å; T256-T278 PolarHBondContact OG1-OG1 3.22Å; T257-T278 PolarHBondContact O-N 2.78Å; T257-T278 PolarHBondContact O-OG1 3.32Å; V258-T278 WeakPolarHBondContact CA-O 3.36Å; I276-T278 HydrophobicContact CG2-CG2 4.1Å; T278-Y605 HydrophobicContact CG2-CD2 4.24Å; T278-Y605 HydrophobicContact CG2-CE2 4.33Å; T278-A608 HydrophobicContact CG2-CB 4.49Å
279	P	94.3	Very high	84.5	Confident	5 Å²	5	48.5 Å²	48.5	3%	0.032	25%	0.246	C	C	.	.			trans	-59.6	146.1	-178.7	-17.6	30.2	0	0	0	111.8	V258 V277 G281 W512 F537 L601 Y604	V258-P279 WeakPolarHBondContact O-CA 3.08Å; V277-P279 HydrophobicContact CG1-CG 4.25Å; V277-P279 WeakPolarHBondContact O-CD 3.37Å; P279-G281 PolarHBondContact O-N 3.01Å; P279-W512 HydrophobicContact CB-CH2 3.54Å; P279-W512 HydrophobicContact CB-CZ2 4.32Å; P279-W512 HydrophobicContact CB-CZ3 3.66Å; P279-F537 HydrophobicContact CB-CD2 4.2Å; P279-F537 HydrophobicContact CB-CE2 4.37Å; P279-F537 HydrophobicContact CG-CD2 4.02Å; P279-F537 HydrophobicContact CG-CE2 4.13Å; P279-L601 HydrophobicContact CB-CD1 4.33Å; P279-L601 HydrophobicContact CB-CD2 4.04Å; P279-L601 HydrophobicContact CG-CD2 4.25Å; P279-Y604 HydrophobicContact CG-CD2 4.26Å; P279-Y604 HydrophobicContact CG-CE2 4.24Å
280	N	94	Very high	82.8	Confident	3 Å²	3	53.9 Å²	53.9	2%	0.016	27%	0.273	C	S	.	.			trans	-83.8	121.2	-178.6	-56	-59.2	0	0	0	111	V46 V258 W512 Y514	V46-N280 HydrophobicContact CG2-CB 4.29Å; V46-N280 WeakPolarHBondContact CG2-OD1 3.26Å; V258-N280 WeakPolarHBondContact CB-ND2 3.22Å; N280-W512 HydrophobicContact CB-CD2 4.2Å; N280-W512 HydrophobicContact CB-CG 4.04Å; N280-W512 WeakPolarHBondContact ND2-CB 3.3Å; N280-W512 VanDerWaalsContact ND2-CG 3.31Å; N280-W512 VanDerWaalsContact O-CE2 3.24Å; N280-W512 WeakPolarHBondContact O-CZ2 3.42Å; N280-W512 PolarHBondContact O-NE1 3.38Å; N280-Y514 HydrophobicContact CB-CE1 3.77Å; N280-Y514 VanDerWaalsContact CB-OH 3.31Å; N280-Y514 WeakPolarHBondContact CB-OH 2.96Å; N280-Y514 PolarHBondContact ND2-OH 2.94Å
281	G	91.3	Very high	81.6	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	30%	0.299	C	S	.	.			trans	-88.1	178	172.6	0	0	0	0	0	114.5	P279 L596 W598	P279-G281 PolarHBondContact O-N 3.01Å; G281-L596 CarbonylContact C-O 3.57Å; G281-L596 WeakPolarHBondContact CA-O 3.4Å; G281-W598 VanDerWaalsContact C-NE1 3.26Å; G281-W598 VanDerWaalsContact O-CE2 3.27Å; G281-W598 WeakPolarHBondContact O-CZ2 3.36Å; G281-W598 PolarHBondContact O-NE1 2.96Å; G281-W598 VanDerWaalsContact O-NE1 3.09Å
282	L	88.2	Confident	80.9	Confident	17 Å²	17	59.2 Å²	59.2	9%	0.089	30%	0.298	C	S	.	.	B	Isolated β-bridge	trans	-132.1	159.5	173.9	-66.4	171.1	0	0	0	109.2	V284 Y514 A517 E518 V521 L596 D597 W598	L282-V284 PolarHBondContact O-N 2.87Å; L282-Y514 HydrophobicContact CD2-CD1 4.39Å; L282-A517 HydrophobicContact CD1-CB 4.01Å; L282-E518 HydrophobicContact CD1-CG 4.03Å; L282-V521 HydrophobicContact CD1-CG2 3.97Å; L282-L596 PolarHBondContact N-O 3.14Å; L282-D597 WeakPolarHBondContact O-CA 3.46Å; L282-W598 PolarHBondContact O-N 2.91Å
283	N	83.2	Confident	80.3	Confident	46 Å²	46	57.4 Å²	57.4	25%	0.246	29%	0.292	C	S	.	.			trans	-85.1	104.8	169.2	-71.5	-19.2	0	0	0	108.8	T49 K285	T49-N283 VanDerWaalsContact O-CG 3.32Å; T49-N283 PolarHBondContact O-ND2 3.24Å; T49-N283 PolarHBondContact O-OD1 2.95Å; N283-K285 PolarHBondContact O-N 3.41Å
284	V	79.8	Confident	79.8	Confident	19 Å²	19	52 Å²	52	12%	0.115	27%	0.269	C	S	.	.			trans	-83.1	108.4	179.1	-177.8	0	0	0	0	109.1	L282 K286 V521 D597	L282-V284 PolarHBondContact O-N 2.87Å; V284-K286 PolarHBondContact O-N 2.88Å; V284-K286 VanDerWaalsContact O-N 3.14Å; V284-V521 HydrophobicContact CG1-CG1 4.22Å; V284-V521 HydrophobicContact CG2-CG1 4.11Å; V284-V521 HydrophobicContact CG2-CG2 3.92Å; V284-D597 HydrophobicContact CB-CB 4.38Å; V284-D597 VanDerWaalsContact CB-OD2 3.26Å; V284-D597 WeakPolarHBondContact CB-OD2 3.28Å; V284-D597 HydrophobicContact CG2-CB 3.91Å; V284-D597 WeakPolarHBondContact CG2-OD2 3.43Å; V284-D597 PolarHBondContact N-OD2 3.44Å
285	K	69.7	Low	79.5	Confident	169 Å²	169	55.4 Å²	55.4	74%	0.735	29%	0.286	S	S	*	.			trans	-74	103.4	170.4	-68.7	-176.3	-178.3	176.6	0	108.8	N283 F287	N283-K285 PolarHBondContact O-N 3.41Å; K285-F287 PolarHBondContact O-N 2.92Å
286	K	59.3	Low	79.4	Confident	110 Å²	110	54.5 Å²	54.5	48%	0.478	28%	0.281	S	S	.	.			trans	-69.9	121	172	-62.5	-162.5	177.6	-157.5	0	109.4	S11 V284 D594	S11-K286 PolarHBondContact OG-NZ 3.22Å; V284-K286 PolarHBondContact O-N 2.88Å; V284-K286 VanDerWaalsContact O-N 3.14Å; K286-D594 WeakPolarHBondContact CE-OD1 3.48Å; K286-D594 IonicContact NZ-OD1 3.99Å; K286-D594 PolarHBondContact NZ-OD1 3.03Å; K286-D594 IonicContact NZ-OD2 2.77Å; K286-D594 PolarHBondContact NZ-OD2 3.34Å
287	F	54.6	Low	79.4	Confident	76 Å²	76	54.1 Å²	54.1	33%	0.333	28%	0.279	S	S	.	.			trans	-71.2	143.4	170.4	-65.5	-80.4	0	0	0	109.5	K285 A289 E292 L296	K285-F287 PolarHBondContact O-N 2.92Å; F287-A289 PolarHBondContact O-N 2.91Å; F287-E292 HydrophobicContact CB-CB 4.25Å; F287-E292 HydrophobicContact CD1-CB 4.41Å; F287-E292 VanDerWaalsContact CD1-CD 3.49Å; F287-E292 HydrophobicContact CD1-CG 4.13Å; F287-E292 VanDerWaalsContact CD1-OE2 3.29Å; F287-E292 WeakPolarHBondContact CD1-OE2 3.42Å; F287-E292 HydrophobicContact CG-CB 4.33Å; F287-L296 HydrophobicContact CE1-CD1 4.13Å; F287-L296 HydrophobicContact CZ-CD1 3.94Å
288	S	44.6	Very low	79.4	Confident	138 Å²	138	54.8 Å²	54.8	97%	0.965	29%	0.288	S	S	*	.	S	Bend	trans	-63.1	-20.5	176.6	-57.1	0	0	0	0	112.6
289	A	51.3	Low	79.4	Confident	32 Å²	32	60.4 Å²	60.4	26%	0.264	31%	0.314	S	S	.	.	S	Bend	trans	-127.4	119.2	176	0	0	0	0	0	110.9	F287 H291 E292	F287-A289 PolarHBondContact O-N 2.91Å; A289-H291 PolarHBondContact O-N 3.31Å; A289-H291 VanDerWaalsContact O-N 3.1Å; A289-E292 VanDerWaalsContact O-CB 3.26Å; A289-E292 WeakPolarHBondContact O-CB 3.48Å; A289-E292 PolarHBondContact O-N 2.73Å
290	M	61	Low	79.6	Confident	113 Å²	113	60.5 Å²	60.5	56%	0.557	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-23.6	-177.5	-72	-153.2	-173.2	0	0	114.2	E292 F293	M290-E292 VanDerWaalsContact C-N 3.32Å; M290-E292 PolarHBondContact O-N 3.45Å; M290-F293 WeakPolarHBondContact O-CD1 3.2Å; M290-F293 WeakPolarHBondContact O-CE1 3.44Å
291	H	74.6	Confident	79.7	Confident	121 Å²	121	61.4 Å²	61.4	56%	0.56	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-4	178.9	59.4	-90.5	0	0	0	113.8	A289 F293 Q294 N295	A289-H291 PolarHBondContact O-N 3.31Å; A289-H291 VanDerWaalsContact O-N 3.1Å; H291-F293 PolarHBondContact O-N 3.4Å; H291-Q294 PolarHBondContact O-N 3.47Å; H291-N295 PolarHBondContact O-N 2.76Å
292	E	82.8	Confident	80	Confident	78 Å²	78	65.6 Å²	65.6	36%	0.364	34%	0.341	S	S	.	.	H	α-helix	trans	-64.1	-39.6	-177.1	-171.6	172.9	179.5	0	0	112.1	F287 A289 M290 Q294 N295 L296	F287-E292 HydrophobicContact CB-CB 4.25Å; F287-E292 HydrophobicContact CD1-CB 4.41Å; F287-E292 VanDerWaalsContact CD1-CD 3.49Å; F287-E292 HydrophobicContact CD1-CG 4.13Å; F287-E292 VanDerWaalsContact CD1-OE2 3.29Å; F287-E292 WeakPolarHBondContact CD1-OE2 3.42Å; F287-E292 HydrophobicContact CG-CB 4.33Å; A289-E292 VanDerWaalsContact O-CB 3.26Å; A289-E292 WeakPolarHBondContact O-CB 3.48Å; A289-E292 PolarHBondContact O-N 2.73Å; M290-E292 VanDerWaalsContact C-N 3.32Å; M290-E292 PolarHBondContact O-N 3.45Å; E292-Q294 PolarHBondContact O-N 3.42Å; E292-N295 WeakPolarHBondContact O-CB 3.46Å; E292-N295 PolarHBondContact O-N 3.48Å; E292-N295 VanDerWaalsContact O-N 3.1Å; E292-L296 WeakPolarHBondContact O-CG 3.45Å; E292-L296 PolarHBondContact O-N 3Å
293	F	84.1	Confident	80.4	Confident	8 Å²	8	69.3 Å²	69.3	4%	0.035	35%	0.354	C	S	.	.	H	α-helix	trans	-64.2	-29.8	178.8	83.7	-88.2	0	0	0	112.5	M290 H291 L296 H297 R586 N587 E590	M290-F293 WeakPolarHBondContact O-CD1 3.2Å; M290-F293 WeakPolarHBondContact O-CE1 3.44Å; H291-F293 PolarHBondContact O-N 3.4Å; F293-L296 PolarHBondContact O-N 2.9Å; F293-H297 PolarHBondContact O-N 3.13Å; F293-R586 HydrophobicContact CE2-CB 4.26Å; F293-N587 WeakPolarHBondContact CZ-OD1 3.42Å; F293-E590 HydrophobicContact CD1-CG 4.1Å; F293-E590 HydrophobicContact CE1-CB 4.2Å; F293-E590 HydrophobicContact CE1-CG 4.02Å; F293-E590 HydrophobicContact CE2-CB 4.25Å; F293-E590 HydrophobicContact CE2-CG 4.5Å; F293-E590 HydrophobicContact CG-CG 4.41Å; F293-E590 HydrophobicContact CZ-CB 3.95Å; F293-E590 HydrophobicContact CZ-CG 4.23Å
294	Q	86.6	Confident	81.1	Confident	27 Å²	27	67.1 Å²	67.1	13%	0.126	34%	0.342	C	S	.	.	H	α-helix	trans	-68.9	-37.9	174.4	-70	-68.4	-10.9	0	0	112	H291 E292 H297 A298 R586 N587	H291-Q294 PolarHBondContact O-N 3.47Å; E292-Q294 PolarHBondContact O-N 3.42Å; Q294-H297 WeakPolarHBondContact O-CB 3.47Å; Q294-H297 PolarHBondContact O-N 2.9Å; Q294-A298 PolarHBondContact O-N 2.86Å; Q294-A298 VanDerWaalsContact O-N 3.14Å; Q294-R586 VanDerWaalsContact OE1-CZ 3.3Å; Q294-N587 PolarHBondContact NE2-OD1 3.35Å
295	N	90.9	Very high	81.9	Confident	86 Å²	86	66.6 Å²	66.6	46%	0.46	34%	0.339	S	S	.	.	H	α-helix	trans	-65.7	-43.1	173.7	-70.4	-24.1	0	0	0	110.9	H291 E292 H297 A298 Q299	H291-N295 PolarHBondContact O-N 2.76Å; E292-N295 WeakPolarHBondContact O-CB 3.46Å; E292-N295 PolarHBondContact O-N 3.48Å; E292-N295 VanDerWaalsContact O-N 3.1Å; N295-H297 VanDerWaalsContact C-N 3.35Å; N295-H297 PolarHBondContact O-N 3.36Å; N295-A298 PolarHBondContact O-N 3.32Å; N295-Q299 WeakPolarHBondContact O-CG 3.48Å; N295-Q299 PolarHBondContact O-N 3.14Å
296	L	92.4	Very high	83.1	Confident	44 Å²	44	61 Å²	61	23%	0.23	32%	0.315	C	S	.	.	H	α-helix	trans	-61.8	-41.4	175.2	-67.3	174.7	0	0	0	111.8	F287 E292 F293 A298 Q299 S300	F287-L296 HydrophobicContact CE1-CD1 4.13Å; F287-L296 HydrophobicContact CZ-CD1 3.94Å; E292-L296 WeakPolarHBondContact O-CG 3.45Å; E292-L296 PolarHBondContact O-N 3Å; F293-L296 PolarHBondContact O-N 2.9Å; L296-A298 VanDerWaalsContact C-N 3.34Å; L296-A298 PolarHBondContact O-N 3.25Å; L296-Q299 PolarHBondContact O-N 2.99Å; L296-S300 WeakPolarHBondContact O-CB 3.19Å; L296-S300 PolarHBondContact O-N 3.34Å; L296-S300 PolarHBondContact O-OG 3.31Å
297	H	94.6	Very high	84.9	Confident	12 Å²	12	56 Å²	56	6%	0.056	29%	0.293	C	S	.	.	H	α-helix	trans	-54.6	-49.6	172.6	168.4	73	0	0	0	111.4	F293 Q294 N295 Q299 K301 R498 C500	F293-H297 PolarHBondContact O-N 3.13Å; Q294-H297 WeakPolarHBondContact O-CB 3.47Å; Q294-H297 PolarHBondContact O-N 2.9Å; N295-H297 VanDerWaalsContact C-N 3.35Å; N295-H297 PolarHBondContact O-N 3.36Å; H297-Q299 PolarHBondContact O-N 3.46Å; H297-K301 WeakPolarHBondContact O-CB 3.28Å; H297-K301 PolarHBondContact O-N 2.91Å; H297-R498 WeakPolarHBondContact CA-O 3.34Å; H297-R498 PolarHBondContact ND1-O 2.78Å; H297-C500 PolarHBondContact CE1-O 2.57Å; H297-C500 VanDerWaalsContact CE1-O 3.28Å; H297-C500 PolarHBondContact ND1-O 2.96Å
298	A	95.2	Very high	86.9	Confident	46 Å²	46	52.4 Å²	52.4	38%	0.38	28%	0.278	S	S	.	.	H	α-helix	trans	-62.6	-43	-179.9	0	0	0	0	0	112.5	Q294 N295 L296 N302	Q294-A298 PolarHBondContact O-N 2.86Å; Q294-A298 VanDerWaalsContact O-N 3.14Å; N295-A298 PolarHBondContact O-N 3.32Å; L296-A298 VanDerWaalsContact C-N 3.34Å; L296-A298 PolarHBondContact O-N 3.25Å; A298-N302 PolarHBondContact O-N 3.47Å; A298-N302 PolarHBondContact O-ND2 2.92Å
299	Q	95.8	Very high	89.4	Confident	118 Å²	118	49.6 Å²	49.6	55%	0.551	25%	0.246	S	C	*	.	H	α-helix	trans	-64.2	-49.1	178.2	-68.9	175.8	25.5	0	0	112	N295 L296 H297 N302 R303	N295-Q299 WeakPolarHBondContact O-CG 3.48Å; N295-Q299 PolarHBondContact O-N 3.14Å; L296-Q299 PolarHBondContact O-N 2.99Å; H297-Q299 PolarHBondContact O-N 3.46Å; Q299-N302 WeakPolarHBondContact O-CB 3.38Å; Q299-N302 PolarHBondContact O-N 3.09Å; Q299-R303 PolarHBondContact O-N 3.1Å
300	S	96.9	Very high	91.4	Very high	8 Å²	8	48.1 Å²	48.1	6%	0.056	23%	0.233	C	C	.	.	H	α-helix	trans	-63.4	-42.6	176.8	-75.4	0	0	0	0	112.2	L296 N302 R303 I304 E495 G499	L296-S300 WeakPolarHBondContact O-CB 3.19Å; L296-S300 PolarHBondContact O-N 3.34Å; L296-S300 PolarHBondContact O-OG 3.31Å; S300-N302 VanDerWaalsContact C-N 3.27Å; S300-N302 PolarHBondContact O-N 2.92Å; S300-R303 WeakPolarHBondContact O-CB 3.37Å; S300-R303 PolarHBondContact O-N 3.17Å; S300-R303 VanDerWaalsContact O-N 3.08Å; S300-I304 PolarHBondContact O-N 3.38Å; S300-E495 WeakPolarHBondContact CB-O 3.35Å; S300-E495 PolarHBondContact OG-O 2.89Å; S300-G499 VanDerWaalsContact CB-CA 3.44Å
301	K	97.5	Very high	93.1	Very high	22 Å²	22	42.8 Å²	42.8	10%	0.096	21%	0.207	C	C	.	.	H	α-helix	trans	-57.6	-41.3	175.7	178.5	-179.3	168.6	165.2	0	111.3	H297 R303 I304 Q305 F325 H501	H297-K301 WeakPolarHBondContact O-CB 3.28Å; H297-K301 PolarHBondContact O-N 2.91Å; K301-R303 VanDerWaalsContact C-N 3.33Å; K301-R303 PolarHBondContact O-N 3.29Å; K301-I304 PolarHBondContact O-N 2.93Å; K301-Q305 WeakPolarHBondContact O-CG 3.49Å; K301-Q305 PolarHBondContact O-N 2.92Å; K301-F325 HydrophobicContact CG-CD2 4.24Å; K301-F325 HydrophobicContact CG-CE2 3.87Å; K301-H501 PolarHBondContact NZ-NE2 3.35Å
302	N	96.6	Very high	94.1	Very high	88 Å²	88	37 Å²	37	47%	0.471	18%	0.181	S	C	.	.	H	α-helix	trans	-62.4	-39.6	176.5	-72.5	-22.5	0	0	0	111.9	A298 Q299 S300 Q305 E306	A298-N302 PolarHBondContact O-N 3.47Å; A298-N302 PolarHBondContact O-ND2 2.92Å; Q299-N302 WeakPolarHBondContact O-CB 3.38Å; Q299-N302 PolarHBondContact O-N 3.09Å; S300-N302 VanDerWaalsContact C-N 3.27Å; S300-N302 PolarHBondContact O-N 2.92Å; N302-Q305 WeakPolarHBondContact O-CB 3.28Å; N302-Q305 PolarHBondContact O-N 3.25Å; N302-E306 PolarHBondContact O-N 3.41Å
303	R	96.1	Very high	94.6	Very high	94 Å²	94	33.8 Å²	33.8	36%	0.355	17%	0.165	S	C	.	.	H	α-helix	trans	-64.3	-40.7	174.9	-70.5	168.2	69.9	-174.5	-1.1	112.1	Q299 S300 K301 E306 F307 P490 M491 E495	Q299-R303 PolarHBondContact O-N 3.1Å; S300-R303 WeakPolarHBondContact O-CB 3.37Å; S300-R303 PolarHBondContact O-N 3.17Å; S300-R303 VanDerWaalsContact O-N 3.08Å; K301-R303 VanDerWaalsContact C-N 3.33Å; K301-R303 PolarHBondContact O-N 3.29Å; R303-E306 PolarHBondContact O-N 3Å; R303-F307 PolarHBondContact O-N 2.84Å; R303-F307 VanDerWaalsContact O-N 3.15Å; R303-P490 PolarHBondContact NH2-O 2.64Å; R303-M491 HydrophobicContact CB-CE 3.42Å; R303-M491 VanDerWaalsContact CB-CE 3.42Å; R303-E495 IonicContact CZ-OE1 2.66Å; R303-E495 IonicContact CZ-OE2 3.45Å; R303-E495 VanDerWaalsContact CZ-OE2 3.32Å; R303-E495 IonicContact NH1-OE1 3.79Å; R303-E495 PolarHBondContact NH1-OE1 2.87Å; R303-E495 IonicContact NH1-OE2 3.11Å; R303-E495 PolarHBondContact NH1-OE2 2.92Å; R303-E495 IonicContact NH2-OE1 3.53Å; R303-E495 IonicContact NH2-OE2 2.6Å; R303-E495 PolarHBondContact NH2-OE2 3Å
304	I	97.9	Very high	94.8	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-63.3	-43	173.1	-60.7	175.5	0	0	0	110.5	S300 K301 E306 F307 V308 F325 F365 M491 F496	S300-I304 PolarHBondContact O-N 3.38Å; K301-I304 PolarHBondContact O-N 2.93Å; I304-E306 VanDerWaalsContact C-N 3.3Å; I304-E306 PolarHBondContact O-N 3.01Å; I304-F307 WeakPolarHBondContact O-CB 3.44Å; I304-F307 PolarHBondContact O-N 2.9Å; I304-F307 VanDerWaalsContact O-N 3.17Å; I304-V308 HydrophobicContact CG2-CG2 4.35Å; I304-V308 WeakPolarHBondContact O-CG2 3.46Å; I304-V308 PolarHBondContact O-N 3.49Å; I304-F325 HydrophobicContact CB-CD2 4.23Å; I304-F325 HydrophobicContact CB-CE2 3.94Å; I304-F325 HydrophobicContact CB-CZ 4.44Å; I304-F325 HydrophobicContact CD1-CD2 4.41Å; I304-F325 HydrophobicContact CG2-CD1 4.22Å; I304-F325 HydrophobicContact CG2-CD2 3.78Å; I304-F325 HydrophobicContact CG2-CE1 4.1Å; I304-F325 HydrophobicContact CG2-CE2 3.63Å; I304-F325 HydrophobicContact CG2-CG 4.08Å; I304-F325 HydrophobicContact CG2-CZ 3.8Å; I304-F365 HydrophobicContact CG2-CE2 4.09Å; I304-F365 HydrophobicContact CG2-CZ 3.78Å; I304-M491 HydrophobicContact CG1-CE 3.88Å; I304-M491 HydrophobicContact CG1-SD 3.93Å; I304-F496 HydrophobicContact CD1-CD2 3.81Å; I304-F496 HydrophobicContact CD1-CE2 4.06Å; I304-F496 HydrophobicContact CG1-CD2 4.17Å
305	Q	97.3	Very high	95.1	Very high	9 Å²	9	36.8 Å²	36.8	4%	0.042	20%	0.195	C	C	.	.	H	α-helix	trans	-61	-38.1	176.5	-75.3	-177.5	-12.9	0	0	112.3	K301 N302 V308 R309 L320 F325	K301-Q305 WeakPolarHBondContact O-CG 3.49Å; K301-Q305 PolarHBondContact O-N 2.92Å; N302-Q305 WeakPolarHBondContact O-CB 3.28Å; N302-Q305 PolarHBondContact O-N 3.25Å; Q305-V308 PolarHBondContact O-N 3.31Å; Q305-R309 WeakPolarHBondContact O-CG 3.27Å; Q305-R309 PolarHBondContact O-N 3.41Å; Q305-L320 HydrophobicContact CG-CB 4.47Å; Q305-L320 PolarHBondContact NE2-O 2.91Å; Q305-F325 HydrophobicContact CG-CE2 3.9Å; Q305-F325 HydrophobicContact CG-CZ 3.7Å
306	E	95.5	Very high	95	Very high	51 Å²	51	36.2 Å²	36.2	24%	0.238	19%	0.191	C	C	.	.	H	α-helix	trans	-61	-45.4	173.4	-75	-53.4	120.3	0	0	111.8	N302 R303 I304 V308 R309 G310 R386	N302-E306 PolarHBondContact O-N 3.41Å; R303-E306 PolarHBondContact O-N 3Å; I304-E306 VanDerWaalsContact C-N 3.3Å; I304-E306 PolarHBondContact O-N 3.01Å; E306-V308 VanDerWaalsContact C-N 3.33Å; E306-V308 PolarHBondContact O-N 2.92Å; E306-R309 PolarHBondContact O-N 2.89Å; E306-R309 IonicContact OE1-CZ 3.23Å; E306-R309 IonicContact OE1-NE 3Å; E306-R309 IonicContact OE1-NH1 2.63Å; E306-R309 PolarHBondContact OE1-NH1 3.26Å; E306-G310 PolarHBondContact O-N 3.06Å; E306-R386 WeakPolarHBondContact O-CD 3.43Å; E306-R386 IonicContact OE2-CZ 2.69Å; E306-R386 IonicContact OE2-NH1 3.38Å; E306-R386 PolarHBondContact OE2-NH1 2.8Å
307	F	96.6	Very high	95	Very high	5 Å²	5	38.1 Å²	38.1	2%	0.022	20%	0.201	C	C	.	.	H	α-helix	trans	-57.6	-46.9	172.6	166.7	-99.7	0	0	0	111.6	R303 I304 R309 G310 H311 F365 T379 Q383 T445 I476 L488 L489	R303-F307 PolarHBondContact O-N 2.84Å; R303-F307 VanDerWaalsContact O-N 3.15Å; I304-F307 WeakPolarHBondContact O-CB 3.44Å; I304-F307 PolarHBondContact O-N 2.9Å; I304-F307 VanDerWaalsContact O-N 3.17Å; F307-R309 PolarHBondContact O-N 2.93Å; F307-G310 CarbonylContact O-C 3.6Å; F307-G310 PolarHBondContact O-N 3Å; F307-G310 VanDerWaalsContact O-N 3.11Å; F307-H311 HydrophobicContact CE1-CB 4.24Å; F307-H311 HydrophobicContact CE2-CB 4.46Å; F307-H311 HydrophobicContact CZ-CB 4.1Å; F307-H311 AromaticContact CZ-CG 3.99Å; F307-H311 AromaticContact CZ-ND1 3.68Å; F307-H311 WeakPolarHBondContact O-CB 3.29Å; F307-H311 PolarHBondContact O-N 3.35Å; F307-F365 HydrophobicContact CD1-CE1 4.09Å; F307-F365 HydrophobicContact CD1-CZ 4.35Å; F307-F365 AromaticContact CE1-CE1 3.77Å; F307-F365 HydrophobicContact CE1-CE1 3.77Å; F307-F365 HydrophobicContact CE1-CZ 4.34Å; F307-T379 HydrophobicContact CE2-CG2 4.4Å; F307-Q383 PolarHBondContact O-NE2 3.1Å; F307-T445 HydrophobicContact CZ-CG2 4.1Å; F307-I476 HydrophobicContact CE1-CD1 3.74Å; F307-I476 HydrophobicContact CE1-CG2 4.24Å; F307-I476 HydrophobicContact CZ-CG2 4.27Å; F307-L488 WeakPolarHBondContact CD2-O 3.28Å; F307-L488 HydrophobicContact CE2-CB 4.35Å; F307-L489 HydrophobicContact CB-CD1 3.62Å; F307-L489 HydrophobicContact CD1-CD1 4.4Å; F307-L489 HydrophobicContact CD2-CB 4.2Å; F307-L489 HydrophobicContact CD2-CD1 4.44Å; F307-L489 HydrophobicContact CG-CB 4.46Å; F307-L489 HydrophobicContact CG-CD1 3.9Å
308	V	97.6	Very high	95	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-60.5	-42.3	179	171.6	0	0	0	0	111.7	I304 Q305 E306 G310 H311 F312 F318 L320 F325 I363 F365	I304-V308 HydrophobicContact CG2-CG2 4.35Å; I304-V308 WeakPolarHBondContact O-CG2 3.46Å; I304-V308 PolarHBondContact O-N 3.49Å; Q305-V308 PolarHBondContact O-N 3.31Å; E306-V308 VanDerWaalsContact C-N 3.33Å; E306-V308 PolarHBondContact O-N 2.92Å; V308-G310 VanDerWaalsContact C-N 3.25Å; V308-G310 PolarHBondContact O-N 2.63Å; V308-H311 PolarHBondContact O-N 3.34Å; V308-F312 HydrophobicContact CG1-CD2 3.82Å; V308-F312 HydrophobicContact CG1-CE2 4.33Å; V308-F312 WeakPolarHBondContact O-CB 3.39Å; V308-F312 WeakPolarHBondContact O-CD2 3.27Å; V308-F312 PolarHBondContact O-N 2.99Å; V308-F318 HydrophobicContact CG1-CE2 4.27Å; V308-F318 HydrophobicContact CG1-CZ 4.28Å; V308-L320 HydrophobicContact CB-CD2 4.46Å; V308-L320 HydrophobicContact CG1-CD2 3.73Å; V308-F325 HydrophobicContact CG2-CE1 3.97Å; V308-F325 HydrophobicContact CG2-CZ 4.28Å; V308-I363 HydrophobicContact CB-CD1 4.4Å; V308-I363 HydrophobicContact CG1-CD1 3.51Å; V308-I363 HydrophobicContact CG2-CD1 3.9Å; V308-F365 HydrophobicContact CG2-CZ 4.31Å
309	R	95.6	Very high	95	Very high	80 Å²	80	40.1 Å²	40.1	30%	0.302	21%	0.206	S	C	.	.	H	α-helix	trans	-56.4	-41.6	174.9	-73.8	176.7	-177.5	97.1	9.1	111.5	Q305 E306 F307 Y313 L316 L320 R386	Q305-R309 WeakPolarHBondContact O-CG 3.27Å; Q305-R309 PolarHBondContact O-N 3.41Å; E306-R309 PolarHBondContact O-N 2.89Å; E306-R309 IonicContact OE1-CZ 3.23Å; E306-R309 IonicContact OE1-NE 3Å; E306-R309 IonicContact OE1-NH1 2.63Å; E306-R309 PolarHBondContact OE1-NH1 3.26Å; F307-R309 PolarHBondContact O-N 2.93Å; R309-Y313 PolarHBondContact O-N 3.21Å; R309-L316 HydrophobicContact CG-CD2 4.17Å; R309-L320 HydrophobicContact CG-CD1 3.59Å; R309-R386 HydrophobicContact CB-CG 4.37Å
310	G	94.9	Very high	94.9	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-73.7	-38.7	176.7	0	0	0	0	0	113.4	E306 F307 V308 Y313 G382	E306-G310 PolarHBondContact O-N 3.06Å; F307-G310 CarbonylContact O-C 3.6Å; F307-G310 PolarHBondContact O-N 3Å; F307-G310 VanDerWaalsContact O-N 3.11Å; V308-G310 VanDerWaalsContact C-N 3.25Å; V308-G310 PolarHBondContact O-N 2.63Å; G310-Y313 VanDerWaalsContact O-CD1 3.23Å; G310-Y313 WeakPolarHBondContact O-CD1 3.22Å; G310-G382 CarbonylContact O-C 3.35Å; G310-G382 WeakPolarHBondContact O-CA 3.43Å
311	H	96.3	Very high	94.8	Very high	1 Å²	1	39 Å²	39	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-70.7	-35.2	-178.5	-163.5	81	0	0	0	112.7	F307 V308 T379 P442	F307-H311 HydrophobicContact CE1-CB 4.24Å; F307-H311 HydrophobicContact CE2-CB 4.46Å; F307-H311 HydrophobicContact CZ-CB 4.1Å; F307-H311 AromaticContact CZ-CG 3.99Å; F307-H311 AromaticContact CZ-ND1 3.68Å; F307-H311 WeakPolarHBondContact O-CB 3.29Å; F307-H311 PolarHBondContact O-N 3.35Å; V308-H311 PolarHBondContact O-N 3.34Å; H311-T379 WeakPolarHBondContact ND1-CG2 3.35Å; H311-P442 PolarHBondContact CE1-O 2.67Å; H311-P442 PolarHBondContact NE2-O 3.16Å
312	F	95.7	Very high	94.8	Very high	1 Å²	1	42.3 Å²	42.3	0%	0.004	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	22.7	179.1	-68.7	-98.6	0	0	0	112.8	V308 G314 N315 L316 F318 I363 P441 N467 K474 I476	V308-F312 HydrophobicContact CG1-CD2 3.82Å; V308-F312 HydrophobicContact CG1-CE2 4.33Å; V308-F312 WeakPolarHBondContact O-CB 3.39Å; V308-F312 WeakPolarHBondContact O-CD2 3.27Å; V308-F312 PolarHBondContact O-N 2.99Å; F312-G314 PolarHBondContact O-N 2.88Å; F312-N315 CarbonylContact O-C 3.33Å; F312-N315 VanDerWaalsContact O-C 3.25Å; F312-N315 WeakPolarHBondContact O-CA 3.48Å; F312-N315 PolarHBondContact O-N 2.83Å; F312-L316 HydrophobicContact CB-CD1 4.18Å; F312-L316 PolarHBondContact O-N 2.9Å; F312-F318 HydrophobicContact CB-CZ 4.39Å; F312-F318 AromaticContact CD1-CE1 3.91Å; F312-F318 HydrophobicContact CD1-CE1 3.91Å; F312-F318 HydrophobicContact CD1-CZ 4.02Å; F312-F318 HydrophobicContact CD2-CZ 4.43Å; F312-F318 HydrophobicContact CE1-CE1 4.41Å; F312-F318 HydrophobicContact CE1-CZ 4.49Å; F312-F318 HydrophobicContact CG-CE1 4.31Å; F312-F318 HydrophobicContact CG-CZ 4.03Å; F312-I363 HydrophobicContact CE2-CD1 4.29Å; F312-P441 HydrophobicContact CD1-CB 3.66Å; F312-P441 HydrophobicContact CD1-CG 3.47Å; F312-P441 VanDerWaalsContact CD1-CG 3.47Å; F312-P441 HydrophobicContact CE1-CB 3.66Å; F312-P441 HydrophobicContact CE1-CG 3.85Å; F312-P441 HydrophobicContact CG-CB 4.23Å; F312-P441 HydrophobicContact CG-CG 4.2Å; F312-P441 HydrophobicContact CZ-CB 4.25Å; F312-N467 HydrophobicContact CE1-CB 4.12Å; F312-K474 HydrophobicContact CE1-CB 4.06Å; F312-K474 HydrophobicContact CE1-CD 4.08Å; F312-K474 HydrophobicContact CE1-CG 3.88Å; F312-K474 HydrophobicContact CZ-CB 3.72Å; F312-K474 HydrophobicContact CZ-CG 3.98Å; F312-I476 HydrophobicContact CE2-CD1 3.88Å; F312-I476 HydrophobicContact CE2-CG1 4.39Å
313	Y	91.9	Very high	94.8	Very high	9 Å²	9	38.1 Å²	38.1	4%	0.035	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	136.7	176.8	81.6	-81.3	0	0	0	111.1	R309 G310 N315 E378 V385 R437	R309-Y313 PolarHBondContact O-N 3.21Å; G310-Y313 VanDerWaalsContact O-CD1 3.23Å; G310-Y313 WeakPolarHBondContact O-CD1 3.22Å; Y313-N315 PolarHBondContact O-N 3.17Å; Y313-N315 VanDerWaalsContact O-N 3.14Å; Y313-E378 PolarHBondContact OH-OE2 3.44Å; Y313-E378 VanDerWaalsContact OH-OE2 3.05Å; Y313-V385 HydrophobicContact CD2-CG1 4.25Å; Y313-R437 HydrophobicContact CE2-CB 3.92Å; Y313-R437 HydrophobicContact CE2-CG 4.18Å
314	G	89.9	Confident	94.9	Very high	52 Å²	52	33.8 Å²	33.8	54%	0.536	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.3	-11.5	-175.2	0	0	0	0	0	115.3	F312 T435	F312-G314 PolarHBondContact O-N 2.88Å; G314-T435 WeakPolarHBondContact CA-O 3.5Å
315	N	91.1	Very high	95	Very high	47 Å²	47	33.8 Å²	33.8	25%	0.251	18%	0.178	S	C	.	.			trans	-131.4	22.5	-177.3	-67.7	89.2	0	0	0	112.3	F312 Y313 D317 P441	F312-N315 CarbonylContact O-C 3.33Å; F312-N315 VanDerWaalsContact O-C 3.25Å; F312-N315 WeakPolarHBondContact O-CA 3.48Å; F312-N315 PolarHBondContact O-N 2.83Å; Y313-N315 PolarHBondContact O-N 3.17Å; Y313-N315 VanDerWaalsContact O-N 3.14Å; N315-D317 VanDerWaalsContact C-N 3.25Å; N315-D317 PolarHBondContact O-N 3.41Å; N315-P441 HydrophobicContact CB-CG 3.78Å
316	L	89.9	Confident	95	Very high	73 Å²	73	33.4 Å²	33.4	38%	0.382	18%	0.176	S	C	.	.			trans	-83.9	70	177.7	-166.7	73.6	0	0	0	109.9	R309 F312 F318 L320	R309-L316 HydrophobicContact CG-CD2 4.17Å; F312-L316 HydrophobicContact CB-CD1 4.18Å; F312-L316 PolarHBondContact O-N 2.9Å; L316-F318 VanDerWaalsContact C-N 3.34Å; L316-F318 HydrophobicContact CD1-CD2 4.34Å; L316-F318 HydrophobicContact CD1-CE1 4.26Å; L316-F318 HydrophobicContact CD1-CE2 3.74Å; L316-F318 HydrophobicContact CD1-CZ 3.69Å; L316-L320 HydrophobicContact CD1-CD1 4.45Å; L316-L320 HydrophobicContact CD1-CD2 4.17Å; L316-L320 HydrophobicContact CD1-CG 4.34Å; L316-L320 HydrophobicContact CD2-CD1 4.23Å
317	D	91.4	Very high	95.2	Very high	84 Å²	84	31 Å²	31	45%	0.449	17%	0.165	S	C	.	.			trans	-94.9	17	-177.2	64.1	-13.8	0	0	0	113.6	N315 S469	N315-D317 VanDerWaalsContact C-N 3.25Å; N315-D317 PolarHBondContact O-N 3.41Å; D317-S469 VanDerWaalsContact OD2-CA 3.26Å; D317-S469 WeakPolarHBondContact OD2-CA 3.29Å; D317-S469 WeakPolarHBondContact OD2-CB 3.43Å
318	F	95.1	Very high	95.3	Very high	21 Å²	21	30.8 Å²	30.8	9%	0.092	17%	0.165	C	C	.	.	S	Bend	trans	-133.7	155.6	-178.2	54	-95.6	0	0	0	112.3	V308 F312 L316 L320 C323 T361 I363	V308-F318 HydrophobicContact CG1-CE2 4.27Å; V308-F318 HydrophobicContact CG1-CZ 4.28Å; F312-F318 HydrophobicContact CB-CZ 4.39Å; F312-F318 AromaticContact CD1-CE1 3.91Å; F312-F318 HydrophobicContact CD1-CE1 3.91Å; F312-F318 HydrophobicContact CD1-CZ 4.02Å; F312-F318 HydrophobicContact CD2-CZ 4.43Å; F312-F318 HydrophobicContact CE1-CE1 4.41Å; F312-F318 HydrophobicContact CE1-CZ 4.49Å; F312-F318 HydrophobicContact CG-CE1 4.31Å; F312-F318 HydrophobicContact CG-CZ 4.03Å; L316-F318 VanDerWaalsContact C-N 3.34Å; L316-F318 HydrophobicContact CD1-CD2 4.34Å; L316-F318 HydrophobicContact CD1-CE1 4.26Å; L316-F318 HydrophobicContact CD1-CE2 3.74Å; L316-F318 HydrophobicContact CD1-CZ 3.69Å; F318-L320 HydrophobicContact CD2-CD2 4.35Å; F318-L320 HydrophobicContact CE2-CD2 3.82Å; F318-C323 WeakPolarHBondContact CD2-SG 3.2Å; F318-C323 VanDerWaalsContact CE2-SG 3.58Å; F318-T361 HydrophobicContact CB-CG2 4.35Å; F318-T361 WeakPolarHBondContact CB-OG1 3.37Å; F318-T361 HydrophobicContact CD1-CG2 4.31Å; F318-T361 HydrophobicContact CD2-CG2 3.96Å; F318-T361 HydrophobicContact CE2-CG2 4.3Å; F318-T361 HydrophobicContact CG-CG2 3.95Å; F318-I363 HydrophobicContact CE2-CD1 4.1Å; F318-I363 HydrophobicContact CZ-CD1 4.15Å
319	N	94.9	Very high	95.3	Very high	80 Å²	80	31.1 Å²	31.1	43%	0.428	17%	0.167	S	C	.	.			trans	-84.5	115.8	-178.4	-175.6	-6.6	0	0	0	111.8	D321 K322 C323	N319-D321 PolarHBondContact O-N 3.38Å; N319-D321 WeakPolarHBondContact OD1-CB 3.38Å; N319-D321 PolarHBondContact OD1-N 2.91Å; N319-K322 CarbonylContact O-C 3.2Å; N319-K322 PolarHBondContact O-N 3.35Å; N319-C323 PolarHBondContact O-N 3.45Å; N319-C323 PolarHBondContact O-SG 3.27Å
320	L	95.3	Very high	95.1	Very high	12 Å²	12	28.4 Å²	28.4	6%	0.063	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-63	-22.6	178.5	-68	174.2	0	0	0	114.5	Q305 V308 R309 L316 F318 K322 C323	Q305-L320 HydrophobicContact CG-CB 4.47Å; Q305-L320 PolarHBondContact NE2-O 2.91Å; V308-L320 HydrophobicContact CB-CD2 4.46Å; V308-L320 HydrophobicContact CG1-CD2 3.73Å; R309-L320 HydrophobicContact CG-CD1 3.59Å; L316-L320 HydrophobicContact CD1-CD1 4.45Å; L316-L320 HydrophobicContact CD1-CD2 4.17Å; L316-L320 HydrophobicContact CD1-CG 4.34Å; L316-L320 HydrophobicContact CD2-CD1 4.23Å; F318-L320 HydrophobicContact CD2-CD2 4.35Å; F318-L320 HydrophobicContact CE2-CD2 3.82Å; L320-K322 VanDerWaalsContact C-N 3.29Å; L320-C323 WeakPolarHBondContact O-CB 3.37Å; L320-C323 PolarHBondContact O-N 3.3Å
321	D	94.3	Very high	95	Very high	90 Å²	90	34.3 Å²	34.3	48%	0.481	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-71	-26.6	173.6	-83.6	-52.3	0	0	0	113.2	N319 R579	N319-D321 PolarHBondContact O-N 3.38Å; N319-D321 WeakPolarHBondContact OD1-CB 3.38Å; N319-D321 PolarHBondContact OD1-N 2.91Å; D321-R579 IonicContact OD1-NH2 3.78Å; D321-R579 PolarHBondContact OD1-NH2 3.43Å
322	K	96.1	Very high	94.9	Very high	92 Å²	92	37 Å²	37	40%	0.4	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-100.3	10.9	175.3	-60.4	-171.7	177.4	-178.2	0	111.9	N319 L320 D359 T361	N319-K322 CarbonylContact O-C 3.2Å; N319-K322 PolarHBondContact O-N 3.35Å; L320-K322 VanDerWaalsContact C-N 3.29Å; K322-D359 HydrophobicContact CD-CB 4.35Å; K322-D359 VanDerWaalsContact CD-OD2 3.25Å; K322-D359 WeakPolarHBondContact CD-OD2 3.49Å; K322-D359 WeakPolarHBondContact CE-OD2 3.48Å; K322-D359 IonicContact NZ-OD2 3.76Å; K322-D359 PolarHBondContact NZ-OD2 3.07Å; K322-T361 PolarHBondContact O-N 2.86Å
323	C	97.5	Very high	94.8	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	134.7	172.4	-77.7	0	0	0	0	112.1	F318 N319 L320 F325 T361	F318-C323 WeakPolarHBondContact CD2-SG 3.2Å; F318-C323 VanDerWaalsContact CE2-SG 3.58Å; N319-C323 PolarHBondContact O-N 3.45Å; N319-C323 PolarHBondContact O-SG 3.27Å; L320-C323 WeakPolarHBondContact O-CB 3.37Å; L320-C323 PolarHBondContact O-N 3.3Å; C323-F325 HydrophobicContact CB-CE1 4.32Å; C323-T361 CarbonylContact C-O 3.57Å; C323-T361 WeakPolarHBondContact CA-O 3.35Å
324	L	98.6	Very high	95	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.01	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	134.2	169.9	-59.1	178.9	0	0	0	109.6	L326 V360 T361 V362 I363 H501 F574 C575	L324-L326 HydrophobicContact CB-CD1 3.87Å; L324-V360 HydrophobicContact CD1-CG1 3.89Å; L324-V360 HydrophobicContact CG-CG1 4.08Å; L324-T361 PolarHBondContact N-O 3.01Å; L324-V362 WeakPolarHBondContact O-CA 3.15Å; L324-I363 PolarHBondContact O-N 3.48Å; L324-H501 HydrophobicContact CD2-CB 4.42Å; L324-F574 HydrophobicContact CD1-CD1 4.07Å; L324-F574 HydrophobicContact CD1-CE1 4.15Å; L324-C575 HydrophobicContact CD1-CB 4.35Å
325	F	98.8	Very high	95.1	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	114	179	-59.4	-42.3	0	0	0	109.1	K301 I304 Q305 V308 C323 I363 F365 C500 H501 L502	K301-F325 HydrophobicContact CG-CD2 4.24Å; K301-F325 HydrophobicContact CG-CE2 3.87Å; I304-F325 HydrophobicContact CB-CD2 4.23Å; I304-F325 HydrophobicContact CB-CE2 3.94Å; I304-F325 HydrophobicContact CB-CZ 4.44Å; I304-F325 HydrophobicContact CD1-CD2 4.41Å; I304-F325 HydrophobicContact CG2-CD1 4.22Å; I304-F325 HydrophobicContact CG2-CD2 3.78Å; I304-F325 HydrophobicContact CG2-CE1 4.1Å; I304-F325 HydrophobicContact CG2-CE2 3.63Å; I304-F325 HydrophobicContact CG2-CG 4.08Å; I304-F325 HydrophobicContact CG2-CZ 3.8Å; Q305-F325 HydrophobicContact CG-CE2 3.9Å; Q305-F325 HydrophobicContact CG-CZ 3.7Å; V308-F325 HydrophobicContact CG2-CE1 3.97Å; V308-F325 HydrophobicContact CG2-CZ 4.28Å; C323-F325 HydrophobicContact CB-CE1 4.32Å; F325-I363 WeakPolarHBondContact CA-O 3.48Å; F325-I363 HydrophobicContact CD1-CB 4.06Å; F325-I363 HydrophobicContact CE1-CB 4.38Å; F325-I363 HydrophobicContact CE1-CD1 4.12Å; F325-I363 HydrophobicContact CE1-CG1 4.46Å; F325-F365 HydrophobicContact CB-CE2 4.44Å; F325-F365 HydrophobicContact CD1-CE2 4.03Å; F325-F365 HydrophobicContact CG-CE2 4.42Å; F325-C500 HydrophobicContact CB-CB 4.4Å; F325-H501 AromaticContact CD2-CE1 3.74Å; F325-H501 AromaticContact CD2-ND1 3.84Å; F325-H501 AromaticContact CG-ND1 3.95Å; F325-H501 PolarHBondContact N-ND1 3.43Å; F325-H501 PolarHBondContact O-N 3.32Å; F325-L502 PolarHBondContact O-N 3.3Å
326	L	98.8	Very high	95.2	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	148.5	177.4	-72.9	58.5	0	0	0	107.2	L324 F342 L346 V362 I363 A364 F365 L502 V504 L571	L324-L326 HydrophobicContact CB-CD1 3.87Å; L326-F342 HydrophobicContact CB-CZ 4.31Å; L326-L346 HydrophobicContact CD2-CD2 4.47Å; L326-V362 HydrophobicContact CD1-CG1 3.78Å; L326-V362 HydrophobicContact CD2-CG1 3.71Å; L326-V362 HydrophobicContact CG-CG1 4.23Å; L326-I363 PolarHBondContact N-O 3.48Å; L326-A364 CarbonylContact O-C 3.52Å; L326-A364 WeakPolarHBondContact O-CA 3.39Å; L326-F365 PolarHBondContact O-N 2.99Å; L326-L502 VanDerWaalsContact CA-O 3.31Å; L326-L502 WeakPolarHBondContact CA-O 3.49Å; L326-L502 HydrophobicContact CG-CB 4.31Å; L326-L502 HydrophobicContact CG-CD2 4.43Å; L326-V504 HydrophobicContact CD2-CG2 4.49Å; L326-L571 HydrophobicContact CD2-CD2 3.73Å
327	F	98.8	Very high	95.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	151.9	175.9	77.7	-76.9	0	0	0	112.8	A329 F365 F496 V497 C500 L502 V504 F505 C519	F327-A329 HydrophobicContact CD2-CB 4.02Å; F327-A329 HydrophobicContact CE2-CB 4.1Å; F327-F365 CarbonylContact C-O 3.51Å; F327-F365 VanDerWaalsContact CA-O 3.26Å; F327-F365 WeakPolarHBondContact CA-O 3.42Å; F327-F365 HydrophobicContact CB-CB 3.96Å; F327-F496 HydrophobicContact CB-CE1 3.76Å; F327-F496 HydrophobicContact CB-CZ 3.99Å; F327-F496 HydrophobicContact CD1-CE1 4.47Å; F327-F496 AromaticContact CD2-CE1 3.89Å; F327-F496 HydrophobicContact CD2-CE1 3.89Å; F327-F496 AromaticContact CG-CE1 3.79Å; F327-F496 HydrophobicContact CG-CE1 3.79Å; F327-F496 HydrophobicContact CG-CZ 4.46Å; F327-V497 HydrophobicContact CE1-CG1 4.33Å; F327-V497 HydrophobicContact CE2-CG2 3.88Å; F327-V497 HydrophobicContact CZ-CB 4.17Å; F327-V497 HydrophobicContact CZ-CG1 3.89Å; F327-V497 HydrophobicContact CZ-CG2 3.64Å; F327-C500 HydrophobicContact CD1-CB 3.55Å; F327-C500 HydrophobicContact CE1-CB 3.83Å; F327-L502 PolarHBondContact N-O 3.02Å; F327-L502 VanDerWaalsContact N-O 3.16Å; F327-V504 PolarHBondContact O-N 2.86Å; F327-F505 HydrophobicContact CD2-CE1 4.4Å; F327-F505 HydrophobicContact CD2-CZ 4.46Å; F327-F505 AromaticContact CE2-CE1 4Å; F327-F505 HydrophobicContact CE2-CE1 4Å; F327-F505 AromaticContact CE2-CZ 3.75Å; F327-F505 HydrophobicContact CE2-CZ 3.75Å; F327-F505 HydrophobicContact CZ-CE1 4.48Å; F327-F505 AromaticContact CZ-CZ 3.79Å; F327-F505 HydrophobicContact CZ-CZ 3.79Å; F327-C519 VanDerWaalsContact CZ-SG 3.51Å
328	I	98.7	Very high	95.7	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.01	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	137.1	163.1	-171.4	172	0	0	0	107.6	K337 A339 F342 F365 F366 I367 M368 V504 F505	I328-K337 WeakPolarHBondContact CD1-O 3.5Å; I328-A339 HydrophobicContact CD1-CB 4.44Å; I328-F342 HydrophobicContact CB-CD1 3.95Å; I328-F342 HydrophobicContact CB-CE1 4.03Å; I328-F342 HydrophobicContact CD1-CD1 4.4Å; I328-F342 HydrophobicContact CG2-CD1 3.76Å; I328-F342 HydrophobicContact CG2-CE1 3.91Å; I328-F365 PolarHBondContact N-O 3.43Å; I328-F366 HydrophobicContact CG2-CB 4.19Å; I328-F366 HydrophobicContact CG2-CD1 3.3Å; I328-F366 HydrophobicContact CG2-CD2 4.48Å; I328-F366 HydrophobicContact CG2-CE1 3.66Å; I328-F366 HydrophobicContact CG2-CG 3.75Å; I328-F366 HydrophobicContact CG2-CZ 4.36Å; I328-I367 PolarHBondContact O-N 2.84Å; I328-M368 HydrophobicContact CB-CE 4.49Å; I328-M368 HydrophobicContact CD1-CE 3.56Å; I328-M368 HydrophobicContact CG1-CE 3.66Å; I328-M368 HydrophobicContact CG2-CE 4.11Å; I328-V504 WeakPolarHBondContact CB-O 3.08Å; I328-V504 VanDerWaalsContact CG1-O 3.29Å; I328-V504 WeakPolarHBondContact CG1-O 3.39Å; I328-F505 HydrophobicContact CG1-CD1 4.24Å
329	A	96.9	Very high	95.9	Very high	6 Å²	6	30.9 Å²	30.9	5%	0.05	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	148.5	-179.5	0	0	0	0	0	110.8	F327 I367 Y493 T515	F327-A329 HydrophobicContact CD2-CB 4.02Å; F327-A329 HydrophobicContact CE2-CB 4.1Å; A329-I367 VanDerWaalsContact CA-O 3.31Å; A329-I367 WeakPolarHBondContact CA-O 3.43Å; A329-I367 HydrophobicContact CB-CB 3.99Å; A329-Y493 HydrophobicContact CB-CE2 3.9Å; A329-T515 HydrophobicContact CB-CG2 4.18Å
330	G	93.2	Very high	95.9	Very high	23 Å²	23	29.2 Å²	29.2	24%	0.237	14%	0.143	C	C	.	.	S	Bend	trans	152.2	-170.3	174.4	0	0	0	0	0	113	I367 P369	G330-I367 PolarHBondContact N-O 3.07Å; G330-P369 WeakPolarHBondContact O-CD 3.21Å
331	R	91.8	Very high	96	Very high	124 Å²	124	28.8 Å²	28.8	47%	0.468	14%	0.141	S	C	.	.	S	Bend	trans	-58.4	148	170	-62.1	-170	-56.9	-136.1	-5.6	109.9	R211 E333	R211-R331 VanDerWaalsContact NH2-NH1 3.11Å; R331-E333 HydrophobicContact CB-CG 4.34Å; R331-E333 IonicContact CZ-OE1 3.05Å; R331-E333 IonicContact NE-OE1 3.13Å; R331-E333 PolarHBondContact NE-OE1 2.88Å; R331-E333 IonicContact NH2-OE1 2.74Å; R331-E333 PolarHBondContact NH2-OE1 3.31Å; R331-E333 PolarHBondContact O-N 3.26Å
332	Y	94.8	Very high	96.3	Very high	59 Å²	59	24.5 Å²	24.5	23%	0.231	12%	0.118	C	C	.	.	S	Bend	trans	-76.9	77.9	179.6	-161	168.1	0	0	0	111.3	M368 P369 A370 D454 I456 F477	Y332-M368 HydrophobicContact CD2-CB 4.33Å; Y332-M368 HydrophobicContact CD2-SD 4.23Å; Y332-M368 HydrophobicContact CG-CB 4.13Å; Y332-P369 VanDerWaalsContact CB-O 3.3Å; Y332-P369 WeakPolarHBondContact CB-O 3.41Å; Y332-A370 HydrophobicContact CD1-CB 3.44Å; Y332-A370 VanDerWaalsContact CD1-CB 3.44Å; Y332-A370 HydrophobicContact CE1-CB 3.49Å; Y332-A370 VanDerWaalsContact CE1-CB 3.49Å; Y332-D454 WeakPolarHBondContact CE1-OD2 3.49Å; Y332-D454 PolarHBondContact OH-OD1 3.2Å; Y332-D454 VanDerWaalsContact OH-OD1 3.09Å; Y332-D454 PolarHBondContact OH-OD2 3.38Å; Y332-I456 HydrophobicContact CE2-CD1 3.7Å; Y332-I456 HydrophobicContact CE2-CG1 3.97Å; Y332-I456 WeakPolarHBondContact OH-CG1 3.23Å; Y332-F477 AromaticContact CE1-CZ 3.75Å; Y332-F477 HydrophobicContact CE1-CZ 3.75Å; Y332-F477 AromaticContact CZ-CZ 3.96Å
333	E	93.4	Very high	96.4	Very high	39 Å²	39	20.1 Å²	20.1	18%	0.182	10%	0.099	C	C	.	.			trans	-120.8	89.3	173.2	-58.4	173.5	-155.4	0	0	108.6	R211 R331 S335 N336 K337	R211-E333 IonicContact NH2-OE1 2.71Å; R331-E333 HydrophobicContact CB-CG 4.34Å; R331-E333 IonicContact CZ-OE1 3.05Å; R331-E333 IonicContact NE-OE1 3.13Å; R331-E333 PolarHBondContact NE-OE1 2.88Å; R331-E333 IonicContact NH2-OE1 2.74Å; R331-E333 PolarHBondContact NH2-OE1 3.31Å; R331-E333 PolarHBondContact O-N 3.26Å; E333-S335 PolarHBondContact O-N 3.44Å; E333-N336 HydrophobicContact CB-CB 3.86Å; E333-N336 PolarHBondContact O-N 3.03Å; E333-N336 VanDerWaalsContact OE2-CB 3.3Å; E333-N336 WeakPolarHBondContact OE2-CB 3.29Å; E333-N336 PolarHBondContact OE2-ND2 3Å; E333-K337 HydrophobicContact CB-CG 4.34Å; E333-K337 WeakPolarHBondContact O-CB 3.3Å; E333-K337 PolarHBondContact O-N 3.2Å
334	F	94.6	Very high	96.4	Very high	47 Å²	47	22.2 Å²	22.2	21%	0.206	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-51.9	-167.9	-177.2	-115.5	0	0	0	113.9	G338 A339 D340 L343 P455 I456 C459	F334-G338 PolarHBondContact O-N 3.33Å; F334-A339 HydrophobicContact CD2-CB 3.69Å; F334-A339 HydrophobicContact CE2-CB 4.02Å; F334-A339 PolarHBondContact O-N 3.16Å; F334-D340 HydrophobicContact CD1-CB 4.17Å; F334-D340 HydrophobicContact CE1-CB 3.58Å; F334-D340 HydrophobicContact CE2-CB 4.34Å; F334-D340 HydrophobicContact CZ-CB 3.68Å; F334-L343 HydrophobicContact CE2-CD1 4.01Å; F334-L343 HydrophobicContact CZ-CD1 4.49Å; F334-P455 HydrophobicContact CB-CB 4Å; F334-P455 HydrophobicContact CB-CG 4.43Å; F334-P455 HydrophobicContact CD1-CB 3.64Å; F334-P455 HydrophobicContact CD2-CB 3.73Å; F334-P455 HydrophobicContact CE1-CB 3.95Å; F334-P455 HydrophobicContact CE2-CB 4.06Å; F334-P455 HydrophobicContact CG-CB 3.51Å; F334-P455 HydrophobicContact CG-CG 4.44Å; F334-P455 HydrophobicContact CZ-CB 4.15Å; F334-I456 HydrophobicContact CD2-CG1 3.81Å; F334-I456 HydrophobicContact CE2-CG1 3.92Å; F334-C459 HydrophobicContact CZ-CB 3.98Å
335	S	93	Very high	96.4	Very high	36 Å²	36	22.1 Å²	22.1	25%	0.252	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-43.2	-179.7	-44.6	0	0	0	0	112.7	E333 K337 G338	E333-S335 PolarHBondContact O-N 3.44Å; S335-K337 PolarHBondContact O-N 2.94Å; S335-G338 PolarHBondContact O-N 3.49Å
336	N	93.6	Very high	96.4	Very high	11 Å²	11	22.1 Å²	22.1	6%	0.059	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-39.7	-176.7	-68.5	-10.2	0	0	0	112.3	C214 E333 G338 S507 Y508 Y509	C214-N336 WeakPolarHBondContact CB-OD1 3.44Å; E333-N336 HydrophobicContact CB-CB 3.86Å; E333-N336 PolarHBondContact O-N 3.03Å; E333-N336 VanDerWaalsContact OE2-CB 3.3Å; E333-N336 WeakPolarHBondContact OE2-CB 3.29Å; E333-N336 PolarHBondContact OE2-ND2 3Å; N336-G338 VanDerWaalsContact C-N 3.27Å; N336-S507 CarbonylContact O-C 3.58Å; N336-S507 VanDerWaalsContact O-CA 3.3Å; N336-S507 WeakPolarHBondContact O-CA 3.46Å; N336-Y508 PolarHBondContact O-N 2.93Å; N336-Y509 PolarHBondContact O-N 2.86Å
337	K	95.8	Very high	96.4	Very high	25 Å²	25	23.1 Å²	23.1	11%	0.109	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-5.5	174.3	-67.2	-54.1	-168.5	-174.5	0	113.4	I328 E333 S335 M368 E510	I328-K337 WeakPolarHBondContact CD1-O 3.5Å; E333-K337 HydrophobicContact CB-CG 4.34Å; E333-K337 WeakPolarHBondContact O-CB 3.3Å; E333-K337 PolarHBondContact O-N 3.2Å; S335-K337 PolarHBondContact O-N 2.94Å; K337-M368 HydrophobicContact CB-CE 3.9Å; K337-E510 IonicContact NZ-OE1 2.79Å; K337-E510 PolarHBondContact NZ-OE1 3.45Å
338	G	96.5	Very high	96.4	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.4	25.1	176.9	0	0	0	0	0	114.2	F334 S335 N336 D340 I341 F342 P506	F334-G338 PolarHBondContact O-N 3.33Å; S335-G338 PolarHBondContact O-N 3.49Å; N336-G338 VanDerWaalsContact C-N 3.27Å; G338-D340 WeakPolarHBondContact CA-OD1 3.41Å; G338-D340 PolarHBondContact O-N 2.91Å; G338-I341 PolarHBondContact O-N 2.77Å; G338-F342 WeakPolarHBondContact O-CB 3.45Å; G338-F342 PolarHBondContact O-N 2.8Å; G338-P506 WeakPolarHBondContact CA-O 3.04Å; G338-P506 VanDerWaalsContact O-CG 3.29Å; G338-P506 WeakPolarHBondContact O-CG 3.44Å
339	A	97.7	Very high	96.4	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-62.8	-30.2	177.3	0	0	0	0	0	111.6	I328 F334 L343 F366 M368	I328-A339 HydrophobicContact CD1-CB 4.44Å; F334-A339 HydrophobicContact CD2-CB 3.69Å; F334-A339 HydrophobicContact CE2-CB 4.02Å; F334-A339 PolarHBondContact O-N 3.16Å; A339-L343 WeakPolarHBondContact O-CB 3.39Å; A339-L343 WeakPolarHBondContact O-CD1 3.46Å; A339-L343 VanDerWaalsContact O-CG 3.25Å; A339-L343 WeakPolarHBondContact O-CG 3.11Å; A339-L343 PolarHBondContact O-N 2.81Å; A339-F366 HydrophobicContact CB-CE1 4.26Å; A339-M368 HydrophobicContact CB-CE 4.07Å; A339-M368 HydrophobicContact CB-SD 4.27Å
340	D	96.6	Very high	96.5	Very high	44 Å²	44	25.8 Å²	25.8	24%	0.235	13%	0.126	C	C	.	.	H	α-helix	trans	-58.5	-55.3	170.6	59.1	-22	0	0	0	112.6	F334 G338 F342 L343 E344	F334-D340 HydrophobicContact CD1-CB 4.17Å; F334-D340 HydrophobicContact CE1-CB 3.58Å; F334-D340 HydrophobicContact CE2-CB 4.34Å; F334-D340 HydrophobicContact CZ-CB 3.68Å; G338-D340 WeakPolarHBondContact CA-OD1 3.41Å; G338-D340 PolarHBondContact O-N 2.91Å; D340-F342 VanDerWaalsContact C-N 3.32Å; D340-F342 PolarHBondContact O-N 3.34Å; D340-L343 PolarHBondContact O-N 3.49Å; D340-E344 PolarHBondContact O-N 3.47Å; D340-E344 VanDerWaalsContact O-N 3.11Å
341	I	97.5	Very high	96.7	Very high	3 Å²	3	32 Å²	32	2%	0.015	14%	0.144	C	C	.	.	H	α-helix	trans	-63.8	-39.8	177.9	-69.5	-158.7	0	0	0	110.7	G338 E344 A345 P506 V560 L567	G338-I341 PolarHBondContact O-N 2.77Å; I341-E344 PolarHBondContact O-N 3.37Å; I341-A345 WeakPolarHBondContact O-CB 3.48Å; I341-A345 PolarHBondContact O-N 3.43Å; I341-P506 HydrophobicContact CG2-CB 4.34Å; I341-V560 HydrophobicContact CD1-CG1 4.23Å; I341-V560 HydrophobicContact CG1-CG1 4.5Å; I341-L567 HydrophobicContact CG2-CD2 3.75Å
342	F	98.7	Very high	97	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-63.3	-46.3	179.3	-174.8	-147.6	0	0	0	111.8	L326 I328 G338 D340 E344 A345 L346 A364 F366 V504 P506 L567 L571	L326-F342 HydrophobicContact CB-CZ 4.31Å; I328-F342 HydrophobicContact CB-CD1 3.95Å; I328-F342 HydrophobicContact CB-CE1 4.03Å; I328-F342 HydrophobicContact CD1-CD1 4.4Å; I328-F342 HydrophobicContact CG2-CD1 3.76Å; I328-F342 HydrophobicContact CG2-CE1 3.91Å; G338-F342 WeakPolarHBondContact O-CB 3.45Å; G338-F342 PolarHBondContact O-N 2.8Å; D340-F342 VanDerWaalsContact C-N 3.32Å; D340-F342 PolarHBondContact O-N 3.34Å; F342-E344 PolarHBondContact O-N 3.23Å; F342-A345 PolarHBondContact O-N 3.42Å; F342-L346 HydrophobicContact CD1-CD1 4.27Å; F342-L346 HydrophobicContact CD2-CD1 4.07Å; F342-L346 HydrophobicContact CD2-CD2 4.41Å; F342-L346 HydrophobicContact CD2-CG 3.91Å; F342-L346 HydrophobicContact CE1-CD1 4.04Å; F342-L346 HydrophobicContact CE2-CD1 3.82Å; F342-L346 HydrophobicContact CE2-CD2 3.7Å; F342-L346 HydrophobicContact CE2-CG 3.67Å; F342-L346 HydrophobicContact CG-CD1 4.29Å; F342-L346 HydrophobicContact CZ-CD1 3.81Å; F342-L346 HydrophobicContact CZ-CD2 4.09Å; F342-L346 HydrophobicContact CZ-CG 4.14Å; F342-L346 WeakPolarHBondContact O-CB 3.5Å; F342-L346 VanDerWaalsContact O-CG 3.25Å; F342-L346 WeakPolarHBondContact O-CG 3.49Å; F342-L346 PolarHBondContact O-N 2.82Å; F342-A364 HydrophobicContact CE1-CB 4.4Å; F342-A364 HydrophobicContact CZ-CB 4.11Å; F342-F366 AromaticContact CD1-CE1 3.69Å; F342-F366 HydrophobicContact CD1-CE1 3.69Å; F342-F366 HydrophobicContact CD1-CE2 4.23Å; F342-F366 AromaticContact CD1-CZ 3.43Å; F342-F366 HydrophobicContact CD1-CZ 3.43Å; F342-F366 VanDerWaalsContact CD1-CZ 3.43Å; F342-F366 HydrophobicContact CE1-CE1 4.3Å; F342-F366 HydrophobicContact CE1-CE2 4.12Å; F342-F366 AromaticContact CE1-CZ 3.78Å; F342-F366 HydrophobicContact CE1-CZ 3.78Å; F342-F366 HydrophobicContact CG-CZ 4.28Å; F342-V504 HydrophobicContact CD2-CB 4.14Å; F342-V504 HydrophobicContact CD2-CG1 3.48Å; F342-V504 VanDerWaalsContact CD2-CG1 3.48Å; F342-V504 HydrophobicContact CE1-CB 4.31Å; F342-V504 HydrophobicContact CE2-CB 3.75Å; F342-V504 HydrophobicContact CE2-CG1 3.53Å; F342-V504 HydrophobicContact CE2-CG2 3.92Å; F342-V504 HydrophobicContact CG-CG1 4.05Å; F342-V504 HydrophobicContact CZ-CB 3.85Å; F342-V504 HydrophobicContact CZ-CG1 4.13Å; F342-V504 HydrophobicContact CZ-CG2 4.04Å; F342-P506 HydrophobicContact CB-CG 4.04Å; F342-L567 HydrophobicContact CD2-CD2 4.47Å; F342-L571 HydrophobicContact CE2-CD1 4.25Å
343	L	98.6	Very high	97.2	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-61	-43.4	177	-76.1	168.4	0	0	0	112.3	F334 A339 D340 L346 A347 F366 I456 C459 V460 I463 I475	F334-L343 HydrophobicContact CE2-CD1 4.01Å; F334-L343 HydrophobicContact CZ-CD1 4.49Å; A339-L343 WeakPolarHBondContact O-CB 3.39Å; A339-L343 WeakPolarHBondContact O-CD1 3.46Å; A339-L343 VanDerWaalsContact O-CG 3.25Å; A339-L343 WeakPolarHBondContact O-CG 3.11Å; A339-L343 PolarHBondContact O-N 2.81Å; D340-L343 PolarHBondContact O-N 3.49Å; L343-L346 PolarHBondContact O-N 3.24Å; L343-A347 PolarHBondContact O-N 3.41Å; L343-A347 VanDerWaalsContact O-N 3.09Å; L343-F366 HydrophobicContact CD1-CE1 4.31Å; L343-F366 HydrophobicContact CD1-CZ 4.46Å; L343-F366 HydrophobicContact CD2-CE1 3.98Å; L343-F366 HydrophobicContact CD2-CE2 3.8Å; L343-F366 HydrophobicContact CD2-CZ 3.33Å; L343-F366 HydrophobicContact CG-CE1 3.8Å; L343-F366 HydrophobicContact CG-CE2 4.5Å; L343-F366 HydrophobicContact CG-CZ 3.57Å; L343-I456 HydrophobicContact CD1-CG2 4.33Å; L343-C459 HydrophobicContact CD1-CB 3.7Å; L343-V460 HydrophobicContact CD2-CG2 3.8Å; L343-I463 HydrophobicContact CB-CD1 4.11Å; L343-I463 HydrophobicContact CD2-CD1 4.31Å; L343-I475 HydrophobicContact CD2-CD1 3.75Å
344	E	98.4	Very high	97.4	Very high	44 Å²	44	30.1 Å²	30.1	21%	0.206	14%	0.138	C	C	.	.	H	α-helix	trans	-63.2	-43.9	176.7	-174.9	61.4	-144.1	0	0	111.5	D340 I341 F342 L346 A347 R348 R462 C564	D340-E344 PolarHBondContact O-N 3.47Å; D340-E344 VanDerWaalsContact O-N 3.11Å; I341-E344 PolarHBondContact O-N 3.37Å; F342-E344 PolarHBondContact O-N 3.23Å; E344-L346 VanDerWaalsContact C-N 3.33Å; E344-L346 PolarHBondContact O-N 3.38Å; E344-A347 PolarHBondContact O-N 2.95Å; E344-R348 PolarHBondContact O-N 3.42Å; E344-R348 IonicContact OE1-CZ 3.94Å; E344-R348 IonicContact OE1-NE 4Å; E344-R348 PolarHBondContact OE1-NE 3.38Å; E344-R348 IonicContact OE1-NH2 3.18Å; E344-R348 PolarHBondContact OE1-NH2 2.92Å; E344-R462 IonicContact OE2-CZ 3.75Å; E344-R462 IonicContact OE2-NH1 3.47Å; E344-R462 PolarHBondContact OE2-NH1 3.47Å; E344-R462 IonicContact OE2-NH2 3.05Å; E344-R462 PolarHBondContact OE2-NH2 3.45Å; E344-C564 HydrophobicContact CG-CB 4.42Å
345	A	98.7	Very high	97.5	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-65.3	-34	176.8	0	0	0	0	0	112.9	I341 F342 R348 L349 L567 T568 L571	I341-A345 WeakPolarHBondContact O-CB 3.48Å; I341-A345 PolarHBondContact O-N 3.43Å; F342-A345 PolarHBondContact O-N 3.42Å; A345-R348 PolarHBondContact O-N 3.38Å; A345-L349 WeakPolarHBondContact O-CB 3.39Å; A345-L349 PolarHBondContact O-N 2.63Å; A345-L567 HydrophobicContact CB-CB 4.03Å; A345-L567 HydrophobicContact CB-CD2 3.58Å; A345-L567 HydrophobicContact CB-CG 3.68Å; A345-T568 WeakPolarHBondContact CA-OG1 2.89Å; A345-T568 PolarHBondContact O-OG1 2.79Å; A345-L571 HydrophobicContact CB-CD1 4.33Å
346	L	98.8	Very high	97.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-66.5	-37.3	174.1	-74.2	172.4	0	0	0	112.2	L326 F342 L343 E344 L349 N350 V362 A364 F366 L465 V473 L571	L326-L346 HydrophobicContact CD2-CD2 4.47Å; F342-L346 HydrophobicContact CD1-CD1 4.27Å; F342-L346 HydrophobicContact CD2-CD1 4.07Å; F342-L346 HydrophobicContact CD2-CD2 4.41Å; F342-L346 HydrophobicContact CD2-CG 3.91Å; F342-L346 HydrophobicContact CE1-CD1 4.04Å; F342-L346 HydrophobicContact CE2-CD1 3.82Å; F342-L346 HydrophobicContact CE2-CD2 3.7Å; F342-L346 HydrophobicContact CE2-CG 3.67Å; F342-L346 HydrophobicContact CG-CD1 4.29Å; F342-L346 HydrophobicContact CZ-CD1 3.81Å; F342-L346 HydrophobicContact CZ-CD2 4.09Å; F342-L346 HydrophobicContact CZ-CG 4.14Å; F342-L346 WeakPolarHBondContact O-CB 3.5Å; F342-L346 VanDerWaalsContact O-CG 3.25Å; F342-L346 WeakPolarHBondContact O-CG 3.49Å; F342-L346 PolarHBondContact O-N 2.82Å; L343-L346 PolarHBondContact O-N 3.24Å; E344-L346 VanDerWaalsContact C-N 3.33Å; E344-L346 PolarHBondContact O-N 3.38Å; L346-L349 HydrophobicContact CD2-CD2 4.34Å; L346-L349 PolarHBondContact O-N 2.65Å; L346-N350 WeakPolarHBondContact O-CB 3.43Å; L346-N350 PolarHBondContact O-N 3.13Å; L346-V362 HydrophobicContact CD2-CG1 4.45Å; L346-A364 HydrophobicContact CD1-CB 3.53Å; L346-A364 HydrophobicContact CD2-CB 4Å; L346-A364 HydrophobicContact CG-CB 4.44Å; L346-F366 HydrophobicContact CD1-CE2 4.04Å; L346-F366 HydrophobicContact CD1-CZ 4Å; L346-L465 HydrophobicContact CB-CD1 4.38Å; L346-V473 HydrophobicContact CB-CG1 4.13Å; L346-V473 HydrophobicContact CD2-CG1 3.81Å; L346-V473 HydrophobicContact CG-CG1 4.42Å; L346-L571 HydrophobicContact CD2-CD1 4.41Å
347	A	98.6	Very high	97.8	Very high	23 Å²	23	41.6 Å²	41.6	19%	0.19	20%	0.196	C	C	.	.	H	α-helix	trans	-63.6	-45.1	174.3	0	0	0	0	0	111.7	L343 E344 N350 Y351 I463 L465	L343-A347 PolarHBondContact O-N 3.41Å; L343-A347 VanDerWaalsContact O-N 3.09Å; E344-A347 PolarHBondContact O-N 2.95Å; A347-N350 WeakPolarHBondContact O-CB 3.32Å; A347-N350 PolarHBondContact O-N 3.12Å; A347-Y351 PolarHBondContact O-N 2.93Å; A347-Y351 VanDerWaalsContact O-N 3.15Å; A347-I463 HydrophobicContact CB-CB 4Å; A347-I463 HydrophobicContact CB-CD1 4.29Å; A347-I463 HydrophobicContact CB-CG1 4.47Å; A347-I463 HydrophobicContact CB-CG2 4.38Å; A347-L465 HydrophobicContact CB-CD1 4.31Å
348	R	98.6	Very high	97.8	Very high	53 Å²	53	41.5 Å²	41.5	20%	0.2	20%	0.198	C	C	.	.	H	α-helix	trans	-63	-41.7	174.6	-63.1	174.1	-168.6	-157.7	-1	111.6	E344 A345 N350 Y351 L352 D561 N565 T568	E344-R348 PolarHBondContact O-N 3.42Å; E344-R348 IonicContact OE1-CZ 3.94Å; E344-R348 IonicContact OE1-NE 4Å; E344-R348 PolarHBondContact OE1-NE 3.38Å; E344-R348 IonicContact OE1-NH2 3.18Å; E344-R348 PolarHBondContact OE1-NH2 2.92Å; A345-R348 PolarHBondContact O-N 3.38Å; R348-N350 PolarHBondContact O-N 2.82Å; R348-Y351 WeakPolarHBondContact O-CB 3.38Å; R348-Y351 PolarHBondContact O-N 2.83Å; R348-L352 WeakPolarHBondContact O-CG 3.45Å; R348-L352 PolarHBondContact O-N 3.04Å; R348-D561 IonicContact CZ-OD1 3.71Å; R348-D561 PolarHBondContact NH1-O 3.49Å; R348-D561 IonicContact NH1-OD1 3.75Å; R348-D561 PolarHBondContact NH1-OD1 2.65Å; R348-D561 IonicContact NH1-OD2 3.01Å; R348-D561 IonicContact NH2-OD1 2.72Å; R348-D561 PolarHBondContact NH2-OD1 2.97Å; R348-N565 VanDerWaalsContact NH1-CG 3.3Å; R348-N565 PolarHBondContact NH1-OD1 3.36Å; R348-T568 HydrophobicContact CB-CG2 3.76Å; R348-T568 WeakPolarHBondContact CB-OG1 3.26Å
349	L	98.8	Very high	97.7	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-60.9	-42.9	174.8	-179.7	66.2	0	0	0	111.8	A345 L346 Y351 L352 L353 V362 V473 L571 F572	A345-L349 WeakPolarHBondContact O-CB 3.39Å; A345-L349 PolarHBondContact O-N 2.63Å; L346-L349 HydrophobicContact CD2-CD2 4.34Å; L346-L349 PolarHBondContact O-N 2.65Å; L349-Y351 VanDerWaalsContact C-N 3.3Å; L349-Y351 PolarHBondContact O-N 3.19Å; L349-L352 PolarHBondContact O-N 3.12Å; L349-L353 HydrophobicContact CD1-CD1 4.18Å; L349-L353 HydrophobicContact CD1-CG 4.08Å; L349-L353 HydrophobicContact CD2-CD1 4.48Å; L349-L353 HydrophobicContact CG-CD1 3.94Å; L349-L353 HydrophobicContact CG-CG 4.24Å; L349-L353 WeakPolarHBondContact O-CB 3.24Å; L349-L353 WeakPolarHBondContact O-CG 3.25Å; L349-L353 PolarHBondContact O-N 3.38Å; L349-V362 HydrophobicContact CD2-CG1 4.44Å; L349-V362 HydrophobicContact CD2-CG2 4.22Å; L349-V473 HydrophobicContact CB-CG2 4.34Å; L349-V473 HydrophobicContact CD2-CG2 4.05Å; L349-V473 HydrophobicContact CG-CG2 4.04Å; L349-L571 HydrophobicContact CD1-CB 4.2Å; L349-L571 HydrophobicContact CD2-CB 3.86Å; L349-L571 HydrophobicContact CD2-CD1 4.22Å; L349-F572 HydrophobicContact CD1-CB 3.92Å; L349-F572 HydrophobicContact CD1-CD2 4.16Å
350	N	98.6	Very high	97.7	Very high	10 Å²	10	46.5 Å²	46.5	5%	0.053	23%	0.225	C	C	.	.	H	α-helix	trans	-57.4	-45.9	176.7	-171.6	45.3	0	0	0	111.1	L346 A347 R348 R354 L465 D471 R472 V473	L346-N350 WeakPolarHBondContact O-CB 3.43Å; L346-N350 PolarHBondContact O-N 3.13Å; A347-N350 WeakPolarHBondContact O-CB 3.32Å; A347-N350 PolarHBondContact O-N 3.12Å; R348-N350 PolarHBondContact O-N 2.82Å; N350-R354 WeakPolarHBondContact O-CB 3.47Å; N350-R354 VanDerWaalsContact O-CG 3.24Å; N350-R354 WeakPolarHBondContact O-CG 3.31Å; N350-R354 PolarHBondContact O-N 2.89Å; N350-L465 HydrophobicContact CB-CD2 3.94Å; N350-L465 VanDerWaalsContact ND2-CD2 3.31Å; N350-L465 WeakPolarHBondContact ND2-CD2 3.45Å; N350-D471 PolarHBondContact ND2-OD1 3.36Å; N350-D471 WeakPolarHBondContact OD1-CA 3.36Å; N350-R472 PolarHBondContact OD1-N 3.34Å; N350-V473 HydrophobicContact CB-CB 3.97Å; N350-V473 HydrophobicContact CB-CG2 3.81Å; N350-V473 PolarHBondContact OD1-N 3.19Å; N350-V473 VanDerWaalsContact OD1-N 3.11Å
351	Y	98.4	Very high	97.7	Very high	155 Å²	155	44.5 Å²	44.5	61%	0.608	22%	0.215	S	C	*	.	H	α-helix	trans	-59.6	-50.4	175.3	176.7	-96.8	0	0	0	111.8	A347 R348 L349 L353 R354 V355	A347-Y351 PolarHBondContact O-N 2.93Å; A347-Y351 VanDerWaalsContact O-N 3.15Å; R348-Y351 WeakPolarHBondContact O-CB 3.38Å; R348-Y351 PolarHBondContact O-N 2.83Å; L349-Y351 VanDerWaalsContact C-N 3.3Å; L349-Y351 PolarHBondContact O-N 3.19Å; Y351-L353 PolarHBondContact O-N 3.08Å; Y351-R354 PolarHBondContact O-N 2.83Å; Y351-V355 HydrophobicContact CD1-CG2 4.26Å; Y351-V355 HydrophobicContact CD2-CG2 4.17Å; Y351-V355 HydrophobicContact CE1-CG2 3.86Å; Y351-V355 HydrophobicContact CE2-CG2 3.76Å; Y351-V355 HydrophobicContact CG-CG2 4.41Å; Y351-V355 WeakPolarHBondContact O-CG2 3.32Å; Y351-V355 PolarHBondContact O-N 3.22Å
352	L	98.3	Very high	97.8	Very high	55 Å²	55	44.4 Å²	44.4	29%	0.288	21%	0.214	S	C	.	.	H	α-helix	trans	-59.7	-45.3	179.9	-69.6	178.1	0	0	0	112.5	R348 L349 R354 V355 N356 T568 F572	R348-L352 WeakPolarHBondContact O-CG 3.45Å; R348-L352 PolarHBondContact O-N 3.04Å; L349-L352 PolarHBondContact O-N 3.12Å; L352-R354 VanDerWaalsContact C-N 3.31Å; L352-R354 PolarHBondContact O-N 2.97Å; L352-V355 PolarHBondContact O-N 3.47Å; L352-N356 WeakPolarHBondContact O-CB 3.2Å; L352-N356 PolarHBondContact O-N 2.88Å; L352-N356 PolarHBondContact O-ND2 3.19Å; L352-T568 HydrophobicContact CD1-CG2 3.55Å; L352-F572 HydrophobicContact CB-CD2 4.09Å; L352-F572 HydrophobicContact CB-CE2 4.09Å; L352-F572 HydrophobicContact CD1-CB 4.36Å; L352-F572 HydrophobicContact CD1-CD2 4.42Å; L352-F572 HydrophobicContact CD1-CG 4.21Å
353	L	98.2	Very high	97.8	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.005	21%	0.214	C	C	.	.	H	α-helix	trans	-64	-37.3	179	-69.4	175.9	0	0	0	111.9	L349 Y351 H357 S358 V362 R472 V473 F572 C575	L349-L353 HydrophobicContact CD1-CD1 4.18Å; L349-L353 HydrophobicContact CD1-CG 4.08Å; L349-L353 HydrophobicContact CD2-CD1 4.48Å; L349-L353 HydrophobicContact CG-CD1 3.94Å; L349-L353 HydrophobicContact CG-CG 4.24Å; L349-L353 WeakPolarHBondContact O-CB 3.24Å; L349-L353 WeakPolarHBondContact O-CG 3.25Å; L349-L353 PolarHBondContact O-N 3.38Å; Y351-L353 PolarHBondContact O-N 3.08Å; L353-H357 PolarHBondContact O-N 3.03Å; L353-S358 WeakPolarHBondContact O-CB 3.4Å; L353-S358 PolarHBondContact O-N 3.39Å; L353-V362 HydrophobicContact CD1-CG2 4.08Å; L353-R472 HydrophobicContact CB-CB 3.7Å; L353-R472 HydrophobicContact CB-CG 4.07Å; L353-R472 HydrophobicContact CD1-CB 4.03Å; L353-V473 HydrophobicContact CD1-CG2 4.09Å; L353-F572 HydrophobicContact CD2-CD2 4.18Å; L353-F572 HydrophobicContact CD2-CE2 4.2Å; L353-C575 HydrophobicContact CD2-CB 4.23Å
354	R	97.2	Very high	97.8	Very high	125 Å²	125	44.4 Å²	44.4	47%	0.472	21%	0.214	S	C	.	.	H	α-helix	trans	-68.3	-46.9	176.8	-73.5	175	63.5	-174.7	-2.1	112.3	N350 Y351 L352 N356 H357 A470 R472	N350-R354 WeakPolarHBondContact O-CB 3.47Å; N350-R354 VanDerWaalsContact O-CG 3.24Å; N350-R354 WeakPolarHBondContact O-CG 3.31Å; N350-R354 PolarHBondContact O-N 2.89Å; Y351-R354 PolarHBondContact O-N 2.83Å; L352-R354 VanDerWaalsContact C-N 3.31Å; L352-R354 PolarHBondContact O-N 2.97Å; R354-N356 VanDerWaalsContact C-N 3.33Å; R354-N356 PolarHBondContact O-N 3.36Å; R354-H357 PolarHBondContact O-N 3.34Å; R354-H357 VanDerWaalsContact O-N 3.1Å; R354-A470 WeakPolarHBondContact CD-O 3.3Å; R354-R472 HydrophobicContact CG-CB 4.5Å; R354-R472 HydrophobicContact CG-CG 3.93Å
355	V	97.4	Very high	97.8	Very high	78 Å²	78	42.4 Å²	42.4	47%	0.473	21%	0.205	S	C	.	.	H	α-helix	trans	-66.3	-35.9	-179.5	172.6	0	0	0	0	111.7	Y351 L352 H357	Y351-V355 HydrophobicContact CD1-CG2 4.26Å; Y351-V355 HydrophobicContact CD2-CG2 4.17Å; Y351-V355 HydrophobicContact CE1-CG2 3.86Å; Y351-V355 HydrophobicContact CE2-CG2 3.76Å; Y351-V355 HydrophobicContact CG-CG2 4.41Å; Y351-V355 WeakPolarHBondContact O-CG2 3.32Å; Y351-V355 PolarHBondContact O-N 3.22Å; L352-V355 PolarHBondContact O-N 3.47Å; V355-H357 PolarHBondContact O-N 3.23Å
356	N	96.6	Very high	97.8	Very high	92 Å²	92	42.4 Å²	42.4	49%	0.492	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	5.6	175.6	-72.5	-92.6	0	0	0	113.2	L352 R354 S358	L352-N356 WeakPolarHBondContact O-CB 3.2Å; L352-N356 PolarHBondContact O-N 2.88Å; L352-N356 PolarHBondContact O-ND2 3.19Å; R354-N356 VanDerWaalsContact C-N 3.33Å; R354-N356 PolarHBondContact O-N 3.36Å; N356-S358 PolarHBondContact O-N 3.45Å; N356-S358 VanDerWaalsContact O-N 3.1Å
357	H	95.4	Very high	97.8	Very high	166 Å²	166	42.7 Å²	42.7	77%	0.769	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.8	36	-176.6	-59.4	-69.5	0	0	0	113.6	L353 R354 V355	L353-H357 PolarHBondContact O-N 3.03Å; R354-H357 PolarHBondContact O-N 3.34Å; R354-H357 VanDerWaalsContact O-N 3.1Å; V355-H357 PolarHBondContact O-N 3.23Å
358	S	95.3	Very high	97.7	Very high	22 Å²	22	41.6 Å²	41.6	15%	0.154	20%	0.197	C	C	.	.			trans	-62	141.4	180	-174.5	0	0	0	0	110.6	L353 N356 V360 R472	L353-S358 WeakPolarHBondContact O-CB 3.4Å; L353-S358 PolarHBondContact O-N 3.39Å; N356-S358 PolarHBondContact O-N 3.45Å; N356-S358 VanDerWaalsContact O-N 3.1Å; S358-V360 WeakPolarHBondContact OG-CB 3.43Å; S358-V360 PolarHBondContact OG-N 3.15Å; S358-R472 PolarHBondContact O-NE 3Å; S358-R472 PolarHBondContact O-NH2 3.22Å
359	D	94.5	Very high	97.6	Very high	85 Å²	85	40.8 Å²	40.8	46%	0.455	20%	0.199	S	C	.	.			trans	-92.1	-3.9	173.3	63.9	-14.1	0	0	0	112.5	K322	K322-D359 HydrophobicContact CD-CB 4.35Å; K322-D359 VanDerWaalsContact CD-OD2 3.25Å; K322-D359 WeakPolarHBondContact CD-OD2 3.49Å; K322-D359 WeakPolarHBondContact CE-OD2 3.48Å; K322-D359 IonicContact NZ-OD2 3.76Å; K322-D359 PolarHBondContact NZ-OD2 3.07Å
360	V	97.4	Very high	97.4	Very high	20 Å²	20	42 Å²	42	12%	0.121	21%	0.21	C	C	.	.			trans	-77	134	173.9	176.6	0	0	0	0	109.9	L324 S358 C575	L324-V360 HydrophobicContact CD1-CG1 3.89Å; L324-V360 HydrophobicContact CG-CG1 4.08Å; S358-V360 WeakPolarHBondContact OG-CB 3.43Å; S358-V360 PolarHBondContact OG-N 3.15Å; V360-C575 HydrophobicContact CG1-CB 4.34Å
361	T	98.5	Very high	97.3	Very high	3 Å²	3	49.6 Å²	49.6	2%	0.018	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	130.3	171.4	-63	0	0	0	0	109.4	F318 K322 C323 L324 I363 R472 K474	F318-T361 HydrophobicContact CB-CG2 4.35Å; F318-T361 WeakPolarHBondContact CB-OG1 3.37Å; F318-T361 HydrophobicContact CD1-CG2 4.31Å; F318-T361 HydrophobicContact CD2-CG2 3.96Å; F318-T361 HydrophobicContact CE2-CG2 4.3Å; F318-T361 HydrophobicContact CG-CG2 3.95Å; K322-T361 PolarHBondContact O-N 2.86Å; C323-T361 CarbonylContact C-O 3.57Å; C323-T361 WeakPolarHBondContact CA-O 3.35Å; L324-T361 PolarHBondContact N-O 3.01Å; T361-I363 HydrophobicContact CG2-CG1 4.47Å; T361-R472 CarbonylContact C-O 3.57Å; T361-R472 WeakPolarHBondContact CA-O 3.39Å; T361-K474 HydrophobicContact CG2-CG 4.16Å
362	V	98.8	Very high	97.1	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	132.4	176.7	169.3	0	0	0	0	108.5	L324 L326 L346 L349 L353 R472 V473 K474 C575	L324-V362 WeakPolarHBondContact O-CA 3.15Å; L326-V362 HydrophobicContact CD1-CG1 3.78Å; L326-V362 HydrophobicContact CD2-CG1 3.71Å; L326-V362 HydrophobicContact CG-CG1 4.23Å; L346-V362 HydrophobicContact CD2-CG1 4.45Å; L349-V362 HydrophobicContact CD2-CG1 4.44Å; L349-V362 HydrophobicContact CD2-CG2 4.22Å; L353-V362 HydrophobicContact CD1-CG2 4.08Å; V362-R472 PolarHBondContact N-O 2.8Å; V362-V473 HydrophobicContact CB-CG1 4.44Å; V362-V473 HydrophobicContact CB-CG2 4.12Å; V362-V473 HydrophobicContact CG1-CG1 4.16Å; V362-V473 HydrophobicContact CG1-CG2 4.48Å; V362-V473 CarbonylContact O-C 3.53Å; V362-V473 WeakPolarHBondContact O-CA 3.48Å; V362-K474 PolarHBondContact O-N 3.42Å; V362-C575 VanDerWaalsContact CG2-SG 3.58Å
363	I	98.8	Very high	96.9	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	114.8	168.8	-52.7	-170.4	0	0	0	107.7	V308 F312 F318 L324 F325 L326 T361 F365 K474 I476	V308-I363 HydrophobicContact CB-CD1 4.4Å; V308-I363 HydrophobicContact CG1-CD1 3.51Å; V308-I363 HydrophobicContact CG2-CD1 3.9Å; F312-I363 HydrophobicContact CE2-CD1 4.29Å; F318-I363 HydrophobicContact CE2-CD1 4.1Å; F318-I363 HydrophobicContact CZ-CD1 4.15Å; L324-I363 PolarHBondContact O-N 3.48Å; F325-I363 WeakPolarHBondContact CA-O 3.48Å; F325-I363 HydrophobicContact CD1-CB 4.06Å; F325-I363 HydrophobicContact CE1-CB 4.38Å; F325-I363 HydrophobicContact CE1-CD1 4.12Å; F325-I363 HydrophobicContact CE1-CG1 4.46Å; L326-I363 PolarHBondContact N-O 3.48Å; T361-I363 HydrophobicContact CG2-CG1 4.47Å; I363-F365 HydrophobicContact CB-CE2 4.36Å; I363-F365 HydrophobicContact CG2-CD2 4.27Å; I363-F365 HydrophobicContact CG2-CE2 3.73Å; I363-F365 HydrophobicContact CG2-CZ 4.09Å; I363-K474 WeakPolarHBondContact CA-O 3.45Å; I363-K474 HydrophobicContact CG1-CB 4.14Å; I363-K474 HydrophobicContact CG1-CG 4.23Å; I363-K474 HydrophobicContact CG2-CB 4.43Å; I363-I476 HydrophobicContact CG2-CD1 3.64Å; I363-I476 HydrophobicContact CG2-CG1 3.98Å
364	A	98.8	Very high	96.6	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	120.4	-179.4	0	0	0	0	0	110.6	L326 F342 L346 F366 K474 I476	L326-A364 CarbonylContact O-C 3.52Å; L326-A364 WeakPolarHBondContact O-CA 3.39Å; F342-A364 HydrophobicContact CE1-CB 4.4Å; F342-A364 HydrophobicContact CZ-CB 4.11Å; L346-A364 HydrophobicContact CD1-CB 3.53Å; L346-A364 HydrophobicContact CD2-CB 4Å; L346-A364 HydrophobicContact CG-CB 4.44Å; A364-F366 HydrophobicContact CB-CE2 4.27Å; A364-K474 PolarHBondContact N-O 2.95Å; A364-I476 PolarHBondContact O-N 3.39Å
365	F	98.8	Very high	96.5	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.009	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	133.8	177	-68.8	-97.4	0	0	0	110.9	I304 F307 V308 F325 L326 F327 I328 I363 I367 I476 F496	I304-F365 HydrophobicContact CG2-CE2 4.09Å; I304-F365 HydrophobicContact CG2-CZ 3.78Å; F307-F365 HydrophobicContact CD1-CE1 4.09Å; F307-F365 HydrophobicContact CD1-CZ 4.35Å; F307-F365 AromaticContact CE1-CE1 3.77Å; F307-F365 HydrophobicContact CE1-CE1 3.77Å; F307-F365 HydrophobicContact CE1-CZ 4.34Å; V308-F365 HydrophobicContact CG2-CZ 4.31Å; F325-F365 HydrophobicContact CB-CE2 4.44Å; F325-F365 HydrophobicContact CD1-CE2 4.03Å; F325-F365 HydrophobicContact CG-CE2 4.42Å; L326-F365 PolarHBondContact O-N 2.99Å; F327-F365 CarbonylContact C-O 3.51Å; F327-F365 VanDerWaalsContact CA-O 3.26Å; F327-F365 WeakPolarHBondContact CA-O 3.42Å; F327-F365 HydrophobicContact CB-CB 3.96Å; I328-F365 PolarHBondContact N-O 3.43Å; I363-F365 HydrophobicContact CB-CE2 4.36Å; I363-F365 HydrophobicContact CG2-CD2 4.27Å; I363-F365 HydrophobicContact CG2-CE2 3.73Å; I363-F365 HydrophobicContact CG2-CZ 4.09Å; F365-I367 HydrophobicContact CB-CD1 4.2Å; F365-I476 CarbonylContact C-O 3.5Å; F365-I476 WeakPolarHBondContact CA-O 3.34Å; F365-I476 HydrophobicContact CD1-CB 4.01Å; F365-I476 HydrophobicContact CD1-CD1 4.38Å; F365-I476 HydrophobicContact CD1-CG2 4.15Å; F365-I476 HydrophobicContact CE1-CB 4.22Å; F365-I476 HydrophobicContact CE1-CD1 3.74Å; F365-I476 HydrophobicContact CE1-CG2 4.24Å; F365-I476 HydrophobicContact CZ-CD1 3.89Å; F365-F496 HydrophobicContact CB-CZ 3.69Å; F365-F496 AromaticContact CD1-CE2 4Å; F365-F496 HydrophobicContact CD1-CE2 4Å; F365-F496 HydrophobicContact CD1-CZ 4.02Å; F365-F496 HydrophobicContact CD2-CE2 4.3Å; F365-F496 HydrophobicContact CD2-CZ 4.05Å; F365-F496 HydrophobicContact CE1-CE2 4.22Å; F365-F496 HydrophobicContact CG-CE2 4.03Å; F365-F496 AromaticContact CG-CZ 3.67Å; F365-F496 HydrophobicContact CG-CZ 3.67Å; F365-F496 HydrophobicContact CZ-CE2 4.5Å
366	F	98.6	Very high	96.2	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	104.5	171	-69.9	-106.2	0	0	0	108	I328 A339 F342 L343 L346 A364 I456 I475 I476 F477 H478	I328-F366 HydrophobicContact CG2-CB 4.19Å; I328-F366 HydrophobicContact CG2-CD1 3.3Å; I328-F366 HydrophobicContact CG2-CD2 4.48Å; I328-F366 HydrophobicContact CG2-CE1 3.66Å; I328-F366 HydrophobicContact CG2-CG 3.75Å; I328-F366 HydrophobicContact CG2-CZ 4.36Å; A339-F366 HydrophobicContact CB-CE1 4.26Å; F342-F366 AromaticContact CD1-CE1 3.69Å; F342-F366 HydrophobicContact CD1-CE1 3.69Å; F342-F366 HydrophobicContact CD1-CE2 4.23Å; F342-F366 AromaticContact CD1-CZ 3.43Å; F342-F366 HydrophobicContact CD1-CZ 3.43Å; F342-F366 VanDerWaalsContact CD1-CZ 3.43Å; F342-F366 HydrophobicContact CE1-CE1 4.3Å; F342-F366 HydrophobicContact CE1-CE2 4.12Å; F342-F366 AromaticContact CE1-CZ 3.78Å; F342-F366 HydrophobicContact CE1-CZ 3.78Å; F342-F366 HydrophobicContact CG-CZ 4.28Å; L343-F366 HydrophobicContact CD1-CE1 4.31Å; L343-F366 HydrophobicContact CD1-CZ 4.46Å; L343-F366 HydrophobicContact CD2-CE1 3.98Å; L343-F366 HydrophobicContact CD2-CE2 3.8Å; L343-F366 HydrophobicContact CD2-CZ 3.33Å; L343-F366 HydrophobicContact CG-CE1 3.8Å; L343-F366 HydrophobicContact CG-CE2 4.5Å; L343-F366 HydrophobicContact CG-CZ 3.57Å; L346-F366 HydrophobicContact CD1-CE2 4.04Å; L346-F366 HydrophobicContact CD1-CZ 4Å; A364-F366 HydrophobicContact CB-CE2 4.27Å; F366-I456 HydrophobicContact CB-CD1 4.45Å; F366-I456 HydrophobicContact CD1-CD1 4.06Å; F366-I475 HydrophobicContact CD2-CG2 3.98Å; F366-I475 HydrophobicContact CE2-CG2 3.95Å; F366-I476 PolarHBondContact N-O 3.38Å; F366-F477 HydrophobicContact CB-CD2 3.77Å; F366-F477 WeakPolarHBondContact O-CD2 3.25Å; F366-H478 CarbonylContact O-C 3.5Å; F366-H478 PolarHBondContact O-N 3.42Å
367	I	98.2	Very high	96	Very high	6 Å²	6	46.1 Å²	46.1	3%	0.031	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	82.5	178.9	-47	-56.1	0	0	0	108.3	I328 A329 G330 F365 H478 L482 F496	I328-I367 PolarHBondContact O-N 2.84Å; A329-I367 VanDerWaalsContact CA-O 3.31Å; A329-I367 WeakPolarHBondContact CA-O 3.43Å; A329-I367 HydrophobicContact CB-CB 3.99Å; G330-I367 PolarHBondContact N-O 3.07Å; F365-I367 HydrophobicContact CB-CD1 4.2Å; I367-H478 HydrophobicContact CD1-CB 3.69Å; I367-L482 HydrophobicContact CD1-CD1 4.44Å; I367-L482 HydrophobicContact CD1-CD2 4.28Å; I367-L482 HydrophobicContact CG1-CD1 4.37Å; I367-L482 HydrophobicContact CG2-CD1 4.29Å; I367-L482 HydrophobicContact CG2-CG 4.02Å; I367-F496 HydrophobicContact CD1-CE1 4.31Å; I367-F496 HydrophobicContact CD1-CZ 4.16Å; I367-F496 HydrophobicContact CG1-CE1 3.88Å; I367-F496 HydrophobicContact CG1-CZ 4.2Å
368	M	97.2	Very high	95.9	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.215	C	C	.	.			trans	-134	103.6	-175.4	-69	-171.7	174.3	0	0	110.1	I328 Y332 K337 A339 A370 I456 F477 H478 P479	I328-M368 HydrophobicContact CB-CE 4.49Å; I328-M368 HydrophobicContact CD1-CE 3.56Å; I328-M368 HydrophobicContact CG1-CE 3.66Å; I328-M368 HydrophobicContact CG2-CE 4.11Å; Y332-M368 HydrophobicContact CD2-CB 4.33Å; Y332-M368 HydrophobicContact CD2-SD 4.23Å; Y332-M368 HydrophobicContact CG-CB 4.13Å; K337-M368 HydrophobicContact CB-CE 3.9Å; A339-M368 HydrophobicContact CB-CE 4.07Å; A339-M368 HydrophobicContact CB-SD 4.27Å; M368-A370 PolarHBondContact O-N 3.15Å; M368-I456 HydrophobicContact SD-CD1 3.94Å; M368-F477 HydrophobicContact CB-CE2 4.26Å; M368-H478 PolarHBondContact N-O 3.24Å; M368-P479 VanDerWaalsContact O-CA 3.27Å; M368-P479 WeakPolarHBondContact O-CA 3.34Å
369	P	95.3	Very high	95.8	Very high	37 Å²	37	39.8 Å²	39.8	24%	0.24	21%	0.208	C	C	.	.			trans	-56.2	126.2	-175.3	-26	33.6	0	0	0	112.7	G330 Y332 P479 F481	G330-P369 WeakPolarHBondContact O-CD 3.21Å; Y332-P369 VanDerWaalsContact CB-O 3.3Å; Y332-P369 WeakPolarHBondContact CB-O 3.41Å; P369-P479 WeakPolarHBondContact CA-O 3.28Å; P369-F481 HydrophobicContact CB-CD2 4.31Å; P369-F481 HydrophobicContact CB-CE2 4.08Å; P369-F481 HydrophobicContact CB-CZ 4.34Å; P369-F481 HydrophobicContact CG-CD1 3.75Å; P369-F481 HydrophobicContact CG-CD2 3.81Å; P369-F481 HydrophobicContact CG-CE1 3.56Å; P369-F481 HydrophobicContact CG-CE2 3.63Å; P369-F481 HydrophobicContact CG-CG 3.88Å; P369-F481 HydrophobicContact CG-CZ 3.52Å
370	A	95.9	Very high	95.7	Very high	26 Å²	26	39 Å²	39	22%	0.215	20%	0.203	C	C	.	.			trans	-131.3	175.1	-179.3	0	0	0	0	0	111.4	Y332 M368 T372 M448 F477 P479	Y332-A370 HydrophobicContact CD1-CB 3.44Å; Y332-A370 VanDerWaalsContact CD1-CB 3.44Å; Y332-A370 HydrophobicContact CE1-CB 3.49Å; Y332-A370 VanDerWaalsContact CE1-CB 3.49Å; M368-A370 PolarHBondContact O-N 3.15Å; A370-T372 PolarHBondContact O-N 3.37Å; A370-M448 HydrophobicContact CB-CE 3.45Å; A370-M448 VanDerWaalsContact CB-CE 3.45Å; A370-M448 HydrophobicContact CB-SD 4.35Å; A370-F477 HydrophobicContact CB-CZ 4.45Å; A370-P479 HydrophobicContact CB-CB 3.65Å; A370-P479 PolarHBondContact N-O 3.11Å
371	R	95.3	Very high	95.5	Very high	169 Å²	169	42.5 Å²	42.5	64%	0.638	22%	0.217	S	C	*	.			trans	-78.9	111.8	174.8	-65.8	-178.2	69.8	-152.1	2.8	109.9	L449 E450	R371-L449 HydrophobicContact CB-CB 4.36Å; R371-L449 HydrophobicContact CB-CD1 3.79Å; R371-L449 PolarHBondContact O-N 3.02Å; R371-E450 IonicContact NH1-OE1 2.89Å; R371-E450 PolarHBondContact NH1-OE1 3.28Å; R371-E450 VanDerWaalsContact NH1-OE1 3.11Å
372	T	95.3	Very high	95.3	Very high	40 Å²	40	42.4 Å²	42.4	25%	0.245	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	167	-175.8	62.4	0	0	0	0	112.6	A370 H446 N447 M448 P479	A370-T372 PolarHBondContact O-N 3.37Å; T372-H446 HydrophobicContact CG2-CB 3.76Å; T372-N447 CarbonylContact C-O 3.5Å; T372-N447 WeakPolarHBondContact CA-O 3.17Å; T372-M448 HydrophobicContact CG2-SD 3.85Å; T372-P479 HydrophobicContact CG2-CB 3.82Å; T372-P479 HydrophobicContact CG2-CG 3.56Å
373	N	93.6	Very high	95.1	Very high	93 Å²	93	43.1 Å²	43.1	50%	0.497	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	93.3	169.1	-176.5	15.5	0	0	0	110.3	N447	N373-N447 PolarHBondContact N-O 3.12Å; N373-N447 WeakPolarHBondContact O-CB 3.35Å; N373-N447 PolarHBondContact O-ND2 2.73Å
374	N	91.5	Very high	94.8	Very high	122 Å²	122	46 Å²	46	65%	0.652	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	57.8	175	-178.5	-59.9	-49.3	0	0	0	114.5	N447	N374-N447 PolarHBondContact O-N 3.5Å; N374-N447 VanDerWaalsContact O-N 3.15Å
375	F	94.6	Very high	94.5	Very high	43 Å²	43	46.5 Å²	46.5	19%	0.189	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	152.5	174.9	-57.8	-65.8	0	0	0	112.1	V377 L380 H446 N447 P487 L488	F375-V377 PolarHBondContact O-N 3.41Å; F375-L380 HydrophobicContact CB-CD1 3.74Å; F375-L380 HydrophobicContact CB-CD2 4.34Å; F375-L380 HydrophobicContact CB-CG 3.82Å; F375-L380 HydrophobicContact CD2-CD1 4.41Å; F375-L380 HydrophobicContact CD2-CD2 4.26Å; F375-L380 HydrophobicContact CG-CD2 4.48Å; F375-L380 HydrophobicContact CG-CG 4.47Å; F375-H446 AromaticContact CD1-CD2 3.6Å; F375-H446 AromaticContact CD1-CE1 3.8Å; F375-H446 AromaticContact CD1-NE2 3.21Å; F375-H446 WeakPolarHBondContact CD1-NE2 3.4Å; F375-H446 AromaticContact CE1-CD2 3.91Å; F375-H446 AromaticContact CE1-CE1 3.74Å; F375-H446 AromaticContact CE1-NE2 3.1Å; F375-H446 WeakPolarHBondContact CE1-NE2 3.43Å; F375-N447 PolarHBondContact O-ND2 3.12Å; F375-N447 VanDerWaalsContact O-ND2 3.13Å; F375-P487 HydrophobicContact CD2-CG 3.91Å; F375-P487 HydrophobicContact CE2-CG 3.36Å; F375-P487 HydrophobicContact CZ-CG 3.89Å; F375-L488 HydrophobicContact CB-CD1 4.22Å; F375-L488 HydrophobicContact CD1-CD1 3.28Å; F375-L488 HydrophobicContact CD1-CG 3.82Å; F375-L488 HydrophobicContact CE1-CD1 3.84Å; F375-L488 HydrophobicContact CE1-CG 4.1Å; F375-L488 HydrophobicContact CG-CD1 3.9Å; F375-L488 HydrophobicContact CG-CG 4.16Å
376	N	92.3	Very high	94.2	Very high	33 Å²	33	49.3 Å²	49.3	18%	0.176	26%	0.257	C	S	.	.			trans	-66.2	130.6	169	-179.4	-16	0	0	0	109.6	E378 T379 L380 T445	N376-E378 VanDerWaalsContact C-N 3.26Å; N376-E378 PolarHBondContact O-N 3.03Å; N376-E378 PolarHBondContact OD1-N 2.98Å; N376-T379 PolarHBondContact O-N 2.83Å; N376-T379 VanDerWaalsContact O-N 3.16Å; N376-L380 PolarHBondContact O-N 3.45Å; N376-L380 VanDerWaalsContact O-N 3.15Å; N376-T445 WeakPolarHBondContact CB-O 3.25Å; N376-T445 PolarHBondContact N-O 3.16Å
377	V	92.9	Very high	94	Very high	101 Å²	101	55.1 Å²	55.1	61%	0.612	28%	0.282	S	S	*	.	H	α-helix	trans	-56.7	-39.7	179.6	179.4	0	0	0	0	111.6	F375 T379 L380 K381	F375-V377 PolarHBondContact O-N 3.41Å; V377-T379 VanDerWaalsContact C-N 3.33Å; V377-T379 PolarHBondContact O-N 3.43Å; V377-L380 PolarHBondContact O-N 3.03Å; V377-K381 WeakPolarHBondContact O-CB 3.44Å; V377-K381 PolarHBondContact O-N 3.12Å
378	E	91.9	Very high	93.7	Very high	55 Å²	55	58.8 Å²	58.8	26%	0.257	30%	0.299	S	S	.	.	H	α-helix	trans	-65.8	-36.7	-179.5	-73.3	-58.4	140.8	0	0	112.4	Y313 N376 G382 R437	Y313-E378 PolarHBondContact OH-OE2 3.44Å; Y313-E378 VanDerWaalsContact OH-OE2 3.05Å; N376-E378 VanDerWaalsContact C-N 3.26Å; N376-E378 PolarHBondContact O-N 3.03Å; N376-E378 PolarHBondContact OD1-N 2.98Å; E378-G382 PolarHBondContact O-N 3.21Å; E378-R437 IonicContact OE2-NE 3.22Å
379	T	92.7	Very high	93.5	Very high	1 Å²	1	61.6 Å²	61.6	1%	0.006	31%	0.314	C	S	.	.	H	α-helix	trans	-69.5	-44.5	177.9	-52.2	0	0	0	0	111	F307 H311 N376 V377 G382 Q383 P442 T445 L488	F307-T379 HydrophobicContact CE2-CG2 4.4Å; H311-T379 WeakPolarHBondContact ND1-CG2 3.35Å; N376-T379 PolarHBondContact O-N 2.83Å; N376-T379 VanDerWaalsContact O-N 3.16Å; V377-T379 VanDerWaalsContact C-N 3.33Å; V377-T379 PolarHBondContact O-N 3.43Å; T379-G382 PolarHBondContact O-N 3.44Å; T379-Q383 PolarHBondContact O-N 2.77Å; T379-Q383 VanDerWaalsContact O-N 3.16Å; T379-P442 WeakPolarHBondContact OG1-CG 3.31Å; T379-T445 HydrophobicContact CG2-CG2 4.19Å; T379-L488 HydrophobicContact CG2-CD1 3.71Å; T379-L488 HydrophobicContact CG2-CD2 3.79Å; T379-L488 HydrophobicContact CG2-CG 4.33Å
380	L	93.8	Very high	93.3	Very high	68 Å²	68	66.4 Å²	66.4	36%	0.356	33%	0.327	S	S	.	.	H	α-helix	trans	-62.6	-45.8	175.3	-77.8	171.3	0	0	0	111.9	F375 N376 V377 G382 Q383 A384 P487 L488	F375-L380 HydrophobicContact CB-CD1 3.74Å; F375-L380 HydrophobicContact CB-CD2 4.34Å; F375-L380 HydrophobicContact CB-CG 3.82Å; F375-L380 HydrophobicContact CD2-CD1 4.41Å; F375-L380 HydrophobicContact CD2-CD2 4.26Å; F375-L380 HydrophobicContact CG-CD2 4.48Å; F375-L380 HydrophobicContact CG-CG 4.47Å; N376-L380 PolarHBondContact O-N 3.45Å; N376-L380 VanDerWaalsContact O-N 3.15Å; V377-L380 PolarHBondContact O-N 3.03Å; L380-G382 VanDerWaalsContact C-N 3.3Å; L380-G382 PolarHBondContact O-N 3.05Å; L380-Q383 PolarHBondContact O-N 2.97Å; L380-A384 PolarHBondContact O-N 3.11Å; L380-P487 HydrophobicContact CD2-CB 4.39Å; L380-P487 HydrophobicContact CD2-CG 4.24Å; L380-L488 HydrophobicContact CD2-CD2 3.57Å; L380-L488 HydrophobicContact CD2-CG 4.4Å; L380-L488 HydrophobicContact CG-CD2 3.99Å
381	K	93.1	Very high	93.3	Very high	94 Å²	94	68.7 Å²	68.7	41%	0.409	34%	0.336	S	S	.	.	H	α-helix	trans	-58.2	-44.1	176.3	-177.1	-174	174.4	-166.5	0	111	V377 Q383 A384 V385	V377-K381 WeakPolarHBondContact O-CB 3.44Å; V377-K381 PolarHBondContact O-N 3.12Å; K381-Q383 VanDerWaalsContact C-N 3.35Å; K381-Q383 PolarHBondContact O-N 3.06Å; K381-A384 PolarHBondContact O-N 3.18Å; K381-V385 HydrophobicContact CG-CG2 4.38Å; K381-V385 WeakPolarHBondContact O-CG2 3.48Å; K381-V385 PolarHBondContact O-N 3.39Å
382	G	93.3	Very high	93.2	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-58.5	-43.2	176.7	0	0	0	0	0	113.2	G310 E378 T379 L380 V385 R386	G310-G382 CarbonylContact O-C 3.35Å; G310-G382 WeakPolarHBondContact O-CA 3.43Å; E378-G382 PolarHBondContact O-N 3.21Å; T379-G382 PolarHBondContact O-N 3.44Å; L380-G382 VanDerWaalsContact C-N 3.3Å; L380-G382 PolarHBondContact O-N 3.05Å; G382-V385 PolarHBondContact O-N 3.02Å; G382-R386 WeakPolarHBondContact O-CB 3.43Å; G382-R386 PolarHBondContact O-N 3.37Å
383	Q	94.4	Very high	93.1	Very high	15 Å²	15	62.5 Å²	62.5	7%	0.07	32%	0.322	C	S	.	.	H	α-helix	trans	-66.3	-38.1	175.5	-64.1	-51.1	-35.2	0	0	112.9	F307 T379 L380 K381 K387 L488	F307-Q383 PolarHBondContact O-NE2 3.1Å; T379-Q383 PolarHBondContact O-N 2.77Å; T379-Q383 VanDerWaalsContact O-N 3.16Å; L380-Q383 PolarHBondContact O-N 2.97Å; K381-Q383 VanDerWaalsContact C-N 3.35Å; K381-Q383 PolarHBondContact O-N 3.06Å; Q383-K387 PolarHBondContact O-N 3.47Å; Q383-L488 HydrophobicContact CG-CD2 4.11Å
384	A	93.4	Very high	93.2	Very high	60 Å²	60	60.2 Å²	60.2	50%	0.496	31%	0.309	S	S	.	.	H	α-helix	trans	-65.4	-44.8	175.4	0	0	0	0	0	112.1	L380 K381 K387 Q388	L380-A384 PolarHBondContact O-N 3.11Å; K381-A384 PolarHBondContact O-N 3.18Å; A384-K387 PolarHBondContact O-N 3.19Å; A384-Q388 WeakPolarHBondContact O-CB 3.3Å; A384-Q388 PolarHBondContact O-N 3.14Å
385	V	93	Very high	93.4	Very high	12 Å²	12	57.1 Å²	57.1	7%	0.073	29%	0.294	C	S	.	.	H	α-helix	trans	-61.3	-45.9	176.7	170.7	0	0	0	0	110.6	Y313 K381 G382 K387 Q388 L389 T435	Y313-V385 HydrophobicContact CD2-CG1 4.25Å; K381-V385 HydrophobicContact CG-CG2 4.38Å; K381-V385 WeakPolarHBondContact O-CG2 3.48Å; K381-V385 PolarHBondContact O-N 3.39Å; G382-V385 PolarHBondContact O-N 3.02Å; V385-K387 PolarHBondContact O-N 3.37Å; V385-Q388 PolarHBondContact O-N 3.14Å; V385-L389 HydrophobicContact CG1-CD1 4.46Å; V385-L389 WeakPolarHBondContact O-CG 3.18Å; V385-L389 PolarHBondContact O-N 3.11Å; V385-T435 HydrophobicContact CG1-CG2 4.11Å
386	R	92.9	Very high	93.3	Very high	61 Å²	61	55.7 Å²	55.7	23%	0.23	29%	0.289	C	S	.	.	H	α-helix	trans	-55.4	-49.7	174.6	179.1	-160.4	66.2	85	5.9	111.7	E306 R309 G382 Q388 L389 W390	E306-R386 WeakPolarHBondContact O-CD 3.43Å; E306-R386 IonicContact OE2-CZ 2.69Å; E306-R386 IonicContact OE2-NH1 3.38Å; E306-R386 PolarHBondContact OE2-NH1 2.8Å; R309-R386 HydrophobicContact CB-CG 4.37Å; G382-R386 WeakPolarHBondContact O-CB 3.43Å; G382-R386 PolarHBondContact O-N 3.37Å; R386-Q388 VanDerWaalsContact C-N 3.33Å; R386-Q388 PolarHBondContact O-N 3.29Å; R386-L389 WeakPolarHBondContact O-CB 3.2Å; R386-L389 PolarHBondContact O-N 2.87Å; R386-W390 PolarHBondContact O-N 2.96Å
387	K	92.7	Very high	93.4	Very high	122 Å²	122	59.8 Å²	59.8	53%	0.53	31%	0.305	S	S	.	.	H	α-helix	trans	-60.4	-44.6	179.7	-175.1	177.6	177.5	-178.8	0	111.1	Q383 A384 V385 L389 W390 D391	Q383-K387 PolarHBondContact O-N 3.47Å; A384-K387 PolarHBondContact O-N 3.19Å; V385-K387 PolarHBondContact O-N 3.37Å; K387-L389 PolarHBondContact O-N 2.97Å; K387-W390 WeakPolarHBondContact O-CB 3.22Å; K387-W390 PolarHBondContact O-N 2.86Å; K387-D391 VanDerWaalsContact O-CG 3.23Å; K387-D391 PolarHBondContact O-N 3.07Å
388	Q	92.6	Very high	93.4	Very high	82 Å²	82	61.2 Å²	61.2	38%	0.383	31%	0.305	S	S	.	.	H	α-helix	trans	-60.8	-41.8	177.1	-174.6	-177.3	-0.1	0	0	112.7	A384 V385 R386 W390 T392	A384-Q388 WeakPolarHBondContact O-CB 3.3Å; A384-Q388 PolarHBondContact O-N 3.14Å; V385-Q388 PolarHBondContact O-N 3.14Å; R386-Q388 VanDerWaalsContact C-N 3.33Å; R386-Q388 PolarHBondContact O-N 3.29Å; Q388-W390 VanDerWaalsContact C-N 3.35Å; Q388-T392 WeakPolarHBondContact O-CB 3.39Å; Q388-T392 PolarHBondContact O-N 3.41Å; Q388-T392 PolarHBondContact O-OG1 3.12Å
389	L	92.4	Very high	93.4	Very high	60 Å²	60	62.8 Å²	62.8	31%	0.314	31%	0.309	S	S	.	.	H	α-helix	trans	-60.3	-46.1	174.3	-72.7	174.6	0	0	0	111.1	V385 R386 K387 T392 A393 A431 T435	V385-L389 HydrophobicContact CG1-CD1 4.46Å; V385-L389 WeakPolarHBondContact O-CG 3.18Å; V385-L389 PolarHBondContact O-N 3.11Å; R386-L389 WeakPolarHBondContact O-CB 3.2Å; R386-L389 PolarHBondContact O-N 2.87Å; K387-L389 PolarHBondContact O-N 2.97Å; L389-T392 PolarHBondContact O-N 2.94Å; L389-A393 WeakPolarHBondContact O-CB 3.49Å; L389-A393 PolarHBondContact O-N 3.08Å; L389-A431 HydrophobicContact CD2-CB 3.7Å; L389-A431 WeakPolarHBondContact CD2-O 3.43Å; L389-T435 HydrophobicContact CD1-CG2 3.57Å; L389-T435 HydrophobicContact CD2-CG2 3.71Å; L389-T435 HydrophobicContact CG-CG2 4.02Å
390	W	92.8	Very high	93.4	Very high	137 Å²	137	65.6 Å²	65.6	52%	0.519	32%	0.321	S	S	.	.	H	α-helix	trans	-61	-49.7	178.9	179.5	-94.3	0	0	0	111.7	R386 K387 Q388 T392 A393 Q394	R386-W390 PolarHBondContact O-N 2.96Å; K387-W390 WeakPolarHBondContact O-CB 3.22Å; K387-W390 PolarHBondContact O-N 2.86Å; Q388-W390 VanDerWaalsContact C-N 3.35Å; W390-T392 VanDerWaalsContact C-N 3.28Å; W390-T392 PolarHBondContact O-N 3.41Å; W390-A393 WeakPolarHBondContact O-CB 3.35Å; W390-A393 PolarHBondContact O-N 3.05Å; W390-A393 VanDerWaalsContact O-N 3.09Å; W390-Q394 VanDerWaalsContact CE2-NE2 3.34Å; W390-Q394 HydrophobicContact CG-CG 4.5Å; W390-Q394 HydrophobicContact CZ2-CG 4.49Å; W390-Q394 WeakPolarHBondContact O-CG 3.3Å; W390-Q394 PolarHBondContact O-N 3.26Å
391	D	94.5	Very high	93.3	Very high	74 Å²	74	63.9 Å²	63.9	40%	0.396	32%	0.32	S	S	.	.	H	α-helix	trans	-61.7	-38.5	-179.8	-64.6	-16.7	0	0	0	111.2	K387 Q394 T395	K387-D391 VanDerWaalsContact O-CG 3.23Å; K387-D391 PolarHBondContact O-N 3.07Å; D391-Q394 PolarHBondContact O-N 3.27Å; D391-T395 WeakPolarHBondContact O-CB 3.34Å; D391-T395 PolarHBondContact O-N 3.45Å; D391-T395 PolarHBondContact O-OG1 2.88Å
392	T	94.3	Very high	93.2	Very high	25 Å²	25	66 Å²	66	15%	0.153	33%	0.329	C	S	.	.	H	α-helix	trans	-62.2	-46.7	173.4	-55.5	0	0	0	0	110.9	Q388 L389 W390 T395 V396 I427 A431	Q388-T392 WeakPolarHBondContact O-CB 3.39Å; Q388-T392 PolarHBondContact O-N 3.41Å; Q388-T392 PolarHBondContact O-OG1 3.12Å; L389-T392 PolarHBondContact O-N 2.94Å; W390-T392 VanDerWaalsContact C-N 3.28Å; W390-T392 PolarHBondContact O-N 3.41Å; T392-T395 PolarHBondContact O-N 2.83Å; T392-V396 WeakPolarHBondContact O-CG2 3.07Å; T392-V396 PolarHBondContact O-N 3.02Å; T392-I427 HydrophobicContact CG2-CB 4.22Å; T392-I427 HydrophobicContact CG2-CD1 4.13Å; T392-I427 HydrophobicContact CG2-CG1 3.96Å; T392-A431 HydrophobicContact CG2-CB 4.12Å
393	A	93.5	Very high	93	Very high	54 Å²	54	68.6 Å²	68.6	45%	0.446	34%	0.341	S	S	.	.	H	α-helix	trans	-64.5	-39.4	178.7	0	0	0	0	0	112.5	L389 W390 V396 K397	L389-A393 WeakPolarHBondContact O-CB 3.49Å; L389-A393 PolarHBondContact O-N 3.08Å; W390-A393 WeakPolarHBondContact O-CB 3.35Å; W390-A393 PolarHBondContact O-N 3.05Å; W390-A393 VanDerWaalsContact O-N 3.09Å; A393-V396 PolarHBondContact O-N 2.86Å; A393-K397 VanDerWaalsContact O-CB 3.28Å; A393-K397 WeakPolarHBondContact O-CB 3.46Å; A393-K397 PolarHBondContact O-N 3.43Å
394	Q	95.2	Very high	92.9	Very high	45 Å²	45	70.6 Å²	70.6	21%	0.21	35%	0.352	C	S	.	.	H	α-helix	trans	-62.7	-45.4	175.1	-68.8	-58.1	-41.9	0	0	111.5	W390 D391 V396 K397 E398	W390-Q394 VanDerWaalsContact CE2-NE2 3.34Å; W390-Q394 HydrophobicContact CG-CG 4.5Å; W390-Q394 HydrophobicContact CZ2-CG 4.49Å; W390-Q394 WeakPolarHBondContact O-CG 3.3Å; W390-Q394 PolarHBondContact O-N 3.26Å; D391-Q394 PolarHBondContact O-N 3.27Å; Q394-V396 VanDerWaalsContact C-N 3.35Å; Q394-V396 PolarHBondContact O-N 2.85Å; Q394-K397 WeakPolarHBondContact O-CB 3.43Å; Q394-K397 PolarHBondContact O-N 2.85Å; Q394-E398 WeakPolarHBondContact O-CG 3.45Å; Q394-E398 PolarHBondContact O-N 3.26Å
395	T	94.2	Very high	92.7	Very high	58 Å²	58	74.8 Å²	74.8	36%	0.356	36%	0.356	S	S	.	.	H	α-helix	trans	-59	-46.4	177.7	-56.7	0	0	0	0	111.4	D391 T392 E398 R399	D391-T395 WeakPolarHBondContact O-CB 3.34Å; D391-T395 PolarHBondContact O-N 3.45Å; D391-T395 PolarHBondContact O-OG1 2.88Å; T392-T395 PolarHBondContact O-N 2.83Å; T395-E398 PolarHBondContact O-N 3.43Å; T395-R399 WeakPolarHBondContact O-CG 3.41Å; T395-R399 PolarHBondContact O-N 2.89Å; T395-R399 VanDerWaalsContact O-N 3.11Å
396	V	93.6	Very high	92.5	Very high	13 Å²	13	78.9 Å²	78.9	8%	0.079	37%	0.374	C	S	.	.	H	α-helix	trans	-65.4	-41.9	177.3	175.1	0	0	0	0	111.1	T392 A393 Q394 E398 R399 F400 L420 D424 I427 M428	T392-V396 WeakPolarHBondContact O-CG2 3.07Å; T392-V396 PolarHBondContact O-N 3.02Å; A393-V396 PolarHBondContact O-N 2.86Å; Q394-V396 VanDerWaalsContact C-N 3.35Å; Q394-V396 PolarHBondContact O-N 2.85Å; V396-E398 PolarHBondContact O-N 2.88Å; V396-R399 PolarHBondContact O-N 3.22Å; V396-F400 VanDerWaalsContact O-CB 3.23Å; V396-F400 WeakPolarHBondContact O-CB 3.43Å; V396-F400 PolarHBondContact O-N 3.05Å; V396-L420 HydrophobicContact CG1-CD2 3.56Å; V396-D424 HydrophobicContact CG1-CB 4.37Å; V396-D424 HydrophobicContact CG2-CB 4.16Å; V396-I427 HydrophobicContact CG2-CD1 3.79Å; V396-I427 HydrophobicContact CG2-CG1 4.27Å; V396-M428 HydrophobicContact CG1-SD 4.36Å; V396-M428 HydrophobicContact CG2-CG 4.14Å; V396-M428 HydrophobicContact CG2-SD 4.46Å
397	K	93.9	Very high	92.3	Very high	119 Å²	119	77.6 Å²	77.6	52%	0.517	37%	0.374	S	S	.	.	H	α-helix	trans	-59.7	-43.4	176.7	-176.8	-167.5	65	169.6	0	111.8	A393 Q394 G401	A393-K397 VanDerWaalsContact O-CB 3.28Å; A393-K397 WeakPolarHBondContact O-CB 3.46Å; A393-K397 PolarHBondContact O-N 3.43Å; Q394-K397 WeakPolarHBondContact O-CB 3.43Å; Q394-K397 PolarHBondContact O-N 2.85Å; K397-G401 PolarHBondContact O-N 2.72Å
398	E	94	Very high	92.1	Very high	131 Å²	131	76.7 Å²	76.7	61%	0.612	38%	0.375	S	S	*	.	H	α-helix	trans	-65.2	-46.4	178.4	-73.9	175.3	-174.8	0	0	111.9	Q394 T395 V396 F400 G401 K402	Q394-E398 WeakPolarHBondContact O-CG 3.45Å; Q394-E398 PolarHBondContact O-N 3.26Å; T395-E398 PolarHBondContact O-N 3.43Å; V396-E398 PolarHBondContact O-N 2.88Å; E398-F400 PolarHBondContact O-N 2.94Å; E398-G401 PolarHBondContact O-N 3.49Å; E398-K402 PolarHBondContact O-N 2.73Å
399	R	92	Very high	92	Very high	87 Å²	87	78.3 Å²	78.3	33%	0.328	39%	0.386	S	S	.	.	H	α-helix	trans	-59.6	-46.7	175.3	-72.2	176.6	174.9	-170.3	-5.3	111.6	T395 V396 K402 K403 E423 D424	T395-R399 WeakPolarHBondContact O-CG 3.41Å; T395-R399 PolarHBondContact O-N 2.89Å; T395-R399 VanDerWaalsContact O-N 3.11Å; V396-R399 PolarHBondContact O-N 3.22Å; R399-K402 PolarHBondContact O-N 3.48Å; R399-K403 PolarHBondContact O-N 3.05Å; R399-E423 IonicContact CZ-OE1 3.88Å; R399-E423 IonicContact NH1-OE1 2.7Å; R399-E423 PolarHBondContact NH1-OE1 2.82Å; R399-E423 IonicContact NH2-OE1 2.9Å; R399-E423 PolarHBondContact NH2-OE1 2.87Å; R399-D424 VanDerWaalsContact CD-OD1 3.29Å; R399-D424 WeakPolarHBondContact CD-OD1 3.45Å; R399-D424 IonicContact CZ-OD1 2.73Å; R399-D424 IonicContact NH1-OD1 3.43Å; R399-D424 PolarHBondContact NH1-OD1 2.99Å
400	F	92.1	Very high	91.8	Very high	60 Å²	60	80.5 Å²	80.5	26%	0.263	40%	0.401	S	S	.	.	H	α-helix	trans	-61.2	-48.2	176.6	-178.8	-84.9	0	0	0	111.4	V396 E398 K402 K403 L404 V416 M419 L420	V396-F400 VanDerWaalsContact O-CB 3.23Å; V396-F400 WeakPolarHBondContact O-CB 3.43Å; V396-F400 PolarHBondContact O-N 3.05Å; E398-F400 PolarHBondContact O-N 2.94Å; F400-K402 VanDerWaalsContact C-N 3.32Å; F400-K402 PolarHBondContact O-N 3.47Å; F400-K403 PolarHBondContact O-N 2.82Å; F400-L404 HydrophobicContact CE1-CB 4.43Å; F400-L404 HydrophobicContact CE1-CD2 4.1Å; F400-L404 WeakPolarHBondContact O-CB 3.43Å; F400-L404 PolarHBondContact O-N 3.16Å; F400-V416 HydrophobicContact CE2-CG1 4.4Å; F400-M419 HydrophobicContact CD2-CB 3.48Å; F400-M419 VanDerWaalsContact CD2-CB 3.48Å; F400-M419 HydrophobicContact CD2-CG 4.46Å; F400-M419 HydrophobicContact CD2-SD 4.28Å; F400-M419 HydrophobicContact CE1-SD 4.18Å; F400-M419 HydrophobicContact CE2-CB 3.35Å; F400-M419 HydrophobicContact CE2-CG 3.99Å; F400-M419 HydrophobicContact CE2-SD 3.51Å; F400-M419 VanDerWaalsContact CE2-SD 3.51Å; F400-M419 HydrophobicContact CZ-CB 4.28Å; F400-M419 HydrophobicContact CZ-SD 3.44Å; F400-M419 WeakPolarHBondContact CZ-SD 3.45Å; F400-L420 HydrophobicContact CD2-CD2 4.05Å; F400-L420 HydrophobicContact CD2-CG 4.28Å
401	G	91.8	Very high	91.3	Very high	33 Å²	33	77.3 Å²	77.3	34%	0.34	41%	0.41	S	S	.	.	H	α-helix	trans	-60.2	-39.5	-179.8	0	0	0	0	0	112.8	K397 E398 L404 Y405	K397-G401 PolarHBondContact O-N 2.72Å; E398-G401 PolarHBondContact O-N 3.49Å; G401-L404 PolarHBondContact O-N 2.88Å; G401-Y405 WeakPolarHBondContact O-CB 3.48Å; G401-Y405 PolarHBondContact O-N 3.21Å
402	K	91.2	Very high	90.5	Very high	138 Å²	138	80.4 Å²	80.4	60%	0.6	42%	0.423	S	S	*	.	H	α-helix	trans	-63	-48.5	175.2	-173.8	177.9	176.3	-177.2	0	112.1	E398 R399 F400 L404 Y405 E406	E398-K402 PolarHBondContact O-N 2.73Å; R399-K402 PolarHBondContact O-N 3.48Å; F400-K402 VanDerWaalsContact C-N 3.32Å; F400-K402 PolarHBondContact O-N 3.47Å; K402-L404 VanDerWaalsContact C-N 3.32Å; K402-L404 PolarHBondContact O-N 3.24Å; K402-Y405 PolarHBondContact O-N 3.4Å; K402-E406 WeakPolarHBondContact CE-OE1 3.31Å; K402-E406 WeakPolarHBondContact O-CG 3.27Å; K402-E406 PolarHBondContact O-N 2.96Å
403	K	89.6	Confident	90	Very high	54 Å²	54	87.1 Å²	87.1	24%	0.235	46%	0.457	C	S	.	.	H	α-helix	trans	-64.3	-37.3	177.2	-71.4	178.4	-178.2	174.2	0	112.6	R399 F400 E406 S407 M419 D421	R399-K403 PolarHBondContact O-N 3.05Å; F400-K403 PolarHBondContact O-N 2.82Å; K403-E406 PolarHBondContact O-N 3.16Å; K403-S407 WeakPolarHBondContact O-CB 3.44Å; K403-S407 PolarHBondContact O-N 2.85Å; K403-M419 VanDerWaalsContact CD-O 3.28Å; K403-M419 WeakPolarHBondContact CD-O 3.42Å; K403-M419 PolarHBondContact NZ-O 3.3Å; K403-M419 VanDerWaalsContact NZ-O 3.15Å; K403-D421 IonicContact NZ-OD1 2.7Å; K403-D421 PolarHBondContact NZ-OD1 2.7Å; K403-D421 IonicContact NZ-OD2 2.85Å; K403-D421 PolarHBondContact NZ-OD2 3.3Å
404	L	90.9	Very high	89.5	Confident	58 Å²	58	85.4 Å²	85.4	30%	0.304	44%	0.441	S	S	.	.	H	α-helix	trans	-60.7	-48.4	174.4	176	62.5	0	0	0	110.9	F400 G401 K402 S407 L408 P414 M419	F400-L404 HydrophobicContact CE1-CB 4.43Å; F400-L404 HydrophobicContact CE1-CD2 4.1Å; F400-L404 WeakPolarHBondContact O-CB 3.43Å; F400-L404 PolarHBondContact O-N 3.16Å; G401-L404 PolarHBondContact O-N 2.88Å; K402-L404 VanDerWaalsContact C-N 3.32Å; K402-L404 PolarHBondContact O-N 3.24Å; L404-S407 PolarHBondContact O-N 3.36Å; L404-L408 HydrophobicContact CD1-CD1 4.06Å; L404-L408 HydrophobicContact CD1-CG 4.22Å; L404-L408 HydrophobicContact CG-CD1 4.07Å; L404-L408 VanDerWaalsContact O-CG 3.26Å; L404-L408 WeakPolarHBondContact O-CG 3.28Å; L404-L408 PolarHBondContact O-N 2.92Å; L404-P414 HydrophobicContact CD1-CB 4.19Å; L404-P414 HydrophobicContact CD1-CG 3.45Å; L404-P414 VanDerWaalsContact CD1-CG 3.45Å; L404-M419 VanDerWaalsContact CA-CE 3.42Å; L404-M419 HydrophobicContact CB-CE 3.8Å; L404-M419 HydrophobicContact CD1-CE 3.71Å; L404-M419 HydrophobicContact CD1-SD 4.38Å; L404-M419 HydrophobicContact CG-CE 4.38Å
405	Y	90.3	Very high	89	Confident	148 Å²	148	86.8 Å²	86.8	58%	0.58	45%	0.45	S	S	*	.	H	α-helix	trans	-59.6	-47.3	176.3	177.8	-108.3	0	0	0	112.2	G401 K402 S407 L408 L409	G401-Y405 WeakPolarHBondContact O-CB 3.48Å; G401-Y405 PolarHBondContact O-N 3.21Å; K402-Y405 PolarHBondContact O-N 3.4Å; Y405-S407 PolarHBondContact O-N 2.91Å; Y405-L408 PolarHBondContact O-N 3.26Å; Y405-L409 HydrophobicContact CD1-CD1 4Å; Y405-L409 HydrophobicContact CE1-CD1 3.45Å; Y405-L409 VanDerWaalsContact CE1-CD1 3.45Å; Y405-L409 HydrophobicContact CE1-CG 4.18Å; Y405-L409 HydrophobicContact CE2-CD1 4.39Å; Y405-L409 HydrophobicContact CE2-CD2 4.36Å; Y405-L409 HydrophobicContact CE2-CG 4.28Å; Y405-L409 WeakPolarHBondContact O-CG 3.45Å; Y405-L409 PolarHBondContact O-N 3.46Å
406	E	89.1	Confident	88.4	Confident	98 Å²	98	88.7 Å²	88.7	46%	0.458	46%	0.461	S	S	.	.	H	α-helix	trans	-59.9	-42.9	177.5	-73	172.2	-174.7	0	0	112.1	K402 K403 L409 V410	K402-E406 WeakPolarHBondContact CE-OE1 3.31Å; K402-E406 WeakPolarHBondContact O-CG 3.27Å; K402-E406 PolarHBondContact O-N 2.96Å; K403-E406 PolarHBondContact O-N 3.16Å; E406-L409 PolarHBondContact O-N 3.14Å; E406-V410 WeakPolarHBondContact O-CG2 3.29Å; E406-V410 PolarHBondContact O-N 3Å
407	S	87.4	Confident	87.8	Confident	34 Å²	34	92.4 Å²	92.4	24%	0.238	49%	0.488	C	S	.	.	H	α-helix	trans	-66.2	-38.6	177.3	-171.6	0	0	0	0	112.7	K403 L404 Y405 L409 V410 P414	K403-S407 WeakPolarHBondContact O-CB 3.44Å; K403-S407 PolarHBondContact O-N 2.85Å; L404-S407 PolarHBondContact O-N 3.36Å; Y405-S407 PolarHBondContact O-N 2.91Å; S407-L409 VanDerWaalsContact C-N 3.34Å; S407-V410 PolarHBondContact O-N 2.98Å; S407-P414 WeakPolarHBondContact OG-CA 3.26Å; S407-P414 WeakPolarHBondContact OG-CB 3.49Å
408	L	89.5	Confident	87.2	Confident	103 Å²	103	94.1 Å²	94.1	54%	0.539	50%	0.495	S	S	.	.	H	α-helix	trans	-67.3	-35.4	178	-70.8	172.3	0	0	0	111.8	L404 Y405 V410 G411 P414	L404-L408 HydrophobicContact CD1-CD1 4.06Å; L404-L408 HydrophobicContact CD1-CG 4.22Å; L404-L408 HydrophobicContact CG-CD1 4.07Å; L404-L408 VanDerWaalsContact O-CG 3.26Å; L404-L408 WeakPolarHBondContact O-CG 3.28Å; L404-L408 PolarHBondContact O-N 2.92Å; Y405-L408 PolarHBondContact O-N 3.26Å; L408-V410 PolarHBondContact O-N 2.88Å; L408-G411 PolarHBondContact O-N 3.49Å; L408-P414 HydrophobicContact CD2-CG 4.16Å; L408-P414 HydrophobicContact CG-CG 4.4Å
409	L	90.1	Very high	86.8	Confident	116 Å²	116	88.3 Å²	88.3	61%	0.607	47%	0.468	S	S	*	.	H	α-helix	trans	-62.7	-29.6	174.9	-76.1	177.1	0	0	0	113.2	Y405 E406 S407 G411	Y405-L409 HydrophobicContact CD1-CD1 4Å; Y405-L409 HydrophobicContact CE1-CD1 3.45Å; Y405-L409 VanDerWaalsContact CE1-CD1 3.45Å; Y405-L409 HydrophobicContact CE1-CG 4.18Å; Y405-L409 HydrophobicContact CE2-CD1 4.39Å; Y405-L409 HydrophobicContact CE2-CD2 4.36Å; Y405-L409 HydrophobicContact CE2-CG 4.28Å; Y405-L409 WeakPolarHBondContact O-CG 3.45Å; Y405-L409 PolarHBondContact O-N 3.46Å; E406-L409 PolarHBondContact O-N 3.14Å; S407-L409 VanDerWaalsContact C-N 3.34Å; L409-G411 PolarHBondContact O-N 3.15Å
410	V	87.6	Confident	86.6	Confident	106 Å²	106	86.4 Å²	86.4	64%	0.642	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-11.4	176.5	178.2	0	0	0	0	111.8	E406 S407 L408 Q412	E406-V410 WeakPolarHBondContact O-CG2 3.29Å; E406-V410 PolarHBondContact O-N 3Å; S407-V410 PolarHBondContact O-N 2.98Å; L408-V410 PolarHBondContact O-N 2.88Å; V410-Q412 VanDerWaalsContact C-N 3.32Å; V410-Q412 HydrophobicContact CG1-CG 4.47Å
411	G	82.9	Confident	86.5	Confident	69 Å²	69	87 Å²	87	71%	0.711	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.3	15.7	178.7	0	0	0	0	0	114.3	L408 L409	L408-G411 PolarHBondContact O-N 3.49Å; L409-G411 PolarHBondContact O-N 3.15Å
412	Q	78.3	Confident	86.4	Confident	140 Å²	140	94.2 Å²	94.2	65%	0.654	49%	0.492	S	S	*	.	S	Bend	trans	-110.6	144.9	174.8	-67.1	-175.3	-1.1	0	0	110.6	V410 P414	V410-Q412 VanDerWaalsContact C-N 3.32Å; V410-Q412 HydrophobicContact CG1-CG 4.47Å; Q412-P414 WeakPolarHBondContact O-CD 3.44Å
413	L	82	Confident	86.4	Confident	166 Å²	166	92.7 Å²	92.7	87%	0.869	49%	0.487	S	S	*	.			trans	-68.4	124.6	177.7	-152.7	144	0	0	0	109.1
414	P	83.5	Confident	86.4	Confident	17 Å²	17	90.1 Å²	90.1	11%	0.11	48%	0.476	C	S	.	.			trans	-68.7	139.2	-172.7	0.4	1.2	0	0	0	113.8	L404 S407 L408 Q412 V416 M419	L404-P414 HydrophobicContact CD1-CB 4.19Å; L404-P414 HydrophobicContact CD1-CG 3.45Å; L404-P414 VanDerWaalsContact CD1-CG 3.45Å; S407-P414 WeakPolarHBondContact OG-CA 3.26Å; S407-P414 WeakPolarHBondContact OG-CB 3.49Å; L408-P414 HydrophobicContact CD2-CG 4.16Å; L408-P414 HydrophobicContact CG-CG 4.4Å; Q412-P414 WeakPolarHBondContact O-CD 3.44Å; P414-V416 PolarHBondContact O-N 2.89Å; P414-M419 HydrophobicContact CB-CE 3.08Å; P414-M419 HydrophobicContact CB-SD 4.11Å; P414-M419 HydrophobicContact CG-CE 3.86Å
415	D	85	Confident	86.4	Confident	75 Å²	75	92 Å²	92	40%	0.401	48%	0.482	S	S	.	.			trans	-83.3	102	171.3	-179.4	-4.4	0	0	0	110.4	S417 K418 M419	D415-S417 VanDerWaalsContact CG-OG 3.32Å; D415-S417 PolarHBondContact O-N 3.33Å; D415-S417 VanDerWaalsContact O-N 3.11Å; D415-S417 WeakPolarHBondContact OD1-CB 3.47Å; D415-S417 PolarHBondContact OD1-N 3.35Å; D415-S417 VanDerWaalsContact OD1-N 3.11Å; D415-S417 PolarHBondContact OD1-OG 3.36Å; D415-S417 PolarHBondContact OD2-OG 3.22Å; D415-K418 HydrophobicContact CB-CD 4.24Å; D415-K418 HydrophobicContact CB-CG 4.44Å; D415-K418 PolarHBondContact O-N 2.94Å; D415-K418 WeakPolarHBondContact OD2-CD 3.44Å; D415-K418 WeakPolarHBondContact OD2-CE 3.01Å; D415-K418 IonicContact OD2-NZ 2.98Å; D415-K418 PolarHBondContact OD2-NZ 3.04Å; D415-M419 WeakPolarHBondContact O-CG 3.47Å
416	V	81.6	Confident	86.6	Confident	97 Å²	97	89.2 Å²	89.2	59%	0.588	48%	0.48	S	S	*	.	G	3₁₀ helix	trans	-54.4	-32.2	-177	-174.9	0	0	0	0	112.4	F400 P414 K418 M419	F400-V416 HydrophobicContact CE2-CG1 4.4Å; P414-V416 PolarHBondContact O-N 2.89Å; V416-K418 PolarHBondContact O-N 2.68Å; V416-M419 PolarHBondContact O-N 3.39Å
417	S	80.3	Confident	86.7	Confident	92 Å²	92	86.9 Å²	86.9	64%	0.643	47%	0.471	S	S	*	.	G	3₁₀ helix	trans	-68	-22.8	-179.2	72.9	0	0	0	0	113.3	D415	D415-S417 VanDerWaalsContact CG-OG 3.32Å; D415-S417 PolarHBondContact O-N 3.33Å; D415-S417 VanDerWaalsContact O-N 3.11Å; D415-S417 WeakPolarHBondContact OD1-CB 3.47Å; D415-S417 PolarHBondContact OD1-N 3.35Å; D415-S417 VanDerWaalsContact OD1-N 3.11Å; D415-S417 PolarHBondContact OD1-OG 3.36Å; D415-S417 PolarHBondContact OD2-OG 3.22Å
418	K	82	Confident	86.9	Confident	155 Å²	155	88 Å²	88	67%	0.674	47%	0.472	S	S	*	.	G	3₁₀ helix	trans	-97.1	-3.1	178.9	-65	178	-175.2	161.2	0	113.4	D415 V416	D415-K418 HydrophobicContact CB-CD 4.24Å; D415-K418 HydrophobicContact CB-CG 4.44Å; D415-K418 PolarHBondContact O-N 2.94Å; D415-K418 WeakPolarHBondContact OD2-CD 3.44Å; D415-K418 WeakPolarHBondContact OD2-CE 3.01Å; D415-K418 IonicContact OD2-NZ 2.98Å; D415-K418 PolarHBondContact OD2-NZ 3.04Å; V416-K418 PolarHBondContact O-N 2.68Å
419	M	84.8	Confident	87.1	Confident	8 Å²	8	89.1 Å²	89.1	4%	0.039	47%	0.473	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-27.2	-178.3	-61.3	-168.3	132.1	0	0	112.8	F400 K403 L404 P414 D415 V416	F400-M419 HydrophobicContact CD2-CB 3.48Å; F400-M419 VanDerWaalsContact CD2-CB 3.48Å; F400-M419 HydrophobicContact CD2-CG 4.46Å; F400-M419 HydrophobicContact CD2-SD 4.28Å; F400-M419 HydrophobicContact CE1-SD 4.18Å; F400-M419 HydrophobicContact CE2-CB 3.35Å; F400-M419 HydrophobicContact CE2-CG 3.99Å; F400-M419 HydrophobicContact CE2-SD 3.51Å; F400-M419 VanDerWaalsContact CE2-SD 3.51Å; F400-M419 HydrophobicContact CZ-CB 4.28Å; F400-M419 HydrophobicContact CZ-SD 3.44Å; F400-M419 WeakPolarHBondContact CZ-SD 3.45Å; K403-M419 VanDerWaalsContact CD-O 3.28Å; K403-M419 WeakPolarHBondContact CD-O 3.42Å; K403-M419 PolarHBondContact NZ-O 3.3Å; K403-M419 VanDerWaalsContact NZ-O 3.15Å; L404-M419 VanDerWaalsContact CA-CE 3.42Å; L404-M419 HydrophobicContact CB-CE 3.8Å; L404-M419 HydrophobicContact CD1-CE 3.71Å; L404-M419 HydrophobicContact CD1-SD 4.38Å; L404-M419 HydrophobicContact CG-CE 4.38Å; P414-M419 HydrophobicContact CB-CE 3.08Å; P414-M419 HydrophobicContact CB-SD 4.11Å; P414-M419 HydrophobicContact CG-CE 3.86Å; D415-M419 WeakPolarHBondContact O-CG 3.47Å; V416-M419 PolarHBondContact O-N 3.39Å
420	L	89.1	Confident	87.2	Confident	48 Å²	48	92.3 Å²	92.3	25%	0.251	48%	0.477	S	S	.	.	S	Bend	trans	-100.8	125.3	177.4	-65.6	173.6	0	0	0	110.4	V396 F400 D424 F425	V396-L420 HydrophobicContact CG1-CD2 3.56Å; F400-L420 HydrophobicContact CD2-CD2 4.05Å; F400-L420 HydrophobicContact CD2-CG 4.28Å; L420-D424 HydrophobicContact CD2-CB 4.43Å; L420-F425 HydrophobicContact CB-CD2 4.45Å; L420-F425 HydrophobicContact CB-CE2 3.7Å; L420-F425 HydrophobicContact CB-CZ 3.98Å; L420-F425 HydrophobicContact CD1-CZ 4.05Å
421	D	88.8	Confident	87.3	Confident	72 Å²	72	87.5 Å²	87.5	39%	0.385	45%	0.449	S	S	.	.			trans	-84.6	162.8	178.3	-64.1	-30.6	0	0	0	111.8	K403 E423 D424 F425	K403-D421 IonicContact NZ-OD1 2.7Å; K403-D421 PolarHBondContact NZ-OD1 2.7Å; K403-D421 IonicContact NZ-OD2 2.85Å; K403-D421 PolarHBondContact NZ-OD2 3.3Å; D421-E423 PolarHBondContact O-N 3.21Å; D421-D424 PolarHBondContact N-OD2 3.01Å; D421-D424 WeakPolarHBondContact O-CB 3.43Å; D421-D424 PolarHBondContact O-N 3.46Å; D421-F425 VanDerWaalsContact O-CD2 3.24Å; D421-F425 WeakPolarHBondContact O-CD2 3.48Å; D421-F425 PolarHBondContact O-N 3.42Å; D421-F425 VanDerWaalsContact O-N 3.13Å
422	K	89.6	Confident	87.6	Confident	185 Å²	185	89.2 Å²	89.2	80%	0.804	44%	0.44	S	S	*	.	H	α-helix	trans	-55.3	-33.1	172	-69.9	-176.4	179.4	178.3	0	112.5	T426	K422-T426 WeakPolarHBondContact O-CB 3.29Å; K422-T426 PolarHBondContact O-N 2.93Å; K422-T426 PolarHBondContact O-OG1 2.9Å
423	E	91.3	Very high	88.1	Confident	106 Å²	106	88.9 Å²	88.9	50%	0.495	44%	0.437	S	S	.	.	H	α-helix	trans	-64.4	-44.5	175.7	-167.4	-171.7	132.1	0	0	111.2	R399 D421 F425 T426 I427	R399-E423 IonicContact CZ-OE1 3.88Å; R399-E423 IonicContact NH1-OE1 2.7Å; R399-E423 PolarHBondContact NH1-OE1 2.82Å; R399-E423 IonicContact NH2-OE1 2.9Å; R399-E423 PolarHBondContact NH2-OE1 2.87Å; D421-E423 PolarHBondContact O-N 3.21Å; E423-F425 VanDerWaalsContact C-N 3.34Å; E423-F425 PolarHBondContact O-N 3.41Å; E423-T426 WeakPolarHBondContact O-CA 3.45Å; E423-T426 WeakPolarHBondContact O-CB 3.31Å; E423-T426 PolarHBondContact O-N 3.39Å; E423-I427 PolarHBondContact O-N 2.7Å
424	D	90.8	Very high	88.4	Confident	0 Å²	0	82.8 Å²	82.8	0%	0	41%	0.41	C	S	.	.	H	α-helix	trans	-60.6	-44.1	177.6	-58	-36.9	0	0	0	110.7	V396 R399 L420 D421 T426 I427 M428	V396-D424 HydrophobicContact CG1-CB 4.37Å; V396-D424 HydrophobicContact CG2-CB 4.16Å; R399-D424 VanDerWaalsContact CD-OD1 3.29Å; R399-D424 WeakPolarHBondContact CD-OD1 3.45Å; R399-D424 IonicContact CZ-OD1 2.73Å; R399-D424 IonicContact NH1-OD1 3.43Å; R399-D424 PolarHBondContact NH1-OD1 2.99Å; L420-D424 HydrophobicContact CD2-CB 4.43Å; D421-D424 PolarHBondContact N-OD2 3.01Å; D421-D424 WeakPolarHBondContact O-CB 3.43Å; D421-D424 PolarHBondContact O-N 3.46Å; D424-T426 VanDerWaalsContact C-N 3.27Å; D424-T426 PolarHBondContact O-N 3.43Å; D424-I427 WeakPolarHBondContact O-CG1 3.33Å; D424-I427 PolarHBondContact O-N 3.38Å; D424-M428 HydrophobicContact CB-CE 4.41Å; D424-M428 WeakPolarHBondContact O-CB 3.37Å; D424-M428 WeakPolarHBondContact O-CE 3.48Å; D424-M428 VanDerWaalsContact O-CG 3.26Å; D424-M428 WeakPolarHBondContact O-CG 3.29Å; D424-M428 PolarHBondContact O-N 2.79Å
425	F	91.1	Very high	88.5	Confident	97 Å²	97	83.4 Å²	83.4	43%	0.425	41%	0.414	S	S	.	.	H	α-helix	trans	-61.5	-35.1	172.9	-74.3	-71.7	0	0	0	113.1	L420 D421 E423 M428 K429	L420-F425 HydrophobicContact CB-CD2 4.45Å; L420-F425 HydrophobicContact CB-CE2 3.7Å; L420-F425 HydrophobicContact CB-CZ 3.98Å; L420-F425 HydrophobicContact CD1-CZ 4.05Å; D421-F425 VanDerWaalsContact O-CD2 3.24Å; D421-F425 WeakPolarHBondContact O-CD2 3.48Å; D421-F425 PolarHBondContact O-N 3.42Å; D421-F425 VanDerWaalsContact O-N 3.13Å; E423-F425 VanDerWaalsContact C-N 3.34Å; E423-F425 PolarHBondContact O-N 3.41Å; F425-M428 HydrophobicContact CD1-CE 3.91Å; F425-M428 HydrophobicContact CE1-CE 4.27Å; F425-M428 HydrophobicContact CG-CE 4.34Å; F425-K429 WeakPolarHBondContact O-CB 3.48Å; F425-K429 WeakPolarHBondContact O-CG 3.3Å; F425-K429 PolarHBondContact O-N 3.15Å
426	T	93.4	Very high	88.6	Confident	89 Å²	89	86.2 Å²	86.2	55%	0.546	43%	0.425	S	S	.	.	H	α-helix	trans	-70.3	-46.1	-179.6	-58.6	0	0	0	0	111.1	K422 E423 D424 K429 R430	K422-T426 WeakPolarHBondContact O-CB 3.29Å; K422-T426 PolarHBondContact O-N 2.93Å; K422-T426 PolarHBondContact O-OG1 2.9Å; E423-T426 WeakPolarHBondContact O-CA 3.45Å; E423-T426 WeakPolarHBondContact O-CB 3.31Å; E423-T426 PolarHBondContact O-N 3.39Å; D424-T426 VanDerWaalsContact C-N 3.27Å; D424-T426 PolarHBondContact O-N 3.43Å; T426-K429 PolarHBondContact O-N 2.66Å; T426-R430 WeakPolarHBondContact O-CB 3.29Å; T426-R430 PolarHBondContact O-N 3.3Å
427	I	92.2	Very high	88.7	Confident	50 Å²	50	83.4 Å²	83.4	26%	0.256	40%	0.403	S	S	.	.	H	α-helix	trans	-67.1	-39	177.6	64.8	176.8	0	0	0	111.4	T392 V396 E423 D424 R430 A431	T392-I427 HydrophobicContact CG2-CB 4.22Å; T392-I427 HydrophobicContact CG2-CD1 4.13Å; T392-I427 HydrophobicContact CG2-CG1 3.96Å; V396-I427 HydrophobicContact CG2-CD1 3.79Å; V396-I427 HydrophobicContact CG2-CG1 4.27Å; E423-I427 PolarHBondContact O-N 2.7Å; D424-I427 WeakPolarHBondContact O-CG1 3.33Å; D424-I427 PolarHBondContact O-N 3.38Å; I427-R430 PolarHBondContact O-N 3.25Å; I427-A431 WeakPolarHBondContact O-CB 3.35Å; I427-A431 PolarHBondContact O-N 3.14Å
428	M	91.9	Very high	88.8	Confident	56 Å²	56	88.9 Å²	88.9	28%	0.276	42%	0.419	S	S	.	.	H	α-helix	trans	-62.7	-46.5	174.8	-74.2	-171.2	-70.2	0	0	111.5	V396 D424 F425 R430 A431 I432	V396-M428 HydrophobicContact CG1-SD 4.36Å; V396-M428 HydrophobicContact CG2-CG 4.14Å; V396-M428 HydrophobicContact CG2-SD 4.46Å; D424-M428 HydrophobicContact CB-CE 4.41Å; D424-M428 WeakPolarHBondContact O-CB 3.37Å; D424-M428 WeakPolarHBondContact O-CE 3.48Å; D424-M428 VanDerWaalsContact O-CG 3.26Å; D424-M428 WeakPolarHBondContact O-CG 3.29Å; D424-M428 PolarHBondContact O-N 2.79Å; F425-M428 HydrophobicContact CD1-CE 3.91Å; F425-M428 HydrophobicContact CE1-CE 4.27Å; F425-M428 HydrophobicContact CG-CE 4.34Å; M428-R430 PolarHBondContact O-N 2.7Å; M428-A431 PolarHBondContact O-N 3.03Å; M428-I432 WeakPolarHBondContact O-CG1 2.94Å; M428-I432 PolarHBondContact O-N 2.89Å
429	K	92.9	Very high	89.2	Confident	128 Å²	128	84.4 Å²	84.4	56%	0.557	41%	0.406	S	S	*	.	H	α-helix	trans	-59.6	-46	175.8	-77	174.4	-178.2	-178	0	111.6	F425 T426 A431 I432 F433	F425-K429 WeakPolarHBondContact O-CB 3.48Å; F425-K429 WeakPolarHBondContact O-CG 3.3Å; F425-K429 PolarHBondContact O-N 3.15Å; T426-K429 PolarHBondContact O-N 2.66Å; K429-A431 VanDerWaalsContact C-N 3.3Å; K429-A431 PolarHBondContact O-N 3.3Å; K429-I432 PolarHBondContact O-N 3.01Å; K429-F433 HydrophobicContact CB-CE2 4.49Å; K429-F433 WeakPolarHBondContact O-CD2 3.4Å; K429-F433 PolarHBondContact O-N 2.79Å
430	R	91.8	Very high	89.5	Confident	183 Å²	183	88.8 Å²	88.8	69%	0.691	43%	0.426	S	S	*	.	H	α-helix	trans	-58.8	-42.6	176.8	-178.9	179.4	170.1	-174.7	-3.5	111.6	T426 I427 M428 F433 A434	T426-R430 WeakPolarHBondContact O-CB 3.29Å; T426-R430 PolarHBondContact O-N 3.3Å; I427-R430 PolarHBondContact O-N 3.25Å; M428-R430 PolarHBondContact O-N 2.7Å; R430-F433 PolarHBondContact O-N 2.77Å; R430-A434 PolarHBondContact O-N 3.09Å
431	A	89.8	Confident	89.8	Confident	5 Å²	5	86.6 Å²	86.6	4%	0.041	42%	0.415	C	S	.	.	H	α-helix	trans	-64	-42.4	177.2	0	0	0	0	0	111.2	L389 T392 I427 M428 K429 A434 T435	L389-A431 HydrophobicContact CD2-CB 3.7Å; L389-A431 WeakPolarHBondContact CD2-O 3.43Å; T392-A431 HydrophobicContact CG2-CB 4.12Å; I427-A431 WeakPolarHBondContact O-CB 3.35Å; I427-A431 PolarHBondContact O-N 3.14Å; M428-A431 PolarHBondContact O-N 3.03Å; K429-A431 VanDerWaalsContact C-N 3.3Å; K429-A431 PolarHBondContact O-N 3.3Å; A431-A434 WeakPolarHBondContact O-CB 3.43Å; A431-A434 PolarHBondContact O-N 3.35Å; A431-T435 WeakPolarHBondContact O-CG2 3.33Å
432	I	89.4	Confident	90.2	Very high	104 Å²	104	84 Å²	84	53%	0.533	40%	0.403	S	S	.	.	H	α-helix	trans	-61.6	-44.9	174.1	-67.7	164.7	0	0	0	111.5	M428 K429 A434 T435	M428-I432 WeakPolarHBondContact O-CG1 2.94Å; M428-I432 PolarHBondContact O-N 2.89Å; K429-I432 PolarHBondContact O-N 3.01Å; I432-A434 PolarHBondContact O-N 2.98Å; I432-T435 WeakPolarHBondContact O-CB 3.47Å; I432-T435 PolarHBondContact O-N 3.43Å; I432-T435 PolarHBondContact O-OG1 2.96Å
433	F	89.6	Confident	90.6	Very high	134 Å²	134	76.2 Å²	76.2	59%	0.588	37%	0.37	S	S	*	.	H	α-helix	trans	-59.7	-32	177.6	-81	-68.5	0	0	0	112.7	K429 R430 T435 Q436	K429-F433 HydrophobicContact CB-CE2 4.49Å; K429-F433 WeakPolarHBondContact O-CD2 3.4Å; K429-F433 PolarHBondContact O-N 2.79Å; R430-F433 PolarHBondContact O-N 2.77Å; F433-T435 PolarHBondContact O-N 3.23Å; F433-Q436 PolarHBondContact O-N 3.41Å
434	A	86.8	Confident	90.9	Very high	37 Å²	37	71.7 Å²	71.7	31%	0.306	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-16.3	175.5	0	0	0	0	0	113.8	R430 A431 I432 Q436	R430-A434 PolarHBondContact O-N 3.09Å; A431-A434 WeakPolarHBondContact O-CB 3.43Å; A431-A434 PolarHBondContact O-N 3.35Å; I432-A434 PolarHBondContact O-N 2.98Å; A434-Q436 VanDerWaalsContact C-N 3.33Å
435	T	87	Confident	91.2	Very high	31 Å²	31	71.7 Å²	71.7	19%	0.19	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-9.6	178.1	72	0	0	0	0	114	G314 V385 L389 A431 I432 F433 R437	G314-T435 WeakPolarHBondContact CA-O 3.5Å; V385-T435 HydrophobicContact CG1-CG2 4.11Å; L389-T435 HydrophobicContact CD1-CG2 3.57Å; L389-T435 HydrophobicContact CD2-CG2 3.71Å; L389-T435 HydrophobicContact CG-CG2 4.02Å; A431-T435 WeakPolarHBondContact O-CG2 3.33Å; I432-T435 WeakPolarHBondContact O-CB 3.47Å; I432-T435 PolarHBondContact O-N 3.43Å; I432-T435 PolarHBondContact O-OG1 2.96Å; F433-T435 PolarHBondContact O-N 3.23Å; T435-R437 PolarHBondContact O-N 2.98Å
436	Q	85.9	Confident	91.5	Very high	134 Å²	134	67.4 Å²	67.4	63%	0.626	33%	0.332	S	S	*	.			trans	-66.8	127.2	-179.1	-66.6	-174.5	-8.2	0	0	110.5	F433 A434	F433-Q436 PolarHBondContact O-N 3.41Å; A434-Q436 VanDerWaalsContact C-N 3.33Å
437	R	85.1	Confident	91.7	Very high	38 Å²	38	66.6 Å²	66.6	14%	0.143	32%	0.324	C	S	.	.			trans	-132.9	142.5	-177	-170.2	-178.1	-177.4	-177.2	-10.7	110.2	Y313 E378 T435 C439 Q440	Y313-R437 HydrophobicContact CE2-CB 3.92Å; Y313-R437 HydrophobicContact CE2-CG 4.18Å; E378-R437 IonicContact OE2-NE 3.22Å; T435-R437 PolarHBondContact O-N 2.98Å; R437-C439 VanDerWaalsContact CD-O 3.24Å; R437-C439 WeakPolarHBondContact CD-O 3.28Å; R437-C439 WeakPolarHBondContact CG-O 3.31Å; R437-C439 PolarHBondContact NE-O 3.47Å; R437-C439 VanDerWaalsContact NE-O 3.08Å; R437-C439 PolarHBondContact NE-SG 3.39Å; R437-C439 PolarHBondContact NH2-SG 3.24Å; R437-Q440 PolarHBondContact NH2-O 3.36Å
438	Q	82.1	Confident	91.9	Very high	207 Å²	207	65.2 Å²	65.2	97%	0.967	32%	0.317	S	S	*	.	S	Bend	trans	-103.2	-18.8	178.7	-64.6	-167.9	-5.5	0	0	114
439	C	89.4	Confident	92	Very high	60 Å²	60	67.1 Å²	67.1	41%	0.405	33%	0.327	S	S	.	.	S	Bend	trans	-105	158	179.5	58.1	0	0	0	0	112.2	R437	R437-C439 VanDerWaalsContact CD-O 3.24Å; R437-C439 WeakPolarHBondContact CD-O 3.28Å; R437-C439 WeakPolarHBondContact CG-O 3.31Å; R437-C439 PolarHBondContact NE-O 3.47Å; R437-C439 VanDerWaalsContact NE-O 3.08Å; R437-C439 PolarHBondContact NE-SG 3.39Å; R437-C439 PolarHBondContact NH2-SG 3.24Å
440	Q	92.3	Very high	92	Very high	100 Å²	100	66 Å²	66	47%	0.467	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-71	153.4	175	-69.4	177.5	-18	0	0	111.6	R437 F466	R437-Q440 PolarHBondContact NH2-O 3.36Å; Q440-F466 PolarHBondContact OE1-O 3.42Å
441	P	95.7	Very high	92.2	Very high	3 Å²	3	60.6 Å²	60.6	2%	0.019	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-49.1	125.4	172.3	-26.8	35.5	0	0	0	112.3	F312 N315 N467	F312-P441 HydrophobicContact CD1-CB 3.66Å; F312-P441 HydrophobicContact CD1-CG 3.47Å; F312-P441 VanDerWaalsContact CD1-CG 3.47Å; F312-P441 HydrophobicContact CE1-CB 3.66Å; F312-P441 HydrophobicContact CE1-CG 3.85Å; F312-P441 HydrophobicContact CG-CB 4.23Å; F312-P441 HydrophobicContact CG-CG 4.2Å; F312-P441 HydrophobicContact CZ-CB 4.25Å; N315-P441 HydrophobicContact CB-CG 3.78Å; P441-N467 HydrophobicContact CB-CB 4.02Å; P441-N467 HydrophobicContact CG-CB 4.47Å; P441-N467 PolarHBondContact O-ND2 2.87Å
442	P	96.3	Very high	92.4	Very high	18 Å²	18	64.9 Å²	64.9	12%	0.117	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-68.2	142.2	-171.9	30.3	-29.4	0	0	0	109.6	H311 T379	H311-P442 PolarHBondContact CE1-O 2.67Å; H311-P442 PolarHBondContact NE2-O 3.16Å; T379-P442 WeakPolarHBondContact OG1-CG 3.31Å
443	V	97.6	Very high	92.7	Very high	20 Å²	20	63.1 Å²	63.1	12%	0.121	34%	0.336	C	S	.	.	S	Bend	trans	-70.8	-42.4	174.5	174.4	0	0	0	0	110	L457 V460 I475 I476 F477	V443-L457 HydrophobicContact CG1-CD2 4.11Å; V443-V460 HydrophobicContact CG1-CG1 4.05Å; V443-V460 HydrophobicContact CG1-CG2 4.26Å; V443-V460 HydrophobicContact CG2-CG1 4.03Å; V443-I475 HydrophobicContact CG1-CB 4.36Å; V443-I475 HydrophobicContact CG1-CG2 3.88Å; V443-I476 CarbonylContact O-C 3.25Å; V443-I476 WeakPolarHBondContact O-CA 3.5Å; V443-F477 PolarHBondContact O-N 2.89Å
444	C	97.8	Very high	93.1	Very high	12 Å²	12	57.2 Å²	57.2	8%	0.081	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-100.3	137.4	180	-164.4	0	0	0	0	112.3	H446 L457 F477	C444-H446 VanDerWaalsContact C-N 3.34Å; C444-H446 PolarHBondContact SG-O 2.82Å; C444-H446 VanDerWaalsContact SG-O 3.33Å; C444-L457 HydrophobicContact CB-CD2 4.15Å; C444-F477 WeakPolarHBondContact CA-O 3.49Å; C444-F477 HydrophobicContact CB-CD1 4.46Å
445	T	97.5	Very high	93.6	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	31%	0.313	C	S	.	.	S	Bend	trans	-80.6	-13.3	176.1	57.5	0	0	0	0	113.8	F307 N376 T379 I476 F477 H478	F307-T445 HydrophobicContact CZ-CG2 4.1Å; N376-T445 WeakPolarHBondContact CB-O 3.25Å; N376-T445 PolarHBondContact N-O 3.16Å; T379-T445 HydrophobicContact CG2-CG2 4.19Å; T445-I476 HydrophobicContact CG2-CG2 3.79Å; T445-F477 PolarHBondContact N-O 3.46Å; T445-F477 PolarHBondContact OG1-O 3.18Å; T445-H478 WeakPolarHBondContact OG1-CA 3.25Å; T445-H478 PolarHBondContact OG1-ND1 3.34Å
446	H	97.1	Very high	94.1	Very high	7 Å²	7	56.6 Å²	56.6	3%	0.032	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	165.4	-175.9	-65.5	78.8	0	0	0	112.1	T372 F375 C444 H478 P479 E480	T372-H446 HydrophobicContact CG2-CB 3.76Å; F375-H446 AromaticContact CD1-CD2 3.6Å; F375-H446 AromaticContact CD1-CE1 3.8Å; F375-H446 AromaticContact CD1-NE2 3.21Å; F375-H446 WeakPolarHBondContact CD1-NE2 3.4Å; F375-H446 AromaticContact CE1-CD2 3.91Å; F375-H446 AromaticContact CE1-CE1 3.74Å; F375-H446 AromaticContact CE1-NE2 3.1Å; F375-H446 WeakPolarHBondContact CE1-NE2 3.43Å; C444-H446 VanDerWaalsContact C-N 3.34Å; C444-H446 PolarHBondContact SG-O 2.82Å; C444-H446 VanDerWaalsContact SG-O 3.33Å; H446-H478 AromaticContact CE1-CE1 3.84Å; H446-P479 HydrophobicContact CB-CG 3.65Å; H446-P479 WeakPolarHBondContact ND1-CD 3.48Å; H446-E480 IonicContact CE1-OE2 3Å; H446-E480 IonicContact NE2-OE2 3.84Å; H446-E480 PolarHBondContact NE2-OE2 3.3Å
447	N	96.8	Very high	94.7	Very high	71 Å²	71	50.7 Å²	50.7	38%	0.38	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	114.3	165.8	-46.1	-61.2	0	0	0	108.5	T372 N373 N374 F375	T372-N447 CarbonylContact C-O 3.5Å; T372-N447 WeakPolarHBondContact CA-O 3.17Å; N373-N447 PolarHBondContact N-O 3.12Å; N373-N447 WeakPolarHBondContact O-CB 3.35Å; N373-N447 PolarHBondContact O-ND2 2.73Å; N374-N447 PolarHBondContact O-N 3.5Å; N374-N447 VanDerWaalsContact O-N 3.15Å; F375-N447 PolarHBondContact O-ND2 3.12Å; F375-N447 VanDerWaalsContact O-ND2 3.13Å
448	M	96.7	Very high	95.3	Very high	22 Å²	22	51.8 Å²	51.8	11%	0.108	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	139.4	177.4	-60.1	-63.1	-69.6	0	0	110.1	A370 T372 E450 D451 D454 L457 F477 P479	A370-M448 HydrophobicContact CB-CE 3.45Å; A370-M448 VanDerWaalsContact CB-CE 3.45Å; A370-M448 HydrophobicContact CB-SD 4.35Å; T372-M448 HydrophobicContact CG2-SD 3.85Å; M448-E450 VanDerWaalsContact C-N 3.29Å; M448-D451 HydrophobicContact CB-CB 3.96Å; M448-D454 HydrophobicContact CE-CB 4.46Å; M448-D454 WeakPolarHBondContact CE-OD2 3.2Å; M448-L457 HydrophobicContact CB-CD1 4.5Å; M448-L457 HydrophobicContact CG-CD1 3.69Å; M448-F477 HydrophobicContact CE-CE1 3.82Å; M448-F477 HydrophobicContact CE-CZ 4.2Å; M448-F477 HydrophobicContact SD-CE1 3.95Å; M448-P479 HydrophobicContact CE-CB 4.36Å; M448-P479 HydrophobicContact SD-CB 3.77Å; M448-P479 HydrophobicContact SD-CG 3.61Å
449	L	94.8	Very high	96	Very high	95 Å²	95	42.5 Å²	42.5	50%	0.497	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-36.3	174	-84.6	161.4	0	0	0	111.7	R371	R371-L449 HydrophobicContact CB-CB 4.36Å; R371-L449 HydrophobicContact CB-CD1 3.79Å; R371-L449 PolarHBondContact O-N 3.02Å
450	E	93.6	Very high	96.5	Very high	106 Å²	106	39.8 Å²	39.8	50%	0.495	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125	53.4	-175.3	-71.6	173.6	-150.9	0	0	110.6	R371 M448 S452 S453 D454	R371-E450 IonicContact NH1-OE1 2.89Å; R371-E450 PolarHBondContact NH1-OE1 3.28Å; R371-E450 VanDerWaalsContact NH1-OE1 3.11Å; M448-E450 VanDerWaalsContact C-N 3.29Å; E450-S452 VanDerWaalsContact C-N 3.31Å; E450-S452 PolarHBondContact O-N 3.42Å; E450-S453 PolarHBondContact O-N 3.04Å; E450-S453 PolarHBondContact O-OG 3.23Å; E450-D454 PolarHBondContact O-N 2.85Å
451	D	95.2	Very high	96.7	Very high	69 Å²	69	39.6 Å²	39.6	37%	0.369	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-37.9	-173.7	179.1	-85.2	0	0	0	114.8	M448 L457 R461	M448-D451 HydrophobicContact CB-CB 3.96Å; D451-L457 VanDerWaalsContact OD2-CD1 3.24Å; D451-L457 WeakPolarHBondContact OD2-CD1 3.34Å; D451-R461 VanDerWaalsContact CG-NH2 3.32Å; D451-R461 PolarHBondContact O-NH1 3.49Å; D451-R461 IonicContact OD1-CZ 2.65Å; D451-R461 IonicContact OD1-NH1 2.72Å; D451-R461 IonicContact OD1-NH2 3.96Å; D451-R461 PolarHBondContact OD1-NH2 3.09Å; D451-R461 IonicContact OD2-NH2 3.49Å; D451-R461 PolarHBondContact OD2-NH2 3.21Å
452	S	94.7	Very high	96.8	Very high	95 Å²	95	47 Å²	47	66%	0.664	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80	-19.9	-176	57.9	0	0	0	0	113.9	E450 N458	E450-S452 VanDerWaalsContact C-N 3.31Å; E450-S452 PolarHBondContact O-N 3.42Å; S452-N458 PolarHBondContact O-ND2 3.47Å; S452-N458 PolarHBondContact O-OD1 3.27Å; S452-N458 VanDerWaalsContact O-OD1 3.12Å
453	S	95.8	Very high	96.9	Very high	67 Å²	67	47.8 Å²	47.8	47%	0.469	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.8	-7.8	174.9	47	0	0	0	0	112.8	E450 P455	E450-S453 PolarHBondContact O-N 3.04Å; E450-S453 PolarHBondContact O-OG 3.23Å; S453-P455 WeakPolarHBondContact O-CD 3.3Å
454	D	97.5	Very high	96.8	Very high	10 Å²	10	48.4 Å²	48.4	5%	0.053	26%	0.26	C	S	.	.			trans	-58.8	120.5	178.8	-178.1	-91.8	0	0	0	111.7	Y332 M448 E450 I456 L457 N458	Y332-D454 WeakPolarHBondContact CE1-OD2 3.49Å; Y332-D454 PolarHBondContact OH-OD1 3.2Å; Y332-D454 VanDerWaalsContact OH-OD1 3.09Å; Y332-D454 PolarHBondContact OH-OD2 3.38Å; M448-D454 HydrophobicContact CE-CB 4.46Å; M448-D454 WeakPolarHBondContact CE-OD2 3.2Å; E450-D454 PolarHBondContact O-N 2.85Å; D454-I456 PolarHBondContact O-N 2.79Å; D454-I456 PolarHBondContact OD1-N 3.07Å; D454-I456 VanDerWaalsContact OD1-N 3.16Å; D454-L457 HydrophobicContact CB-CB 4.15Å; D454-L457 HydrophobicContact CB-CD1 4.2Å; D454-L457 HydrophobicContact CB-CG 4.31Å; D454-L457 PolarHBondContact O-N 3.03Å; D454-L457 WeakPolarHBondContact OD1-CB 3.21Å; D454-L457 WeakPolarHBondContact OD1-CG 3.39Å; D454-L457 PolarHBondContact OD1-N 3.45Å; D454-N458 VanDerWaalsContact O-CB 3.26Å; D454-N458 WeakPolarHBondContact O-CB 3.4Å; D454-N458 VanDerWaalsContact O-CG 3.31Å; D454-N458 PolarHBondContact O-N 3.3Å; D454-N458 PolarHBondContact O-ND2 3.28Å
455	P	96.6	Very high	96.8	Very high	55 Å²	55	48 Å²	48	36%	0.357	26%	0.257	S	S	.	.	H	α-helix	trans	-62.3	-39.6	-175.2	-26.6	35.3	0	0	0	114.3	F334 S453 C459	F334-P455 HydrophobicContact CB-CB 4Å; F334-P455 HydrophobicContact CB-CG 4.43Å; F334-P455 HydrophobicContact CD1-CB 3.64Å; F334-P455 HydrophobicContact CD2-CB 3.73Å; F334-P455 HydrophobicContact CE1-CB 3.95Å; F334-P455 HydrophobicContact CE2-CB 4.06Å; F334-P455 HydrophobicContact CG-CB 3.51Å; F334-P455 HydrophobicContact CG-CG 4.44Å; F334-P455 HydrophobicContact CZ-CB 4.15Å; S453-P455 WeakPolarHBondContact O-CD 3.3Å; P455-C459 VanDerWaalsContact O-CB 3.26Å; P455-C459 WeakPolarHBondContact O-CB 3.31Å; P455-C459 PolarHBondContact O-N 3.09Å
456	I	97.8	Very high	96.7	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-66	-52.2	179.5	-71.3	175.9	0	0	0	109.5	Y332 F334 L343 F366 M368 D454 N458 C459 V460 F477	Y332-I456 HydrophobicContact CE2-CD1 3.7Å; Y332-I456 HydrophobicContact CE2-CG1 3.97Å; Y332-I456 WeakPolarHBondContact OH-CG1 3.23Å; F334-I456 HydrophobicContact CD2-CG1 3.81Å; F334-I456 HydrophobicContact CE2-CG1 3.92Å; L343-I456 HydrophobicContact CD1-CG2 4.33Å; F366-I456 HydrophobicContact CB-CD1 4.45Å; F366-I456 HydrophobicContact CD1-CD1 4.06Å; M368-I456 HydrophobicContact SD-CD1 3.94Å; D454-I456 PolarHBondContact O-N 2.79Å; D454-I456 PolarHBondContact OD1-N 3.07Å; D454-I456 VanDerWaalsContact OD1-N 3.16Å; I456-N458 PolarHBondContact O-N 3.06Å; I456-C459 PolarHBondContact O-N 3.46Å; I456-V460 WeakPolarHBondContact O-CG2 3.44Å; I456-V460 PolarHBondContact O-N 3.03Å; I456-F477 HydrophobicContact CB-CD1 4.46Å; I456-F477 HydrophobicContact CB-CE1 4.32Å; I456-F477 HydrophobicContact CD1-CD2 4.16Å; I456-F477 HydrophobicContact CD1-CE2 3.75Å; I456-F477 HydrophobicContact CD1-CZ 3.94Å; I456-F477 HydrophobicContact CG2-CB 4.4Å; I456-F477 HydrophobicContact CG2-CD1 4.03Å; I456-F477 HydrophobicContact CG2-CD2 4.4Å; I456-F477 HydrophobicContact CG2-CE1 4.37Å; I456-F477 HydrophobicContact CG2-CG 4.04Å
457	L	98.1	Very high	96.8	Very high	9 Å²	9	52.1 Å²	52.1	5%	0.047	28%	0.275	C	S	.	.	H	α-helix	trans	-64.6	-39	-178.5	-66	-179.9	0	0	0	112.3	V443 C444 M448 D451 D454 V460 R461 F477	V443-L457 HydrophobicContact CG1-CD2 4.11Å; C444-L457 HydrophobicContact CB-CD2 4.15Å; M448-L457 HydrophobicContact CB-CD1 4.5Å; M448-L457 HydrophobicContact CG-CD1 3.69Å; D451-L457 VanDerWaalsContact OD2-CD1 3.24Å; D451-L457 WeakPolarHBondContact OD2-CD1 3.34Å; D454-L457 HydrophobicContact CB-CB 4.15Å; D454-L457 HydrophobicContact CB-CD1 4.2Å; D454-L457 HydrophobicContact CB-CG 4.31Å; D454-L457 PolarHBondContact O-N 3.03Å; D454-L457 WeakPolarHBondContact OD1-CB 3.21Å; D454-L457 WeakPolarHBondContact OD1-CG 3.39Å; D454-L457 PolarHBondContact OD1-N 3.45Å; L457-V460 PolarHBondContact O-N 2.74Å; L457-R461 VanDerWaalsContact O-CG 3.29Å; L457-R461 WeakPolarHBondContact O-CG 3.48Å; L457-R461 PolarHBondContact O-N 3.49Å; L457-F477 HydrophobicContact CD2-CD1 4Å; L457-F477 HydrophobicContact CG-CD1 4.1Å; L457-F477 HydrophobicContact CG-CE1 4.4Å
458	N	97.9	Very high	96.7	Very high	62 Å²	62	50 Å²	50	33%	0.332	27%	0.266	S	S	.	.	H	α-helix	trans	-64.1	-41.2	174.1	-78.7	-21.7	0	0	0	112.5	S452 D454 I456 R461 R462	S452-N458 PolarHBondContact O-ND2 3.47Å; S452-N458 PolarHBondContact O-OD1 3.27Å; S452-N458 VanDerWaalsContact O-OD1 3.12Å; D454-N458 VanDerWaalsContact O-CB 3.26Å; D454-N458 WeakPolarHBondContact O-CB 3.4Å; D454-N458 VanDerWaalsContact O-CG 3.31Å; D454-N458 PolarHBondContact O-N 3.3Å; D454-N458 PolarHBondContact O-ND2 3.28Å; I456-N458 PolarHBondContact O-N 3.06Å; N458-R461 PolarHBondContact O-N 3.06Å; N458-R461 PolarHBondContact OD1-NH1 3.03Å; N458-R462 WeakPolarHBondContact O-CB 3.43Å; N458-R462 PolarHBondContact O-N 2.83Å
459	C	97.8	Very high	96.5	Very high	12 Å²	12	52.5 Å²	52.5	8%	0.081	29%	0.285	C	S	.	.	H	α-helix	trans	-64.9	-42.7	175.2	-172.1	0	0	0	0	111.2	F334 L343 P455 I456 R461 R462 I463	F334-C459 HydrophobicContact CZ-CB 3.98Å; L343-C459 HydrophobicContact CD1-CB 3.7Å; P455-C459 VanDerWaalsContact O-CB 3.26Å; P455-C459 WeakPolarHBondContact O-CB 3.31Å; P455-C459 PolarHBondContact O-N 3.09Å; I456-C459 PolarHBondContact O-N 3.46Å; C459-R461 VanDerWaalsContact C-N 3.33Å; C459-R461 PolarHBondContact O-N 3.12Å; C459-R462 WeakPolarHBondContact O-CB 3.37Å; C459-R462 PolarHBondContact O-N 3.5Å; C459-R462 VanDerWaalsContact O-N 3.13Å; C459-R462 PolarHBondContact SG-NH2 2.93Å; C459-I463 WeakPolarHBondContact O-CG1 3.46Å; C459-I463 PolarHBondContact O-N 3.01Å
460	V	98.1	Very high	96.5	Very high	3 Å²	3	50.3 Å²	50.3	2%	0.018	28%	0.281	C	S	.	.	H	α-helix	trans	-58.8	-43.2	174.7	173.5	0	0	0	0	111.7	L343 V443 I456 L457 I463 G464 L465 I475	L343-V460 HydrophobicContact CD2-CG2 3.8Å; V443-V460 HydrophobicContact CG1-CG1 4.05Å; V443-V460 HydrophobicContact CG1-CG2 4.26Å; V443-V460 HydrophobicContact CG2-CG1 4.03Å; I456-V460 WeakPolarHBondContact O-CG2 3.44Å; I456-V460 PolarHBondContact O-N 3.03Å; L457-V460 PolarHBondContact O-N 2.74Å; V460-I463 WeakPolarHBondContact O-CG1 3.44Å; V460-I463 PolarHBondContact O-N 3.22Å; V460-G464 PolarHBondContact O-N 3.49Å; V460-L465 VanDerWaalsContact CG1-O 3.24Å; V460-L465 WeakPolarHBondContact CG1-O 3.44Å; V460-L465 PolarHBondContact O-N 3.14Å; V460-I475 HydrophobicContact CG1-CD1 4.46Å; V460-I475 HydrophobicContact CG2-CD1 3.87Å; V460-I475 HydrophobicContact CG2-CG2 4.26Å
461	R	97.8	Very high	96.7	Very high	95 Å²	95	45.7 Å²	45.7	36%	0.358	26%	0.26	S	S	.	.	H	α-helix	trans	-61.3	-43.2	174.4	-70.8	169	-169.2	124.9	9.3	112.2	D451 L457 N458 C459 G464 F466	D451-R461 VanDerWaalsContact CG-NH2 3.32Å; D451-R461 PolarHBondContact O-NH1 3.49Å; D451-R461 IonicContact OD1-CZ 2.65Å; D451-R461 IonicContact OD1-NH1 2.72Å; D451-R461 IonicContact OD1-NH2 3.96Å; D451-R461 PolarHBondContact OD1-NH2 3.09Å; D451-R461 IonicContact OD2-NH2 3.49Å; D451-R461 PolarHBondContact OD2-NH2 3.21Å; L457-R461 VanDerWaalsContact O-CG 3.29Å; L457-R461 WeakPolarHBondContact O-CG 3.48Å; L457-R461 PolarHBondContact O-N 3.49Å; N458-R461 PolarHBondContact O-N 3.06Å; N458-R461 PolarHBondContact OD1-NH1 3.03Å; C459-R461 VanDerWaalsContact C-N 3.33Å; C459-R461 PolarHBondContact O-N 3.12Å; R461-G464 PolarHBondContact O-N 3.37Å; R461-F466 HydrophobicContact CB-CE1 4.43Å; R461-F466 HydrophobicContact CG-CE1 4.14Å
462	R	97.8	Very high	96.8	Very high	160 Å²	160	46 Å²	46	60%	0.604	26%	0.256	S	S	*	.	H	α-helix	trans	-62.2	-44.5	178.7	-178.7	-172	66.4	87.7	1.3	112	E344 N458 C459	E344-R462 IonicContact OE2-CZ 3.75Å; E344-R462 IonicContact OE2-NH1 3.47Å; E344-R462 PolarHBondContact OE2-NH1 3.47Å; E344-R462 IonicContact OE2-NH2 3.05Å; E344-R462 PolarHBondContact OE2-NH2 3.45Å; N458-R462 WeakPolarHBondContact O-CB 3.43Å; N458-R462 PolarHBondContact O-N 2.83Å; C459-R462 WeakPolarHBondContact O-CB 3.37Å; C459-R462 PolarHBondContact O-N 3.5Å; C459-R462 VanDerWaalsContact O-N 3.13Å; C459-R462 PolarHBondContact SG-NH2 2.93Å
463	I	97.2	Very high	97	Very high	34 Å²	34	41.4 Å²	41.4	17%	0.174	22%	0.224	C	C	.	.	H	α-helix	trans	-84.9	-11.3	-177.3	69.8	-170.6	0	0	0	113.6	L343 A347 C459 V460 L465	L343-I463 HydrophobicContact CB-CD1 4.11Å; L343-I463 HydrophobicContact CD2-CD1 4.31Å; A347-I463 HydrophobicContact CB-CB 4Å; A347-I463 HydrophobicContact CB-CD1 4.29Å; A347-I463 HydrophobicContact CB-CG1 4.47Å; A347-I463 HydrophobicContact CB-CG2 4.38Å; C459-I463 WeakPolarHBondContact O-CG1 3.46Å; C459-I463 PolarHBondContact O-N 3.01Å; V460-I463 WeakPolarHBondContact O-CG1 3.44Å; V460-I463 PolarHBondContact O-N 3.22Å; I463-L465 HydrophobicContact CD1-CB 4.43Å; I463-L465 HydrophobicContact CD1-CD1 3.82Å; I463-L465 HydrophobicContact CD1-CG 4.22Å; I463-L465 HydrophobicContact CG1-CB 4.22Å; I463-L465 HydrophobicContact CG1-CD1 4.24Å; I463-L465 HydrophobicContact CG1-CG 4.09Å
464	G	96.9	Very high	97.1	Very high	33 Å²	33	38.4 Å²	38.4	34%	0.34	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.4	21.3	173	0	0	0	0	0	115.8	V460 R461 F466	V460-G464 PolarHBondContact O-N 3.49Å; R461-G464 PolarHBondContact O-N 3.37Å; G464-F466 WeakPolarHBondContact O-CD2 3.43Å; G464-F466 PolarHBondContact O-N 3.1Å
465	L	96.9	Very high	97.2	Very high	3 Å²	3	38 Å²	38	2%	0.016	20%	0.2	C	C	.	.			trans	-88.8	78.3	179.4	-72.9	179.7	0	0	0	111.8	L346 A347 N350 V460 I463 I475	L346-L465 HydrophobicContact CB-CD1 4.38Å; A347-L465 HydrophobicContact CB-CD1 4.31Å; N350-L465 HydrophobicContact CB-CD2 3.94Å; N350-L465 VanDerWaalsContact ND2-CD2 3.31Å; N350-L465 WeakPolarHBondContact ND2-CD2 3.45Å; V460-L465 VanDerWaalsContact CG1-O 3.24Å; V460-L465 WeakPolarHBondContact CG1-O 3.44Å; V460-L465 PolarHBondContact O-N 3.14Å; I463-L465 HydrophobicContact CD1-CB 4.43Å; I463-L465 HydrophobicContact CD1-CD1 3.82Å; I463-L465 HydrophobicContact CD1-CG 4.22Å; I463-L465 HydrophobicContact CG1-CB 4.22Å; I463-L465 HydrophobicContact CG1-CD1 4.24Å; I463-L465 HydrophobicContact CG1-CG 4.09Å; L465-I475 HydrophobicContact CB-CD1 3.7Å; L465-I475 HydrophobicContact CB-CG1 4.41Å; L465-I475 HydrophobicContact CD1-CD1 3.65Å; L465-I475 HydrophobicContact CD1-CG1 4.37Å; L465-I475 HydrophobicContact CG-CD1 4.35Å
466	F	96.6	Very high	97.3	Very high	91 Å²	91	35.4 Å²	35.4	40%	0.399	18%	0.183	S	C	.	.			trans	-95.2	20.5	-175.2	-57.2	-64.7	0	0	0	114.7	Q440 R461 G464 S468	Q440-F466 PolarHBondContact OE1-O 3.42Å; R461-F466 HydrophobicContact CB-CE1 4.43Å; R461-F466 HydrophobicContact CG-CE1 4.14Å; G464-F466 WeakPolarHBondContact O-CD2 3.43Å; G464-F466 PolarHBondContact O-N 3.1Å; F466-S468 VanDerWaalsContact C-N 3.28Å; F466-S468 PolarHBondContact O-N 2.95Å
467	N	97.4	Very high	97.3	Very high	3 Å²	3	35.4 Å²	35.4	2%	0.016	18%	0.183	C	C	.	.			trans	58.8	35.2	-175	-61.9	-33.8	0	0	0	113.7	F312 P441 K474 I475	F312-N467 HydrophobicContact CE1-CB 4.12Å; P441-N467 HydrophobicContact CB-CB 4.02Å; P441-N467 HydrophobicContact CG-CB 4.47Å; P441-N467 PolarHBondContact O-ND2 2.87Å; N467-K474 WeakPolarHBondContact OD1-CA 3.2Å; N467-K474 WeakPolarHBondContact OD1-CB 3.36Å; N467-I475 PolarHBondContact ND2-O 3.48Å; N467-I475 PolarHBondContact OD1-N 3.4Å; N467-I475 PolarHBondContact OD1-O 2.97Å
468	S	95.6	Very high	97.3	Very high	27 Å²	27	35.1 Å²	35.1	19%	0.189	18%	0.182	C	C	.	.			trans	-66.7	161.2	176.1	76.1	0	0	0	0	111.1	F466 A470 D471 K474	F466-S468 VanDerWaalsContact C-N 3.28Å; F466-S468 PolarHBondContact O-N 2.95Å; S468-A470 PolarHBondContact O-N 2.84Å; S468-D471 WeakPolarHBondContact CB-OD2 3.25Å; S468-D471 PolarHBondContact N-OD2 2.86Å; S468-D471 PolarHBondContact O-N 2.95Å; S468-D471 VanDerWaalsContact O-N 3.13Å; S468-D471 PolarHBondContact OG-N 3.42Å; S468-D471 PolarHBondContact OG-OD2 3.33Å; S468-K474 PolarHBondContact O-NZ 3.22Å
469	S	93.3	Very high	97.3	Very high	73 Å²	73	32.2 Å²	32.2	51%	0.51	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-34.7	174.8	45.6	0	0	0	0	112.9	D317 D471	D317-S469 VanDerWaalsContact OD2-CA 3.26Å; D317-S469 WeakPolarHBondContact OD2-CA 3.29Å; D317-S469 WeakPolarHBondContact OD2-CB 3.43Å; S469-D471 VanDerWaalsContact C-N 3.28Å; S469-D471 PolarHBondContact O-N 3.39Å
470	A	94.1	Very high	97.1	Very high	50 Å²	50	35.6 Å²	35.6	41%	0.413	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-21	179.7	0	0	0	0	0	113.7	R354 S468	R354-A470 WeakPolarHBondContact CD-O 3.3Å; S468-A470 PolarHBondContact O-N 2.84Å
471	D	97.3	Very high	96.8	Very high	9 Å²	9	42.8 Å²	42.8	5%	0.048	21%	0.212	C	C	.	.			trans	-75.7	127.2	-179.3	-63.9	-44.7	0	0	0	111.1	N350 S468 S469 V473 K474	N350-D471 PolarHBondContact ND2-OD1 3.36Å; N350-D471 WeakPolarHBondContact OD1-CA 3.36Å; S468-D471 WeakPolarHBondContact CB-OD2 3.25Å; S468-D471 PolarHBondContact N-OD2 2.86Å; S468-D471 PolarHBondContact O-N 2.95Å; S468-D471 VanDerWaalsContact O-N 3.13Å; S468-D471 PolarHBondContact OG-N 3.42Å; S468-D471 PolarHBondContact OG-OD2 3.33Å; S469-D471 VanDerWaalsContact C-N 3.28Å; S469-D471 PolarHBondContact O-N 3.39Å; D471-V473 WeakPolarHBondContact CB-O 3.33Å; D471-K474 HydrophobicContact CB-CD 4.46Å; D471-K474 VanDerWaalsContact O-CE 3.29Å; D471-K474 WeakPolarHBondContact O-CE 3.35Å; D471-K474 PolarHBondContact O-NZ 3.29Å
472	R	98	Very high	96.7	Very high	74 Å²	74	39.2 Å²	39.2	28%	0.279	20%	0.2	S	C	.	.	S	Bend	trans	-83.9	-17.6	170.4	-69.2	-57.9	-164.7	-140.9	3.5	112.6	N350 L353 R354 S358 T361 V362	N350-R472 PolarHBondContact OD1-N 3.34Å; L353-R472 HydrophobicContact CB-CB 3.7Å; L353-R472 HydrophobicContact CB-CG 4.07Å; L353-R472 HydrophobicContact CD1-CB 4.03Å; R354-R472 HydrophobicContact CG-CB 4.5Å; R354-R472 HydrophobicContact CG-CG 3.93Å; S358-R472 PolarHBondContact O-NE 3Å; S358-R472 PolarHBondContact O-NH2 3.22Å; T361-R472 CarbonylContact C-O 3.57Å; T361-R472 WeakPolarHBondContact CA-O 3.39Å; V362-R472 PolarHBondContact N-O 2.8Å
473	V	98.6	Very high	96.4	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	125.1	172.6	-179.3	0	0	0	0	109	L346 L349 N350 L353 V362 D471	L346-V473 HydrophobicContact CB-CG1 4.13Å; L346-V473 HydrophobicContact CD2-CG1 3.81Å; L346-V473 HydrophobicContact CG-CG1 4.42Å; L349-V473 HydrophobicContact CB-CG2 4.34Å; L349-V473 HydrophobicContact CD2-CG2 4.05Å; L349-V473 HydrophobicContact CG-CG2 4.04Å; N350-V473 HydrophobicContact CB-CB 3.97Å; N350-V473 HydrophobicContact CB-CG2 3.81Å; N350-V473 PolarHBondContact OD1-N 3.19Å; N350-V473 VanDerWaalsContact OD1-N 3.11Å; L353-V473 HydrophobicContact CD1-CG2 4.09Å; V362-V473 HydrophobicContact CB-CG1 4.44Å; V362-V473 HydrophobicContact CB-CG2 4.12Å; V362-V473 HydrophobicContact CG1-CG1 4.16Å; V362-V473 HydrophobicContact CG1-CG2 4.48Å; V362-V473 CarbonylContact O-C 3.53Å; V362-V473 WeakPolarHBondContact O-CA 3.48Å; D471-V473 WeakPolarHBondContact CB-O 3.33Å
474	K	98.6	Very high	96.1	Very high	4 Å²	4	34.6 Å²	34.6	2%	0.017	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	147	174.8	-44.6	-57.9	-167	-173.2	0	109.8	F312 T361 V362 I363 A364 N467 S468 D471	F312-K474 HydrophobicContact CE1-CB 4.06Å; F312-K474 HydrophobicContact CE1-CD 4.08Å; F312-K474 HydrophobicContact CE1-CG 3.88Å; F312-K474 HydrophobicContact CZ-CB 3.72Å; F312-K474 HydrophobicContact CZ-CG 3.98Å; T361-K474 HydrophobicContact CG2-CG 4.16Å; V362-K474 PolarHBondContact O-N 3.42Å; I363-K474 WeakPolarHBondContact CA-O 3.45Å; I363-K474 HydrophobicContact CG1-CB 4.14Å; I363-K474 HydrophobicContact CG1-CG 4.23Å; I363-K474 HydrophobicContact CG2-CB 4.43Å; A364-K474 PolarHBondContact N-O 2.95Å; N467-K474 WeakPolarHBondContact OD1-CA 3.2Å; N467-K474 WeakPolarHBondContact OD1-CB 3.36Å; S468-K474 PolarHBondContact O-NZ 3.22Å; D471-K474 HydrophobicContact CB-CD 4.46Å; D471-K474 VanDerWaalsContact O-CE 3.29Å; D471-K474 WeakPolarHBondContact O-CE 3.35Å; D471-K474 PolarHBondContact O-NZ 3.29Å
475	I	98.6	Very high	95.9	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	133.5	180	-60.3	-179.6	0	0	0	109.7	L343 F366 V443 V460 L465 N467	L343-I475 HydrophobicContact CD2-CD1 3.75Å; F366-I475 HydrophobicContact CD2-CG2 3.98Å; F366-I475 HydrophobicContact CE2-CG2 3.95Å; V443-I475 HydrophobicContact CG1-CB 4.36Å; V443-I475 HydrophobicContact CG1-CG2 3.88Å; V460-I475 HydrophobicContact CG1-CD1 4.46Å; V460-I475 HydrophobicContact CG2-CD1 3.87Å; V460-I475 HydrophobicContact CG2-CG2 4.26Å; L465-I475 HydrophobicContact CB-CD1 3.7Å; L465-I475 HydrophobicContact CB-CG1 4.41Å; L465-I475 HydrophobicContact CD1-CD1 3.65Å; L465-I475 HydrophobicContact CD1-CG1 4.37Å; L465-I475 HydrophobicContact CG-CD1 4.35Å; N467-I475 PolarHBondContact ND2-O 3.48Å; N467-I475 PolarHBondContact OD1-N 3.4Å; N467-I475 PolarHBondContact OD1-O 2.97Å
476	I	98.6	Very high	95.7	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	109	171.3	-53.9	-179.5	0	0	0	108.5	F307 F312 I363 A364 F365 F366 V443 T445	F307-I476 HydrophobicContact CE1-CD1 3.74Å; F307-I476 HydrophobicContact CE1-CG2 4.24Å; F307-I476 HydrophobicContact CZ-CG2 4.27Å; F312-I476 HydrophobicContact CE2-CD1 3.88Å; F312-I476 HydrophobicContact CE2-CG1 4.39Å; I363-I476 HydrophobicContact CG2-CD1 3.64Å; I363-I476 HydrophobicContact CG2-CG1 3.98Å; A364-I476 PolarHBondContact O-N 3.39Å; F365-I476 CarbonylContact C-O 3.5Å; F365-I476 WeakPolarHBondContact CA-O 3.34Å; F365-I476 HydrophobicContact CD1-CB 4.01Å; F365-I476 HydrophobicContact CD1-CD1 4.38Å; F365-I476 HydrophobicContact CD1-CG2 4.15Å; F365-I476 HydrophobicContact CE1-CB 4.22Å; F365-I476 HydrophobicContact CE1-CD1 3.74Å; F365-I476 HydrophobicContact CE1-CG2 4.24Å; F365-I476 HydrophobicContact CZ-CD1 3.89Å; F366-I476 PolarHBondContact N-O 3.38Å; V443-I476 CarbonylContact O-C 3.25Å; V443-I476 WeakPolarHBondContact O-CA 3.5Å; T445-I476 HydrophobicContact CG2-CG2 3.79Å
477	F	98.6	Very high	95.4	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	116.9	170.4	-178	-152	0	0	0	109.9	Y332 F366 M368 A370 V443 C444 T445 M448 I456 L457 P479	Y332-F477 AromaticContact CE1-CZ 3.75Å; Y332-F477 HydrophobicContact CE1-CZ 3.75Å; Y332-F477 AromaticContact CZ-CZ 3.96Å; F366-F477 HydrophobicContact CB-CD2 3.77Å; F366-F477 WeakPolarHBondContact O-CD2 3.25Å; M368-F477 HydrophobicContact CB-CE2 4.26Å; A370-F477 HydrophobicContact CB-CZ 4.45Å; V443-F477 PolarHBondContact O-N 2.89Å; C444-F477 WeakPolarHBondContact CA-O 3.49Å; C444-F477 HydrophobicContact CB-CD1 4.46Å; T445-F477 PolarHBondContact N-O 3.46Å; T445-F477 PolarHBondContact OG1-O 3.18Å; M448-F477 HydrophobicContact CE-CE1 3.82Å; M448-F477 HydrophobicContact CE-CZ 4.2Å; M448-F477 HydrophobicContact SD-CE1 3.95Å; I456-F477 HydrophobicContact CB-CD1 4.46Å; I456-F477 HydrophobicContact CB-CE1 4.32Å; I456-F477 HydrophobicContact CD1-CD2 4.16Å; I456-F477 HydrophobicContact CD1-CE2 3.75Å; I456-F477 HydrophobicContact CD1-CZ 3.94Å; I456-F477 HydrophobicContact CG2-CB 4.4Å; I456-F477 HydrophobicContact CG2-CD1 4.03Å; I456-F477 HydrophobicContact CG2-CD2 4.4Å; I456-F477 HydrophobicContact CG2-CE1 4.37Å; I456-F477 HydrophobicContact CG2-CG 4.04Å; L457-F477 HydrophobicContact CD2-CD1 4Å; L457-F477 HydrophobicContact CG-CD1 4.1Å; L457-F477 HydrophobicContact CG-CE1 4.4Å; F477-P479 HydrophobicContact CD2-CB 4.5Å; F477-P479 HydrophobicContact CE1-CB 4.13Å; F477-P479 HydrophobicContact CE2-CB 3.86Å; F477-P479 HydrophobicContact CZ-CB 3.66Å; F477-P479 HydrophobicContact CZ-CG 4.47Å; F477-P479 VanDerWaalsContact O-CD 3.3Å; F477-P479 WeakPolarHBondContact O-CD 3.47Å
478	H	97.9	Very high	95.1	Very high	3 Å²	3	38.8 Å²	38.8	1%	0.014	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	89.4	176.3	-170.5	95.3	0	0	0	109.5	F366 I367 M368 T445 H446 E480	F366-H478 CarbonylContact O-C 3.5Å; F366-H478 PolarHBondContact O-N 3.42Å; I367-H478 HydrophobicContact CD1-CB 3.69Å; M368-H478 PolarHBondContact N-O 3.24Å; T445-H478 WeakPolarHBondContact OG1-CA 3.25Å; T445-H478 PolarHBondContact OG1-ND1 3.34Å; H446-H478 AromaticContact CE1-CE1 3.84Å; H478-E480 PolarHBondContact CD2-O 2.9Å; H478-E480 VanDerWaalsContact CD2-O 3.27Å; H478-E480 PolarHBondContact O-N 3.09Å
479	P	96.9	Very high	94.9	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.006	22%	0.216	C	C	.	.			trans	-77.6	35.6	-174.1	31.7	-40.7	0	0	0	115.3	M368 P369 A370 T372 H446 M448 F477	M368-P479 VanDerWaalsContact O-CA 3.27Å; M368-P479 WeakPolarHBondContact O-CA 3.34Å; P369-P479 WeakPolarHBondContact CA-O 3.28Å; A370-P479 HydrophobicContact CB-CB 3.65Å; A370-P479 PolarHBondContact N-O 3.11Å; T372-P479 HydrophobicContact CG2-CB 3.82Å; T372-P479 HydrophobicContact CG2-CG 3.56Å; H446-P479 HydrophobicContact CB-CG 3.65Å; H446-P479 WeakPolarHBondContact ND1-CD 3.48Å; M448-P479 HydrophobicContact CE-CB 4.36Å; M448-P479 HydrophobicContact SD-CB 3.77Å; M448-P479 HydrophobicContact SD-CG 3.61Å; F477-P479 HydrophobicContact CD2-CB 4.5Å; F477-P479 HydrophobicContact CE1-CB 4.13Å; F477-P479 HydrophobicContact CE2-CB 3.86Å; F477-P479 HydrophobicContact CZ-CB 3.66Å; F477-P479 HydrophobicContact CZ-CG 4.47Å; F477-P479 VanDerWaalsContact O-CD 3.3Å; F477-P479 WeakPolarHBondContact O-CD 3.47Å
480	E	94.6	Very high	94.9	Very high	83 Å²	83	37.2 Å²	37.2	39%	0.388	21%	0.211	S	C	.	.	S	Bend	trans	-140.4	160.7	178.7	-163.7	177.3	-170.8	0	0	109.8	H446 H478	H446-E480 IonicContact CE1-OE2 3Å; H446-E480 IonicContact NE2-OE2 3.84Å; H446-E480 PolarHBondContact NE2-OE2 3.3Å; H478-E480 PolarHBondContact CD2-O 2.9Å; H478-E480 VanDerWaalsContact CD2-O 3.27Å; H478-E480 PolarHBondContact O-N 3.09Å
481	F	92.3	Very high	94.9	Very high	155 Å²	155	34.9 Å²	34.9	68%	0.68	19%	0.192	S	C	*	.			trans	-67.9	141.6	167.3	-71.2	-69.9	0	0	0	110.3	P369	P369-F481 HydrophobicContact CB-CD2 4.31Å; P369-F481 HydrophobicContact CB-CE2 4.08Å; P369-F481 HydrophobicContact CB-CZ 4.34Å; P369-F481 HydrophobicContact CG-CD1 3.75Å; P369-F481 HydrophobicContact CG-CD2 3.81Å; P369-F481 HydrophobicContact CG-CE1 3.56Å; P369-F481 HydrophobicContact CG-CE2 3.63Å; P369-F481 HydrophobicContact CG-CG 3.88Å; P369-F481 HydrophobicContact CG-CZ 3.52Å
482	L	93.8	Very high	94.7	Very high	20 Å²	20	37.9 Å²	37.9	11%	0.105	21%	0.208	C	C	.	.			trans	-68.6	139.7	174.3	-64.5	173.8	0	0	0	110.4	I367 L489 Y493 F496	I367-L482 HydrophobicContact CD1-CD1 4.44Å; I367-L482 HydrophobicContact CD1-CD2 4.28Å; I367-L482 HydrophobicContact CG1-CD1 4.37Å; I367-L482 HydrophobicContact CG2-CD1 4.29Å; I367-L482 HydrophobicContact CG2-CG 4.02Å; L482-L489 HydrophobicContact CD2-CD2 3.83Å; L482-Y493 HydrophobicContact CD1-CD2 4.46Å; L482-F496 HydrophobicContact CD1-CB 3.46Å; L482-F496 VanDerWaalsContact CD1-CB 3.46Å; L482-F496 HydrophobicContact CD1-CD1 3.51Å; L482-F496 HydrophobicContact CD1-CD2 4.09Å; L482-F496 HydrophobicContact CD1-CE1 4.27Å; L482-F496 HydrophobicContact CD1-CG 3.4Å; L482-F496 VanDerWaalsContact CD1-CG 3.4Å
483	S	92.3	Very high	94.5	Very high	39 Å²	39	37 Å²	37	27%	0.273	21%	0.205	S	C	.	.	B	Isolated β-bridge	trans	-147.5	136.2	179.7	175.9	0	0	0	0	109.9	T485 S486 M491	S483-T485 PolarHBondContact O-N 3.42Å; S483-T485 VanDerWaalsContact O-N 3.09Å; S483-T485 PolarHBondContact OG-N 3.42Å; S483-T485 PolarHBondContact OG-OG1 3.47Å; S483-S486 VanDerWaalsContact O-CB 3.24Å; S483-S486 WeakPolarHBondContact O-CB 3.49Å; S483-S486 PolarHBondContact O-N 3.11Å; S483-M491 CarbonylContact C-O 3.54Å; S483-M491 PolarHBondContact N-O 3.31Å; S483-M491 PolarHBondContact O-N 3.42Å
484	S	91.5	Very high	94.2	Very high	58 Å²	58	42 Å²	42	41%	0.406	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-22.6	169.8	47.8	0	0	0	0	113.8	P490 M491 D492	S484-P490 WeakPolarHBondContact O-CB 3.4Å; S484-M491 PolarHBondContact N-O 3.1Å; S484-D492 VanDerWaalsContact CB-OD1 3.25Å; S484-D492 WeakPolarHBondContact CB-OD1 3.39Å; S484-D492 PolarHBondContact N-OD1 3.1Å; S484-D492 PolarHBondContact OG-OD1 2.9Å
485	T	92.5	Very high	94	Very high	121 Å²	121	44.5 Å²	44.5	74%	0.742	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-5.7	176.7	63.1	0	0	0	0	114.3	S483	S483-T485 PolarHBondContact O-N 3.42Å; S483-T485 VanDerWaalsContact O-N 3.09Å; S483-T485 PolarHBondContact OG-N 3.42Å; S483-T485 PolarHBondContact OG-OG1 3.47Å
486	S	91.9	Very high	94	Very high	13 Å²	13	44.5 Å²	44.5	9%	0.091	24%	0.24	C	C	.	.			trans	-64.4	131.8	-178.9	-178.1	0	0	0	0	111.5	S483 L488 P490	S483-S486 VanDerWaalsContact O-CB 3.24Å; S483-S486 WeakPolarHBondContact O-CB 3.49Å; S483-S486 PolarHBondContact O-N 3.11Å; S486-L488 PolarHBondContact O-N 3.33Å; S486-L488 PolarHBondContact OG-N 3.27Å; S486-P490 WeakPolarHBondContact O-CA 3.25Å; S486-P490 VanDerWaalsContact O-CB 3.29Å; S486-P490 WeakPolarHBondContact O-CB 3.5Å
487	P	90.5	Very high	93.9	Very high	80 Å²	80	44.5 Å²	44.5	52%	0.519	24%	0.24	S	C	.	.	S	Bend	trans	-71.7	-14.9	177.6	30.4	-36	0	0	0	113.3	F375 L380	F375-P487 HydrophobicContact CD2-CG 3.91Å; F375-P487 HydrophobicContact CE2-CG 3.36Å; F375-P487 HydrophobicContact CZ-CG 3.89Å; L380-P487 HydrophobicContact CD2-CB 4.39Å; L380-P487 HydrophobicContact CD2-CG 4.24Å
488	L	90.8	Very high	93.8	Very high	3 Å²	3	46.6 Å²	46.6	2%	0.016	25%	0.248	C	C	.	.	S	Bend	trans	-91	-59.5	-178.7	-65.6	-171.4	0	0	0	111.8	F307 F375 T379 L380 Q383 S486	F307-L488 WeakPolarHBondContact CD2-O 3.28Å; F307-L488 HydrophobicContact CE2-CB 4.35Å; F375-L488 HydrophobicContact CB-CD1 4.22Å; F375-L488 HydrophobicContact CD1-CD1 3.28Å; F375-L488 HydrophobicContact CD1-CG 3.82Å; F375-L488 HydrophobicContact CE1-CD1 3.84Å; F375-L488 HydrophobicContact CE1-CG 4.1Å; F375-L488 HydrophobicContact CG-CD1 3.9Å; F375-L488 HydrophobicContact CG-CG 4.16Å; T379-L488 HydrophobicContact CG2-CD1 3.71Å; T379-L488 HydrophobicContact CG2-CD2 3.79Å; T379-L488 HydrophobicContact CG2-CG 4.33Å; L380-L488 HydrophobicContact CD2-CD2 3.57Å; L380-L488 HydrophobicContact CD2-CG 4.4Å; L380-L488 HydrophobicContact CG-CD2 3.99Å; Q383-L488 HydrophobicContact CG-CD2 4.11Å; S486-L488 PolarHBondContact O-N 3.33Å; S486-L488 PolarHBondContact OG-N 3.27Å
489	L	92.4	Very high	93.7	Very high	3 Å²	3	46.4 Å²	46.4	2%	0.016	25%	0.247	C	C	.	.	S	Bend	trans	-129.3	80.7	-176.1	-176.5	60.9	0	0	0	106.9	F307 L482 M491 F496	F307-L489 HydrophobicContact CB-CD1 3.62Å; F307-L489 HydrophobicContact CD1-CD1 4.4Å; F307-L489 HydrophobicContact CD2-CB 4.2Å; F307-L489 HydrophobicContact CD2-CD1 4.44Å; F307-L489 HydrophobicContact CG-CB 4.46Å; F307-L489 HydrophobicContact CG-CD1 3.9Å; L482-L489 HydrophobicContact CD2-CD2 3.83Å; L489-M491 HydrophobicContact CD1-CE 4.09Å; L489-M491 HydrophobicContact CD1-CG 4.2Å; L489-M491 HydrophobicContact CD1-SD 3.59Å; L489-M491 VanDerWaalsContact CD1-SD 3.59Å; L489-M491 HydrophobicContact CD2-CG 4.45Å; L489-M491 HydrophobicContact CD2-SD 4.08Å; L489-M491 HydrophobicContact CG-CG 3.85Å; L489-M491 HydrophobicContact CG-SD 3.76Å; L489-M491 PolarHBondContact O-N 3.47Å; L489-F496 HydrophobicContact CD2-CD2 3.96Å; L489-F496 HydrophobicContact CD2-CE2 4.16Å
490	P	92.8	Very high	93.8	Very high	65 Å²	65	46.4 Å²	46.4	42%	0.422	25%	0.247	S	C	.	.	B	Isolated β-bridge	trans	-75.1	77.2	-173.6	29.9	-34.5	0	0	0	109.1	R303 S484 S486	R303-P490 PolarHBondContact NH2-O 2.64Å; S484-P490 WeakPolarHBondContact O-CB 3.4Å; S486-P490 WeakPolarHBondContact O-CA 3.25Å; S486-P490 VanDerWaalsContact O-CB 3.29Å; S486-P490 WeakPolarHBondContact O-CB 3.5Å
491	M	94.7	Very high	94	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	23%	0.229	C	C	.	.			trans	-153	148.7	175.6	69	-171.3	17	0	0	110.4	R303 I304 S483 S484 L489 E495 F496	R303-M491 HydrophobicContact CB-CE 3.42Å; R303-M491 VanDerWaalsContact CB-CE 3.42Å; I304-M491 HydrophobicContact CG1-CE 3.88Å; I304-M491 HydrophobicContact CG1-SD 3.93Å; S483-M491 CarbonylContact C-O 3.54Å; S483-M491 PolarHBondContact N-O 3.31Å; S483-M491 PolarHBondContact O-N 3.42Å; S484-M491 PolarHBondContact N-O 3.1Å; L489-M491 HydrophobicContact CD1-CE 4.09Å; L489-M491 HydrophobicContact CD1-CG 4.2Å; L489-M491 HydrophobicContact CD1-SD 3.59Å; L489-M491 VanDerWaalsContact CD1-SD 3.59Å; L489-M491 HydrophobicContact CD2-CG 4.45Å; L489-M491 HydrophobicContact CD2-SD 4.08Å; L489-M491 HydrophobicContact CG-CG 3.85Å; L489-M491 HydrophobicContact CG-SD 3.76Å; L489-M491 PolarHBondContact O-N 3.47Å; M491-E495 VanDerWaalsContact CA-OE2 3.31Å; M491-E495 WeakPolarHBondContact CA-OE2 3.38Å; M491-E495 HydrophobicContact CB-CB 4.11Å; M491-E495 WeakPolarHBondContact CB-OE2 3.48Å; M491-F496 HydrophobicContact CG-CB 4.05Å; M491-F496 HydrophobicContact SD-CB 3.59Å; M491-F496 VanDerWaalsContact SD-CB 3.59Å; M491-F496 HydrophobicContact SD-CD2 3.73Å; M491-F496 HydrophobicContact SD-CG 4.16Å
492	D	93.8	Very high	94.3	Very high	71 Å²	71	35.2 Å²	35.2	38%	0.38	20%	0.197	S	C	.	.			trans	-78.6	162.6	173.8	-62.3	-36.4	0	0	0	110.4	S484 E494 E495 F496	S484-D492 VanDerWaalsContact CB-OD1 3.25Å; S484-D492 WeakPolarHBondContact CB-OD1 3.39Å; S484-D492 PolarHBondContact N-OD1 3.1Å; S484-D492 PolarHBondContact OG-OD1 2.9Å; D492-E494 VanDerWaalsContact C-N 3.33Å; D492-E494 PolarHBondContact O-N 2.98Å; D492-E495 PolarHBondContact N-OE2 3.32Å; D492-E495 VanDerWaalsContact N-OE2 3.17Å; D492-E495 WeakPolarHBondContact O-CB 3.42Å; D492-E495 PolarHBondContact O-N 3.48Å; D492-E495 VanDerWaalsContact O-N 3.1Å; D492-F496 PolarHBondContact O-N 2.92Å
493	Y	93.2	Very high	94.5	Very high	56 Å²	56	34.3 Å²	34.3	22%	0.22	19%	0.192	C	C	.	.	H	α-helix	trans	-55.2	-43.9	-175.7	166.8	-98.6	0	0	0	113.1	A329 L482 E495 F496 V497 T515 E518	A329-Y493 HydrophobicContact CB-CE2 3.9Å; L482-Y493 HydrophobicContact CD1-CD2 4.46Å; Y493-E495 VanDerWaalsContact C-N 3.33Å; Y493-E495 PolarHBondContact O-N 3.43Å; Y493-F496 WeakPolarHBondContact O-CB 3.25Å; Y493-F496 PolarHBondContact O-N 3.32Å; Y493-V497 HydrophobicContact CD1-CG2 4.39Å; Y493-V497 HydrophobicContact CD2-CG2 4.14Å; Y493-V497 HydrophobicContact CE1-CG2 3.97Å; Y493-V497 HydrophobicContact CE2-CG2 3.69Å; Y493-V497 HydrophobicContact CG-CG2 4.48Å; Y493-V497 WeakPolarHBondContact O-CG2 3.31Å; Y493-V497 PolarHBondContact O-N 2.86Å; Y493-T515 VanDerWaalsContact OH-CG2 3.28Å; Y493-T515 WeakPolarHBondContact OH-CG2 3.48Å; Y493-E518 WeakPolarHBondContact CE1-OE2 3.38Å; Y493-E518 PolarHBondContact OH-OE2 3.48Å
494	E	92	Very high	94.8	Very high	106 Å²	106	32.4 Å²	32.4	50%	0.495	18%	0.179	S	C	.	.	H	α-helix	trans	-65.2	-36.8	179	-55.9	-174.8	-171.6	0	0	112.9	D492 F496 V497 R498 M522	D492-E494 VanDerWaalsContact C-N 3.33Å; D492-E494 PolarHBondContact O-N 2.98Å; E494-F496 VanDerWaalsContact C-N 3.31Å; E494-V497 PolarHBondContact O-N 3.09Å; E494-R498 VanDerWaalsContact CB-NH1 3.29Å; E494-R498 WeakPolarHBondContact O-CG 3.31Å; E494-R498 PolarHBondContact O-N 2.84Å; E494-R498 IonicContact OE2-CZ 3.7Å; E494-R498 IonicContact OE2-NH1 2.72Å; E494-R498 PolarHBondContact OE2-NH1 3.35Å; E494-R498 IonicContact OE2-NH2 3.87Å; E494-M522 HydrophobicContact CB-CE 4.16Å; E494-M522 HydrophobicContact CB-SD 4.06Å; E494-M522 HydrophobicContact CG-CE 4.16Å
495	E	94.8	Very high	95.2	Very high	56 Å²	56	29.9 Å²	29.9	26%	0.262	16%	0.16	S	C	.	.	H	α-helix	trans	-64.4	-41.7	176.8	-60.8	-173.2	122.6	0	0	110.3	S300 R303 M491 D492 Y493 R498 G499	S300-E495 WeakPolarHBondContact CB-O 3.35Å; S300-E495 PolarHBondContact OG-O 2.89Å; R303-E495 IonicContact CZ-OE1 2.66Å; R303-E495 IonicContact CZ-OE2 3.45Å; R303-E495 VanDerWaalsContact CZ-OE2 3.32Å; R303-E495 IonicContact NH1-OE1 3.79Å; R303-E495 PolarHBondContact NH1-OE1 2.87Å; R303-E495 IonicContact NH1-OE2 3.11Å; R303-E495 PolarHBondContact NH1-OE2 2.92Å; R303-E495 IonicContact NH2-OE1 3.53Å; R303-E495 IonicContact NH2-OE2 2.6Å; R303-E495 PolarHBondContact NH2-OE2 3Å; M491-E495 VanDerWaalsContact CA-OE2 3.31Å; M491-E495 WeakPolarHBondContact CA-OE2 3.38Å; M491-E495 HydrophobicContact CB-CB 4.11Å; M491-E495 WeakPolarHBondContact CB-OE2 3.48Å; D492-E495 PolarHBondContact N-OE2 3.32Å; D492-E495 VanDerWaalsContact N-OE2 3.17Å; D492-E495 WeakPolarHBondContact O-CB 3.42Å; D492-E495 PolarHBondContact O-N 3.48Å; D492-E495 VanDerWaalsContact O-N 3.1Å; Y493-E495 VanDerWaalsContact C-N 3.33Å; Y493-E495 PolarHBondContact O-N 3.43Å; E495-R498 PolarHBondContact O-N 3.22Å; E495-G499 PolarHBondContact O-N 2.86Å; E495-G499 VanDerWaalsContact O-N 3.12Å
496	F	97.9	Very high	95.4	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-61.7	-50.2	175.8	174.5	-100.5	0	0	0	112	I304 F327 F365 I367 L482 L489 M491 D492 Y493 E494 R498 G499 C500	I304-F496 HydrophobicContact CD1-CD2 3.81Å; I304-F496 HydrophobicContact CD1-CE2 4.06Å; I304-F496 HydrophobicContact CG1-CD2 4.17Å; F327-F496 HydrophobicContact CB-CE1 3.76Å; F327-F496 HydrophobicContact CB-CZ 3.99Å; F327-F496 HydrophobicContact CD1-CE1 4.47Å; F327-F496 AromaticContact CD2-CE1 3.89Å; F327-F496 HydrophobicContact CD2-CE1 3.89Å; F327-F496 AromaticContact CG-CE1 3.79Å; F327-F496 HydrophobicContact CG-CE1 3.79Å; F327-F496 HydrophobicContact CG-CZ 4.46Å; F365-F496 HydrophobicContact CB-CZ 3.69Å; F365-F496 AromaticContact CD1-CE2 4Å; F365-F496 HydrophobicContact CD1-CE2 4Å; F365-F496 HydrophobicContact CD1-CZ 4.02Å; F365-F496 HydrophobicContact CD2-CE2 4.3Å; F365-F496 HydrophobicContact CD2-CZ 4.05Å; F365-F496 HydrophobicContact CE1-CE2 4.22Å; F365-F496 HydrophobicContact CG-CE2 4.03Å; F365-F496 AromaticContact CG-CZ 3.67Å; F365-F496 HydrophobicContact CG-CZ 3.67Å; F365-F496 HydrophobicContact CZ-CE2 4.5Å; I367-F496 HydrophobicContact CD1-CE1 4.31Å; I367-F496 HydrophobicContact CD1-CZ 4.16Å; I367-F496 HydrophobicContact CG1-CE1 3.88Å; I367-F496 HydrophobicContact CG1-CZ 4.2Å; L482-F496 HydrophobicContact CD1-CB 3.46Å; L482-F496 VanDerWaalsContact CD1-CB 3.46Å; L482-F496 HydrophobicContact CD1-CD1 3.51Å; L482-F496 HydrophobicContact CD1-CD2 4.09Å; L482-F496 HydrophobicContact CD1-CE1 4.27Å; L482-F496 HydrophobicContact CD1-CG 3.4Å; L482-F496 VanDerWaalsContact CD1-CG 3.4Å; L489-F496 HydrophobicContact CD2-CD2 3.96Å; L489-F496 HydrophobicContact CD2-CE2 4.16Å; M491-F496 HydrophobicContact CG-CB 4.05Å; M491-F496 HydrophobicContact SD-CB 3.59Å; M491-F496 VanDerWaalsContact SD-CB 3.59Å; M491-F496 HydrophobicContact SD-CD2 3.73Å; M491-F496 HydrophobicContact SD-CG 4.16Å; D492-F496 PolarHBondContact O-N 2.92Å; Y493-F496 WeakPolarHBondContact O-CB 3.25Å; Y493-F496 PolarHBondContact O-N 3.32Å; E494-F496 VanDerWaalsContact C-N 3.31Å; F496-R498 VanDerWaalsContact C-N 3.32Å; F496-R498 PolarHBondContact O-N 2.92Å; F496-G499 WeakPolarHBondContact O-CA 3.48Å; F496-G499 PolarHBondContact O-N 2.79Å; F496-C500 VanDerWaalsContact CZ-SG 3.59Å; F496-C500 PolarHBondContact O-N 3.14Å; F496-C500 VanDerWaalsContact O-N 3.11Å; F496-C500 PolarHBondContact O-SG 2.91Å
497	V	96.9	Very high	95.7	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-55.2	-48.9	178	172.7	0	0	0	0	110.3	F327 Y493 E494 G499 C500 M522 I524	F327-V497 HydrophobicContact CE1-CG1 4.33Å; F327-V497 HydrophobicContact CE2-CG2 3.88Å; F327-V497 HydrophobicContact CZ-CB 4.17Å; F327-V497 HydrophobicContact CZ-CG1 3.89Å; F327-V497 HydrophobicContact CZ-CG2 3.64Å; Y493-V497 HydrophobicContact CD1-CG2 4.39Å; Y493-V497 HydrophobicContact CD2-CG2 4.14Å; Y493-V497 HydrophobicContact CE1-CG2 3.97Å; Y493-V497 HydrophobicContact CE2-CG2 3.69Å; Y493-V497 HydrophobicContact CG-CG2 4.48Å; Y493-V497 WeakPolarHBondContact O-CG2 3.31Å; Y493-V497 PolarHBondContact O-N 2.86Å; E494-V497 PolarHBondContact O-N 3.09Å; V497-G499 PolarHBondContact O-N 3.24Å; V497-C500 WeakPolarHBondContact O-CB 3.26Å; V497-C500 PolarHBondContact O-N 3.2Å; V497-M522 HydrophobicContact CB-CE 4.19Å; V497-M522 HydrophobicContact CB-SD 3.86Å; V497-M522 HydrophobicContact CG1-CE 4.05Å; V497-M522 HydrophobicContact CG1-SD 3.74Å; V497-I524 HydrophobicContact CG1-CG1 4.24Å
498	R	95.6	Very high	96	Very high	44 Å²	44	21.4 Å²	21.4	17%	0.166	10%	0.103	C	C	.	.	H	α-helix	trans	-56.6	-36	176.4	-73.8	178.9	178.8	101.6	2.5	112.8	H297 E494 E495 F496 C500 M522	H297-R498 WeakPolarHBondContact CA-O 3.34Å; H297-R498 PolarHBondContact ND1-O 2.78Å; E494-R498 VanDerWaalsContact CB-NH1 3.29Å; E494-R498 WeakPolarHBondContact O-CG 3.31Å; E494-R498 PolarHBondContact O-N 2.84Å; E494-R498 IonicContact OE2-CZ 3.7Å; E494-R498 IonicContact OE2-NH1 2.72Å; E494-R498 PolarHBondContact OE2-NH1 3.35Å; E494-R498 IonicContact OE2-NH2 3.87Å; E495-R498 PolarHBondContact O-N 3.22Å; F496-R498 VanDerWaalsContact C-N 3.32Å; F496-R498 PolarHBondContact O-N 2.92Å; R498-C500 VanDerWaalsContact C-N 3.34Å; R498-M522 HydrophobicContact CG-CB 4.09Å; R498-M522 HydrophobicContact CG-CG 4.19Å; R498-M522 HydrophobicContact CG-SD 3.81Å
499	G	97	Very high	96.2	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-76.6	-18.4	179.1	0	0	0	0	0	114.5	S300 E495 F496 V497	S300-G499 VanDerWaalsContact CB-CA 3.44Å; E495-G499 PolarHBondContact O-N 2.86Å; E495-G499 VanDerWaalsContact O-N 3.12Å; F496-G499 WeakPolarHBondContact O-CA 3.48Å; F496-G499 PolarHBondContact O-N 2.79Å; V497-G499 PolarHBondContact O-N 3.24Å
500	C	98.6	Very high	96.3	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.104	C	C	.	.			trans	-75.4	169.2	176.4	-71.3	0	0	0	0	112.3	H297 F325 F327 F496 V497 R498	H297-C500 PolarHBondContact CE1-O 2.57Å; H297-C500 VanDerWaalsContact CE1-O 3.28Å; H297-C500 PolarHBondContact ND1-O 2.96Å; F325-C500 HydrophobicContact CB-CB 4.4Å; F327-C500 HydrophobicContact CD1-CB 3.55Å; F327-C500 HydrophobicContact CE1-CB 3.83Å; F496-C500 VanDerWaalsContact CZ-SG 3.59Å; F496-C500 PolarHBondContact O-N 3.14Å; F496-C500 VanDerWaalsContact O-N 3.11Å; F496-C500 PolarHBondContact O-SG 2.91Å; V497-C500 WeakPolarHBondContact O-CB 3.26Å; V497-C500 PolarHBondContact O-N 3.2Å; R498-C500 VanDerWaalsContact C-N 3.34Å
501	H	98.6	Very high	96.4	Very high	3 Å²	3	19.6 Å²	19.6	1%	0.014	9%	0.091	C	C	.	.	S	Bend	trans	-107.3	-30.7	179.1	-60.7	76.4	0	0	0	112.4	K301 L324 F325 F574	K301-H501 PolarHBondContact NZ-NE2 3.35Å; L324-H501 HydrophobicContact CD2-CB 4.42Å; F325-H501 AromaticContact CD2-CE1 3.74Å; F325-H501 AromaticContact CD2-ND1 3.84Å; F325-H501 AromaticContact CG-ND1 3.95Å; F325-H501 PolarHBondContact N-ND1 3.43Å; F325-H501 PolarHBondContact O-N 3.32Å; H501-F574 HydrophobicContact CB-CE1 4.03Å; H501-F574 HydrophobicContact CB-CZ 4.12Å; H501-F574 WeakPolarHBondContact O-CZ 3.46Å
502	L	98.8	Very high	96.4	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.005	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	126.4	-177.4	-177.7	69.7	0	0	0	110.3	F325 L326 F327 V504 P525 I527 Y551 L571 F574	F325-L502 PolarHBondContact O-N 3.3Å; L326-L502 VanDerWaalsContact CA-O 3.31Å; L326-L502 WeakPolarHBondContact CA-O 3.49Å; L326-L502 HydrophobicContact CG-CB 4.31Å; L326-L502 HydrophobicContact CG-CD2 4.43Å; F327-L502 PolarHBondContact N-O 3.02Å; F327-L502 VanDerWaalsContact N-O 3.16Å; L502-V504 HydrophobicContact CD2-CG2 3.99Å; L502-V504 HydrophobicContact CG-CG2 3.99Å; L502-P525 WeakPolarHBondContact CA-O 3.35Å; L502-P525 HydrophobicContact CD1-CB 3.84Å; L502-I527 HydrophobicContact CD1-CG1 4.14Å; L502-I527 HydrophobicContact CD2-CD1 4.06Å; L502-I527 HydrophobicContact CD2-CG1 4.25Å; L502-I527 HydrophobicContact CG-CG1 4.38Å; L502-Y551 HydrophobicContact CD1-CD2 4.34Å; L502-Y551 HydrophobicContact CD1-CE2 4.18Å; L502-L571 HydrophobicContact CD2-CD2 3.75Å; L502-F574 HydrophobicContact CB-CD1 4.39Å; L502-F574 HydrophobicContact CB-CE1 3.95Å; L502-F574 HydrophobicContact CB-CZ 4.03Å; L502-F574 HydrophobicContact CD1-CD2 4.45Å; L502-F574 HydrophobicContact CD1-CE2 4.36Å; L502-F574 HydrophobicContact CD2-CB 4.47Å; L502-F574 HydrophobicContact CD2-CD1 4.08Å; L502-F574 HydrophobicContact CD2-CD2 4.5Å; L502-F574 HydrophobicContact CD2-CE1 4.47Å; L502-F574 HydrophobicContact CD2-CG 4.1Å
503	G	98.7	Very high	96.4	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	136.8	165.8	0	0	0	0	0	110.7	P525 S526 I527	G503-P525 PolarHBondContact N-O 3.4Å; G503-S526 CarbonylContact O-C 3.55Å; G503-S526 VanDerWaalsContact O-CA 3.25Å; G503-S526 WeakPolarHBondContact O-CA 3.3Å; G503-I527 PolarHBondContact O-N 2.89Å
504	V	98.8	Very high	96.4	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	103	-176.9	-173.6	0	0	0	0	109.4	L326 F327 I328 F342 L502 P506 I527 L567 L571	L326-V504 HydrophobicContact CD2-CG2 4.49Å; F327-V504 PolarHBondContact O-N 2.86Å; I328-V504 WeakPolarHBondContact CB-O 3.08Å; I328-V504 VanDerWaalsContact CG1-O 3.29Å; I328-V504 WeakPolarHBondContact CG1-O 3.39Å; F342-V504 HydrophobicContact CD2-CB 4.14Å; F342-V504 HydrophobicContact CD2-CG1 3.48Å; F342-V504 VanDerWaalsContact CD2-CG1 3.48Å; F342-V504 HydrophobicContact CE1-CB 4.31Å; F342-V504 HydrophobicContact CE2-CB 3.75Å; F342-V504 HydrophobicContact CE2-CG1 3.53Å; F342-V504 HydrophobicContact CE2-CG2 3.92Å; F342-V504 HydrophobicContact CG-CG1 4.05Å; F342-V504 HydrophobicContact CZ-CB 3.85Å; F342-V504 HydrophobicContact CZ-CG1 4.13Å; F342-V504 HydrophobicContact CZ-CG2 4.04Å; L502-V504 HydrophobicContact CD2-CG2 3.99Å; L502-V504 HydrophobicContact CG-CG2 3.99Å; V504-P506 VanDerWaalsContact C-CD 3.46Å; V504-P506 WeakPolarHBondContact O-CD 3.47Å; V504-I527 HydrophobicContact CG1-CB 4.37Å; V504-I527 HydrophobicContact CG1-CD1 4.34Å; V504-I527 HydrophobicContact CG2-CD1 4.31Å; V504-I527 HydrophobicContact CG2-CG1 4.42Å; V504-L567 HydrophobicContact CG1-CD1 4.01Å; V504-L567 HydrophobicContact CG1-CD2 4.49Å; V504-L571 HydrophobicContact CG2-CD2 3.98Å
505	F	98.5	Very high	96.4	Very high	4 Å²	4	11.9 Å²	11.9	2%	0.018	5%	0.054	C	C	.	.			trans	-124.8	70.3	-174	-41.7	-70.6	0	0	0	110.2	F327 I328 S507 T515 P516 I527 S528	F327-F505 HydrophobicContact CD2-CE1 4.4Å; F327-F505 HydrophobicContact CD2-CZ 4.46Å; F327-F505 AromaticContact CE2-CE1 4Å; F327-F505 HydrophobicContact CE2-CE1 4Å; F327-F505 AromaticContact CE2-CZ 3.75Å; F327-F505 HydrophobicContact CE2-CZ 3.75Å; F327-F505 HydrophobicContact CZ-CE1 4.48Å; F327-F505 AromaticContact CZ-CZ 3.79Å; F327-F505 HydrophobicContact CZ-CZ 3.79Å; I328-F505 HydrophobicContact CG1-CD1 4.24Å; F505-S507 PolarHBondContact O-N 2.82Å; F505-T515 HydrophobicContact CD1-CG2 3.78Å; F505-T515 HydrophobicContact CE1-CG2 3.17Å; F505-T515 HydrophobicContact CE2-CG2 4.21Å; F505-T515 HydrophobicContact CZ-CG2 3.41Å; F505-T515 VanDerWaalsContact CZ-CG2 3.41Å; F505-P516 HydrophobicContact CD2-CB 3.69Å; F505-P516 HydrophobicContact CD2-CG 4.12Å; F505-P516 HydrophobicContact CE2-CB 4.03Å; F505-I527 CarbonylContact C-O 3.56Å; F505-I527 WeakPolarHBondContact CA-O 3.27Å; F505-I527 PolarHBondContact N-O 2.72Å; F505-S528 WeakPolarHBondContact O-CA 3.34Å
506	P	98	Very high	96.5	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	4%	0.042	C	C	.	.			trans	-78.7	50.7	-176.6	35.5	-35.6	0	0	0	110.7	G338 I341 F342 V504 T529 L553 R555 L567	G338-P506 WeakPolarHBondContact CA-O 3.04Å; G338-P506 VanDerWaalsContact O-CG 3.29Å; G338-P506 WeakPolarHBondContact O-CG 3.44Å; I341-P506 HydrophobicContact CG2-CB 4.34Å; F342-P506 HydrophobicContact CB-CG 4.04Å; V504-P506 VanDerWaalsContact C-CD 3.46Å; V504-P506 WeakPolarHBondContact O-CD 3.47Å; P506-T529 VanDerWaalsContact CA-CG2 3.42Å; P506-T529 HydrophobicContact CB-CG2 4.37Å; P506-L553 HydrophobicContact CB-CD2 3.81Å; P506-R555 WeakPolarHBondContact O-CD 3.36Å; P506-R555 PolarHBondContact O-NH1 3.08Å; P506-L567 HydrophobicContact CB-CD2 4.07Å; P506-L567 HydrophobicContact CG-CD2 4.16Å
507	S	97.2	Very high	96.3	Very high	1 Å²	1	9.2 Å²	9.2	1%	0.007	4%	0.042	C	C	.	.			trans	-59.2	138.7	-173.2	-57.5	0	0	0	0	113	N336 F505 E510 T529	N336-S507 CarbonylContact O-C 3.58Å; N336-S507 VanDerWaalsContact O-CA 3.3Å; N336-S507 WeakPolarHBondContact O-CA 3.46Å; F505-S507 PolarHBondContact O-N 2.82Å; S507-E510 WeakPolarHBondContact CB-OE2 3.34Å; S507-E510 VanDerWaalsContact OG-CD 3.24Å; S507-E510 PolarHBondContact OG-OE2 3.11Å; S507-T529 WeakPolarHBondContact O-CB 3.2Å; S507-T529 WeakPolarHBondContact O-CG2 3.45Å; S507-T529 PolarHBondContact O-OG1 3.02Å
508	Y	95.9	Very high	96.1	Very high	35 Å²	35	11.5 Å²	11.5	14%	0.137	5%	0.053	C	C	.	.	S	Bend	trans	-86.8	-46.8	168.1	-177.3	-116.3	0	0	0	111.2	C214 V218 F220 Y221 N336 L531	C214-Y508 HydrophobicContact CB-CD1 4.28Å; C214-Y508 HydrophobicContact CB-CE1 4.26Å; V218-Y508 PolarHBondContact O-OH 2.81Å; F220-Y508 HydrophobicContact CB-CE1 4.25Å; F220-Y508 PolarHBondContact N-OH 2.91Å; Y221-Y508 HydrophobicContact CD2-CE2 4.2Å; Y221-Y508 VanDerWaalsContact CE2-O 3.27Å; Y221-Y508 WeakPolarHBondContact CE2-O 3.43Å; N336-Y508 PolarHBondContact O-N 2.93Å; Y508-L531 HydrophobicContact CD2-CD1 3.72Å; Y508-L531 HydrophobicContact CE2-CD1 4Å; Y508-L531 WeakPolarHBondContact O-CB 3.41Å
509	Y	95.3	Very high	96	Very high	4 Å²	4	9.4 Å²	9.4	2%	0.016	5%	0.045	C	C	.	.	S	Bend	trans	-123.5	104.8	178.2	-175.2	-91.1	0	0	0	109.8	T207 R211 C214 F220 Y221 E265 N336 P511	T207-Y509 PolarHBondContact O-OH 3.18Å; R211-Y509 HydrophobicContact CB-CE1 4.33Å; R211-Y509 HydrophobicContact CG-CD1 4.4Å; R211-Y509 HydrophobicContact CG-CE1 3.45Å; R211-Y509 VanDerWaalsContact CG-CE1 3.45Å; R211-Y509 PolarHBondContact N-OH 3.03Å; C214-Y509 HydrophobicContact CB-CD2 4.1Å; C214-Y509 HydrophobicContact CB-CG 3.98Å; C214-Y509 WeakPolarHBondContact SG-CD2 3.48Å; F220-Y509 HydrophobicContact CE1-CD2 4.18Å; F220-Y509 HydrophobicContact CE1-CE2 4.09Å; Y221-Y509 WeakPolarHBondContact OH-CD2 3.47Å; E265-Y509 PolarHBondContact OE1-OH 3.13Å; E265-Y509 WeakPolarHBondContact OE2-CE2 3.43Å; N336-Y509 PolarHBondContact O-N 2.86Å; Y509-P511 HydrophobicContact CD1-CG 4.48Å; Y509-P511 HydrophobicContact CE1-CG 3.73Å
510	E	95	Very high	95.9	Very high	6 Å²	6	9.4 Å²	9.4	3%	0.028	5%	0.045	C	C	.	.	B	Isolated β-bridge	trans	-147.3	96.7	179.9	-176.2	158.6	-122.5	0	0	110.6	K337 S507 W512 S532 G533	K337-E510 IonicContact NZ-OE1 2.79Å; K337-E510 PolarHBondContact NZ-OE1 3.45Å; S507-E510 WeakPolarHBondContact CB-OE2 3.34Å; S507-E510 VanDerWaalsContact OG-CD 3.24Å; S507-E510 PolarHBondContact OG-OE2 3.11Å; E510-W512 PolarHBondContact O-N 3.37Å; E510-W512 VanDerWaalsContact O-N 3.12Å; E510-S532 WeakPolarHBondContact CG-OG 3.49Å; E510-S532 WeakPolarHBondContact O-CA 3.47Å; E510-S532 PolarHBondContact OE2-OG 3.37Å; E510-G533 PolarHBondContact O-N 2.53Å
511	P	94.8	Very high	95.5	Very high	23 Å²	23	11 Å²	11	15%	0.149	6%	0.055	C	C	.	.	S	Bend	trans	-58.4	-31.7	-173.7	-26.9	33.4	0	0	0	114.4	H205 A206 V258 S259 T262 Y509	H205-P511 WeakPolarHBondContact O-CB 3.48Å; A206-P511 HydrophobicContact CB-CB 4.25Å; A206-P511 HydrophobicContact CB-CG 3.58Å; V258-P511 HydrophobicContact CG2-CB 4.33Å; S259-P511 WeakPolarHBondContact CB-O 3.45Å; S259-P511 PolarHBondContact OG-O 3Å; T262-P511 WeakPolarHBondContact OG1-CA 2.94Å; Y509-P511 HydrophobicContact CD1-CG 4.48Å; Y509-P511 HydrophobicContact CE1-CG 3.73Å
512	W	95.2	Very high	95.2	Very high	8 Å²	8	11.6 Å²	11.6	3%	0.03	6%	0.058	C	C	.	.	S	Bend	trans	-127.2	-86.1	171.5	-179.4	-119.2	0	0	0	111.5	V258 P279 N280 E510 Y514 S532 G533 F534 F537	V258-W512 HydrophobicContact CG2-CB 4.3Å; P279-W512 HydrophobicContact CB-CH2 3.54Å; P279-W512 HydrophobicContact CB-CZ2 4.32Å; P279-W512 HydrophobicContact CB-CZ3 3.66Å; N280-W512 HydrophobicContact CB-CD2 4.2Å; N280-W512 HydrophobicContact CB-CG 4.04Å; N280-W512 WeakPolarHBondContact ND2-CB 3.3Å; N280-W512 VanDerWaalsContact ND2-CG 3.31Å; N280-W512 VanDerWaalsContact O-CE2 3.24Å; N280-W512 WeakPolarHBondContact O-CZ2 3.42Å; N280-W512 PolarHBondContact O-NE1 3.38Å; E510-W512 PolarHBondContact O-N 3.37Å; E510-W512 VanDerWaalsContact O-N 3.12Å; W512-Y514 AromaticContact CD1-CD1 3.89Å; W512-Y514 AromaticContact CD1-CE1 3.73Å; W512-Y514 AromaticContact CD1-CE2 3.99Å; W512-Y514 AromaticContact CD1-CZ 3.74Å; W512-S532 PolarHBondContact O-OG 3.03Å; W512-S532 VanDerWaalsContact O-OG 3.06Å; W512-G533 CarbonylContact O-C 3.4Å; W512-G533 WeakPolarHBondContact O-CA 3.45Å; W512-G533 PolarHBondContact O-N 3.29Å; W512-F534 WeakPolarHBondContact O-CB 3.44Å; W512-F534 PolarHBondContact O-N 3.03Å; W512-F537 HydrophobicContact CH2-CB 3.9Å; W512-F537 HydrophobicContact CH2-CD1 4.18Å; W512-F537 HydrophobicContact CH2-CD2 4.39Å; W512-F537 AromaticContact CH2-CG 3.9Å; W512-F537 HydrophobicContact CH2-CG 3.9Å; W512-F537 HydrophobicContact CZ3-CB 3.96Å; W512-F537 HydrophobicContact CZ3-CG 4.37Å
513	G	93.8	Very high	94.9	Very high	3 Å²	3	11.6 Å²	11.6	3%	0.031	6%	0.057	C	C	.	.			trans	118.6	68.7	-174.8	0	0	0	0	0	111.8	P516 A517	G513-P516 VanDerWaalsContact O-CD 3.31Å; G513-P516 WeakPolarHBondContact O-CD 3.26Å; G513-P516 VanDerWaalsContact O-CG 3.3Å; G513-P516 WeakPolarHBondContact O-CG 3.36Å; G513-A517 PolarHBondContact O-N 2.96Å
514	Y	92	Very high	94.8	Very high	44 Å²	44	11.6 Å²	11.6	17%	0.173	6%	0.058	C	C	.	.	H	α-helix	trans	-63.5	-41.4	176.2	-68.1	-77.4	0	0	0	112.4	V46 N280 L282 W512 A517 E518	V46-Y514 HydrophobicContact CG2-CE1 4.31Å; V46-Y514 WeakPolarHBondContact CG2-OH 3.31Å; N280-Y514 HydrophobicContact CB-CE1 3.77Å; N280-Y514 VanDerWaalsContact CB-OH 3.31Å; N280-Y514 WeakPolarHBondContact CB-OH 2.96Å; N280-Y514 PolarHBondContact ND2-OH 2.94Å; L282-Y514 HydrophobicContact CD2-CD1 4.39Å; W512-Y514 AromaticContact CD1-CD1 3.89Å; W512-Y514 AromaticContact CD1-CE1 3.73Å; W512-Y514 AromaticContact CD1-CE2 3.99Å; W512-Y514 AromaticContact CD1-CZ 3.74Å; Y514-A517 CarbonylContact O-C 3.5Å; Y514-A517 WeakPolarHBondContact O-CA 3.39Å; Y514-A517 WeakPolarHBondContact O-CB 3.24Å; Y514-A517 PolarHBondContact O-N 3.12Å; Y514-E518 WeakPolarHBondContact O-CB 3.31Å; Y514-E518 VanDerWaalsContact O-CG 3.28Å; Y514-E518 WeakPolarHBondContact O-CG 3.47Å; Y514-E518 PolarHBondContact O-N 3.47Å
515	T	93.4	Very high	94.8	Very high	17 Å²	17	11.7 Å²	11.7	10%	0.104	6%	0.058	C	C	.	.	H	α-helix	trans	-57.5	-49	-175.8	-47.5	0	0	0	0	112.7	A329 Y493 F505 C519	A329-T515 HydrophobicContact CB-CG2 4.18Å; Y493-T515 VanDerWaalsContact OH-CG2 3.28Å; Y493-T515 WeakPolarHBondContact OH-CG2 3.48Å; F505-T515 HydrophobicContact CD1-CG2 3.78Å; F505-T515 HydrophobicContact CE1-CG2 3.17Å; F505-T515 HydrophobicContact CE2-CG2 4.21Å; F505-T515 HydrophobicContact CZ-CG2 3.41Å; F505-T515 VanDerWaalsContact CZ-CG2 3.41Å; T515-C519 PolarHBondContact O-N 2.96Å; T515-C519 PolarHBondContact O-SG 3.45Å
516	P	96.4	Very high	94.8	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-68.8	-31	172.1	23.4	-32.1	0	0	0	114.3	F505 G513 C519 T520 F534	F505-P516 HydrophobicContact CD2-CB 3.69Å; F505-P516 HydrophobicContact CD2-CG 4.12Å; F505-P516 HydrophobicContact CE2-CB 4.03Å; G513-P516 VanDerWaalsContact O-CD 3.31Å; G513-P516 WeakPolarHBondContact O-CD 3.26Å; G513-P516 VanDerWaalsContact O-CG 3.3Å; G513-P516 WeakPolarHBondContact O-CG 3.36Å; P516-C519 WeakPolarHBondContact O-CB 3.37Å; P516-C519 PolarHBondContact O-N 3.24Å; P516-T520 PolarHBondContact O-N 3.1Å; P516-T520 PolarHBondContact O-OG1 3.29Å; P516-F534 HydrophobicContact CB-CD1 3.63Å; P516-F534 HydrophobicContact CB-CE1 3.62Å; P516-F534 HydrophobicContact CB-CG 4.18Å; P516-F534 HydrophobicContact CB-CZ 4.13Å; P516-F534 HydrophobicContact CG-CB 4.22Å; P516-F534 HydrophobicContact CG-CD1 3.68Å; P516-F534 HydrophobicContact CG-CE1 4.21Å; P516-F534 HydrophobicContact CG-CG 3.91Å
517	A	93.8	Very high	94.8	Very high	1 Å²	1	11.5 Å²	11.5	1%	0.008	6%	0.057	C	C	.	.	H	α-helix	trans	-64.3	-46.8	174.2	0	0	0	0	0	111.6	L282 G513 Y514 C519 T520 V521 F534 L596	L282-A517 HydrophobicContact CD1-CB 4.01Å; G513-A517 PolarHBondContact O-N 2.96Å; Y514-A517 CarbonylContact O-C 3.5Å; Y514-A517 WeakPolarHBondContact O-CA 3.39Å; Y514-A517 WeakPolarHBondContact O-CB 3.24Å; Y514-A517 PolarHBondContact O-N 3.12Å; A517-C519 VanDerWaalsContact C-N 3.33Å; A517-C519 PolarHBondContact O-N 3.06Å; A517-T520 WeakPolarHBondContact O-CB 3.5Å; A517-T520 PolarHBondContact O-N 3.29Å; A517-T520 VanDerWaalsContact O-N 3.11Å; A517-V521 WeakPolarHBondContact O-CG2 3.47Å; A517-V521 PolarHBondContact O-N 3.01Å; A517-F534 HydrophobicContact CB-CD2 3.85Å; A517-F534 HydrophobicContact CB-CE2 4Å; A517-L596 HydrophobicContact CB-CD1 4.16Å
518	E	91.9	Very high	94.9	Very high	48 Å²	48	11.5 Å²	11.5	22%	0.224	6%	0.057	C	C	.	.	H	α-helix	trans	-59.2	-41.5	173.5	-72.1	169.8	167.1	0	0	111.6	L282 Y493 Y514 T520 V521 M522	L282-E518 HydrophobicContact CD1-CG 4.03Å; Y493-E518 WeakPolarHBondContact CE1-OE2 3.38Å; Y493-E518 PolarHBondContact OH-OE2 3.48Å; Y514-E518 WeakPolarHBondContact O-CB 3.31Å; Y514-E518 VanDerWaalsContact O-CG 3.28Å; Y514-E518 WeakPolarHBondContact O-CG 3.47Å; Y514-E518 PolarHBondContact O-N 3.47Å; E518-T520 VanDerWaalsContact C-N 3.3Å; E518-T520 PolarHBondContact O-N 3.12Å; E518-V521 PolarHBondContact O-N 2.82Å; E518-M522 HydrophobicContact CB-CE 3.9Å; E518-M522 WeakPolarHBondContact O-CG 3.47Å; E518-M522 PolarHBondContact O-N 3.12Å
519	C	94.9	Very high	95	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-57.3	-46.3	173.5	-68.5	0	0	0	0	111.2	F327 T515 P516 A517 M522 G523 I524	F327-C519 VanDerWaalsContact CZ-SG 3.51Å; T515-C519 PolarHBondContact O-N 2.96Å; T515-C519 PolarHBondContact O-SG 3.45Å; P516-C519 WeakPolarHBondContact O-CB 3.37Å; P516-C519 PolarHBondContact O-N 3.24Å; A517-C519 VanDerWaalsContact C-N 3.33Å; A517-C519 PolarHBondContact O-N 3.06Å; C519-M522 CarbonylContact O-C 3.47Å; C519-M522 PolarHBondContact O-N 2.85Å; C519-M522 VanDerWaalsContact O-N 3.12Å; C519-G523 PolarHBondContact O-N 3.41Å; C519-I524 CarbonylContact C-O 3.02Å; C519-I524 HydrophobicContact CB-CB 4.26Å; C519-I524 WeakPolarHBondContact CB-O 3.45Å; C519-I524 PolarHBondContact O-N 3.27Å
520	T	94.4	Very high	95.1	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-62.5	-46	-179.4	-54.6	0	0	0	0	111.1	P516 A517 E518 M522 G523 F534 M538 I550 T589 L592 L596	P516-T520 PolarHBondContact O-N 3.1Å; P516-T520 PolarHBondContact O-OG1 3.29Å; A517-T520 WeakPolarHBondContact O-CB 3.5Å; A517-T520 PolarHBondContact O-N 3.29Å; A517-T520 VanDerWaalsContact O-N 3.11Å; E518-T520 VanDerWaalsContact C-N 3.3Å; E518-T520 PolarHBondContact O-N 3.12Å; T520-M522 PolarHBondContact O-N 3.01Å; T520-G523 PolarHBondContact O-N 2.97Å; T520-F534 WeakPolarHBondContact OG1-CZ 3.31Å; T520-M538 HydrophobicContact CG2-CE 3.93Å; T520-I550 HydrophobicContact CG2-CD1 4.28Å; T520-T589 HydrophobicContact CG2-CG2 4.08Å; T520-T589 WeakPolarHBondContact CG2-O 3.39Å; T520-L592 HydrophobicContact CG2-CB 3.77Å; T520-L596 HydrophobicContact CG2-CD1 3.84Å
521	V	91	Very high	95.1	Very high	34 Å²	34	9.9 Å²	9.9	21%	0.206	5%	0.051	C	C	.	.	H	α-helix	trans	-60.3	-29.8	175.2	172.6	0	0	0	0	112.3	L282 V284 A517 E518 G523 L596	L282-V521 HydrophobicContact CD1-CG2 3.97Å; V284-V521 HydrophobicContact CG1-CG1 4.22Å; V284-V521 HydrophobicContact CG2-CG1 4.11Å; V284-V521 HydrophobicContact CG2-CG2 3.92Å; A517-V521 WeakPolarHBondContact O-CG2 3.47Å; A517-V521 PolarHBondContact O-N 3.01Å; E518-V521 PolarHBondContact O-N 2.82Å; V521-G523 VanDerWaalsContact C-N 3.33Å; V521-L596 HydrophobicContact CG2-CD1 4.42Å
522	M	91.1	Very high	95.2	Very high	15 Å²	15	8.8 Å²	8.8	7%	0.074	4%	0.044	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	5.4	175.8	-66.1	-175.3	-124.4	0	0	113.9	E494 V497 R498 E518 C519 T520 I524	E494-M522 HydrophobicContact CB-CE 4.16Å; E494-M522 HydrophobicContact CB-SD 4.06Å; E494-M522 HydrophobicContact CG-CE 4.16Å; V497-M522 HydrophobicContact CB-CE 4.19Å; V497-M522 HydrophobicContact CB-SD 3.86Å; V497-M522 HydrophobicContact CG1-CE 4.05Å; V497-M522 HydrophobicContact CG1-SD 3.74Å; R498-M522 HydrophobicContact CG-CB 4.09Å; R498-M522 HydrophobicContact CG-CG 4.19Å; R498-M522 HydrophobicContact CG-SD 3.81Å; E518-M522 HydrophobicContact CB-CE 3.9Å; E518-M522 WeakPolarHBondContact O-CG 3.47Å; E518-M522 PolarHBondContact O-N 3.12Å; C519-M522 CarbonylContact O-C 3.47Å; C519-M522 PolarHBondContact O-N 2.85Å; C519-M522 VanDerWaalsContact O-N 3.12Å; T520-M522 PolarHBondContact O-N 3.01Å; M522-I524 VanDerWaalsContact C-N 3.29Å; M522-I524 HydrophobicContact CB-CG1 4.2Å; M522-I524 PolarHBondContact O-N 3.41Å
523	G	93.1	Very high	95.3	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.6	23.7	-178.2	0	0	0	0	0	113.9	C519 T520 V521 R586	C519-G523 PolarHBondContact O-N 3.41Å; T520-G523 PolarHBondContact O-N 2.97Å; V521-G523 VanDerWaalsContact C-N 3.33Å; G523-R586 WeakPolarHBondContact O-CA 3.41Å; G523-R586 WeakPolarHBondContact O-CB 3.44Å; G523-R586 WeakPolarHBondContact O-CG 3.26Å
524	I	97	Very high	95.4	Very high	1 Å²	1	8.3 Å²	8.3	1%	0.005	4%	0.042	C	C	.	.			trans	-103.5	117.7	-179.9	-55	-58.1	0	0	0	109.2	V497 C519 M522	V497-I524 HydrophobicContact CG1-CG1 4.24Å; C519-I524 CarbonylContact C-O 3.02Å; C519-I524 HydrophobicContact CB-CB 4.26Å; C519-I524 WeakPolarHBondContact CB-O 3.45Å; C519-I524 PolarHBondContact O-N 3.27Å; M522-I524 VanDerWaalsContact C-N 3.29Å; M522-I524 HydrophobicContact CB-CG1 4.2Å; M522-I524 PolarHBondContact O-N 3.41Å
525	P	98.3	Very high	95.6	Very high	2 Å²	2	6.2 Å²	6.2	1%	0.013	3%	0.034	C	C	.	.			trans	-51.6	147.9	174.2	-30.4	36.1	0	0	0	111.7	L502 G503 G549 Y551 F574 Q585 R586	L502-P525 WeakPolarHBondContact CA-O 3.35Å; L502-P525 HydrophobicContact CD1-CB 3.84Å; G503-P525 PolarHBondContact N-O 3.4Å; P525-G549 CarbonylContact C-O 3.49Å; P525-G549 VanDerWaalsContact CA-O 3.27Å; P525-G549 WeakPolarHBondContact CA-O 3.29Å; P525-G549 WeakPolarHBondContact CB-O 3.4Å; P525-Y551 HydrophobicContact CB-CE2 4.44Å; P525-F574 HydrophobicContact CB-CE2 4.49Å; P525-Q585 HydrophobicContact CG-CG 4.02Å; P525-R586 HydrophobicContact CG-CG 4.46Å
526	S	98.4	Very high	95.6	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	148.9	-179.9	65.7	0	0	0	0	112.9	G503 G549 Y551	G503-S526 CarbonylContact O-C 3.55Å; G503-S526 VanDerWaalsContact O-CA 3.25Å; G503-S526 WeakPolarHBondContact O-CA 3.3Å; S526-G549 PolarHBondContact N-O 3.04Å; S526-Y551 PolarHBondContact O-N 3.25Å
527	I	98.8	Very high	95.5	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	125.6	167.4	-47.1	-169.5	0	0	0	108	L502 G503 V504 F505 Y551 L553 L567 F570 L571	L502-I527 HydrophobicContact CD1-CG1 4.14Å; L502-I527 HydrophobicContact CD2-CD1 4.06Å; L502-I527 HydrophobicContact CD2-CG1 4.25Å; L502-I527 HydrophobicContact CG-CG1 4.38Å; G503-I527 PolarHBondContact O-N 2.89Å; V504-I527 HydrophobicContact CG1-CB 4.37Å; V504-I527 HydrophobicContact CG1-CD1 4.34Å; V504-I527 HydrophobicContact CG2-CD1 4.31Å; V504-I527 HydrophobicContact CG2-CG1 4.42Å; F505-I527 CarbonylContact C-O 3.56Å; F505-I527 WeakPolarHBondContact CA-O 3.27Å; F505-I527 PolarHBondContact N-O 2.72Å; I527-Y551 CarbonylContact C-O 3.58Å; I527-Y551 VanDerWaalsContact CA-O 3.32Å; I527-Y551 WeakPolarHBondContact CA-O 3.45Å; I527-Y551 HydrophobicContact CG1-CD2 4.13Å; I527-Y551 HydrophobicContact CG1-CG 4.28Å; I527-L553 HydrophobicContact CG2-CB 4.47Å; I527-L567 HydrophobicContact CD1-CD1 3.6Å; I527-L567 HydrophobicContact CG2-CD1 3.88Å; I527-F570 HydrophobicContact CD1-CB 3.99Å; I527-F570 HydrophobicContact CG2-CD2 4.36Å; I527-L571 HydrophobicContact CD1-CD2 3.76Å; I527-L571 HydrophobicContact CD1-CG 4.39Å
528	S	98.2	Very high	95.4	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	4%	0.036	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	-167.3	172	-168.2	0	0	0	0	109.7	F505 S532 Y551 L553	F505-S528 WeakPolarHBondContact O-CA 3.34Å; S528-S532 WeakPolarHBondContact OG-CB 3.4Å; S528-S532 PolarHBondContact OG-OG 2.84Å; S528-Y551 PolarHBondContact N-O 2.87Å; S528-L553 WeakPolarHBondContact O-CB 3.3Å; S528-L553 PolarHBondContact O-N 2.94Å
529	T	98.3	Very high	95.4	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	158	-178	73.4	0	0	0	0	111.5	P506 S507 L531 S532 G535 L553 R555	P506-T529 VanDerWaalsContact CA-CG2 3.42Å; P506-T529 HydrophobicContact CB-CG2 4.37Å; S507-T529 WeakPolarHBondContact O-CB 3.2Å; S507-T529 WeakPolarHBondContact O-CG2 3.45Å; S507-T529 PolarHBondContact O-OG1 3.02Å; T529-L531 PolarHBondContact O-N 3.11Å; T529-L531 VanDerWaalsContact O-N 3.12Å; T529-L531 PolarHBondContact OG1-N 3.5Å; T529-S532 WeakPolarHBondContact O-CB 3.34Å; T529-S532 PolarHBondContact O-N 3Å; T529-S532 PolarHBondContact OG1-N 3.11Å; T529-G535 WeakPolarHBondContact O-CA 3.32Å; T529-L553 VanDerWaalsContact CA-O 3.25Å; T529-L553 WeakPolarHBondContact CA-O 3.49Å; T529-L553 HydrophobicContact CG2-CB 4.2Å; T529-L553 HydrophobicContact CG2-CD2 4.34Å; T529-R555 HydrophobicContact CG2-CG 3.99Å
530	N	96.3	Very high	95	Very high	10 Å²	10	14.5 Å²	14.5	5%	0.053	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	12.4	169.1	64.9	-7.4	0	0	0	113.9	C536 I552 L553 D554 R555 R556	N530-C536 PolarHBondContact O-SG 2.98Å; N530-I552 HydrophobicContact CB-CG2 4.15Å; N530-L553 PolarHBondContact N-O 3.03Å; N530-L553 VanDerWaalsContact N-O 3.09Å; N530-L553 PolarHBondContact OD1-O 3.28Å; N530-D554 PolarHBondContact ND2-OD1 3.34Å; N530-R555 PolarHBondContact OD1-N 3.47Å; N530-R556 PolarHBondContact OD1-N 3.41Å; N530-R556 VanDerWaalsContact OD1-N 3.16Å
531	L	96.3	Very high	94.6	Very high	1 Å²	1	15.5 Å²	15.5	1%	0.005	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.6	-2.5	167.3	-64.9	178.9	0	0	0	112.3	Y221 I261 Y508 T529 R555 R556	Y221-L531 HydrophobicContact CD1-CD2 4.14Å; Y221-L531 HydrophobicContact CD2-CD1 3.75Å; Y221-L531 HydrophobicContact CD2-CD2 3.58Å; Y221-L531 HydrophobicContact CD2-CG 4.21Å; Y221-L531 HydrophobicContact CE1-CD2 4.41Å; Y221-L531 HydrophobicContact CE2-CB 4.26Å; Y221-L531 HydrophobicContact CE2-CD1 3.96Å; Y221-L531 HydrophobicContact CE2-CD2 3.87Å; Y221-L531 HydrophobicContact CE2-CG 4.26Å; Y221-L531 HydrophobicContact CG-CD2 3.72Å; I261-L531 HydrophobicContact CD1-CD2 4.04Å; Y508-L531 HydrophobicContact CD2-CD1 3.72Å; Y508-L531 HydrophobicContact CE2-CD1 4Å; Y508-L531 WeakPolarHBondContact O-CB 3.41Å; T529-L531 PolarHBondContact O-N 3.11Å; T529-L531 VanDerWaalsContact O-N 3.12Å; T529-L531 PolarHBondContact OG1-N 3.5Å; L531-R555 HydrophobicContact CD1-CB 3.73Å; L531-R555 WeakPolarHBondContact CD1-O 3.42Å; L531-R555 HydrophobicContact CG-CB 4.21Å; L531-R556 HydrophobicContact CD2-CB 3.71Å; L531-R556 HydrophobicContact CD2-CG 3.85Å; L531-R556 HydrophobicContact CG-CB 4.14Å
532	S	97.1	Very high	94.4	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.067	C	C	.	.	B	Isolated β-bridge	trans	-96.4	135.8	174.1	-175.9	0	0	0	0	109.2	E510 W512 S528 T529 F534 G535 C536	E510-S532 WeakPolarHBondContact CG-OG 3.49Å; E510-S532 WeakPolarHBondContact O-CA 3.47Å; E510-S532 PolarHBondContact OE2-OG 3.37Å; W512-S532 PolarHBondContact O-OG 3.03Å; W512-S532 VanDerWaalsContact O-OG 3.06Å; S528-S532 WeakPolarHBondContact OG-CB 3.4Å; S528-S532 PolarHBondContact OG-OG 2.84Å; T529-S532 WeakPolarHBondContact O-CB 3.34Å; T529-S532 PolarHBondContact O-N 3Å; T529-S532 PolarHBondContact OG1-N 3.11Å; S532-F534 VanDerWaalsContact C-N 3.26Å; S532-F534 PolarHBondContact O-N 3.48Å; S532-G535 PolarHBondContact O-N 3.44Å; S532-C536 PolarHBondContact O-N 3.27Å; S532-C536 PolarHBondContact O-SG 3.07Å
533	G	96.1	Very high	94	Very high	1 Å²	1	15.2 Å²	15.2	1%	0.01	8%	0.081	C	C	.	.	H	α-helix	trans	-56.7	-39	-180	0	0	0	0	0	113.7	E510 W512 F537	E510-G533 PolarHBondContact O-N 2.53Å; W512-G533 CarbonylContact O-C 3.4Å; W512-G533 WeakPolarHBondContact O-CA 3.45Å; W512-G533 PolarHBondContact O-N 3.29Å; G533-F537 WeakPolarHBondContact O-CB 3.39Å; G533-F537 PolarHBondContact O-N 2.76Å
534	F	96.7	Very high	93.8	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-62.6	-45.6	173.5	169.9	-92.2	0	0	0	111.2	W512 P516 A517 T520 S532 F537 M538 I550 L596	W512-F534 WeakPolarHBondContact O-CB 3.44Å; W512-F534 PolarHBondContact O-N 3.03Å; P516-F534 HydrophobicContact CB-CD1 3.63Å; P516-F534 HydrophobicContact CB-CE1 3.62Å; P516-F534 HydrophobicContact CB-CG 4.18Å; P516-F534 HydrophobicContact CB-CZ 4.13Å; P516-F534 HydrophobicContact CG-CB 4.22Å; P516-F534 HydrophobicContact CG-CD1 3.68Å; P516-F534 HydrophobicContact CG-CE1 4.21Å; P516-F534 HydrophobicContact CG-CG 3.91Å; A517-F534 HydrophobicContact CB-CD2 3.85Å; A517-F534 HydrophobicContact CB-CE2 4Å; T520-F534 WeakPolarHBondContact OG1-CZ 3.31Å; S532-F534 VanDerWaalsContact C-N 3.26Å; S532-F534 PolarHBondContact O-N 3.48Å; F534-F537 PolarHBondContact O-N 3.11Å; F534-M538 HydrophobicContact CD1-CG 4.27Å; F534-M538 HydrophobicContact CD2-CG 4.2Å; F534-M538 HydrophobicContact CE1-CG 3.82Å; F534-M538 HydrophobicContact CE2-CE 3.73Å; F534-M538 HydrophobicContact CE2-CG 3.75Å; F534-M538 HydrophobicContact CE2-SD 4.2Å; F534-M538 HydrophobicContact CG-CG 4.45Å; F534-M538 HydrophobicContact CZ-CE 3.57Å; F534-M538 HydrophobicContact CZ-CG 3.56Å; F534-M538 HydrophobicContact CZ-SD 4.28Å; F534-M538 VanDerWaalsContact O-CG 3.32Å; F534-M538 WeakPolarHBondContact O-CG 3.48Å; F534-M538 PolarHBondContact O-N 2.94Å; F534-I550 HydrophobicContact CE1-CG2 4.21Å; F534-I550 HydrophobicContact CZ-CD1 4.26Å; F534-L596 HydrophobicContact CD2-CD2 4.39Å; F534-L596 HydrophobicContact CE2-CD1 3.97Å; F534-L596 HydrophobicContact CE2-CD2 4.14Å
535	G	96	Very high	93.5	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-61.5	-47.3	178.6	0	0	0	0	0	111.7	T529 S532 F537 M538 E539 I552	T529-G535 WeakPolarHBondContact O-CA 3.32Å; S532-G535 PolarHBondContact O-N 3.44Å; G535-F537 PolarHBondContact O-N 3.41Å; G535-M538 PolarHBondContact O-N 3.15Å; G535-E539 WeakPolarHBondContact O-CB 3.25Å; G535-E539 PolarHBondContact O-N 3.16Å; G535-I552 WeakPolarHBondContact O-CD1 3.44Å
536	C	93.5	Very high	93.1	Very high	19 Å²	19	20.8 Å²	20.8	13%	0.128	11%	0.114	C	C	.	.	H	α-helix	trans	-58.8	-45.4	174.6	-63.4	0	0	0	0	112	N530 S532 E539 E540	N530-C536 PolarHBondContact O-SG 2.98Å; S532-C536 PolarHBondContact O-N 3.27Å; S532-C536 PolarHBondContact O-SG 3.07Å; C536-E539 PolarHBondContact O-N 3.09Å; C536-E540 PolarHBondContact O-N 2.57Å; C536-E540 VanDerWaalsContact O-N 3.14Å
537	F	93.8	Very high	92.7	Very high	9 Å²	9	21.4 Å²	21.4	4%	0.039	12%	0.119	C	C	.	.	H	α-helix	trans	-60.1	-47.5	178.6	176	-96.4	0	0	0	111.9	P279 W512 G533 F534 G535 E540 H541 L596 Y600 L601	P279-F537 HydrophobicContact CB-CD2 4.2Å; P279-F537 HydrophobicContact CB-CE2 4.37Å; P279-F537 HydrophobicContact CG-CD2 4.02Å; P279-F537 HydrophobicContact CG-CE2 4.13Å; W512-F537 HydrophobicContact CH2-CB 3.9Å; W512-F537 HydrophobicContact CH2-CD1 4.18Å; W512-F537 HydrophobicContact CH2-CD2 4.39Å; W512-F537 AromaticContact CH2-CG 3.9Å; W512-F537 HydrophobicContact CH2-CG 3.9Å; W512-F537 HydrophobicContact CZ3-CB 3.96Å; W512-F537 HydrophobicContact CZ3-CG 4.37Å; G533-F537 WeakPolarHBondContact O-CB 3.39Å; G533-F537 PolarHBondContact O-N 2.76Å; F534-F537 PolarHBondContact O-N 3.11Å; G535-F537 PolarHBondContact O-N 3.41Å; F537-E540 PolarHBondContact O-N 3.3Å; F537-H541 AromaticContact CD2-CE1 3.49Å; F537-H541 VanDerWaalsContact CD2-CE1 3.49Å; F537-H541 WeakPolarHBondContact CD2-CE1 3.43Å; F537-H541 AromaticContact CD2-ND1 3.55Å; F537-H541 AromaticContact CE2-CE1 3.36Å; F537-H541 WeakPolarHBondContact CE2-CE1 3.5Å; F537-H541 AromaticContact CE2-CG 4Å; F537-H541 AromaticContact CE2-ND1 3.56Å; F537-H541 AromaticContact CE2-NE2 3.64Å; F537-H541 WeakPolarHBondContact O-CB 3.4Å; F537-H541 PolarHBondContact O-N 2.86Å; F537-H541 VanDerWaalsContact O-N 3.09Å; F537-H541 PolarHBondContact O-ND1 2.83Å; F537-L596 HydrophobicContact CD1-CD2 4.17Å; F537-L596 HydrophobicContact CE1-CD2 3.89Å; F537-Y600 HydrophobicContact CZ-CE1 4.38Å; F537-L601 HydrophobicContact CE2-CD2 3.82Å; F537-L601 HydrophobicContact CZ-CD2 3.72Å
538	M	93	Very high	92.4	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-67.3	-36.2	179.7	-67.7	-58.9	-124.6	0	0	112.8	T520 F534 G535 E540 I542 I550 I552 L592 L596	T520-M538 HydrophobicContact CG2-CE 3.93Å; F534-M538 HydrophobicContact CD1-CG 4.27Å; F534-M538 HydrophobicContact CD2-CG 4.2Å; F534-M538 HydrophobicContact CE1-CG 3.82Å; F534-M538 HydrophobicContact CE2-CE 3.73Å; F534-M538 HydrophobicContact CE2-CG 3.75Å; F534-M538 HydrophobicContact CE2-SD 4.2Å; F534-M538 HydrophobicContact CG-CG 4.45Å; F534-M538 HydrophobicContact CZ-CE 3.57Å; F534-M538 HydrophobicContact CZ-CG 3.56Å; F534-M538 HydrophobicContact CZ-SD 4.28Å; F534-M538 VanDerWaalsContact O-CG 3.32Å; F534-M538 WeakPolarHBondContact O-CG 3.48Å; F534-M538 PolarHBondContact O-N 2.94Å; G535-M538 PolarHBondContact O-N 3.15Å; M538-E540 VanDerWaalsContact C-N 3.32Å; M538-E540 PolarHBondContact O-N 2.87Å; M538-I542 HydrophobicContact CB-CD1 4.24Å; M538-I542 HydrophobicContact CE-CD1 4.08Å; M538-I542 WeakPolarHBondContact O-CB 3.29Å; M538-I542 PolarHBondContact O-N 2.89Å; M538-I542 VanDerWaalsContact O-N 3.14Å; M538-I542 HydrophobicContact SD-CD1 3.62Å; M538-I550 HydrophobicContact CB-CG2 4.02Å; M538-I550 HydrophobicContact CE-CD1 3.99Å; M538-I550 HydrophobicContact CE-CG1 4.02Å; M538-I550 HydrophobicContact CG-CG2 4.2Å; M538-I552 HydrophobicContact CB-CD1 4.48Å; M538-L592 HydrophobicContact CE-CB 4.29Å; M538-L592 HydrophobicContact CE-CD1 3.95Å; M538-L596 HydrophobicContact CE-CD1 4.27Å; M538-L596 HydrophobicContact SD-CD2 4.46Å
539	E	90.8	Very high	92.2	Very high	97 Å²	97	21.4 Å²	21.4	45%	0.453	12%	0.119	S	C	.	.	H	α-helix	trans	-62.5	-39.9	176.2	-168.1	166.8	-146.4	0	0	112.2	G535 C536 I552	G535-E539 WeakPolarHBondContact O-CB 3.25Å; G535-E539 PolarHBondContact O-N 3.16Å; C536-E539 PolarHBondContact O-N 3.09Å; E539-I552 HydrophobicContact CB-CD1 3.6Å; E539-I552 HydrophobicContact CG-CD1 4.2Å
540	E	87.8	Confident	92.2	Very high	116 Å²	116	21.4 Å²	21.4	54%	0.542	12%	0.119	S	C	.	.	H	α-helix	trans	-72.6	-42.8	-179.8	-176.2	174	-168.8	0	0	112.1	C536 F537 M538	C536-E540 PolarHBondContact O-N 2.57Å; C536-E540 VanDerWaalsContact O-N 3.14Å; F537-E540 PolarHBondContact O-N 3.3Å; M538-E540 VanDerWaalsContact C-N 3.32Å; M538-E540 PolarHBondContact O-N 2.87Å
541	H	85.3	Confident	92.3	Very high	20 Å²	20	21.2 Å²	21.2	9%	0.093	12%	0.118	C	C	.	.	H	α-helix	trans	-91.6	-8.3	-169.6	-67	75.7	0	0	0	114.4	F537 R635 Y636	F537-H541 AromaticContact CD2-CE1 3.49Å; F537-H541 VanDerWaalsContact CD2-CE1 3.49Å; F537-H541 WeakPolarHBondContact CD2-CE1 3.43Å; F537-H541 AromaticContact CD2-ND1 3.55Å; F537-H541 AromaticContact CE2-CE1 3.36Å; F537-H541 WeakPolarHBondContact CE2-CE1 3.5Å; F537-H541 AromaticContact CE2-CG 4Å; F537-H541 AromaticContact CE2-ND1 3.56Å; F537-H541 AromaticContact CE2-NE2 3.64Å; F537-H541 WeakPolarHBondContact O-CB 3.4Å; F537-H541 PolarHBondContact O-N 2.86Å; F537-H541 VanDerWaalsContact O-N 3.09Å; F537-H541 PolarHBondContact O-ND1 2.83Å; H541-R635 WeakPolarHBondContact O-CA 3.41Å; H541-Y636 PolarHBondContact O-N 2.75Å
542	I	86.4	Confident	92.4	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.123	C	C	.	.	B	Isolated β-bridge	trans	-124.5	137.2	-175.7	-54.4	171.1	0	0	0	110.6	M538 P545 Y548 L592 L595 R635	M538-I542 HydrophobicContact CB-CD1 4.24Å; M538-I542 HydrophobicContact CE-CD1 4.08Å; M538-I542 WeakPolarHBondContact O-CB 3.29Å; M538-I542 PolarHBondContact O-N 2.89Å; M538-I542 VanDerWaalsContact O-N 3.14Å; M538-I542 HydrophobicContact SD-CD1 3.62Å; I542-P545 HydrophobicContact CB-CG 4.13Å; I542-P545 HydrophobicContact CG2-CB 4.49Å; I542-P545 HydrophobicContact CG2-CG 4.25Å; I542-Y548 HydrophobicContact CG2-CD2 3.94Å; I542-Y548 HydrophobicContact CG2-CE2 4.34Å; I542-L592 HydrophobicContact CD1-CD1 3.6Å; I542-L592 HydrophobicContact CD1-CD2 3.83Å; I542-L592 HydrophobicContact CD1-CG 4.33Å; I542-L592 HydrophobicContact CG1-CD2 4.4Å; I542-L595 HydrophobicContact CD1-CD1 4.43Å; I542-L595 HydrophobicContact CG1-CD1 4.23Å; I542-R635 PolarHBondContact O-NE 2.89Å; I542-R635 PolarHBondContact O-NH2 2.99Å
543	A	83.7	Confident	92.4	Very high	44 Å²	44	22.2 Å²	22.2	36%	0.364	12%	0.123	S	C	.	.	S	Bend	trans	-71.7	-42.7	179.8	0	0	0	0	0	113.4	R635 Y636	A543-R635 VanDerWaalsContact CA-NE 3.33Å; A543-R635 HydrophobicContact CB-CG 4.09Å; A543-Y636 WeakPolarHBondContact CB-O 3.29Å; A543-Y636 PolarHBondContact N-O 3.35Å
544	D	87.6	Confident	92.5	Very high	43 Å²	43	23.6 Å²	23.6	23%	0.23	13%	0.13	C	C	.	.			trans	-136.4	78.7	-179.6	-175.1	-5	0	0	0	109.7	T546 A547 Y548 R638	D544-T546 PolarHBondContact O-N 2.87Å; D544-A547 HydrophobicContact CB-CB 4.18Å; D544-A547 PolarHBondContact O-N 2.97Å; D544-A547 PolarHBondContact OD1-N 3.29Å; D544-A547 WeakPolarHBondContact OD2-CB 3.37Å; D544-Y548 WeakPolarHBondContact O-CD2 3.26Å; D544-R638 HydrophobicContact CB-CB 4.47Å; D544-R638 HydrophobicContact CB-CG 4.14Å; D544-R638 IonicContact OD2-NE 3.56Å; D544-R638 PolarHBondContact OD2-NE 3.45Å
545	P	90.8	Very high	92.5	Very high	19 Å²	19	25.1 Å²	25.1	12%	0.123	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-55.4	-35.9	-176.6	-24.2	31.5	0	0	0	113.1	I542 A547 Y548 G549 I550 I552	I542-P545 HydrophobicContact CB-CG 4.13Å; I542-P545 HydrophobicContact CG2-CB 4.49Å; I542-P545 HydrophobicContact CG2-CG 4.25Å; P545-A547 PolarHBondContact O-N 2.82Å; P545-Y548 CarbonylContact O-C 3.57Å; P545-Y548 PolarHBondContact O-N 2.91Å; P545-Y548 VanDerWaalsContact O-N 3.11Å; P545-G549 PolarHBondContact O-N 3.24Å; P545-I550 CarbonylContact C-O 3.59Å; P545-I550 HydrophobicContact CB-CB 3.97Å; P545-I550 HydrophobicContact CB-CG2 4.26Å; P545-I550 WeakPolarHBondContact CB-O 3.37Å; P545-I550 WeakPolarHBondContact O-CA 3.2Å; P545-I550 WeakPolarHBondContact O-CB 3.4Å; P545-I550 PolarHBondContact O-N 3.27Å; P545-I550 VanDerWaalsContact O-O 3.11Å; P545-I552 HydrophobicContact CB-CD1 4.17Å; P545-I552 HydrophobicContact CG-CD1 4.1Å
546	T	91.1	Very high	92.4	Very high	57 Å²	57	28.2 Å²	28.2	35%	0.35	15%	0.147	S	C	.	.	G	3₁₀ helix	trans	-66.4	-37.3	-176.5	-63	0	0	0	0	112	D544 Y548 G549 I550 Y551 Q585	D544-T546 PolarHBondContact O-N 2.87Å; T546-Y548 PolarHBondContact O-N 3.32Å; T546-G549 PolarHBondContact O-N 3.24Å; T546-I550 WeakPolarHBondContact CA-O 3.24Å; T546-I550 PolarHBondContact N-O 3.47Å; T546-Y551 HydrophobicContact CG2-CD1 3.82Å; T546-Y551 HydrophobicContact CG2-CE1 3.65Å; T546-Q585 PolarHBondContact O-NE2 3.27Å
547	A	89.3	Confident	92.5	Very high	13 Å²	13	35.1 Å²	35.1	11%	0.107	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-62.5	-26.8	175.2	0	0	0	0	0	113.5	D544 P545 R588 P639 V642	D544-A547 HydrophobicContact CB-CB 4.18Å; D544-A547 PolarHBondContact O-N 2.97Å; D544-A547 PolarHBondContact OD1-N 3.29Å; D544-A547 WeakPolarHBondContact OD2-CB 3.37Å; P545-A547 PolarHBondContact O-N 2.82Å; A547-R588 WeakPolarHBondContact O-CD 3.34Å; A547-R588 PolarHBondContact O-NH1 3.04Å; A547-P639 HydrophobicContact CB-CG 3.93Å; A547-V642 HydrophobicContact CB-CG2 4.2Å
548	Y	91.9	Very high	92.5	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-91.8	6	173.8	-70.6	-87	0	0	0	113.8	I542 D544 P545 T546 R588 T589 L592 Y636 P637 P639	I542-Y548 HydrophobicContact CG2-CD2 3.94Å; I542-Y548 HydrophobicContact CG2-CE2 4.34Å; D544-Y548 WeakPolarHBondContact O-CD2 3.26Å; P545-Y548 CarbonylContact O-C 3.57Å; P545-Y548 PolarHBondContact O-N 2.91Å; P545-Y548 VanDerWaalsContact O-N 3.11Å; T546-Y548 PolarHBondContact O-N 3.32Å; Y548-R588 HydrophobicContact CD1-CB 3.79Å; Y548-R588 WeakPolarHBondContact CD1-O 3.33Å; Y548-R588 HydrophobicContact CE1-CB 4.3Å; Y548-T589 VanDerWaalsContact O-CA 3.26Å; Y548-T589 WeakPolarHBondContact O-CA 3.33Å; Y548-T589 WeakPolarHBondContact O-CB 3.21Å; Y548-T589 PolarHBondContact O-N 2.9Å; Y548-T589 PolarHBondContact O-OG1 3.19Å; Y548-L592 VanDerWaalsContact CB-CD1 3.49Å; Y548-L592 HydrophobicContact CD1-CD1 4.31Å; Y548-L592 HydrophobicContact CD1-CD2 3.83Å; Y548-L592 HydrophobicContact CD1-CG 3.96Å; Y548-L592 HydrophobicContact CE1-CD2 4.33Å; Y548-L592 HydrophobicContact CG-CD1 4.04Å; Y548-L592 HydrophobicContact CG-CD2 4.05Å; Y548-L592 HydrophobicContact CG-CG 4.18Å; Y548-Y636 HydrophobicContact CD1-CE1 4.44Å; Y548-Y636 AromaticContact CE1-CD1 3.84Å; Y548-Y636 HydrophobicContact CE1-CD1 3.84Å; Y548-Y636 AromaticContact CE1-CE1 3.43Å; Y548-Y636 HydrophobicContact CE1-CE1 3.43Å; Y548-Y636 VanDerWaalsContact CE1-CE1 3.43Å; Y548-Y636 AromaticContact CE2-CD1 3.9Å; Y548-Y636 HydrophobicContact CE2-CD1 3.9Å; Y548-Y636 HydrophobicContact CE2-CE1 4.3Å; Y548-Y636 AromaticContact CZ-CD1 3.4Å; Y548-Y636 VanDerWaalsContact CZ-CD1 3.4Å; Y548-Y636 AromaticContact CZ-CE1 3.35Å; Y548-Y636 WeakPolarHBondContact OH-CD1 3.48Å; Y548-Y636 WeakPolarHBondContact OH-CE1 3.18Å; Y548-P637 WeakPolarHBondContact CE2-O 3.43Å; Y548-P637 PolarHBondContact OH-O 2.94Å; Y548-P639 HydrophobicContact CD1-CG 4.48Å; Y548-P639 HydrophobicContact CD2-CG 4.1Å; Y548-P639 HydrophobicContact CE1-CG 3.97Å; Y548-P639 HydrophobicContact CE2-CG 3.56Å; Y548-P639 VanDerWaalsContact CZ-CG 3.44Å; Y548-P639 WeakPolarHBondContact OH-CA 3.33Å; Y548-P639 WeakPolarHBondContact OH-CG 3.46Å
549	G	95.3	Very high	92.6	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.8	17.6	179.5	0	0	0	0	0	114.7	P525 S526 P545 T546	P525-G549 CarbonylContact C-O 3.49Å; P525-G549 VanDerWaalsContact CA-O 3.27Å; P525-G549 WeakPolarHBondContact CA-O 3.29Å; P525-G549 WeakPolarHBondContact CB-O 3.4Å; S526-G549 PolarHBondContact N-O 3.04Å; P545-G549 PolarHBondContact O-N 3.24Å; T546-G549 PolarHBondContact O-N 3.24Å
550	I	97.8	Very high	92.8	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	106.3	172.5	-50.2	-60.3	0	0	0	108.4	T520 F534 M538 P545 T546 I552 T589 L592	T520-I550 HydrophobicContact CG2-CD1 4.28Å; F534-I550 HydrophobicContact CE1-CG2 4.21Å; F534-I550 HydrophobicContact CZ-CD1 4.26Å; M538-I550 HydrophobicContact CB-CG2 4.02Å; M538-I550 HydrophobicContact CE-CD1 3.99Å; M538-I550 HydrophobicContact CE-CG1 4.02Å; M538-I550 HydrophobicContact CG-CG2 4.2Å; P545-I550 CarbonylContact C-O 3.59Å; P545-I550 HydrophobicContact CB-CB 3.97Å; P545-I550 HydrophobicContact CB-CG2 4.26Å; P545-I550 WeakPolarHBondContact CB-O 3.37Å; P545-I550 WeakPolarHBondContact O-CA 3.2Å; P545-I550 WeakPolarHBondContact O-CB 3.4Å; P545-I550 PolarHBondContact O-N 3.27Å; P545-I550 VanDerWaalsContact O-O 3.11Å; T546-I550 WeakPolarHBondContact CA-O 3.24Å; T546-I550 PolarHBondContact N-O 3.47Å; I550-I552 HydrophobicContact CG2-CG1 4.29Å; I550-T589 HydrophobicContact CD1-CG2 4.39Å; I550-L592 HydrophobicContact CD1-CD1 4.24Å; I550-L592 HydrophobicContact CG1-CD1 3.62Å
551	Y	98.3	Very high	93.2	Very high	7 Å²	7	39.2 Å²	39.2	3%	0.027	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	123.4	179.9	-54.9	-96.2	0	0	0	109.1	L502 P525 S526 I527 S528 T546 F570 Q585	L502-Y551 HydrophobicContact CD1-CD2 4.34Å; L502-Y551 HydrophobicContact CD1-CE2 4.18Å; P525-Y551 HydrophobicContact CB-CE2 4.44Å; S526-Y551 PolarHBondContact O-N 3.25Å; I527-Y551 CarbonylContact C-O 3.58Å; I527-Y551 VanDerWaalsContact CA-O 3.32Å; I527-Y551 WeakPolarHBondContact CA-O 3.45Å; I527-Y551 HydrophobicContact CG1-CD2 4.13Å; I527-Y551 HydrophobicContact CG1-CG 4.28Å; S528-Y551 PolarHBondContact N-O 2.87Å; T546-Y551 HydrophobicContact CG2-CD1 3.82Å; T546-Y551 HydrophobicContact CG2-CE1 3.65Å; Y551-F570 HydrophobicContact CD1-CB 4.29Å; Y551-F570 HydrophobicContact CD1-CD1 4.08Å; Y551-F570 HydrophobicContact CD1-CG 4.11Å; Y551-Q585 PolarHBondContact OH-NE2 3.38Å; Y551-Q585 PolarHBondContact OH-OE1 3.17Å; Y551-Q585 VanDerWaalsContact OH-OE1 3.12Å
552	I	98.1	Very high	93.8	Very high	22 Å²	22	43.5 Å²	43.5	11%	0.113	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	109.3	-177.7	-53	-177.9	0	0	0	108.2	N530 G535 M538 E539 P545 I550	N530-I552 HydrophobicContact CB-CG2 4.15Å; G535-I552 WeakPolarHBondContact O-CD1 3.44Å; M538-I552 HydrophobicContact CB-CD1 4.48Å; E539-I552 HydrophobicContact CB-CD1 3.6Å; E539-I552 HydrophobicContact CG-CD1 4.2Å; P545-I552 HydrophobicContact CB-CD1 4.17Å; P545-I552 HydrophobicContact CG-CD1 4.1Å; I550-I552 HydrophobicContact CG2-CG1 4.29Å
553	L	98.1	Very high	94.3	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	129.6	175.7	176.3	65.8	0	0	0	109.7	P506 I527 S528 T529 N530 R555 S563 Q566 L567	P506-L553 HydrophobicContact CB-CD2 3.81Å; I527-L553 HydrophobicContact CG2-CB 4.47Å; S528-L553 WeakPolarHBondContact O-CB 3.3Å; S528-L553 PolarHBondContact O-N 2.94Å; T529-L553 VanDerWaalsContact CA-O 3.25Å; T529-L553 WeakPolarHBondContact CA-O 3.49Å; T529-L553 HydrophobicContact CG2-CB 4.2Å; T529-L553 HydrophobicContact CG2-CD2 4.34Å; N530-L553 PolarHBondContact N-O 3.03Å; N530-L553 VanDerWaalsContact N-O 3.09Å; N530-L553 PolarHBondContact OD1-O 3.28Å; L553-R555 HydrophobicContact CD2-CG 3.75Å; L553-R555 HydrophobicContact CG-CG 3.89Å; L553-R555 PolarHBondContact O-N 3.02Å; L553-S563 VanDerWaalsContact CD1-O 3.28Å; L553-S563 WeakPolarHBondContact CD1-O 3.36Å; L553-Q566 HydrophobicContact CD1-CB 3.73Å; L553-Q566 HydrophobicContact CD1-CG 3.79Å; L553-L567 HydrophobicContact CD1-CB 4.22Å; L553-L567 HydrophobicContact CD2-CB 4.26Å
554	D	97.5	Very high	95	Very high	30 Å²	30	41.7 Å²	41.7	16%	0.16	21%	0.214	C	C	.	.			trans	-81.1	102.9	174.1	-174.1	0.5	0	0	0	109.6	N530 R556 Y557 K558 S563	N530-D554 PolarHBondContact ND2-OD1 3.34Å; D554-R556 PolarHBondContact OD1-N 3.28Å; D554-Y557 PolarHBondContact OD1-N 3.24Å; D554-K558 HydrophobicContact CB-CD 4.03Å; D554-K558 HydrophobicContact CB-CG 4.34Å; D554-S563 PolarHBondContact O-OG 3.28Å; D554-S563 VanDerWaalsContact O-OG 3.14Å
555	R	95.9	Very high	95.5	Very high	31 Å²	31	43.3 Å²	43.3	12%	0.117	22%	0.223	C	C	.	.			trans	-108.6	-2.1	173.5	-70.8	-160.1	65.8	167.2	-2.3	112.6	P506 T529 N530 L531 L553	P506-R555 WeakPolarHBondContact O-CD 3.36Å; P506-R555 PolarHBondContact O-NH1 3.08Å; T529-R555 HydrophobicContact CG2-CG 3.99Å; N530-R555 PolarHBondContact OD1-N 3.47Å; L531-R555 HydrophobicContact CD1-CB 3.73Å; L531-R555 WeakPolarHBondContact CD1-O 3.42Å; L531-R555 HydrophobicContact CG-CB 4.21Å; L553-R555 HydrophobicContact CD2-CG 3.75Å; L553-R555 HydrophobicContact CG-CG 3.89Å; L553-R555 PolarHBondContact O-N 3.02Å
556	R	94.4	Very high	95.9	Very high	66 Å²	66	44.2 Å²	44.2	25%	0.249	23%	0.226	C	C	.	.	S	Bend	trans	-94.2	-40.9	-176.4	-172.2	171	179.3	176.7	-1.3	112.3	N530 L531 D554	N530-R556 PolarHBondContact OD1-N 3.41Å; N530-R556 VanDerWaalsContact OD1-N 3.16Å; L531-R556 HydrophobicContact CD2-CB 3.71Å; L531-R556 HydrophobicContact CD2-CG 3.85Å; L531-R556 HydrophobicContact CG-CB 4.14Å; D554-R556 PolarHBondContact OD1-N 3.28Å
557	Y	94.9	Very high	96.3	Very high	164 Å²	164	41.5 Å²	41.5	64%	0.643	21%	0.209	S	C	*	.	S	Bend	trans	-112.7	4.5	-172.2	-52.1	-65.5	0	0	0	113.5	D554	D554-Y557 PolarHBondContact OD1-N 3.24Å
558	K	94.5	Very high	96.7	Very high	81 Å²	81	41.2 Å²	41.2	35%	0.352	21%	0.206	S	C	.	.	S	Bend	trans	-124.2	154.4	-178.7	-71.6	-173.9	-169.6	172.4	0	112.6	D554 E562	D554-K558 HydrophobicContact CB-CD 4.03Å; D554-K558 HydrophobicContact CB-CG 4.34Å; K558-E562 HydrophobicContact CB-CB 4.06Å; K558-E562 WeakPolarHBondContact CB-OE2 2.97Å; K558-E562 HydrophobicContact CD-CB 4.22Å; K558-E562 HydrophobicContact CG-CB 4.5Å
559	G	94.6	Very high	97	Very high	38 Å²	38	43.7 Å²	43.7	39%	0.392	22%	0.223	S	C	.	.			trans	-66.2	164.7	172.1	0	0	0	0	0	112.6	D561 E562 S563	G559-D561 VanDerWaalsContact C-N 3.34Å; G559-D561 PolarHBondContact O-N 2.82Å; G559-E562 PolarHBondContact N-OE2 2.71Å; G559-E562 VanDerWaalsContact N-OE2 3.17Å; G559-E562 PolarHBondContact O-N 2.84Å; G559-S563 WeakPolarHBondContact O-CB 3.38Å; G559-S563 PolarHBondContact O-N 3.24Å; G559-S563 PolarHBondContact O-OG 3.44Å
560	V	94.6	Very high	97.2	Very high	99 Å²	99	45 Å²	45	60%	0.6	23%	0.229	S	C	*	.	H	α-helix	trans	-59.7	-43.7	178.5	178	0	0	0	0	111.5	I341 S563 C564	I341-V560 HydrophobicContact CD1-CG1 4.23Å; I341-V560 HydrophobicContact CG1-CG1 4.5Å; V560-S563 WeakPolarHBondContact O-CB 3.43Å; V560-S563 PolarHBondContact O-N 3.44Å; V560-C564 PolarHBondContact O-N 3.17Å; V560-C564 PolarHBondContact O-SG 3.25Å; V560-C564 VanDerWaalsContact O-SG 3.36Å
561	D	97	Very high	97.2	Very high	89 Å²	89	45 Å²	45	48%	0.476	23%	0.229	S	C	.	.	H	α-helix	trans	-65.1	-41.7	179.8	-173.1	66.1	0	0	0	112.6	R348 G559 S563 C564 N565	R348-D561 IonicContact CZ-OD1 3.71Å; R348-D561 PolarHBondContact NH1-O 3.49Å; R348-D561 IonicContact NH1-OD1 3.75Å; R348-D561 PolarHBondContact NH1-OD1 2.65Å; R348-D561 IonicContact NH1-OD2 3.01Å; R348-D561 IonicContact NH2-OD1 2.72Å; R348-D561 PolarHBondContact NH2-OD1 2.97Å; G559-D561 VanDerWaalsContact C-N 3.34Å; G559-D561 PolarHBondContact O-N 2.82Å; D561-S563 VanDerWaalsContact C-N 3.33Å; D561-S563 PolarHBondContact O-N 3.48Å; D561-C564 WeakPolarHBondContact O-CB 3.34Å; D561-C564 PolarHBondContact O-N 2.82Å; D561-N565 VanDerWaalsContact O-CG 3.31Å; D561-N565 PolarHBondContact O-N 3.05Å; D561-N565 PolarHBondContact O-ND2 2.94Å; D561-N565 VanDerWaalsContact O-ND2 3.16Å; D561-N565 PolarHBondContact OD2-ND2 3.4Å
562	E	97.9	Very high	97.2	Very high	110 Å²	110	46.2 Å²	46.2	51%	0.514	23%	0.234	S	C	.	.	H	α-helix	trans	-64.4	-39.1	176	-65.2	178.9	154.3	0	0	111.6	K558 G559 N565 Q566	K558-E562 HydrophobicContact CB-CB 4.06Å; K558-E562 WeakPolarHBondContact CB-OE2 2.97Å; K558-E562 HydrophobicContact CD-CB 4.22Å; K558-E562 HydrophobicContact CG-CB 4.5Å; G559-E562 PolarHBondContact N-OE2 2.71Å; G559-E562 VanDerWaalsContact N-OE2 3.17Å; G559-E562 PolarHBondContact O-N 2.84Å; E562-N565 PolarHBondContact O-N 2.74Å; E562-Q566 WeakPolarHBondContact O-CB 3.37Å; E562-Q566 PolarHBondContact O-N 2.93Å
563	S	97.7	Very high	97.2	Very high	3 Å²	3	50 Å²	50	2%	0.021	25%	0.252	C	S	.	.	H	α-helix	trans	-61.3	-46.1	172.9	-58.6	0	0	0	0	110.9	L553 D554 G559 V560 D561 N565 Q566 L567	L553-S563 VanDerWaalsContact CD1-O 3.28Å; L553-S563 WeakPolarHBondContact CD1-O 3.36Å; D554-S563 PolarHBondContact O-OG 3.28Å; D554-S563 VanDerWaalsContact O-OG 3.14Å; G559-S563 WeakPolarHBondContact O-CB 3.38Å; G559-S563 PolarHBondContact O-N 3.24Å; G559-S563 PolarHBondContact O-OG 3.44Å; V560-S563 WeakPolarHBondContact O-CB 3.43Å; V560-S563 PolarHBondContact O-N 3.44Å; D561-S563 VanDerWaalsContact C-N 3.33Å; D561-S563 PolarHBondContact O-N 3.48Å; S563-N565 VanDerWaalsContact C-N 3.35Å; S563-N565 PolarHBondContact O-N 2.97Å; S563-Q566 PolarHBondContact O-N 3.34Å; S563-L567 WeakPolarHBondContact O-CB 3.29Å; S563-L567 PolarHBondContact O-N 3.22Å
564	C	98.1	Very high	97.2	Very high	3 Å²	3	50.2 Å²	50.2	2%	0.02	25%	0.252	C	S	.	.	H	α-helix	trans	-59.6	-44.3	174.5	-71.4	0	0	0	0	111.7	E344 V560 D561 L567 T568	E344-C564 HydrophobicContact CG-CB 4.42Å; V560-C564 PolarHBondContact O-N 3.17Å; V560-C564 PolarHBondContact O-SG 3.25Å; V560-C564 VanDerWaalsContact O-SG 3.36Å; D561-C564 WeakPolarHBondContact O-CB 3.34Å; D561-C564 PolarHBondContact O-N 2.82Å; C564-L567 PolarHBondContact O-N 3.38Å; C564-T568 WeakPolarHBondContact O-CB 3.24Å; C564-T568 PolarHBondContact O-N 3.46Å; C564-T568 PolarHBondContact O-OG1 2.92Å
565	N	98.4	Very high	97.2	Very high	77 Å²	77	49 Å²	49	41%	0.412	25%	0.246	S	C	.	.	H	α-helix	trans	-63.6	-42.8	177.9	-71.7	-34.6	0	0	0	112.4	R348 D561 E562 S563 T568 S569	R348-N565 VanDerWaalsContact NH1-CG 3.3Å; R348-N565 PolarHBondContact NH1-OD1 3.36Å; D561-N565 VanDerWaalsContact O-CG 3.31Å; D561-N565 PolarHBondContact O-N 3.05Å; D561-N565 PolarHBondContact O-ND2 2.94Å; D561-N565 VanDerWaalsContact O-ND2 3.16Å; D561-N565 PolarHBondContact OD2-ND2 3.4Å; E562-N565 PolarHBondContact O-N 2.74Å; S563-N565 VanDerWaalsContact C-N 3.35Å; S563-N565 PolarHBondContact O-N 2.97Å; N565-T568 PolarHBondContact O-N 2.93Å; N565-S569 WeakPolarHBondContact O-CB 3.24Å; N565-S569 PolarHBondContact O-N 3.13Å
566	Q	98.5	Very high	97.2	Very high	39 Å²	39	54.3 Å²	54.3	18%	0.182	27%	0.27	C	S	.	.	H	α-helix	trans	-63.9	-44.8	176.2	-177.4	175.7	6.6	0	0	111.2	L553 E562 S563 T568 S569 F570	L553-Q566 HydrophobicContact CD1-CB 3.73Å; L553-Q566 HydrophobicContact CD1-CG 3.79Å; E562-Q566 WeakPolarHBondContact O-CB 3.37Å; E562-Q566 PolarHBondContact O-N 2.93Å; S563-Q566 PolarHBondContact O-N 3.34Å; Q566-T568 PolarHBondContact O-N 2.89Å; Q566-S569 WeakPolarHBondContact O-CB 3.41Å; Q566-S569 PolarHBondContact O-N 3.45Å; Q566-S569 VanDerWaalsContact O-N 3.16Å; Q566-F570 HydrophobicContact CG-CD2 4.41Å; Q566-F570 HydrophobicContact CG-CE1 4.34Å; Q566-F570 HydrophobicContact CG-CE2 3.86Å; Q566-F570 HydrophobicContact CG-CZ 3.83Å; Q566-F570 PolarHBondContact O-N 3.39Å
567	L	98.7	Very high	97.3	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-60.1	-47.3	175.6	-179.5	58	0	0	0	111.2	I341 F342 A345 V504 P506 I527 L553 S563 C564 S569 F570 L571	I341-L567 HydrophobicContact CG2-CD2 3.75Å; F342-L567 HydrophobicContact CD2-CD2 4.47Å; A345-L567 HydrophobicContact CB-CB 4.03Å; A345-L567 HydrophobicContact CB-CD2 3.58Å; A345-L567 HydrophobicContact CB-CG 3.68Å; V504-L567 HydrophobicContact CG1-CD1 4.01Å; V504-L567 HydrophobicContact CG1-CD2 4.49Å; P506-L567 HydrophobicContact CB-CD2 4.07Å; P506-L567 HydrophobicContact CG-CD2 4.16Å; I527-L567 HydrophobicContact CD1-CD1 3.6Å; I527-L567 HydrophobicContact CG2-CD1 3.88Å; L553-L567 HydrophobicContact CD1-CB 4.22Å; L553-L567 HydrophobicContact CD2-CB 4.26Å; S563-L567 WeakPolarHBondContact O-CB 3.29Å; S563-L567 PolarHBondContact O-N 3.22Å; C564-L567 PolarHBondContact O-N 3.38Å; L567-S569 VanDerWaalsContact C-N 3.27Å; L567-S569 PolarHBondContact O-N 3.46Å; L567-F570 PolarHBondContact O-N 3.13Å; L567-L571 HydrophobicContact CD1-CD1 4.49Å; L567-L571 HydrophobicContact CD1-CG 4.33Å; L567-L571 HydrophobicContact CG-CD1 4.25Å; L567-L571 VanDerWaalsContact O-CG 3.31Å; L567-L571 WeakPolarHBondContact O-CG 3.46Å; L567-L571 PolarHBondContact O-N 2.98Å
568	T	98.8	Very high	97.4	Very high	7 Å²	7	47.8 Å²	47.8	4%	0.043	25%	0.254	C	S	.	.	H	α-helix	trans	-57.2	-41	174.9	-63.8	0	0	0	0	111.8	A345 R348 L352 C564 N565 Q566 L571 F572	A345-T568 WeakPolarHBondContact CA-OG1 2.89Å; A345-T568 PolarHBondContact O-OG1 2.79Å; R348-T568 HydrophobicContact CB-CG2 3.76Å; R348-T568 WeakPolarHBondContact CB-OG1 3.26Å; L352-T568 HydrophobicContact CD1-CG2 3.55Å; C564-T568 WeakPolarHBondContact O-CB 3.24Å; C564-T568 PolarHBondContact O-N 3.46Å; C564-T568 PolarHBondContact O-OG1 2.92Å; N565-T568 PolarHBondContact O-N 2.93Å; Q566-T568 PolarHBondContact O-N 2.89Å; T568-L571 PolarHBondContact O-N 2.65Å; T568-F572 VanDerWaalsContact O-CB 3.29Å; T568-F572 WeakPolarHBondContact O-CB 3.5Å; T568-F572 PolarHBondContact O-N 2.82Å
569	S	98.4	Very high	97.4	Very high	52 Å²	52	50.4 Å²	50.4	36%	0.364	26%	0.262	S	S	.	.	H	α-helix	trans	-61.3	-46.6	176.7	-176.9	0	0	0	0	111.9	N565 Q566 L567 L571 F572 Q573	N565-S569 WeakPolarHBondContact O-CB 3.24Å; N565-S569 PolarHBondContact O-N 3.13Å; Q566-S569 WeakPolarHBondContact O-CB 3.41Å; Q566-S569 PolarHBondContact O-N 3.45Å; Q566-S569 VanDerWaalsContact O-N 3.16Å; L567-S569 VanDerWaalsContact C-N 3.27Å; L567-S569 PolarHBondContact O-N 3.46Å; S569-L571 PolarHBondContact O-N 3.42Å; S569-F572 PolarHBondContact O-N 3Å; S569-Q573 WeakPolarHBondContact O-CB 3.32Å; S569-Q573 VanDerWaalsContact O-CG 3.29Å; S569-Q573 WeakPolarHBondContact O-CG 3.35Å; S569-Q573 PolarHBondContact O-N 3.44Å
570	F	98.5	Very high	97.3	Very high	26 Å²	26	54.8 Å²	54.8	11%	0.114	27%	0.267	C	S	.	.	H	α-helix	trans	-59.1	-47.6	175.7	-65.8	-27.4	0	0	0	111.9	I527 Y551 Q566 L567 F572 Q573 F574	I527-F570 HydrophobicContact CD1-CB 3.99Å; I527-F570 HydrophobicContact CG2-CD2 4.36Å; Y551-F570 HydrophobicContact CD1-CB 4.29Å; Y551-F570 HydrophobicContact CD1-CD1 4.08Å; Y551-F570 HydrophobicContact CD1-CG 4.11Å; Q566-F570 HydrophobicContact CG-CD2 4.41Å; Q566-F570 HydrophobicContact CG-CE1 4.34Å; Q566-F570 HydrophobicContact CG-CE2 3.86Å; Q566-F570 HydrophobicContact CG-CZ 3.83Å; Q566-F570 PolarHBondContact O-N 3.39Å; L567-F570 PolarHBondContact O-N 3.13Å; F570-F572 VanDerWaalsContact C-N 3.34Å; F570-F572 PolarHBondContact O-N 2.7Å; F570-Q573 PolarHBondContact O-N 2.65Å; F570-F574 WeakPolarHBondContact O-CB 3.44Å; F570-F574 PolarHBondContact O-N 2.89Å
571	L	98.7	Very high	97.3	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-61.9	-42.1	178.7	-63.7	177.4	0	0	0	112	L326 F342 A345 L346 L349 L502 V504 I527 L567 T568 S569 F574 C575	L326-L571 HydrophobicContact CD2-CD2 3.73Å; F342-L571 HydrophobicContact CE2-CD1 4.25Å; A345-L571 HydrophobicContact CB-CD1 4.33Å; L346-L571 HydrophobicContact CD2-CD1 4.41Å; L349-L571 HydrophobicContact CD1-CB 4.2Å; L349-L571 HydrophobicContact CD2-CB 3.86Å; L349-L571 HydrophobicContact CD2-CD1 4.22Å; L502-L571 HydrophobicContact CD2-CD2 3.75Å; V504-L571 HydrophobicContact CG2-CD2 3.98Å; I527-L571 HydrophobicContact CD1-CD2 3.76Å; I527-L571 HydrophobicContact CD1-CG 4.39Å; L567-L571 HydrophobicContact CD1-CD1 4.49Å; L567-L571 HydrophobicContact CD1-CG 4.33Å; L567-L571 HydrophobicContact CG-CD1 4.25Å; L567-L571 VanDerWaalsContact O-CG 3.31Å; L567-L571 WeakPolarHBondContact O-CG 3.46Å; L567-L571 PolarHBondContact O-N 2.98Å; T568-L571 PolarHBondContact O-N 2.65Å; S569-L571 PolarHBondContact O-N 3.42Å; L571-F574 PolarHBondContact O-N 3.27Å; L571-C575 PolarHBondContact O-N 2.74Å; L571-C575 PolarHBondContact O-SG 3.3Å
572	F	98.5	Very high	97.2	Very high	32 Å²	32	52.1 Å²	52.1	14%	0.14	24%	0.244	C	C	.	.	H	α-helix	trans	-67.9	-41.4	179.5	-175.5	-119.4	0	0	0	112.1	L349 L352 L353 T568 S569 F570 C575 K576	L349-F572 HydrophobicContact CD1-CB 3.92Å; L349-F572 HydrophobicContact CD1-CD2 4.16Å; L352-F572 HydrophobicContact CB-CD2 4.09Å; L352-F572 HydrophobicContact CB-CE2 4.09Å; L352-F572 HydrophobicContact CD1-CB 4.36Å; L352-F572 HydrophobicContact CD1-CD2 4.42Å; L352-F572 HydrophobicContact CD1-CG 4.21Å; L353-F572 HydrophobicContact CD2-CD2 4.18Å; L353-F572 HydrophobicContact CD2-CE2 4.2Å; T568-F572 VanDerWaalsContact O-CB 3.29Å; T568-F572 WeakPolarHBondContact O-CB 3.5Å; T568-F572 PolarHBondContact O-N 2.82Å; S569-F572 PolarHBondContact O-N 3Å; F570-F572 VanDerWaalsContact C-N 3.34Å; F570-F572 PolarHBondContact O-N 2.7Å; F572-C575 PolarHBondContact O-N 2.96Å; F572-K576 HydrophobicContact CE1-CD 4.39Å; F572-K576 VanDerWaalsContact CE1-NZ 3.34Å; F572-K576 PolarHBondContact O-N 2.97Å
573	Q	97.6	Very high	97	Very high	102 Å²	102	49.9 Å²	49.9	48%	0.477	24%	0.235	S	C	.	.	H	α-helix	trans	-62.1	-43	173.7	-73.5	175	-3.7	0	0	111.6	S569 F570 C575 K576	S569-Q573 WeakPolarHBondContact O-CB 3.32Å; S569-Q573 VanDerWaalsContact O-CG 3.29Å; S569-Q573 WeakPolarHBondContact O-CG 3.35Å; S569-Q573 PolarHBondContact O-N 3.44Å; F570-Q573 PolarHBondContact O-N 2.65Å; Q573-C575 VanDerWaalsContact C-N 3.32Å; Q573-C575 PolarHBondContact O-N 3.37Å; Q573-K576 WeakPolarHBondContact O-CB 3.48Å; Q573-K576 PolarHBondContact O-N 2.77Å; Q573-K576 VanDerWaalsContact O-N 3.12Å
574	F	98	Very high	96.7	Very high	4 Å²	4	51.1 Å²	51.1	2%	0.018	24%	0.241	C	C	.	.	H	α-helix	trans	-61.3	-39.8	175.8	-172.2	-95.9	0	0	0	112.2	L324 H501 L502 P525 F570 L571 K576 Q577 R582	L324-F574 HydrophobicContact CD1-CD1 4.07Å; L324-F574 HydrophobicContact CD1-CE1 4.15Å; H501-F574 HydrophobicContact CB-CE1 4.03Å; H501-F574 HydrophobicContact CB-CZ 4.12Å; H501-F574 WeakPolarHBondContact O-CZ 3.46Å; L502-F574 HydrophobicContact CB-CD1 4.39Å; L502-F574 HydrophobicContact CB-CE1 3.95Å; L502-F574 HydrophobicContact CB-CZ 4.03Å; L502-F574 HydrophobicContact CD1-CD2 4.45Å; L502-F574 HydrophobicContact CD1-CE2 4.36Å; L502-F574 HydrophobicContact CD2-CB 4.47Å; L502-F574 HydrophobicContact CD2-CD1 4.08Å; L502-F574 HydrophobicContact CD2-CD2 4.5Å; L502-F574 HydrophobicContact CD2-CE1 4.47Å; L502-F574 HydrophobicContact CD2-CG 4.1Å; P525-F574 HydrophobicContact CB-CE2 4.49Å; F570-F574 WeakPolarHBondContact O-CB 3.44Å; F570-F574 PolarHBondContact O-N 2.89Å; L571-F574 PolarHBondContact O-N 3.27Å; F574-K576 PolarHBondContact O-N 3.28Å; F574-Q577 WeakPolarHBondContact O-CB 3.21Å; F574-Q577 PolarHBondContact O-N 3.31Å; F574-Q577 VanDerWaalsContact O-N 3.16Å; F574-R582 HydrophobicContact CZ-CG 4.31Å
575	C	97.8	Very high	96.5	Very high	5 Å²	5	51.6 Å²	51.6	3%	0.034	24%	0.243	C	C	.	.	H	α-helix	trans	-62.9	-25.4	176.3	-68.2	0	0	0	0	113.5	L324 L353 V360 V362 L571 F572 Q573 Q577	L324-C575 HydrophobicContact CD1-CB 4.35Å; L353-C575 HydrophobicContact CD2-CB 4.23Å; V360-C575 HydrophobicContact CG1-CB 4.34Å; V362-C575 VanDerWaalsContact CG2-SG 3.58Å; L571-C575 PolarHBondContact O-N 2.74Å; L571-C575 PolarHBondContact O-SG 3.3Å; F572-C575 PolarHBondContact O-N 2.96Å; Q573-C575 VanDerWaalsContact C-N 3.32Å; Q573-C575 PolarHBondContact O-N 3.37Å; C575-Q577 VanDerWaalsContact C-N 3.32Å
576	K	96.4	Very high	96.2	Very high	143 Å²	143	48.7 Å²	48.7	62%	0.622	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-12.2	178	-71.3	-178.9	173.2	-175.2	0	113.9	F572 Q573 F574	F572-K576 HydrophobicContact CE1-CD 4.39Å; F572-K576 VanDerWaalsContact CE1-NZ 3.34Å; F572-K576 PolarHBondContact O-N 2.97Å; Q573-K576 WeakPolarHBondContact O-CB 3.48Å; Q573-K576 PolarHBondContact O-N 2.77Å; Q573-K576 VanDerWaalsContact O-N 3.12Å; F574-K576 PolarHBondContact O-N 3.28Å
577	Q	96.3	Very high	95.8	Very high	37 Å²	37	47.2 Å²	47.2	17%	0.173	22%	0.219	C	C	.	.			trans	-67	147.4	-178	-66.2	-180	-13	0	0	111.8	F574 C575 Q581 R582	F574-Q577 WeakPolarHBondContact O-CB 3.21Å; F574-Q577 PolarHBondContact O-N 3.31Å; F574-Q577 VanDerWaalsContact O-N 3.16Å; C575-Q577 VanDerWaalsContact C-N 3.32Å; Q577-Q581 VanDerWaalsContact CA-OE1 3.28Å; Q577-Q581 HydrophobicContact CB-CB 4.16Å; Q577-R582 HydrophobicContact CB-CG 4.04Å; Q577-R582 PolarHBondContact O-NH1 2.85Å; Q577-R582 VanDerWaalsContact OE1-CG 3.3Å
578	S	96.1	Very high	95.4	Very high	55 Å²	55	48.6 Å²	48.6	39%	0.385	23%	0.225	S	C	.	.			trans	-77.2	168.2	169.5	79.7	0	0	0	0	111.7	R580 Q581 R582	S578-R580 VanDerWaalsContact C-N 3.28Å; S578-R580 PolarHBondContact O-N 3.24Å; S578-R580 PolarHBondContact OG-N 2.9Å; S578-Q581 PolarHBondContact O-N 3.39Å; S578-Q581 WeakPolarHBondContact OG-CG 3.21Å; S578-Q581 PolarHBondContact OG-N 3.05Å; S578-Q581 VanDerWaalsContact OG-N 3.15Å; S578-R582 PolarHBondContact O-N 3.42Å
579	R	94.1	Very high	95.2	Very high	136 Å²	136	48.3 Å²	48.3	51%	0.513	22%	0.223	S	C	.	.	H	α-helix	trans	-59.6	-40.2	173.7	-175.7	179.3	-75.4	-171.9	-4.6	111.3	D321 R582 I583	D321-R579 IonicContact OD1-NH2 3.78Å; D321-R579 PolarHBondContact OD1-NH2 3.43Å; R579-R582 PolarHBondContact O-N 3.31Å; R579-I583 HydrophobicContact CG-CD1 4.21Å; R579-I583 WeakPolarHBondContact O-CG1 3.23Å; R579-I583 PolarHBondContact O-N 3.43Å; R579-I583 VanDerWaalsContact O-N 3.11Å
580	R	93	Very high	94.7	Very high	130 Å²	130	47.3 Å²	47.3	49%	0.491	21%	0.213	S	C	.	.	H	α-helix	trans	-64	-47.6	177.4	-176	175.4	177.6	174.6	-1.7	111.3	S578 R582 I583 I584 E666	S578-R580 VanDerWaalsContact C-N 3.28Å; S578-R580 PolarHBondContact O-N 3.24Å; S578-R580 PolarHBondContact OG-N 2.9Å; R580-R582 VanDerWaalsContact C-N 3.32Å; R580-R582 PolarHBondContact O-N 3.15Å; R580-I583 PolarHBondContact O-N 3.28Å; R580-I583 VanDerWaalsContact O-N 3.15Å; R580-I584 HydrophobicContact CG-CD1 4.06Å; R580-I584 WeakPolarHBondContact O-CG1 3.1Å; R580-I584 PolarHBondContact O-N 3.17Å; R580-E666 PolarHBondContact NH2-O 3.29Å
581	Q	94.3	Very high	94.2	Very high	107 Å²	107	47 Å²	47	50%	0.5	21%	0.211	S	C	.	.	H	α-helix	trans	-59.5	-41.1	177.3	-74.1	170.3	-26.2	0	0	112.3	Q577 S578 I584 Q585	Q577-Q581 VanDerWaalsContact CA-OE1 3.28Å; Q577-Q581 HydrophobicContact CB-CB 4.16Å; S578-Q581 PolarHBondContact O-N 3.39Å; S578-Q581 WeakPolarHBondContact OG-CG 3.21Å; S578-Q581 PolarHBondContact OG-N 3.05Å; S578-Q581 VanDerWaalsContact OG-N 3.15Å; Q581-I584 PolarHBondContact O-N 2.66Å; Q581-Q585 WeakPolarHBondContact O-CB 3.45Å; Q581-Q585 PolarHBondContact O-N 3.19Å
582	R	95.5	Very high	93.7	Very high	25 Å²	25	47 Å²	47	9%	0.094	21%	0.21	C	C	.	.	H	α-helix	trans	-64.5	-38.6	175.2	-76.6	-169.3	-65	-81.6	-1.3	113.3	F574 Q577 S578 R579 R580 Q585 R586	F574-R582 HydrophobicContact CZ-CG 4.31Å; Q577-R582 HydrophobicContact CB-CG 4.04Å; Q577-R582 PolarHBondContact O-NH1 2.85Å; Q577-R582 VanDerWaalsContact OE1-CG 3.3Å; S578-R582 PolarHBondContact O-N 3.42Å; R579-R582 PolarHBondContact O-N 3.31Å; R580-R582 VanDerWaalsContact C-N 3.32Å; R580-R582 PolarHBondContact O-N 3.15Å; R582-Q585 PolarHBondContact O-N 2.9Å; R582-R586 WeakPolarHBondContact O-CG 3.43Å; R582-R586 PolarHBondContact O-N 3.45Å
583	I	92.8	Very high	93.2	Very high	64 Å²	64	45.6 Å²	45.6	33%	0.328	21%	0.205	S	C	.	.	H	α-helix	trans	-62.8	-49.2	176	-69.3	160.3	0	0	0	109.8	R579 R580 Q585 R586 N587	R579-I583 HydrophobicContact CG-CD1 4.21Å; R579-I583 WeakPolarHBondContact O-CG1 3.23Å; R579-I583 PolarHBondContact O-N 3.43Å; R579-I583 VanDerWaalsContact O-N 3.11Å; R580-I583 PolarHBondContact O-N 3.28Å; R580-I583 VanDerWaalsContact O-N 3.15Å; I583-Q585 VanDerWaalsContact C-N 3.33Å; I583-Q585 PolarHBondContact O-N 2.89Å; I583-R586 PolarHBondContact O-N 2.6Å; I583-N587 PolarHBondContact O-N 2.78Å; I583-N587 PolarHBondContact O-OD1 3.04Å
584	I	91.7	Very high	92.5	Very high	28 Å²	28	41.9 Å²	41.9	14%	0.144	19%	0.188	C	C	.	.	H	α-helix	trans	-59	-45.6	178.1	-65.4	166.8	0	0	0	110.6	R580 Q581 R586 N587 R588 Y668	R580-I584 HydrophobicContact CG-CD1 4.06Å; R580-I584 WeakPolarHBondContact O-CG1 3.1Å; R580-I584 PolarHBondContact O-N 3.17Å; Q581-I584 PolarHBondContact O-N 2.66Å; I584-R586 PolarHBondContact O-N 2.95Å; I584-N587 PolarHBondContact O-N 3.09Å; I584-R588 WeakPolarHBondContact O-CG 3.46Å; I584-R588 PolarHBondContact O-N 2.81Å; I584-Y668 HydrophobicContact CG1-CD1 4.45Å; I584-Y668 HydrophobicContact CG1-CE1 4.32Å; I584-Y668 HydrophobicContact CG1-CE2 4.39Å; I584-Y668 HydrophobicContact CG2-CE2 4.11Å
585	Q	93.6	Very high	92	Very high	14 Å²	14	41.8 Å²	41.8	7%	0.065	19%	0.188	C	C	.	.	H	α-helix	trans	-62.1	-42.9	178.2	-173.2	169.3	65	0	0	111.8	P525 T546 Y551 Q581 R582 I583 N587 R588 T589	P525-Q585 HydrophobicContact CG-CG 4.02Å; T546-Q585 PolarHBondContact O-NE2 3.27Å; Y551-Q585 PolarHBondContact OH-NE2 3.38Å; Y551-Q585 PolarHBondContact OH-OE1 3.17Å; Y551-Q585 VanDerWaalsContact OH-OE1 3.12Å; Q581-Q585 WeakPolarHBondContact O-CB 3.45Å; Q581-Q585 PolarHBondContact O-N 3.19Å; R582-Q585 PolarHBondContact O-N 2.9Å; I583-Q585 VanDerWaalsContact C-N 3.33Å; I583-Q585 PolarHBondContact O-N 2.89Å; Q585-N587 VanDerWaalsContact C-N 3.35Å; Q585-N587 PolarHBondContact O-N 3.12Å; Q585-R588 PolarHBondContact O-N 3.26Å; Q585-T589 PolarHBondContact O-N 3.36Å; Q585-T589 PolarHBondContact O-OG1 3.26Å
586	R	93.9	Very high	91.7	Very high	15 Å²	15	41.6 Å²	41.6	6%	0.057	19%	0.186	C	C	.	.	H	α-helix	trans	-59.7	-42.6	175.3	-77.7	-160.2	-61.7	-80.3	1.4	112.8	F293 Q294 G523 P525 R582 I583 I584 R588 T589 E590	F293-R586 HydrophobicContact CE2-CB 4.26Å; Q294-R586 VanDerWaalsContact OE1-CZ 3.3Å; G523-R586 WeakPolarHBondContact O-CA 3.41Å; G523-R586 WeakPolarHBondContact O-CB 3.44Å; G523-R586 WeakPolarHBondContact O-CG 3.26Å; P525-R586 HydrophobicContact CG-CG 4.46Å; R582-R586 WeakPolarHBondContact O-CG 3.43Å; R582-R586 PolarHBondContact O-N 3.45Å; I583-R586 PolarHBondContact O-N 2.6Å; I584-R586 PolarHBondContact O-N 2.95Å; R586-R588 VanDerWaalsContact C-N 3.35Å; R586-R588 PolarHBondContact O-N 3.04Å; R586-T589 PolarHBondContact O-N 3.15Å; R586-E590 PolarHBondContact O-N 3.11Å
587	N	90	Very high	91.4	Very high	8 Å²	8	35.5 Å²	35.5	4%	0.043	16%	0.161	C	C	.	.	H	α-helix	trans	-59.8	-46.2	175.7	-72.9	13.9	0	0	0	111.3	F293 Q294 I583 I584 Q585 T589 E590 R591 E670	F293-N587 WeakPolarHBondContact CZ-OD1 3.42Å; Q294-N587 PolarHBondContact NE2-OD1 3.35Å; I583-N587 PolarHBondContact O-N 2.78Å; I583-N587 PolarHBondContact O-OD1 3.04Å; I584-N587 PolarHBondContact O-N 3.09Å; Q585-N587 VanDerWaalsContact C-N 3.35Å; Q585-N587 PolarHBondContact O-N 3.12Å; N587-T589 PolarHBondContact O-N 2.86Å; N587-E590 PolarHBondContact O-N 3.47Å; N587-R591 WeakPolarHBondContact O-CG 3.46Å; N587-R591 PolarHBondContact O-N 3.33Å; N587-E670 WeakPolarHBondContact CB-OE1 3.24Å; N587-E670 PolarHBondContact ND2-OE1 3.05Å; N587-E670 PolarHBondContact ND2-OE2 2.8Å
588	R	90.1	Very high	91.1	Very high	30 Å²	30	33.8 Å²	33.8	11%	0.113	15%	0.153	C	C	.	.	H	α-helix	trans	-62.4	-42.3	175.2	-66.9	177.6	-172.6	162.6	3.9	112	A547 Y548 I584 Q585 R586 E590 R591 S641 E673	A547-R588 WeakPolarHBondContact O-CD 3.34Å; A547-R588 PolarHBondContact O-NH1 3.04Å; Y548-R588 HydrophobicContact CD1-CB 3.79Å; Y548-R588 WeakPolarHBondContact CD1-O 3.33Å; Y548-R588 HydrophobicContact CE1-CB 4.3Å; I584-R588 WeakPolarHBondContact O-CG 3.46Å; I584-R588 PolarHBondContact O-N 2.81Å; Q585-R588 PolarHBondContact O-N 3.26Å; R586-R588 VanDerWaalsContact C-N 3.35Å; R586-R588 PolarHBondContact O-N 3.04Å; R588-E590 VanDerWaalsContact C-N 3.31Å; R588-E590 PolarHBondContact O-N 2.92Å; R588-R591 WeakPolarHBondContact O-CB 3.47Å; R588-R591 PolarHBondContact O-N 3.39Å; R588-S641 PolarHBondContact NH2-OG 2.98Å; R588-E673 IonicContact NE-OE1 3.84Å
589	T	92.9	Very high	90.6	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-59	-43.9	177	-55.4	0	0	0	0	111.5	T520 Y548 I550 Q585 R586 N587 R591 L592	T520-T589 HydrophobicContact CG2-CG2 4.08Å; T520-T589 WeakPolarHBondContact CG2-O 3.39Å; Y548-T589 VanDerWaalsContact O-CA 3.26Å; Y548-T589 WeakPolarHBondContact O-CA 3.33Å; Y548-T589 WeakPolarHBondContact O-CB 3.21Å; Y548-T589 PolarHBondContact O-N 2.9Å; Y548-T589 PolarHBondContact O-OG1 3.19Å; I550-T589 HydrophobicContact CD1-CG2 4.39Å; Q585-T589 PolarHBondContact O-N 3.36Å; Q585-T589 PolarHBondContact O-OG1 3.26Å; R586-T589 PolarHBondContact O-N 3.15Å; N587-T589 PolarHBondContact O-N 2.86Å; T589-R591 VanDerWaalsContact C-N 3.32Å; T589-R591 PolarHBondContact O-N 3.27Å; T589-L592 WeakPolarHBondContact O-CB 3.49Å; T589-L592 PolarHBondContact O-N 3.32Å; T589-L592 VanDerWaalsContact O-N 3.13Å
590	E	89.8	Confident	90.2	Very high	32 Å²	32	32.7 Å²	32.7	15%	0.15	14%	0.14	C	C	.	.	H	α-helix	trans	-61.9	-38.5	179.6	-167.8	-84.9	169.2	0	0	111.9	F293 R586 N587 R588 L592 S593	F293-E590 HydrophobicContact CD1-CG 4.1Å; F293-E590 HydrophobicContact CE1-CB 4.2Å; F293-E590 HydrophobicContact CE1-CG 4.02Å; F293-E590 HydrophobicContact CE2-CB 4.25Å; F293-E590 HydrophobicContact CE2-CG 4.5Å; F293-E590 HydrophobicContact CG-CG 4.41Å; F293-E590 HydrophobicContact CZ-CB 3.95Å; F293-E590 HydrophobicContact CZ-CG 4.23Å; R586-E590 PolarHBondContact O-N 3.11Å; N587-E590 PolarHBondContact O-N 3.47Å; R588-E590 VanDerWaalsContact C-N 3.31Å; R588-E590 PolarHBondContact O-N 2.92Å; E590-L592 PolarHBondContact O-N 2.83Å; E590-S593 WeakPolarHBondContact O-CB 3.4Å; E590-S593 PolarHBondContact O-N 3.11Å; E590-S593 PolarHBondContact O-OG 3.21Å
591	R	86.5	Confident	90	Very high	19 Å²	19	26.5 Å²	26.5	7%	0.072	12%	0.117	C	C	.	.	H	α-helix	trans	-58.1	-23.8	175.7	-64.7	176.1	-159.4	160.5	8.2	114.3	N587 R588 T589 S593 Y668 E670 E673 D677	N587-R591 WeakPolarHBondContact O-CG 3.46Å; N587-R591 PolarHBondContact O-N 3.33Å; R588-R591 WeakPolarHBondContact O-CB 3.47Å; R588-R591 PolarHBondContact O-N 3.39Å; T589-R591 VanDerWaalsContact C-N 3.32Å; T589-R591 PolarHBondContact O-N 3.27Å; R591-S593 PolarHBondContact O-N 2.89Å; R591-Y668 PolarHBondContact NH2-OH 3.23Å; R591-E670 IonicContact NH2-OE1 2.88Å; R591-E673 IonicContact CZ-OE2 3.03Å; R591-E673 VanDerWaalsContact CZ-OE2 3.3Å; R591-E673 VanDerWaalsContact NH1-CD 3.27Å; R591-E673 IonicContact NH1-OE1 2.79Å; R591-E673 IonicContact NH1-OE2 3.13Å; R591-E673 PolarHBondContact NH1-OE2 3.41Å; R591-E673 IonicContact NH2-OE2 3.76Å; R591-E673 PolarHBondContact NH2-OE2 2.98Å; R591-D677 IonicContact NH1-OD2 2.7Å; R591-D677 PolarHBondContact NH1-OD2 3.29Å; R591-D677 VanDerWaalsContact NH1-OD2 3.15Å
592	L	88.9	Confident	89.7	Confident	0 Å²	0	21.5 Å²	21.5	0%	0	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-76.8	-10	176.6	-61.6	-178.8	0	0	0	112.8	T520 M538 I542 Y548 I550 T589 E590 D594 L595 Y636	T520-L592 HydrophobicContact CG2-CB 3.77Å; M538-L592 HydrophobicContact CE-CB 4.29Å; M538-L592 HydrophobicContact CE-CD1 3.95Å; I542-L592 HydrophobicContact CD1-CD1 3.6Å; I542-L592 HydrophobicContact CD1-CD2 3.83Å; I542-L592 HydrophobicContact CD1-CG 4.33Å; I542-L592 HydrophobicContact CG1-CD2 4.4Å; Y548-L592 VanDerWaalsContact CB-CD1 3.49Å; Y548-L592 HydrophobicContact CD1-CD1 4.31Å; Y548-L592 HydrophobicContact CD1-CD2 3.83Å; Y548-L592 HydrophobicContact CD1-CG 3.96Å; Y548-L592 HydrophobicContact CE1-CD2 4.33Å; Y548-L592 HydrophobicContact CG-CD1 4.04Å; Y548-L592 HydrophobicContact CG-CD2 4.05Å; Y548-L592 HydrophobicContact CG-CG 4.18Å; I550-L592 HydrophobicContact CD1-CD1 4.24Å; I550-L592 HydrophobicContact CG1-CD1 3.62Å; T589-L592 WeakPolarHBondContact O-CB 3.49Å; T589-L592 PolarHBondContact O-N 3.32Å; T589-L592 VanDerWaalsContact O-N 3.13Å; E590-L592 PolarHBondContact O-N 2.83Å; L592-D594 PolarHBondContact O-N 2.73Å; L592-L595 HydrophobicContact CD2-CD1 4.11Å; L592-L595 WeakPolarHBondContact O-CB 3.5Å; L592-L595 PolarHBondContact O-N 3.39Å; L592-L595 VanDerWaalsContact O-N 3.07Å; L592-Y636 HydrophobicContact CD2-CD1 4.2Å; L592-Y636 HydrophobicContact CD2-CD2 4.08Å; L592-Y636 HydrophobicContact CD2-CE1 4.41Å; L592-Y636 HydrophobicContact CD2-CE2 4.3Å; L592-Y636 HydrophobicContact CD2-CG 4.04Å
593	S	87.3	Confident	89.3	Confident	3 Å²	3	23.1 Å²	23.1	2%	0.021	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	-57.2	-34.4	-178.4	68.4	0	0	0	0	112.4	E590 R591 L595 L596 D597	E590-S593 WeakPolarHBondContact O-CB 3.4Å; E590-S593 PolarHBondContact O-N 3.11Å; E590-S593 PolarHBondContact O-OG 3.21Å; R591-S593 PolarHBondContact O-N 2.89Å; S593-L595 PolarHBondContact O-N 3.04Å; S593-L596 PolarHBondContact O-N 3.08Å; S593-D597 PolarHBondContact O-N 2.94Å
594	D	84.5	Confident	89.1	Confident	25 Å²	25	22.7 Å²	22.7	13%	0.134	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-62.2	-29.8	179.7	-72	-37.1	0	0	0	113.1	S11 L12 K286 L592 L596 D597	S11-D594 WeakPolarHBondContact CB-OD2 3.27Å; S11-D594 VanDerWaalsContact OG-CG 3.3Å; S11-D594 PolarHBondContact OG-OD2 3.06Å; L12-D594 HydrophobicContact CD1-CB 4.25Å; K286-D594 WeakPolarHBondContact CE-OD1 3.48Å; K286-D594 IonicContact NZ-OD1 3.99Å; K286-D594 PolarHBondContact NZ-OD1 3.03Å; K286-D594 IonicContact NZ-OD2 2.77Å; K286-D594 PolarHBondContact NZ-OD2 3.34Å; L592-D594 PolarHBondContact O-N 2.73Å; D594-L596 PolarHBondContact O-N 2.75Å; D594-D597 PolarHBondContact O-N 3.16Å
595	L	87.5	Confident	89.2	Confident	1 Å²	1	21.4 Å²	21.4	1%	0.005	9%	0.088	C	C	.	.	G	3₁₀ helix	trans	-69.2	-21.4	175	-68.6	178	0	0	0	112.8	I542 L592 S593 Y600 F634 Y636	I542-L595 HydrophobicContact CD1-CD1 4.43Å; I542-L595 HydrophobicContact CG1-CD1 4.23Å; L592-L595 HydrophobicContact CD2-CD1 4.11Å; L592-L595 WeakPolarHBondContact O-CB 3.5Å; L592-L595 PolarHBondContact O-N 3.39Å; L592-L595 VanDerWaalsContact O-N 3.07Å; S593-L595 PolarHBondContact O-N 3.04Å; L595-Y600 WeakPolarHBondContact O-CD1 3.44Å; L595-F634 HydrophobicContact CD2-CD1 4.16Å; L595-F634 HydrophobicContact CD2-CE1 3.82Å; L595-Y636 HydrophobicContact CD1-CD2 3.99Å; L595-Y636 HydrophobicContact CG-CD2 4.41Å
596	L	90.8	Very high	89.1	Confident	1 Å²	1	23 Å²	23	1%	0.005	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	-101.3	-0.4	-177.6	-57.2	173.3	0	0	0	112.2	G281 L282 A517 T520 V521 F534 F537 M538 S593 D594	G281-L596 CarbonylContact C-O 3.57Å; G281-L596 WeakPolarHBondContact CA-O 3.4Å; L282-L596 PolarHBondContact N-O 3.14Å; A517-L596 HydrophobicContact CB-CD1 4.16Å; T520-L596 HydrophobicContact CG2-CD1 3.84Å; V521-L596 HydrophobicContact CG2-CD1 4.42Å; F534-L596 HydrophobicContact CD2-CD2 4.39Å; F534-L596 HydrophobicContact CE2-CD1 3.97Å; F534-L596 HydrophobicContact CE2-CD2 4.14Å; F537-L596 HydrophobicContact CD1-CD2 4.17Å; F537-L596 HydrophobicContact CE1-CD2 3.89Å; M538-L596 HydrophobicContact CE-CD1 4.27Å; M538-L596 HydrophobicContact SD-CD2 4.46Å; S593-L596 PolarHBondContact O-N 3.08Å; D594-L596 PolarHBondContact O-N 2.75Å
597	D	90.3	Very high	88.9	Confident	15 Å²	15	22.7 Å²	22.7	8%	0.08	10%	0.097	C	C	.	.	B	Isolated β-bridge	trans	-77.4	144.2	-179.7	-168.2	-86.2	0	0	0	111.6	L282 V284 S593 D594 R599 Y600 L601	L282-D597 WeakPolarHBondContact O-CA 3.46Å; V284-D597 HydrophobicContact CB-CB 4.38Å; V284-D597 VanDerWaalsContact CB-OD2 3.26Å; V284-D597 WeakPolarHBondContact CB-OD2 3.28Å; V284-D597 HydrophobicContact CG2-CB 3.91Å; V284-D597 WeakPolarHBondContact CG2-OD2 3.43Å; V284-D597 PolarHBondContact N-OD2 3.44Å; S593-D597 PolarHBondContact O-N 2.94Å; D594-D597 PolarHBondContact O-N 3.16Å; D597-R599 PolarHBondContact O-N 3.46Å; D597-R599 VanDerWaalsContact O-N 3.16Å; D597-R599 WeakPolarHBondContact OD1-CB 3.38Å; D597-R599 WeakPolarHBondContact OD1-CG 3.5Å; D597-R599 PolarHBondContact OD1-N 3.15Å; D597-Y600 PolarHBondContact O-N 3.13Å; D597-L601 PolarHBondContact O-N 3.16Å
598	W	89.6	Confident	89	Confident	2 Å²	2	22.3 Å²	22.3	1%	0.008	10%	0.095	C	C	.	.	H	α-helix	trans	-59.8	-22.2	176.3	-80.7	120.1	0	0	0	114.1	V46 T49 K50 M53 G281 L282 Y600 L601 G602 Y605	V46-W598 HydrophobicContact CG1-CH2 4.01Å; V46-W598 HydrophobicContact CG1-CZ2 3.95Å; T49-W598 PolarHBondContact OG1-NE1 3.3Å; K50-W598 HydrophobicContact CB-CD2 3.96Å; K50-W598 HydrophobicContact CB-CE3 4.35Å; K50-W598 HydrophobicContact CB-CG 4.5Å; K50-W598 HydrophobicContact CB-CH2 4.18Å; K50-W598 HydrophobicContact CB-CZ2 3.77Å; K50-W598 HydrophobicContact CB-CZ3 4.46Å; K50-W598 HydrophobicContact CD-CE3 4.2Å; K50-W598 HydrophobicContact CD-CH2 3.9Å; K50-W598 HydrophobicContact CD-CZ2 4.36Å; K50-W598 HydrophobicContact CD-CZ3 3.82Å; K50-W598 HydrophobicContact CG-CD2 3.96Å; K50-W598 HydrophobicContact CG-CE3 3.9Å; K50-W598 HydrophobicContact CG-CH2 4.17Å; K50-W598 HydrophobicContact CG-CZ2 4.23Å; K50-W598 HydrophobicContact CG-CZ3 4.02Å; M53-W598 HydrophobicContact CB-CB 4.32Å; G281-W598 VanDerWaalsContact C-NE1 3.26Å; G281-W598 VanDerWaalsContact O-CE2 3.27Å; G281-W598 WeakPolarHBondContact O-CZ2 3.36Å; G281-W598 PolarHBondContact O-NE1 2.96Å; G281-W598 VanDerWaalsContact O-NE1 3.09Å; L282-W598 PolarHBondContact O-N 2.91Å; W598-Y600 VanDerWaalsContact C-N 3.26Å; W598-Y600 PolarHBondContact O-N 3.03Å; W598-L601 HydrophobicContact CE3-CB 4.25Å; W598-L601 HydrophobicContact CZ3-CB 4.46Å; W598-G602 WeakPolarHBondContact O-CA 3.41Å; W598-G602 PolarHBondContact O-N 3.44Å; W598-Y605 AromaticContact CH2-CE2 3.93Å; W598-Y605 HydrophobicContact CH2-CE2 3.93Å; W598-Y605 HydrophobicContact CZ3-CD2 4.04Å; W598-Y605 AromaticContact CZ3-CE2 3.71Å; W598-Y605 HydrophobicContact CZ3-CE2 3.71Å
599	R	86.6	Confident	89.2	Confident	154 Å²	154	20.9 Å²	20.9	58%	0.581	9%	0.09	S	C	*	.	H	α-helix	trans	-62.3	-35.1	170.6	-67.6	171.1	-177.1	-165.4	1.4	112.2	D597	D597-R599 PolarHBondContact O-N 3.46Å; D597-R599 VanDerWaalsContact O-N 3.16Å; D597-R599 WeakPolarHBondContact OD1-CB 3.38Å; D597-R599 WeakPolarHBondContact OD1-CG 3.5Å; D597-R599 PolarHBondContact OD1-N 3.15Å
600	Y	84.2	Confident	89	Confident	14 Å²	14	22.6 Å²	22.6	6%	0.055	10%	0.098	C	C	.	.	H	α-helix	trans	-83.7	-55.1	173.7	-177.1	-104.9	0	0	0	110.3	L12 L15 F537 L595 D597 W598 G602 R603	L12-Y600 HydrophobicContact CD1-CD2 4.31Å; L15-Y600 HydrophobicContact CD1-CD2 3.48Å; L15-Y600 VanDerWaalsContact CD1-CD2 3.48Å; L15-Y600 HydrophobicContact CD1-CE2 3.38Å; L15-Y600 HydrophobicContact CD2-CE2 3.99Å; L15-Y600 HydrophobicContact CG-CE2 4.34Å; F537-Y600 HydrophobicContact CZ-CE1 4.38Å; L595-Y600 WeakPolarHBondContact O-CD1 3.44Å; D597-Y600 PolarHBondContact O-N 3.13Å; W598-Y600 VanDerWaalsContact C-N 3.26Å; W598-Y600 PolarHBondContact O-N 3.03Å; Y600-G602 VanDerWaalsContact C-N 3.31Å; Y600-G602 PolarHBondContact O-N 2.97Å; Y600-R603 WeakPolarHBondContact O-CD 3.23Å; Y600-R603 WeakPolarHBondContact O-CG 3.35Å; Y600-R603 PolarHBondContact O-N 3.43Å; Y600-R603 PolarHBondContact O-NE 2.88Å
601	L	89.1	Confident	89.1	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-74.9	-17.6	-171.3	-64.4	178.9	0	0	0	114.4	P279 F537 D597 W598 R603 Y604	P279-L601 HydrophobicContact CB-CD1 4.33Å; P279-L601 HydrophobicContact CB-CD2 4.04Å; P279-L601 HydrophobicContact CG-CD2 4.25Å; F537-L601 HydrophobicContact CE2-CD2 3.82Å; F537-L601 HydrophobicContact CZ-CD2 3.72Å; D597-L601 PolarHBondContact O-N 3.16Å; W598-L601 HydrophobicContact CE3-CB 4.25Å; W598-L601 HydrophobicContact CZ3-CB 4.46Å; L601-R603 PolarHBondContact O-N 3.23Å; L601-Y604 HydrophobicContact CD2-CD2 4.17Å; L601-Y604 HydrophobicContact CD2-CE2 3.82Å; L601-Y604 WeakPolarHBondContact O-CD2 3.39Å; L601-Y604 PolarHBondContact O-N 3.2Å
602	G	88.4	Confident	89.5	Confident	1 Å²	1	21 Å²	21	1%	0.01	9%	0.091	C	C	.	.	H	α-helix	trans	-58.7	-29.1	174.9	0	0	0	0	0	113.4	W598 Y600 Y604 Y605 I606	W598-G602 WeakPolarHBondContact O-CA 3.41Å; W598-G602 PolarHBondContact O-N 3.44Å; Y600-G602 VanDerWaalsContact C-N 3.31Å; Y600-G602 PolarHBondContact O-N 2.97Å; G602-Y604 PolarHBondContact O-N 2.87Å; G602-Y604 VanDerWaalsContact O-N 3.14Å; G602-Y605 WeakPolarHBondContact O-CB 3.44Å; G602-Y605 PolarHBondContact O-N 3.02Å; G602-I606 PolarHBondContact O-N 3.34Å; G602-I606 VanDerWaalsContact O-N 3.14Å
603	R	86.4	Confident	89.7	Confident	59 Å²	59	21 Å²	21	22%	0.223	9%	0.091	C	C	.	.	H	α-helix	trans	-55.8	-32.9	178.3	76.9	-174	64.4	-149.7	-13.8	113.5	Y600 L601 Y605 I606 A607	Y600-R603 WeakPolarHBondContact O-CD 3.23Å; Y600-R603 WeakPolarHBondContact O-CG 3.35Å; Y600-R603 PolarHBondContact O-N 3.43Å; Y600-R603 PolarHBondContact O-NE 2.88Å; L601-R603 PolarHBondContact O-N 3.23Å; R603-Y605 VanDerWaalsContact C-N 3.32Å; R603-Y605 PolarHBondContact O-N 3.41Å; R603-I606 PolarHBondContact O-N 3.42Å; R603-A607 WeakPolarHBondContact O-CB 3.45Å; R603-A607 PolarHBondContact O-N 3.04Å
604	Y	89.4	Confident	90	Very high	56 Å²	56	21.3 Å²	21.3	22%	0.22	9%	0.094	C	C	.	.	H	α-helix	trans	-69.6	-32.2	179	-64.6	-78.4	0	0	0	111.8	V277 P279 L601 G602 A608	V277-Y604 WeakPolarHBondContact O-CD1 3.44Å; P279-Y604 HydrophobicContact CG-CD2 4.26Å; P279-Y604 HydrophobicContact CG-CE2 4.24Å; L601-Y604 HydrophobicContact CD2-CD2 4.17Å; L601-Y604 HydrophobicContact CD2-CE2 3.82Å; L601-Y604 WeakPolarHBondContact O-CD2 3.39Å; L601-Y604 PolarHBondContact O-N 3.2Å; G602-Y604 PolarHBondContact O-N 2.87Å; G602-Y604 VanDerWaalsContact O-N 3.14Å; Y604-A608 WeakPolarHBondContact O-CB 3.41Å; Y604-A608 PolarHBondContact O-N 3.45Å; Y604-A608 VanDerWaalsContact O-N 3.09Å
605	Y	93.7	Very high	90.4	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-71	-42.5	172.6	-82.7	-104.7	0	0	0	111.2	K50 Q178 H180 T278 W598 G602 R603 A607 A608 R609	K50-Y605 HydrophobicContact CD-CD1 3.89Å; K50-Y605 HydrophobicContact CD-CD2 4.06Å; K50-Y605 HydrophobicContact CD-CE1 3.74Å; K50-Y605 HydrophobicContact CD-CE2 3.94Å; K50-Y605 HydrophobicContact CD-CG 4.04Å; Q178-Y605 VanDerWaalsContact NE2-CD1 3.28Å; H180-Y605 AromaticContact CE1-CE1 3.99Å; T278-Y605 HydrophobicContact CG2-CD2 4.24Å; T278-Y605 HydrophobicContact CG2-CE2 4.33Å; W598-Y605 AromaticContact CH2-CE2 3.93Å; W598-Y605 HydrophobicContact CH2-CE2 3.93Å; W598-Y605 HydrophobicContact CZ3-CD2 4.04Å; W598-Y605 AromaticContact CZ3-CE2 3.71Å; W598-Y605 HydrophobicContact CZ3-CE2 3.71Å; G602-Y605 WeakPolarHBondContact O-CB 3.44Å; G602-Y605 PolarHBondContact O-N 3.02Å; R603-Y605 VanDerWaalsContact C-N 3.32Å; R603-Y605 PolarHBondContact O-N 3.41Å; Y605-A607 PolarHBondContact O-N 2.99Å; Y605-A608 PolarHBondContact O-N 2.93Å; Y605-R609 VanDerWaalsContact O-CG 3.27Å; Y605-R609 WeakPolarHBondContact O-CG 3.43Å; Y605-R609 PolarHBondContact O-N 2.94Å
606	I	90.7	Very high	90.7	Very high	47 Å²	47	25.7 Å²	25.7	24%	0.241	12%	0.117	C	C	.	.	H	α-helix	trans	-57	-51.4	175.2	-60.2	175.6	0	0	0	109.7	G602 R603 A608 R609 H610	G602-I606 PolarHBondContact O-N 3.34Å; G602-I606 VanDerWaalsContact O-N 3.14Å; R603-I606 PolarHBondContact O-N 3.42Å; I606-A608 VanDerWaalsContact C-N 3.31Å; I606-A608 PolarHBondContact O-N 3.26Å; I606-R609 PolarHBondContact O-N 3.43Å; I606-R609 VanDerWaalsContact O-N 3.12Å; I606-H610 PolarHBondContact O-CD2 3.29Å; I606-H610 PolarHBondContact O-N 2.89Å
607	A	89.3	Confident	90.7	Very high	10 Å²	10	27.3 Å²	27.3	8%	0.083	12%	0.124	C	C	.	.	H	α-helix	trans	-57.2	-42	177.2	0	0	0	0	0	112.7	W18 I276 R603 Y605 M611	W18-A607 HydrophobicContact CZ3-CB 4.15Å; I276-A607 HydrophobicContact CD1-CB 4.11Å; R603-A607 WeakPolarHBondContact O-CB 3.45Å; R603-A607 PolarHBondContact O-N 3.04Å; Y605-A607 PolarHBondContact O-N 2.99Å; A607-M611 WeakPolarHBondContact O-CB 3.47Å; A607-M611 PolarHBondContact O-N 3.27Å
608	A	93.1	Very high	90.7	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-65.6	-38.3	177.5	0	0	0	0	0	112.8	V254 T256 I276 T278 Y604 Y605 I606 A612	V254-A608 HydrophobicContact CG1-CB 4.28Å; T256-A608 HydrophobicContact CG2-CB 4.01Å; I276-A608 HydrophobicContact CD1-CB 4.09Å; T278-A608 HydrophobicContact CG2-CB 4.49Å; Y604-A608 WeakPolarHBondContact O-CB 3.41Å; Y604-A608 PolarHBondContact O-N 3.45Å; Y604-A608 VanDerWaalsContact O-N 3.09Å; Y605-A608 PolarHBondContact O-N 2.93Å; I606-A608 VanDerWaalsContact C-N 3.31Å; I606-A608 PolarHBondContact O-N 3.26Å; A608-A612 WeakPolarHBondContact O-CB 3.47Å; A608-A612 PolarHBondContact O-N 3.18Å
609	R	93.8	Very high	90.6	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-69.2	-43.5	176.6	-66.1	167.1	-168.4	160.3	-7	111.8	E31 T54 E57 V176 I201 Y605 I606 A612 L613	E31-R609 IonicContact OE2-NH2 3.15Å; T54-R609 VanDerWaalsContact CG2-NH2 3.3Å; T54-R609 PolarHBondContact OG1-NH2 3.4Å; E57-R609 VanDerWaalsContact CD-NH1 3.33Å; E57-R609 IonicContact OE1-NH1 3.72Å; E57-R609 PolarHBondContact OE1-NH1 2.95Å; E57-R609 VanDerWaalsContact OE1-NH1 3.09Å; E57-R609 IonicContact OE2-NH1 2.78Å; E57-R609 PolarHBondContact OE2-NH1 3.09Å; V176-R609 HydrophobicContact CG1-CG 4.32Å; I201-R609 HydrophobicContact CD1-CB 4.25Å; I201-R609 HydrophobicContact CD1-CG 3.71Å; Y605-R609 VanDerWaalsContact O-CG 3.27Å; Y605-R609 WeakPolarHBondContact O-CG 3.43Å; Y605-R609 PolarHBondContact O-N 2.94Å; I606-R609 PolarHBondContact O-N 3.43Å; I606-R609 VanDerWaalsContact O-N 3.12Å; R609-A612 WeakPolarHBondContact O-CB 3.39Å; R609-A612 PolarHBondContact O-N 3.42Å; R609-A612 VanDerWaalsContact O-N 3.15Å; R609-L613 PolarHBondContact O-N 2.88Å
610	H	89.9	Confident	90.5	Very high	35 Å²	35	35 Å²	35	16%	0.162	19%	0.185	C	C	.	.	H	α-helix	trans	-61.6	-46.4	176	-70.6	-164.6	0	0	0	111.2	I606 A612 L613 A614	I606-H610 PolarHBondContact O-CD2 3.29Å; I606-H610 PolarHBondContact O-N 2.89Å; H610-A612 PolarHBondContact O-N 3.2Å; H610-L613 PolarHBondContact O-N 3.42Å; H610-A614 PolarHBondContact O-N 3.45Å
611	M	91.9	Very high	90.5	Very high	17 Å²	17	35.2 Å²	35.2	8%	0.084	19%	0.185	C	C	.	.	H	α-helix	trans	-60.1	-36.7	175.6	-175.3	-170.1	-73.5	0	0	111.8	V254 D275 I276 A607 K615 Y623	V254-M611 HydrophobicContact CG1-SD 4.07Å; V254-M611 HydrophobicContact CG2-CB 3.9Å; V254-M611 HydrophobicContact CG2-CG 3.67Å; V254-M611 HydrophobicContact CG2-SD 3.78Å; D275-M611 HydrophobicContact CB-CE 4.45Å; D275-M611 HydrophobicContact CB-SD 3.75Å; I276-M611 HydrophobicContact CD1-CE 3.62Å; I276-M611 HydrophobicContact CD1-SD 4.21Å; I276-M611 HydrophobicContact CG1-CE 3.93Å; A607-M611 WeakPolarHBondContact O-CB 3.47Å; A607-M611 PolarHBondContact O-N 3.27Å; M611-K615 HydrophobicContact CG-CD 4.24Å; M611-K615 WeakPolarHBondContact O-CB 3.46Å; M611-K615 VanDerWaalsContact O-CG 3.29Å; M611-K615 WeakPolarHBondContact O-CG 3.34Å; M611-K615 PolarHBondContact O-N 3.05Å; M611-Y623 HydrophobicContact CB-CD1 4.42Å; M611-Y623 HydrophobicContact CB-CD2 4.3Å; M611-Y623 HydrophobicContact CB-CE1 4.35Å; M611-Y623 HydrophobicContact CB-CE2 4.25Å; M611-Y623 HydrophobicContact CB-CG 4.38Å; M611-Y623 HydrophobicContact CE-CD1 4.44Å; M611-Y623 HydrophobicContact CE-CE1 3.5Å; M611-Y623 VanDerWaalsContact CE-CE1 3.5Å; M611-Y623 WeakPolarHBondContact CE-OH 3.37Å; M611-Y623 HydrophobicContact CG-CD1 4.15Å; M611-Y623 HydrophobicContact CG-CE1 4.08Å
612	A	94.9	Very high	90	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-69.4	-42.6	178.2	0	0	0	0	0	112.1	A199 I201 V254 A608 R609 H610 K615 A616	A199-A612 HydrophobicContact CB-CB 4.15Å; A199-A612 WeakPolarHBondContact CB-O 3.32Å; I201-A612 HydrophobicContact CD1-CB 3.97Å; I201-A612 HydrophobicContact CG1-CB 3.56Å; V254-A612 HydrophobicContact CB-CB 4.32Å; V254-A612 HydrophobicContact CG2-CB 3.72Å; A608-A612 WeakPolarHBondContact O-CB 3.47Å; A608-A612 PolarHBondContact O-N 3.18Å; R609-A612 WeakPolarHBondContact O-CB 3.39Å; R609-A612 PolarHBondContact O-N 3.42Å; R609-A612 VanDerWaalsContact O-N 3.15Å; H610-A612 PolarHBondContact O-N 3.2Å; A612-K615 PolarHBondContact O-N 3.36Å; A612-A616 WeakPolarHBondContact O-CB 3.45Å; A612-A616 PolarHBondContact O-N 3.35Å
613	L	93.3	Very high	89.3	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-60.1	-48.2	174.6	-77.9	171.9	0	0	0	111.4	F22 H174 V176 A199 R609 H610 K615 A616 F617 Y621	F22-L613 HydrophobicContact CE1-CD1 4.03Å; F22-L613 HydrophobicContact CZ-CD1 4.13Å; H174-L613 HydrophobicContact CB-CD2 3.95Å; V176-L613 HydrophobicContact CG2-CD1 4.03Å; V176-L613 HydrophobicContact CG2-CD2 3.43Å; V176-L613 VanDerWaalsContact CG2-CD2 3.43Å; V176-L613 HydrophobicContact CG2-CG 3.62Å; A199-L613 HydrophobicContact CB-CD2 4.29Å; R609-L613 PolarHBondContact O-N 2.88Å; H610-L613 PolarHBondContact O-N 3.42Å; L613-K615 PolarHBondContact O-N 3.01Å; L613-A616 PolarHBondContact O-N 2.84Å; L613-F617 HydrophobicContact CD2-CD2 3.95Å; L613-F617 HydrophobicContact CD2-CE2 4.03Å; L613-F617 PolarHBondContact O-N 3.35Å; L613-Y621 HydrophobicContact CB-CD2 3.74Å; L613-Y621 HydrophobicContact CB-CE2 4.15Å; L613-Y621 HydrophobicContact CB-CG 4.02Å; L613-Y621 HydrophobicContact CD1-CE2 4.49Å; L613-Y621 HydrophobicContact CD2-CD2 4.23Å; L613-Y621 HydrophobicContact CD2-CE2 3.79Å; L613-Y621 HydrophobicContact CG-CD2 4.46Å; L613-Y621 HydrophobicContact CG-CE2 4.37Å
614	A	91.8	Very high	88.3	Confident	11 Å²	11	48.1 Å²	48.1	9%	0.091	26%	0.257	C	S	.	.	H	α-helix	trans	-64.4	-36.3	178.1	0	0	0	0	0	113.6	H610 P618 Y621 Y623	H610-A614 PolarHBondContact O-N 3.45Å; A614-P618 WeakPolarHBondContact O-CA 3.42Å; A614-Y621 WeakPolarHBondContact CA-O 3.26Å; A614-Y623 HydrophobicContact CB-CG 4.5Å
615	K	93.8	Very high	86.8	Confident	91 Å²	91	49.8 Å²	49.8	40%	0.396	28%	0.275	S	S	.	.	H	α-helix	trans	-70.8	-32	175.4	-75.5	179.7	-178.3	-179.7	0	112.9	H253 V254 D275 M611 A612 L613	H253-K615 HydrophobicContact CB-CB 4.23Å; H253-K615 HydrophobicContact CB-CD 4.48Å; H253-K615 WeakPolarHBondContact O-CD 3.11Å; H253-K615 PolarHBondContact O-NZ 3.45Å; V254-K615 HydrophobicContact CG2-CD 4.13Å; D275-K615 IonicContact OD1-NZ 2.79Å; D275-K615 PolarHBondContact OD1-NZ 2.86Å; D275-K615 IonicContact OD2-NZ 3.71Å; M611-K615 HydrophobicContact CG-CD 4.24Å; M611-K615 WeakPolarHBondContact O-CB 3.46Å; M611-K615 VanDerWaalsContact O-CG 3.29Å; M611-K615 WeakPolarHBondContact O-CG 3.34Å; M611-K615 PolarHBondContact O-N 3.05Å; A612-K615 PolarHBondContact O-N 3.36Å; L613-K615 PolarHBondContact O-N 3.01Å
616	A	93.3	Very high	84.8	Confident	26 Å²	26	55.3 Å²	55.3	22%	0.215	30%	0.301	C	S	.	.	H	α-helix	trans	-89.7	-34.8	-176.8	0	0	0	0	0	113.2	A199 A612 L613	A199-A616 HydrophobicContact CB-CB 3.66Å; A612-A616 WeakPolarHBondContact O-CB 3.45Å; A612-A616 PolarHBondContact O-N 3.35Å; L613-A616 PolarHBondContact O-N 2.84Å
617	F	91.8	Very high	82.3	Confident	35 Å²	35	61.4 Å²	61.4	15%	0.154	33%	0.329	C	S	.	.			trans	-132.5	67.5	-176.5	-42.5	-75.8	0	0	0	110.4	H174 P197 A199 L613 D619 T620 Y621	H174-F617 HydrophobicContact CB-CD2 4.17Å; H174-F617 HydrophobicContact CB-CE2 3.93Å; H174-F617 HydrophobicContact CB-CZ 4.5Å; H174-F617 AromaticContact CD2-CD1 3.84Å; H174-F617 AromaticContact CD2-CD2 3.62Å; H174-F617 AromaticContact CD2-CE2 3.94Å; H174-F617 AromaticContact CD2-CG 3.55Å; P197-F617 HydrophobicContact CB-CE1 4.46Å; A199-F617 HydrophobicContact CB-CE2 4.02Å; L613-F617 HydrophobicContact CD2-CD2 3.95Å; L613-F617 HydrophobicContact CD2-CE2 4.03Å; L613-F617 PolarHBondContact O-N 3.35Å; F617-D619 PolarHBondContact O-N 2.87Å; F617-T620 PolarHBondContact O-N 3.34Å; F617-Y621 HydrophobicContact CB-CD2 3.94Å; F617-Y621 HydrophobicContact CB-CE2 4.29Å; F617-Y621 HydrophobicContact CD2-CD2 4.33Å; F617-Y621 HydrophobicContact CD2-CE2 4.2Å; F617-Y621 PolarHBondContact O-N 2.81Å
618	P	89.3	Confident	79.9	Confident	85 Å²	85	66.9 Å²	66.9	55%	0.552	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-19.2	-172.8	28.3	-36.7	0	0	0	114	A614 T620	A614-P618 WeakPolarHBondContact O-CA 3.42Å; P618-T620 VanDerWaalsContact C-N 3.33Å
619	D	87.3	Confident	77.1	Confident	165 Å²	165	70.5 Å²	70.5	88%	0.882	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-25.7	178.1	-61.1	-38.8	0	0	0	112.2	F617	F617-D619 PolarHBondContact O-N 2.87Å
620	T	85.1	Confident	74.2	Confident	83 Å²	83	75.9 Å²	75.9	51%	0.509	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-41.7	-178.8	-47.7	0	0	0	0	111.4	F617 P618	F617-T620 PolarHBondContact O-N 3.34Å; P618-T620 VanDerWaalsContact C-N 3.33Å
621	Y	83.9	Confident	71.8	Confident	19 Å²	19	77.7 Å²	77.7	8%	0.075	45%	0.448	C	S	.	.			trans	-116.4	126.6	-172.4	-56.1	-67.9	0	0	0	111.3	F22 H174 L613 A614 F617	F22-Y621 HydrophobicContact CE1-CD1 4.06Å; F22-Y621 AromaticContact CE1-CE1 3.6Å; F22-Y621 HydrophobicContact CE1-CE1 3.6Å; F22-Y621 AromaticContact CE2-CD1 3.7Å; F22-Y621 HydrophobicContact CE2-CD1 3.7Å; F22-Y621 HydrophobicContact CE2-CE1 4.05Å; F22-Y621 AromaticContact CZ-CD1 3.12Å; F22-Y621 HydrophobicContact CZ-CD1 3.12Å; F22-Y621 AromaticContact CZ-CE1 3.14Å; F22-Y621 HydrophobicContact CZ-CE1 3.14Å; F22-Y621 HydrophobicContact CZ-CG 4.14Å; H174-Y621 HydrophobicContact CB-CE2 3.96Å; H174-Y621 AromaticContact CD2-CE2 3.73Å; H174-Y621 AromaticContact CE1-CE2 3.96Å; H174-Y621 AromaticContact CG-CE2 3.54Å; H174-Y621 AromaticContact CG-CZ 3.89Å; H174-Y621 AromaticContact ND1-CE2 3.72Å; H174-Y621 AromaticContact ND1-CZ 3.68Å; H174-Y621 PolarHBondContact ND1-OH 3.25Å; H174-Y621 AromaticContact NE2-CE2 3.97Å; L613-Y621 HydrophobicContact CB-CD2 3.74Å; L613-Y621 HydrophobicContact CB-CE2 4.15Å; L613-Y621 HydrophobicContact CB-CG 4.02Å; L613-Y621 HydrophobicContact CD1-CE2 4.49Å; L613-Y621 HydrophobicContact CD2-CD2 4.23Å; L613-Y621 HydrophobicContact CD2-CE2 3.79Å; L613-Y621 HydrophobicContact CG-CD2 4.46Å; L613-Y621 HydrophobicContact CG-CE2 4.37Å; A614-Y621 WeakPolarHBondContact CA-O 3.26Å; F617-Y621 HydrophobicContact CB-CD2 3.94Å; F617-Y621 HydrophobicContact CB-CE2 4.29Å; F617-Y621 HydrophobicContact CD2-CD2 4.33Å; F617-Y621 HydrophobicContact CD2-CE2 4.2Å; F617-Y621 PolarHBondContact O-N 2.81Å
622	V	79.4	Confident	69.4	Low	122 Å²	122	81.5 Å²	81.5	74%	0.739	48%	0.476	S	S	*	.			trans	-101.4	131.1	171.7	-177.4	0	0	0	0	108.1
623	Y	72.8	Confident	67.1	Low	75 Å²	75	83.6 Å²	83.6	29%	0.294	50%	0.497	S	S	.	.			trans	-117.6	103.9	166.6	177.1	-100.2	0	0	0	107.1	M611 A614 P625	M611-Y623 HydrophobicContact CB-CD1 4.42Å; M611-Y623 HydrophobicContact CB-CD2 4.3Å; M611-Y623 HydrophobicContact CB-CE1 4.35Å; M611-Y623 HydrophobicContact CB-CE2 4.25Å; M611-Y623 HydrophobicContact CB-CG 4.38Å; M611-Y623 HydrophobicContact CE-CD1 4.44Å; M611-Y623 HydrophobicContact CE-CE1 3.5Å; M611-Y623 VanDerWaalsContact CE-CE1 3.5Å; M611-Y623 WeakPolarHBondContact CE-OH 3.37Å; M611-Y623 HydrophobicContact CG-CD1 4.15Å; M611-Y623 HydrophobicContact CG-CE1 4.08Å; A614-Y623 HydrophobicContact CB-CG 4.5Å; Y623-P625 HydrophobicContact CD1-CB 4.47Å; Y623-P625 VanDerWaalsContact CE1-CA 3.48Å; Y623-P625 HydrophobicContact CE1-CB 3.94Å; Y623-P625 VanDerWaalsContact O-CD 3.27Å; Y623-P625 WeakPolarHBondContact O-CD 3.21Å
624	D	66.3	Low	65.1	Low	133 Å²	133	84.9 Å²	84.9	71%	0.711	50%	0.503	S	S	*	.			trans	-74.6	114.4	163.1	-84.3	-32.8	0	0	0	106.6	Q626	D624-Q626 PolarHBondContact O-N 3.38Å
625	P	57.2	Low	63.7	Low	92 Å²	92	91.3 Å²	91.3	60%	0.597	53%	0.525	S	S	*	.			trans	-58.5	112.1	171.5	21.9	-25.1	0	0	0	105.5	Y623 E627	Y623-P625 HydrophobicContact CD1-CB 4.47Å; Y623-P625 VanDerWaalsContact CE1-CA 3.48Å; Y623-P625 HydrophobicContact CE1-CB 3.94Å; Y623-P625 VanDerWaalsContact O-CD 3.27Å; Y623-P625 WeakPolarHBondContact O-CD 3.21Å; P625-E627 PolarHBondContact O-N 2.87Å
626	Q	52.5	Low	62.5	Low	116 Å²	116	88.2 Å²	88.2	54%	0.542	51%	0.511	S	S	.	.			trans	-51	117	166.2	-73.7	-175.2	-6	0	0	104.8	W18 D624 P628	W18-Q626 VanDerWaalsContact CH2-OE1 3.27Å; W18-Q626 VanDerWaalsContact CZ2-CD 3.44Å; D624-Q626 PolarHBondContact O-N 3.38Å; Q626-P628 VanDerWaalsContact O-N 3.17Å
627	E	37.9	Very low	61.5	Low	174 Å²	174	87.8 Å²	87.8	81%	0.813	51%	0.506	S	S	*	.			trans	-44.9	133.4	168.4	-79.6	-167.5	162.3	0	0	105.2	P625 S629	P625-E627 PolarHBondContact O-N 2.87Å; E627-S629 PolarHBondContact O-N 3.49Å
628	P	38.3	Very low	60.5	Low	125 Å²	125	89.9 Å²	89.9	81%	0.812	51%	0.513	S	S	*	.			trans	-60.1	93.5	176.3	24.7	-30.7	0	0	0	104.8	Q626 S630	Q626-P628 VanDerWaalsContact O-N 3.17Å; P628-S630 PolarHBondContact O-N 3.39Å
629	S	34.5	Very low	59.6	Low	76 Å²	76	85.9 Å²	85.9	53%	0.531	49%	0.487	S	S	.	.			trans	-57.6	110.7	168.7	71.2	0	0	0	0	100.9	E627 A631	E627-S629 PolarHBondContact O-N 3.49Å; S629-A631 PolarHBondContact O-N 3.45Å
630	S	33.8	Very low	58	Low	113 Å²	113	80.1 Å²	80.1	79%	0.79	46%	0.462	S	S	*	.			trans	-57	88.5	178.4	48.7	0	0	0	0	106	P628 S632	P628-S630 PolarHBondContact O-N 3.39Å; S630-S632 VanDerWaalsContact C-N 3.26Å; S630-S632 PolarHBondContact O-N 3.11Å
631	A	39.6	Very low	57	Low	74 Å²	74	78.7 Å²	78.7	61%	0.612	46%	0.455	S	S	*	.	S	Bend	trans	13.8	68.8	-171.9	0	0	0	0	0	113.9	S629	S629-A631 PolarHBondContact O-N 3.45Å
632	S	40.8	Very low	56	Low	96 Å²	96	79.3 Å²	79.3	67%	0.671	46%	0.461	S	S	*	.			trans	-81.6	11.6	142.7	63.9	0	0	0	0	109.6	S630	S630-S632 VanDerWaalsContact C-N 3.26Å; S630-S632 PolarHBondContact O-N 3.11Å
633	G	46.3	Very low	54.5	Low	44 Å²	44	78.3 Å²	78.3	45%	0.454	46%	0.457	S	S	.	.	S	Bend	trans	-54.1	135	164.4	0	0	0	0	0	109.8	R635	G633-R635 PolarHBondContact O-N 3.43Å
634	F	51.6	Low	53.1	Low	27 Å²	27	80.3 Å²	80.3	12%	0.118	48%	0.479	C	S	.	.			trans	-32.5	109	171.1	178.7	-86.9	0	0	0	111.7	L12 L15 L595 Y636 I681	L12-F634 HydrophobicContact CD2-CE1 4.26Å; L12-F634 HydrophobicContact CD2-CE2 4.13Å; L12-F634 HydrophobicContact CD2-CZ 3.76Å; L15-F634 HydrophobicContact CD2-CB 3.85Å; L15-F634 HydrophobicContact CD2-CD2 4.47Å; L15-F634 HydrophobicContact CD2-CG 4.3Å; L595-F634 HydrophobicContact CD2-CD1 4.16Å; L595-F634 HydrophobicContact CD2-CE1 3.82Å; F634-Y636 AromaticContact CE1-CD2 3.67Å; F634-Y636 HydrophobicContact CE1-CD2 3.67Å; F634-Y636 HydrophobicContact CE1-CG 4.23Å; F634-Y636 AromaticContact CZ-CD2 3.8Å; F634-Y636 HydrophobicContact CZ-CD2 3.8Å; F634-Y636 HydrophobicContact CZ-CE2 4.35Å; F634-Y636 HydrophobicContact CZ-CG 4.46Å; F634-I681 HydrophobicContact CD2-CG2 3.61Å; F634-I681 HydrophobicContact CE2-CB 4.2Å; F634-I681 HydrophobicContact CE2-CD1 3.81Å; F634-I681 HydrophobicContact CE2-CG1 3.77Å; F634-I681 HydrophobicContact CE2-CG2 3.35Å; F634-I681 HydrophobicContact CZ-CD1 4.21Å; F634-I681 HydrophobicContact CZ-CG1 4.22Å; F634-I681 HydrophobicContact CZ-CG2 4.49Å
635	R	62.3	Low	51.7	Low	146 Å²	146	77.7 Å²	77.7	55%	0.551	47%	0.471	S	S	*	.			trans	-102.2	112.7	169.2	-163.5	171.9	-169.2	-169.8	-5.5	106.7	H541 I542 A543 G633 P637	H541-R635 WeakPolarHBondContact O-CA 3.41Å; I542-R635 PolarHBondContact O-NE 2.89Å; I542-R635 PolarHBondContact O-NH2 2.99Å; A543-R635 VanDerWaalsContact CA-NE 3.33Å; A543-R635 HydrophobicContact CB-CG 4.09Å; G633-R635 PolarHBondContact O-N 3.43Å; R635-P637 WeakPolarHBondContact O-CD 3.43Å
636	Y	68.7	Low	50.6	Low	27 Å²	27	79.4 Å²	79.4	11%	0.106	48%	0.482	C	S	.	.	B	Isolated β-bridge	trans	-55.2	120.3	179.6	-154.9	-73.1	0	0	0	107.6	H541 A543 Y548 L592 L595 F634	H541-Y636 PolarHBondContact O-N 2.75Å; A543-Y636 WeakPolarHBondContact CB-O 3.29Å; A543-Y636 PolarHBondContact N-O 3.35Å; Y548-Y636 HydrophobicContact CD1-CE1 4.44Å; Y548-Y636 AromaticContact CE1-CD1 3.84Å; Y548-Y636 HydrophobicContact CE1-CD1 3.84Å; Y548-Y636 AromaticContact CE1-CE1 3.43Å; Y548-Y636 HydrophobicContact CE1-CE1 3.43Å; Y548-Y636 VanDerWaalsContact CE1-CE1 3.43Å; Y548-Y636 AromaticContact CE2-CD1 3.9Å; Y548-Y636 HydrophobicContact CE2-CD1 3.9Å; Y548-Y636 HydrophobicContact CE2-CE1 4.3Å; Y548-Y636 AromaticContact CZ-CD1 3.4Å; Y548-Y636 VanDerWaalsContact CZ-CD1 3.4Å; Y548-Y636 AromaticContact CZ-CE1 3.35Å; Y548-Y636 WeakPolarHBondContact OH-CD1 3.48Å; Y548-Y636 WeakPolarHBondContact OH-CE1 3.18Å; L592-Y636 HydrophobicContact CD2-CD1 4.2Å; L592-Y636 HydrophobicContact CD2-CD2 4.08Å; L592-Y636 HydrophobicContact CD2-CE1 4.41Å; L592-Y636 HydrophobicContact CD2-CE2 4.3Å; L592-Y636 HydrophobicContact CD2-CG 4.04Å; L595-Y636 HydrophobicContact CD1-CD2 3.99Å; L595-Y636 HydrophobicContact CG-CD2 4.41Å; F634-Y636 AromaticContact CE1-CD2 3.67Å; F634-Y636 HydrophobicContact CE1-CD2 3.67Å; F634-Y636 HydrophobicContact CE1-CG 4.23Å; F634-Y636 AromaticContact CZ-CD2 3.8Å; F634-Y636 HydrophobicContact CZ-CD2 3.8Å; F634-Y636 HydrophobicContact CZ-CE2 4.35Å; F634-Y636 HydrophobicContact CZ-CG 4.46Å
637	P	72.7	Confident	49.6	Very low	17 Å²	17	78.4 Å²	78.4	11%	0.11	49%	0.494	C	S	.	.	P	Polyproline II helix	trans	-66.5	168.5	-169.8	27	-34.7	0	0	0	110.6	Y548 R635 N680 I681	Y548-P637 WeakPolarHBondContact CE2-O 3.43Å; Y548-P637 PolarHBondContact OH-O 2.94Å; R635-P637 WeakPolarHBondContact O-CD 3.43Å; P637-N680 HydrophobicContact CB-CB 4.13Å; P637-N680 HydrophobicContact CG-CB 4.15Å; P637-I681 HydrophobicContact CG-CG1 4.43Å
638	R	70.2	Confident	49.4	Very low	78 Å²	78	78.7 Å²	78.7	29%	0.294	50%	0.5	S	S	.	.	P	Polyproline II helix	trans	-67.1	141.5	169.7	-172.9	176.2	-172.4	-163.7	-8.1	108.9	D544 A640 P643 S645	D544-R638 HydrophobicContact CB-CB 4.47Å; D544-R638 HydrophobicContact CB-CG 4.14Å; D544-R638 IonicContact OD2-NE 3.56Å; D544-R638 PolarHBondContact OD2-NE 3.45Å; R638-A640 PolarHBondContact O-N 3.29Å; R638-P643 PolarHBondContact NH2-O 3.45Å; R638-S645 PolarHBondContact NH1-OG 3.25Å; R638-S645 PolarHBondContact NH2-OG 3.43Å
639	P	70.3	Confident	49.3	Very low	2 Å²	2	77.6 Å²	77.6	1%	0.013	50%	0.496	C	S	.	.	P	Polyproline II helix	trans	-63	135.8	-177.7	-7.6	17.3	0	0	0	110.8	A547 Y548 S641 V642 D677	A547-P639 HydrophobicContact CB-CG 3.93Å; Y548-P639 HydrophobicContact CD1-CG 4.48Å; Y548-P639 HydrophobicContact CD2-CG 4.1Å; Y548-P639 HydrophobicContact CE1-CG 3.97Å; Y548-P639 HydrophobicContact CE2-CG 3.56Å; Y548-P639 VanDerWaalsContact CZ-CG 3.44Å; Y548-P639 WeakPolarHBondContact OH-CA 3.33Å; Y548-P639 WeakPolarHBondContact OH-CG 3.46Å; P639-S641 PolarHBondContact O-N 3.46Å; P639-S641 VanDerWaalsContact O-N 3.13Å; P639-V642 HydrophobicContact CB-CG2 4.15Å; P639-V642 HydrophobicContact CG-CG2 3.97Å; P639-V642 PolarHBondContact O-N 3.41Å; P639-D677 WeakPolarHBondContact CA-OD1 3.24Å
640	A	54.7	Low	49.1	Very low	43 Å²	43	85.5 Å²	85.5	36%	0.355	51%	0.514	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-25.7	-174.8	0	0	0	0	0	114.1	R638 V642 K676 D677	R638-A640 PolarHBondContact O-N 3.29Å; A640-V642 VanDerWaalsContact C-N 3.3Å; A640-V642 PolarHBondContact O-N 3.3Å; A640-K676 HydrophobicContact CB-CB 3.77Å; A640-K676 HydrophobicContact CB-CD 4.18Å; A640-D677 PolarHBondContact N-OD1 2.95Å
641	S	63.2	Low	49.2	Very low	53 Å²	53	89.6 Å²	89.6	37%	0.371	52%	0.52	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	0.9	178	67.8	0	0	0	0	114.6	R588 P639 E673	R588-S641 PolarHBondContact NH2-OG 2.98Å; P639-S641 PolarHBondContact O-N 3.46Å; P639-S641 VanDerWaalsContact O-N 3.13Å; S641-E673 WeakPolarHBondContact CB-OE1 3.13Å; S641-E673 PolarHBondContact N-OE1 3.43Å; S641-E673 PolarHBondContact OG-OE1 2.98Å
642	V	63.5	Low	48.8	Very low	33 Å²	33	91.6 Å²	91.6	20%	0.2	53%	0.53	C	S	.	.	S	Bend	trans	-90.7	120.2	170.1	-172.2	0	0	0	0	108.7	A547 P639 A640	A547-V642 HydrophobicContact CB-CG2 4.2Å; P639-V642 HydrophobicContact CB-CG2 4.15Å; P639-V642 HydrophobicContact CG-CG2 3.97Å; P639-V642 PolarHBondContact O-N 3.41Å; A640-V642 VanDerWaalsContact C-N 3.3Å; A640-V642 PolarHBondContact O-N 3.3Å
643	P	47.9	Very low	48.2	Very low	100 Å²	100	92 Å²	92	65%	0.649	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-58.9	142.5	-179.2	19.6	-29.1	0	0	0	111.2	R638 S645	R638-P643 PolarHBondContact NH2-O 3.45Å; P643-S645 PolarHBondContact O-N 3.43Å
644	P	42.4	Very low	47.7	Very low	117 Å²	117	96 Å²	96	76%	0.76	55%	0.55	S	S	*	*	P	Polyproline II helix	trans	-58.5	135.9	178.8	23	-31.1	0	0	0	109.6
645	S	38	Very low	46.6	Very low	78 Å²	78	103.6 Å²	103.6	55%	0.545	59%	0.586	S	S	.	*	P	Polyproline II helix	trans	-62.6	137.8	176.2	-52.4	0	0	0	0	108.4	R638 P643 A647	R638-S645 PolarHBondContact NH1-OG 3.25Å; R638-S645 PolarHBondContact NH2-OG 3.43Å; P643-S645 PolarHBondContact O-N 3.43Å; S645-A647 PolarHBondContact O-N 3.28Å
646	P	34.4	Very low	44.9	Very low	128 Å²	128	105.7 Å²	105.7	83%	0.831	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-59.4	117.3	-177.9	20.9	-29.9	0	0	0	109.5	L648	P646-L648 PolarHBondContact O-N 3.13Å
647	A	30.3	Very low	43.3	Very low	96 Å²	96	109.4 Å²	109.4	79%	0.793	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-63.8	122.4	173.4	0	0	0	0	0	108.3	S645 S649	S645-A647 PolarHBondContact O-N 3.28Å; A647-S649 VanDerWaalsContact C-N 3.31Å; A647-S649 PolarHBondContact O-N 3.35Å
648	L	35	Very low	41.3	Very low	179 Å²	179	117.9 Å²	117.9	94%	0.937	67%	0.67	S	S	*	*	S	Bend	trans	-60	93.6	168.9	-89.5	151.3	0	0	0	109.3	P646	P646-L648 PolarHBondContact O-N 3.13Å
649	S	35.1	Very low	39.4	Very low	102 Å²	102	118.7 Å²	118.7	71%	0.713	69%	0.693	S	S	*	*			trans	163.1	94.5	136.8	49.2	0	0	0	0	110.7	A647	A647-S649 VanDerWaalsContact C-N 3.31Å; A647-S649 PolarHBondContact O-N 3.35Å
650	R	30.4	Very low	37.6	Very low	242 Å²	242	127.4 Å²	127.4	91%	0.913	73%	0.733	S	S	*	*				169.6	137.1	128.5	-91.3	167.1	-176.8	-158.7	1	109.6
651	H	35	Very low	36.6	Very low	200 Å²	200	132.9 Å²	132.9	93%	0.926	76%	0.756	S	S	*	*			trans	-58.5	134.2	176.1	-67	-76.3	0	0	0	111.3
652	S	31.5	Very low	35.1	Very low	116 Å²	116	137.7 Å²	137.7	81%	0.811	78%	0.778	S	S	*	*			trans	-138.1	142.1	153.9	82	0	0	0	0	109.6
653	S	29.8	Very low	33.7	Very low	103 Å²	103	144 Å²	144	72%	0.72	81%	0.811	S	S	*	*			trans	-62.4	162.2	-163.7	-32.9	0	0	0	0	114.4	H655	S653-H655 PolarHBondContact O-N 3.05Å
654	P	35.1	Very low	33.3	Very low	128 Å²	128	147.1 Å²	147.1	83%	0.831	82%	0.816	S	S	*	*			trans	-76.2	110.7	-177.8	31.4	-29.9	0	0	0	109.7
655	H	28.2	Very low	33.2	Very low	187 Å²	187	149.2 Å²	149.2	87%	0.866	82%	0.821	S	S	*	*			trans	-93.3	124.2	160.2	-93.7	-51.3	0	0	0	109.1	S653 S657	S653-H655 PolarHBondContact O-N 3.05Å; H655-S657 PolarHBondContact O-N 3.34Å
656	H	27.6	Very low	33.5	Very low	191 Å²	191	153.8 Å²	153.8	88%	0.884	83%	0.834	S	S	*	*			trans	-53.2	125.4	170.9	-94.6	-80	0	0	0	110.7	E658	H656-E658 PolarHBondContact O-N 2.63Å
657	S	34.1	Very low	34.2	Very low	105 Å²	105	158.9 Å²	158.9	73%	0.734	84%	0.837	S	S	*	*			trans	-84.9	102.6	174.9	53.3	0	0	0	0	110.7	H655	H655-S657 PolarHBondContact O-N 3.34Å
658	E	31.7	Very low	35.5	Very low	195 Å²	195	157.3 Å²	157.3	91%	0.911	81%	0.811	S	S	*	*			trans	-135.5	36.5	161.7	-77.3	-160.7	160.3	0	0	111.5	H656	H656-E658 PolarHBondContact O-N 2.63Å
659	A	29.4	Very low	37	Very low	94 Å²	94	152.7 Å²	152.7	78%	0.777	79%	0.787	S	S	*	*			trans	-156.7	69.5	174.8	0	0	0	0	0	112
660	E	32.3	Very low	38.3	Very low	186 Å²	186	150 Å²	150	87%	0.869	76%	0.763	S	S	*	*			trans	-132.3	36.8	167.3	-76.6	-167.1	175.3	0	0	111.8
661	D	33.8	Very low	39.8	Very low	157 Å²	157	146.2 Å²	146.2	84%	0.84	76%	0.756	S	S	*	*	S	Bend	trans	-113.9	14.3	175.1	-89.1	-18.7	0	0	0	113.5
662	N	31.8	Very low	41.5	Very low	154 Å²	154	140.8 Å²	140.8	82%	0.824	73%	0.733	S	S	*	*	S	Bend	trans	-129.4	11.5	-173.1	-97	-8.9	0	0	0	117.5
663	D	34.6	Very low	43.1	Very low	166 Å²	166	135.6 Å²	135.6	89%	0.888	70%	0.696	S	S	*	*			trans	-104.3	39.6	172.9	-72.8	-30.2	0	0	0	112.4	D665	D663-D665 VanDerWaalsContact C-N 3.27Å; D663-D665 PolarHBondContact O-N 2.96Å
664	E	39.2	Very low	44.7	Very low	165 Å²	165	131.7 Å²	131.7	77%	0.771	67%	0.67	S	S	*	*			trans	-78.6	-3.9	174.2	-78.8	-159.3	142.3	0	0	114.3
665	D	40.3	Very low	46.1	Very low	161 Å²	161	130.2 Å²	130.2	86%	0.861	65%	0.652	S	S	*	*			trans	-103.5	3.7	-168.2	-93.9	-24	0	0	0	116.8	D663 R667	D663-D665 VanDerWaalsContact C-N 3.27Å; D663-D665 PolarHBondContact O-N 2.96Å; D665-R667 PolarHBondContact O-N 3.21Å
666	E	44.8	Very low	47.7	Very low	175 Å²	175	126.7 Å²	126.7	82%	0.818	63%	0.634	S	S	*	*			trans	-73.8	95.6	162.8	-79.1	-164.1	173.8	0	0	109.4	R580 Y668	R580-E666 PolarHBondContact NH2-O 3.29Å; E666-Y668 PolarHBondContact O-N 3.24Å
667	R	49.3	Very low	49.3	Very low	235 Å²	235	117.7 Å²	117.7	89%	0.887	59%	0.593	S	S	*	*			trans	-58.9	107.1	172	-162.4	-176.9	-80.8	-161.2	-2.1	107.5	D665 D669	D665-R667 PolarHBondContact O-N 3.21Å; R667-D669 PolarHBondContact O-N 3.38Å
668	Y	55.7	Low	50.7	Low	62 Å²	62	117 Å²	117	24%	0.243	57%	0.574	C	S	.	*			trans	-55.6	110.6	174.8	168.3	-96.7	0	0	0	108.6	I584 R591 E666 E670 E673	I584-Y668 HydrophobicContact CG1-CD1 4.45Å; I584-Y668 HydrophobicContact CG1-CE1 4.32Å; I584-Y668 HydrophobicContact CG1-CE2 4.39Å; I584-Y668 HydrophobicContact CG2-CE2 4.11Å; R591-Y668 PolarHBondContact NH2-OH 3.23Å; E666-Y668 PolarHBondContact O-N 3.24Å; Y668-E670 HydrophobicContact CE1-CB 3.95Å; Y668-E673 WeakPolarHBondContact CE2-OE2 3.28Å; Y668-E673 PolarHBondContact OH-OE2 3.46Å
669	D	67.4	Low	51.8	Low	83 Å²	83	113 Å²	113	44%	0.444	56%	0.563	S	S	.	*			trans	-100.9	108.2	176.8	-172	-30	0	0	0	108.3	R667 E671 L672 E673	R667-D669 PolarHBondContact O-N 3.38Å; D669-E671 PolarHBondContact OD1-N 2.91Å; D669-L672 HydrophobicContact CB-CB 3.79Å; D669-L672 PolarHBondContact O-N 3.46Å; D669-L672 PolarHBondContact OD1-N 2.92Å; D669-L672 VanDerWaalsContact OD1-N 3.12Å; D669-E673 PolarHBondContact O-N 3.24Å
670	E	61.7	Low	52.7	Low	44 Å²	44	112.6 Å²	112.6	21%	0.206	55%	0.548	C	S	.	.	H	α-helix	trans	-67.5	-36.7	-176.8	172.4	159.5	-135.1	0	0	112.8	N587 R591 Y668 L672 E673 A674	N587-E670 WeakPolarHBondContact CB-OE1 3.24Å; N587-E670 PolarHBondContact ND2-OE1 3.05Å; N587-E670 PolarHBondContact ND2-OE2 2.8Å; R591-E670 IonicContact NH2-OE1 2.88Å; Y668-E670 HydrophobicContact CE1-CB 3.95Å; E670-L672 VanDerWaalsContact C-N 3.34Å; E670-E673 PolarHBondContact O-N 3.2Å; E670-A674 WeakPolarHBondContact O-CB 3.41Å; E670-A674 PolarHBondContact O-N 3.36Å
671	E	63.1	Low	53.6	Low	163 Å²	163	105.1 Å²	105.1	76%	0.762	51%	0.513	S	S	*	.	H	α-helix	trans	-68.4	-40.5	177.6	-70.6	-176.7	177.3	0	0	110	D669 A674 E675	D669-E671 PolarHBondContact OD1-N 2.91Å; E671-A674 PolarHBondContact O-N 2.76Å; E671-E675 WeakPolarHBondContact O-CB 3.18Å; E671-E675 PolarHBondContact O-N 3.01Å
672	L	69.4	Low	53.8	Low	87 Å²	87	108.8 Å²	108.8	46%	0.455	52%	0.515	S	S	.	.	H	α-helix	trans	-68.2	-34.7	177.5	-163.5	142.7	0	0	0	112.4	D669 E670 K676	D669-L672 HydrophobicContact CB-CB 3.79Å; D669-L672 PolarHBondContact O-N 3.46Å; D669-L672 PolarHBondContact OD1-N 2.92Å; D669-L672 VanDerWaalsContact OD1-N 3.12Å; E670-L672 VanDerWaalsContact C-N 3.34Å; L672-K676 HydrophobicContact CD2-CD 3.87Å; L672-K676 HydrophobicContact CD2-CG 4.48Å; L672-K676 VanDerWaalsContact CD2-NZ 3.28Å; L672-K676 VanDerWaalsContact O-CG 3.31Å; L672-K676 WeakPolarHBondContact O-CG 3.34Å; L672-K676 PolarHBondContact O-N 2.63Å
673	E	66.9	Low	53.6	Low	7 Å²	7	108.8 Å²	108.8	3%	0.033	51%	0.51	C	S	.	.	H	α-helix	trans	-70.4	-44	172.7	-165.8	-168.5	-161.4	0	0	111.9	R588 R591 S641 Y668 D669 E670 E675 K676 D677	R588-E673 IonicContact NE-OE1 3.84Å; R591-E673 IonicContact CZ-OE2 3.03Å; R591-E673 VanDerWaalsContact CZ-OE2 3.3Å; R591-E673 VanDerWaalsContact NH1-CD 3.27Å; R591-E673 IonicContact NH1-OE1 2.79Å; R591-E673 IonicContact NH1-OE2 3.13Å; R591-E673 PolarHBondContact NH1-OE2 3.41Å; R591-E673 IonicContact NH2-OE2 3.76Å; R591-E673 PolarHBondContact NH2-OE2 2.98Å; S641-E673 WeakPolarHBondContact CB-OE1 3.13Å; S641-E673 PolarHBondContact N-OE1 3.43Å; S641-E673 PolarHBondContact OG-OE1 2.98Å; Y668-E673 WeakPolarHBondContact CE2-OE2 3.28Å; Y668-E673 PolarHBondContact OH-OE2 3.46Å; D669-E673 PolarHBondContact O-N 3.24Å; E670-E673 PolarHBondContact O-N 3.2Å; E673-E675 PolarHBondContact O-N 2.92Å; E673-K676 PolarHBondContact O-N 3.11Å; E673-K676 VanDerWaalsContact O-N 3.15Å; E673-D677 PolarHBondContact O-N 3.11Å
674	A	62	Low	53.5	Low	21 Å²	21	104.5 Å²	104.5	17%	0.174	49%	0.492	C	S	.	.	H	α-helix	trans	-58.7	-39.2	175.5	0	0	0	0	0	111.3	E670 E671 D677 R678	E670-A674 WeakPolarHBondContact O-CB 3.41Å; E670-A674 PolarHBondContact O-N 3.36Å; E671-A674 PolarHBondContact O-N 2.76Å; A674-D677 PolarHBondContact O-N 3.24Å; A674-R678 VanDerWaalsContact O-CG 3.26Å; A674-R678 WeakPolarHBondContact O-CG 3.37Å; A674-R678 PolarHBondContact O-N 2.92Å
675	E	64.4	Low	52.8	Low	97 Å²	97	107.6 Å²	107.6	45%	0.453	50%	0.498	S	S	.	.	H	α-helix	trans	-68.2	-39.9	175.5	-163	60.7	-156.7	0	0	112.4	E671 E673 R678 V679	E671-E675 WeakPolarHBondContact O-CB 3.18Å; E671-E675 PolarHBondContact O-N 3.01Å; E673-E675 PolarHBondContact O-N 2.92Å; E675-R678 WeakPolarHBondContact O-CB 3.09Å; E675-R678 PolarHBondContact O-N 2.89Å; E675-R678 WeakPolarHBondContact OE2-CD 3.21Å; E675-R678 IonicContact OE2-CZ 3.31Å; E675-R678 IonicContact OE2-NE 3.13Å; E675-R678 IonicContact OE2-NH1 3.72Å; E675-R678 PolarHBondContact OE2-NH1 3.41Å; E675-V679 WeakPolarHBondContact O-CG2 3.5Å; E675-V679 PolarHBondContact O-N 2.98Å
676	K	63.3	Low	52.2	Low	112 Å²	112	106.1 Å²	106.1	49%	0.487	50%	0.495	S	S	.	.	H	α-helix	trans	-64	-42.4	173.7	-78	173.2	175.2	171.1	0	112.4	A640 L672 E673 R678 V679 N680	A640-K676 HydrophobicContact CB-CB 3.77Å; A640-K676 HydrophobicContact CB-CD 4.18Å; L672-K676 HydrophobicContact CD2-CD 3.87Å; L672-K676 HydrophobicContact CD2-CG 4.48Å; L672-K676 VanDerWaalsContact CD2-NZ 3.28Å; L672-K676 VanDerWaalsContact O-CG 3.31Å; L672-K676 WeakPolarHBondContact O-CG 3.34Å; L672-K676 PolarHBondContact O-N 2.63Å; E673-K676 PolarHBondContact O-N 3.11Å; E673-K676 VanDerWaalsContact O-N 3.15Å; K676-R678 VanDerWaalsContact C-N 3.27Å; K676-R678 PolarHBondContact O-N 3.38Å; K676-V679 PolarHBondContact O-N 3.15Å; K676-N680 VanDerWaalsContact O-CG 3.32Å; K676-N680 PolarHBondContact O-N 2.69Å; K676-N680 VanDerWaalsContact O-N 3.1Å; K676-N680 PolarHBondContact O-ND2 3.21Å; K676-N680 VanDerWaalsContact O-ND2 3.11Å
677	D	61.1	Low	51.3	Low	2 Å²	2	104.6 Å²	104.6	1%	0.011	49%	0.491	C	S	.	.	H	α-helix	trans	-61.6	-39.5	175.8	-73.9	-9.2	0	0	0	109.9	R591 P639 A640 E673 A674 N680 I681	R591-D677 IonicContact NH1-OD2 2.7Å; R591-D677 PolarHBondContact NH1-OD2 3.29Å; R591-D677 VanDerWaalsContact NH1-OD2 3.15Å; P639-D677 WeakPolarHBondContact CA-OD1 3.24Å; A640-D677 PolarHBondContact N-OD1 2.95Å; E673-D677 PolarHBondContact O-N 3.11Å; A674-D677 PolarHBondContact O-N 3.24Å; D677-N680 PolarHBondContact O-N 2.73Å; D677-I681 WeakPolarHBondContact O-CG1 3.46Å; D677-I681 PolarHBondContact O-N 3.43Å
678	R	61.7	Low	50.2	Low	90 Å²	90	99 Å²	99	34%	0.34	49%	0.485	S	S	.	.	H	α-helix	trans	-60.1	-46	174.2	-74.2	169	-175.5	173.1	-1.8	113.3	A674 E675 K676 N680 I681	A674-R678 VanDerWaalsContact O-CG 3.26Å; A674-R678 WeakPolarHBondContact O-CG 3.37Å; A674-R678 PolarHBondContact O-N 2.92Å; E675-R678 WeakPolarHBondContact O-CB 3.09Å; E675-R678 PolarHBondContact O-N 2.89Å; E675-R678 WeakPolarHBondContact OE2-CD 3.21Å; E675-R678 IonicContact OE2-CZ 3.31Å; E675-R678 IonicContact OE2-NE 3.13Å; E675-R678 IonicContact OE2-NH1 3.72Å; E675-R678 PolarHBondContact OE2-NH1 3.41Å; K676-R678 VanDerWaalsContact C-N 3.27Å; K676-R678 PolarHBondContact O-N 3.38Å; R678-N680 PolarHBondContact O-N 3.47Å; R678-I681 VanDerWaalsContact O-CB 3.31Å; R678-I681 WeakPolarHBondContact O-CB 3.47Å; R678-I681 PolarHBondContact O-N 2.97Å
679	V	55.5	Low	48.9	Very low	112 Å²	112	102.6 Å²	102.6	68%	0.679	51%	0.513	S	S	*	.	H	α-helix	trans	-65.4	-29.1	178.5	176	0	0	0	0	111.7	E675 K676 I681	E675-V679 WeakPolarHBondContact O-CG2 3.5Å; E675-V679 PolarHBondContact O-N 2.98Å; K676-V679 PolarHBondContact O-N 3.15Å; V679-I681 VanDerWaalsContact C-N 3.34Å
680	N	49.2	Very low	47.2	Very low	86 Å²	86	108.4 Å²	108.4	46%	0.46	53%	0.534	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-5.8	178.4	-70.3	-33.9	0	0	0	114	P637 K676 D677 R678 R682	P637-N680 HydrophobicContact CB-CB 4.13Å; P637-N680 HydrophobicContact CG-CB 4.15Å; K676-N680 VanDerWaalsContact O-CG 3.32Å; K676-N680 PolarHBondContact O-N 2.69Å; K676-N680 VanDerWaalsContact O-N 3.1Å; K676-N680 PolarHBondContact O-ND2 3.21Å; K676-N680 VanDerWaalsContact O-ND2 3.11Å; D677-N680 PolarHBondContact O-N 2.73Å; R678-N680 PolarHBondContact O-N 3.47Å; N680-R682 PolarHBondContact O-N 3.36Å
681	I	51	Low	45.7	Very low	28 Å²	28	109.7 Å²	109.7	14%	0.144	56%	0.559	C	S	.	*	S	Bend	trans	-64.9	105.9	165.3	-63.3	164.4	0	0	0	106.4	F634 P637 D677 R678 V679 Q683	F634-I681 HydrophobicContact CD2-CG2 3.61Å; F634-I681 HydrophobicContact CE2-CB 4.2Å; F634-I681 HydrophobicContact CE2-CD1 3.81Å; F634-I681 HydrophobicContact CE2-CG1 3.77Å; F634-I681 HydrophobicContact CE2-CG2 3.35Å; F634-I681 HydrophobicContact CZ-CD1 4.21Å; F634-I681 HydrophobicContact CZ-CG1 4.22Å; F634-I681 HydrophobicContact CZ-CG2 4.49Å; P637-I681 HydrophobicContact CG-CG1 4.43Å; D677-I681 WeakPolarHBondContact O-CG1 3.46Å; D677-I681 PolarHBondContact O-N 3.43Å; R678-I681 VanDerWaalsContact O-CB 3.31Å; R678-I681 WeakPolarHBondContact O-CB 3.47Å; R678-I681 PolarHBondContact O-N 2.97Å; V679-I681 VanDerWaalsContact C-N 3.34Å; I681-Q683 PolarHBondContact O-N 2.97Å
682	R	37	Very low	44.1	Very low	235 Å²	235	111.8 Å²	111.8	89%	0.887	57%	0.566	S	S	*	*			trans	-59.9	114.3	178.1	-77.5	-175.7	174	-177.9	-1.9	109.4	N680	N680-R682 PolarHBondContact O-N 3.36Å
683	Q	28.8	Very low	42.3	Very low	153 Å²	153	112 Å²	112	72%	0.715	58%	0.58	S	S	*	*			trans	-63.4	140.3	163	-70.4	-172.9	-9.3	0	0	109.1	I681 Y685	I681-Q683 PolarHBondContact O-N 2.97Å; Q683-Y685 PolarHBondContact O-N 2.94Å
684	P	32.3	Very low	40.5	Very low	77 Å²	77	118.5 Å²	118.5	50%	0.5	62%	0.62	S	S	.	*			trans	-58.4	137	172.7	-6.8	15.4	0	0	0	109.7	T686	P684-T686 PolarHBondContact O-N 2.99Å
685	Y	24.7	Very low	39.1	Very low	230 Å²	230	125.7 Å²	125.7	90%	0.902	66%	0.655	S	S	*	*			trans	-57.9	111.5	177.8	-132.5	-97.5	0	0	0	109.2	Q683 I687	Q683-Y685 PolarHBondContact O-N 2.94Å; Y685-I687 PolarHBondContact O-N 3.02Å
686	T	26	Very low	37.3	Very low	129 Å²	129	124.7 Å²	124.7	79%	0.791	67%	0.671	S	S	*	*			trans	-70.1	113.8	174	3.4	0	0	0	0	108.6	P684	P684-T686 PolarHBondContact O-N 2.99Å
687	I	27.8	Very low	35.7	Very low	144 Å²	144	123 Å²	123	74%	0.738	69%	0.685	S	S	*	*			trans	-71.4	130.5	170.6	-59.1	174.9	0	0	0	107.5	Y685 V689	Y685-I687 PolarHBondContact O-N 3.02Å; I687-V689 PolarHBondContact O-N 3.13Å; I687-V689 VanDerWaalsContact O-N 3.1Å
688	P	26.1	Very low	34.2	Very low	116 Å²	116	131.7 Å²	131.7	75%	0.753	73%	0.732	S	S	*	*			trans	-66.5	114.9	178.4	25.1	-30.5	0	0	0	109.8	K690	P688-K690 PolarHBondContact O-N 3.42Å; P688-K690 VanDerWaalsContact O-N 3.12Å
689	V	27.9	Very low	32.8	Very low	139 Å²	139	130.7 Å²	130.7	84%	0.842	75%	0.749	S	S	*	*			trans	-61.1	112.9	174.1	178.7	0	0	0	0	108.8	I687 G691	I687-V689 PolarHBondContact O-N 3.13Å; I687-V689 VanDerWaalsContact O-N 3.1Å; V689-G691 PolarHBondContact O-N 3.17Å
690	K	31.5	Very low	31.8	Very low	205 Å²	205	131.5 Å²	131.5	89%	0.891	76%	0.76	S	S	*	*			trans	-69.8	112.5	168.4	-94	-179.2	174.4	177.2	0	109.6	P688	P688-K690 PolarHBondContact O-N 3.42Å; P688-K690 VanDerWaalsContact O-N 3.12Å
691	G	29.1	Very low	30.8	Very low	71 Å²	71	131 Å²	131	73%	0.732	78%	0.775	S	S	*	*			trans	22.8	111.6	155.9	0	0	0	0	0	119.8	V689 A693	V689-G691 PolarHBondContact O-N 3.17Å; G691-A693 PolarHBondContact O-N 3.02Å
692	K	29.7	Very low	29.9	Very low	206 Å²	206	138.4 Å²	138.4	90%	0.896	81%	0.809	S	S	*	*			trans	-67.1	122.5	152.7	-86	-178.6	174	176.5	0	109.2	V694	K692-V694 PolarHBondContact O-N 2.98Å
693	A	31.7	Very low	29.6	Very low	92 Å²	92	134 Å²	134	76%	0.76	80%	0.803	S	S	*	*			trans	-61.2	123.6	164.1	0	0	0	0	0	109.3	G691 L695	G691-A693 PolarHBondContact O-N 3.02Å; A693-L695 PolarHBondContact O-N 2.9Å
694	V	30.7	Very low	29.8	Very low	143 Å²	143	135.1 Å²	135.1	87%	0.867	81%	0.808	S	S	*	*			trans	-79.3	113.3	171.3	176.8	0	0	0	0	107.7	K692	K692-V694 PolarHBondContact O-N 2.98Å
695	L	30.8	Very low	29.8	Very low	173 Å²	173	135.8 Å²	135.8	91%	0.906	82%	0.82	S	S	*	*			trans	-112.9	122.7	165.1	-94.9	159.9	0	0	0	108	A693	A693-L695 PolarHBondContact O-N 2.9Å
696	G	27.8	Very low	30.1	Very low	76 Å²	76	130.2 Å²	130.2	78%	0.784	82%	0.815	S	S	*	*			trans	130.6	107.5	158.1	0	0	0	0	0	114.8
697	G	28.8	Very low	30.5	Very low	77 Å²	77	131.2 Å²	131.2	79%	0.794	81%	0.81	S	S	*	*			trans	166.1	62.3	164.9	0	0	0	0	0	114.9	G699	G697-G699 PolarHBondContact O-N 2.77Å; G697-G699 VanDerWaalsContact O-N 3.11Å
698	N	31.3	Very low	30.9	Very low	184 Å²	184	131.7 Å²	131.7	98%	0.984	81%	0.807	S	S	*	*			trans	-61.1	108.1	161.7	-92.2	-12.8	0	0	0	108.8
699	G	30.8	Very low	31.4	Very low	69 Å²	69	137 Å²	137	71%	0.711	83%	0.829	S	S	*	*			trans	-130.6	113.5	169.7	0	0	0	0	0	108.7	G697	G697-G699 PolarHBondContact O-N 2.77Å; G697-G699 VanDerWaalsContact O-N 3.11Å
700	S	34.1	Very low	31.6	Very low	129 Å²	129	137 Å²	137	90%	0.902	83%	0.829	S	S	*	*			trans	-44.8	133.1	175.9	48.4	0	0	0	0	114.5
701	G	29.7	Very low	31.6	Very low	75 Å²	75	133.4 Å²	133.4	77%	0.773	83%	0.826	S	S	*	*			trans	-158.8	88.3	167.1	0	0	0	0	0	110.5
702	E	32.2	Very low	31.7	Very low	184 Å²	184	136.8 Å²	136.8	86%	0.86	83%	0.831	S	S	*	*			trans	-67.8	122	151.9	-72.2	175.9	148.1	0	0	107.5
703	D	30.6	Very low	31.8	Very low	143 Å²	143	132.8 Å²	132.8	77%	0.765	83%	0.827	S	S	*	*				164.5	125.1	121.3	-88.1	-23	0	0	0	113.1
704	E	31.8	Very low	31.8	Very low	176 Å²	176	135.3 Å²	135.3	82%	0.822	83%	0.831	S	S	*	*			trans	55.5	108.1	140.1	-64.3	-167.8	149.1	0	0	123
705	A	32.8	Very low	31.9	Very low	91 Å²	91	134.8 Å²	134.8	75%	0.752	83%	0.829	S	S	*	*				83.5	142.7	111	0	0	0	0	0	122.9
706	S	30.3	Very low	32	Very low	112 Å²	112	132.1 Å²	132.1	78%	0.783	82%	0.823	S	S	*	*			trans	83.4	101.9	160.7	75	0	0	0	0	117
707	E	35.1	Very low	32.3	Very low	150 Å²	150	136.4 Å²	136.4	70%	0.701	83%	0.826	S	S	*	*				82.8	123.2	77.9	-95.8	-156.6	152.3	0	0	115.2
708	K	36.4	Very low	32.6	Very low	155 Å²	155	141.3 Å²	141.3	67%	0.674	83%	0.829	S	S	*	*			trans	73.6	130	148.5	-65.5	166.1	179.4	147.4	0	116.2
709	N	36.4	Very low	32.7	Very low	228 Å²	228	137.5 Å²	137.5	100%	1.219	82%	0.815	S	S	*	*			cis	-149.2	0	18.4	-101.4	-20.2	0	0	0	109.7

Retrieved 709 of 709 residues in 1220.8 ms (Link to these results)

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