A0A087X6J0_POEFO Loading...

Phosphoenolpyruvate carboxykinase, cytosolic [GTP]

AlphaFold DB , UniProt , Accession A0A087X6J0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 637 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	A	38.1	Very low	33.3	Very low	144 Å²	144	143.5 Å²	143.5	100%	1.19	82%	0.822	S	S	*	*				0	80.4	0	0	0	0	0	0	107.5
2	V	35.1	Very low	33.2	Very low	135 Å²	135	148.4 Å²	148.4	82%	0.818	83%	0.828	S	S	*	*				62.6	82	90.6	-173.1	0	0	0	0	110
3	Y	31.1	Very low	33.1	Very low	224 Å²	224	146 Å²	146	88%	0.878	82%	0.819	S	S	*	*				76.5	111.8	91.8	-88.8	-76.2	0	0	0	115.2
4	R	37.8	Very low	33	Very low	239 Å²	239	148.2 Å²	148.2	90%	0.902	82%	0.823	S	S	*	*			trans	-64.9	144.7	156.7	-77.2	177.9	173	177.4	-2.5	109.8
5	L	30.9	Very low	33.3	Very low	169 Å²	169	146.1 Å²	146.1	89%	0.885	82%	0.818	S	S	*	*			trans	-154.5	138.4	150	-98.7	167.6	0	0	0	110.4
6	A	35.7	Very low	33.7	Very low	89 Å²	89	144.3 Å²	144.3	74%	0.736	82%	0.815	S	S	*	*			trans	-102	144.4	169.7	0	0	0	0	0	108.7
7	V	30.8	Very low	34.2	Very low	134 Å²	134	146.3 Å²	146.3	81%	0.812	82%	0.816	S	S	*	*			trans	-152.7	125.1	159.3	-175.7	0	0	0	0	111.9
8	S	30.8	Very low	34.2	Very low	88 Å²	88	147.6 Å²	147.6	62%	0.615	82%	0.819	S	S	*	*			trans	8.7	149.9	146.4	-168.6	0	0	0	0	123.5
9	P	32.3	Very low	34.7	Very low	123 Å²	123	148.1 Å²	148.1	80%	0.799	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-81.5	125.2	164.4	33.3	-29.3	0	0	0	111.6
10	D	30.3	Very low	35.1	Very low	136 Å²	136	146 Å²	146	73%	0.727	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-89.8	127.9	174.5	-82.3	-29.9	0	0	0	112.1
11	S	33.9	Very low	35.1	Very low	97 Å²	97	148 Å²	148	68%	0.678	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-48.8	124.8	163.3	50.2	0	0	0	0	112.8
12	F	31.9	Very low	34.9	Very low	203 Å²	203	149 Å²	149	89%	0.89	80%	0.799	S	S	*	*			trans	-99.4	110.5	157.8	-88.5	-84.4	0	0	0	110.1
13	T	31.3	Very low	35.2	Very low	117 Å²	117	151.5 Å²	151.5	72%	0.718	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-57.4	139.3	174.9	37.4	0	0	0	0	112.4
14	M	31.9	Very low	36.1	Very low	177 Å²	177	146.3 Å²	146.3	87%	0.872	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-59	132.9	165	-71	-166.2	-63.4	0	0	109.5
15	P	37.5	Very low	37.6	Very low	116 Å²	116	137.8 Å²	137.8	75%	0.753	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-69.6	141.4	171	27.4	-29.9	0	0	0	110
16	P	39.5	Very low	40.3	Very low	118 Å²	118	132.4 Å²	132.4	77%	0.766	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-67.6	138	-177.5	26.2	-31.9	0	0	0	111.3	I18	P16-I18 PolarHBondContact O-N 3.37Å
17	Q	42.3	Very low	43.2	Very low	178 Å²	178	136 Å²	136	83%	0.832	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-55.1	117.1	169.5	-73.5	174.8	-20.2	0	0	110	Q19	Q17-Q19 PolarHBondContact O-N 2.99Å
18	I	33.8	Very low	46.3	Very low	170 Å²	170	132.3 Å²	132.3	87%	0.872	73%	0.729	S	S	*	*			trans	-85	97.5	163.4	-61.8	177.1	0	0	0	106.8	P16	P16-I18 PolarHBondContact O-N 3.37Å
19	Q	44.6	Very low	49.5	Very low	157 Å²	157	131.9 Å²	131.9	73%	0.734	72%	0.72	S	S	*	*			trans	-74.1	121.6	160.5	-80.9	-177.6	-10.3	0	0	109.1	Q17	Q17-Q19 PolarHBondContact O-N 2.99Å
20	S	42.7	Very low	52.5	Low	105 Å²	105	128.5 Å²	128.5	73%	0.734	69%	0.693	S	S	*	*				160.3	108.1	113	57.9	0	0	0	0	111.1
21	Q	34.1	Very low	55.6	Low	189 Å²	189	124.1 Å²	124.1	88%	0.883	68%	0.68	S	S	*	*	S	Bend	trans	-143.8	104.6	140.5	-71.4	-164.6	-11.1	0	0	107.1	Q23	Q21-Q23 PolarHBondContact O-N 3.04Å
22	N	35.5	Very low	58.5	Low	165 Å²	165	125.8 Å²	125.8	88%	0.882	68%	0.677	S	S	*	*			trans	38.7	74.5	166.2	-70.5	-11.4	0	0	0	117.7	S24	N22-S24 PolarHBondContact O-N 3.13Å
23	Q	40.7	Very low	61.4	Low	187 Å²	187	117.6 Å²	117.6	87%	0.874	64%	0.643	S	S	*	*			trans	-84	90.6	154.8	-79.9	-175.5	-8.9	0	0	108.7	Q21 G25	Q21-Q23 PolarHBondContact O-N 3.04Å; Q23-G25 VanDerWaalsContact C-N 3.3Å; Q23-G25 PolarHBondContact O-N 3.49Å
24	S	49.9	Very low	64.4	Low	115 Å²	115	116.1 Å²	116.1	80%	0.804	64%	0.637	S	S	*	*			trans	-58.2	106.7	145.3	52.6	0	0	0	0	105.5	N22 L26	N22-S24 PolarHBondContact O-N 3.13Å; S24-L26 PolarHBondContact O-N 2.91Å
25	G	69.7	Low	67.4	Low	61 Å²	61	111.5 Å²	111.5	63%	0.629	63%	0.627	S	S	*	*			trans	-51.1	140	-176.2	0	0	0	0	0	111	Q23 R27	Q23-G25 VanDerWaalsContact C-N 3.3Å; Q23-G25 PolarHBondContact O-N 3.49Å; G25-R27 PolarHBondContact O-N 3.36Å; G25-R27 VanDerWaalsContact O-N 3.16Å
26	L	87.4	Confident	70.2	Confident	55 Å²	55	106.8 Å²	106.8	29%	0.288	60%	0.595	S	S	.	*			trans	-49.4	123.1	176.1	178.3	72.4	0	0	0	109.5	S24 V28 L33 V48 P53 L56	S24-L26 PolarHBondContact O-N 2.91Å; L26-V28 PolarHBondContact O-N 3.34Å; L26-V28 VanDerWaalsContact O-N 3.15Å; L26-L33 HydrophobicContact CD2-CD1 4.48Å; L26-V48 HydrophobicContact CD1-CG1 3.97Å; L26-V48 HydrophobicContact CD2-CB 4.41Å; L26-V48 HydrophobicContact CD2-CG1 3.74Å; L26-V48 HydrophobicContact CD2-CG2 3.81Å; L26-V48 HydrophobicContact CG-CG1 4.37Å; L26-P53 HydrophobicContact CD1-CG 4.22Å; L26-L56 HydrophobicContact CD2-CB 3.82Å; L26-L56 HydrophobicContact CD2-CD2 4.15Å; L26-L56 HydrophobicContact CD2-CG 4.43Å; L26-L56 HydrophobicContact CG-CB 4.24Å
27	R	95.4	Very high	72.9	Confident	165 Å²	165	102.1 Å²	102.1	62%	0.623	57%	0.566	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-74.7	105.7	-178.8	-176.9	-178.9	176.8	-168.5	-3.3	109.9	G25 L29 S55 L56	G25-R27 PolarHBondContact O-N 3.36Å; G25-R27 VanDerWaalsContact O-N 3.16Å; R27-L29 HydrophobicContact CG-CD2 3.96Å; R27-S55 CarbonylContact O-C 3.54Å; R27-S55 WeakPolarHBondContact O-CA 3.36Å; R27-S55 WeakPolarHBondContact O-CB 3.5Å; R27-L56 PolarHBondContact O-N 3.09Å
28	V	96.7	Very high	75.6	Confident	57 Å²	57	98.3 Å²	98.3	35%	0.345	56%	0.556	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-85	114.9	172.4	-172.4	0	0	0	0	108.9	L26 Q30 G31 L33 L56	L26-V28 PolarHBondContact O-N 3.34Å; L26-V28 VanDerWaalsContact O-N 3.15Å; V28-Q30 WeakPolarHBondContact CG1-O 3.44Å; V28-G31 VanDerWaalsContact CG1-O 3.28Å; V28-G31 WeakPolarHBondContact CG1-O 3.11Å; V28-L33 HydrophobicContact CG2-CD1 4.35Å; V28-L56 CarbonylContact C-O 3.54Å; V28-L56 WeakPolarHBondContact CA-O 3.38Å; V28-L56 HydrophobicContact CG2-CB 4.41Å; V28-L56 HydrophobicContact CG2-CD2 4.37Å
29	L	96.9	Very high	78.6	Confident	79 Å²	79	91.9 Å²	91.9	41%	0.414	53%	0.528	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	-33.6	-178.9	-59.2	177.9	0	0	0	112.2	R27 L56 T152	R27-L29 HydrophobicContact CG-CD2 3.96Å; L29-L56 PolarHBondContact N-O 3.48Å; L29-T152 HydrophobicContact CD1-CG2 4.03Å
30	Q	97.1	Very high	81.2	Confident	52 Å²	52	84.4 Å²	84.4	24%	0.243	49%	0.493	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	141.3	-178.5	-169.9	176.4	-58.4	0	0	111.1	V28 H57 I58 E65	V28-Q30 WeakPolarHBondContact CG1-O 3.44Å; Q30-H57 VanDerWaalsContact CD-CE1 3.48Å; Q30-H57 PolarHBondContact NE2-NE2 2.86Å; Q30-H57 PolarHBondContact OE1-CE1 2.96Å; Q30-H57 PolarHBondContact OE1-NE2 3.25Å; Q30-I58 PolarHBondContact NE2-O 3.4Å; Q30-I58 PolarHBondContact O-N 3.46Å; Q30-E65 PolarHBondContact NE2-OE1 3.23Å
31	G	95.6	Very high	83.9	Confident	44 Å²	44	84 Å²	84	45%	0.454	48%	0.476	S	S	.	.	S	Bend	trans	77.6	-178.2	-178.6	0	0	0	0	0	113.7	V28	V28-G31 VanDerWaalsContact CG1-O 3.28Å; V28-G31 WeakPolarHBondContact CG1-O 3.11Å
32	E	94.3	Very high	86.9	Confident	132 Å²	132	81 Å²	81	62%	0.617	46%	0.462	S	S	*	.			trans	-130.9	123.1	-178.4	-65.7	-177.5	-176.3	0	0	110.6	S34 A35	E32-S34 PolarHBondContact O-N 2.88Å; E32-A35 HydrophobicContact CB-CB 4.08Å; E32-A35 WeakPolarHBondContact O-CB 3.49Å; E32-A35 PolarHBondContact O-N 3.47Å
33	L	93.4	Very high	89.9	Confident	31 Å²	31	73.8 Å²	73.8	16%	0.162	42%	0.423	C	S	.	.	G	3₁₀ helix	trans	-59.4	-34.2	176.6	-81.2	173.2	0	0	0	112.6	L26 V28 A35 L36 V44 L56 I58	L26-L33 HydrophobicContact CD2-CD1 4.48Å; V28-L33 HydrophobicContact CG2-CD1 4.35Å; L33-A35 PolarHBondContact O-N 3.41Å; L33-L36 HydrophobicContact CD2-CD1 3.88Å; L33-L36 WeakPolarHBondContact O-CB 3.33Å; L33-L36 PolarHBondContact O-N 3.38Å; L33-V44 HydrophobicContact CD2-CB 4.32Å; L33-V44 HydrophobicContact CD2-CG1 3.73Å; L33-L56 HydrophobicContact CD1-CD2 3.94Å; L33-L56 HydrophobicContact CD2-CD2 3.48Å; L33-L56 VanDerWaalsContact CD2-CD2 3.48Å; L33-L56 HydrophobicContact CG-CD2 3.71Å; L33-I58 HydrophobicContact CD2-CD1 4.46Å
34	S	93.3	Very high	92.7	Very high	86 Å²	86	64.9 Å²	64.9	60%	0.601	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-67.4	-20.5	177.2	43.2	0	0	0	0	113.7	E32	E32-S34 PolarHBondContact O-N 2.88Å
35	A	94.6	Very high	95	Very high	79 Å²	79	62.9 Å²	62.9	65%	0.653	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-86.1	-11.2	177.8	0	0	0	0	0	112.9	E32 L33	E32-A35 HydrophobicContact CB-CB 4.08Å; E32-A35 WeakPolarHBondContact O-CB 3.49Å; E32-A35 PolarHBondContact O-N 3.47Å; L33-A35 PolarHBondContact O-N 3.41Å
36	L	96.9	Very high	96.3	Very high	17 Å²	17	63.8 Å²	63.8	9%	0.089	35%	0.353	C	S	.	.	S	Bend	trans	-75.7	147.7	174.9	-60.3	176.6	0	0	0	110.5	L33 V40 R41 V44 I58 L195	L33-L36 HydrophobicContact CD2-CD1 3.88Å; L33-L36 WeakPolarHBondContact O-CB 3.33Å; L33-L36 PolarHBondContact O-N 3.38Å; L36-V40 HydrophobicContact CB-CB 4.37Å; L36-V40 HydrophobicContact CB-CG1 4.34Å; L36-V40 HydrophobicContact CD1-CG1 4.14Å; L36-V40 HydrophobicContact CD2-CG1 4.22Å; L36-V40 HydrophobicContact CG-CG1 4.47Å; L36-R41 HydrophobicContact CB-CB 4.14Å; L36-V44 HydrophobicContact CD1-CG2 4.26Å; L36-I58 HydrophobicContact CD1-CD1 3.92Å; L36-I58 HydrophobicContact CD2-CD1 4.41Å; L36-I58 HydrophobicContact CD2-CG2 4.31Å; L36-I58 HydrophobicContact CG-CD1 4.22Å; L36-L195 HydrophobicContact CD2-CD1 4.04Å; L36-L195 HydrophobicContact CD2-CD2 4.08Å
37	S	97.1	Very high	96.9	Very high	21 Å²	21	61.8 Å²	61.8	15%	0.147	34%	0.342	C	S	.	.			trans	-62.1	153	171.7	63.2	0	0	0	0	111	A39 V40 R41 G199 N200	S37-A39 VanDerWaalsContact C-N 3.26Å; S37-A39 PolarHBondContact O-N 2.89Å; S37-A39 VanDerWaalsContact O-N 3.14Å; S37-V40 PolarHBondContact O-N 3.21Å; S37-V40 WeakPolarHBondContact OG-CG2 3.35Å; S37-R41 WeakPolarHBondContact O-CB 3.49Å; S37-R41 PolarHBondContact O-N 2.7Å; S37-G199 WeakPolarHBondContact CB-O 3.46Å; S37-G199 PolarHBondContact OG-O 2.87Å; S37-N200 WeakPolarHBondContact CB-OD1 3.14Å
38	P	97.9	Very high	97	Very high	97 Å²	97	55.1 Å²	55.1	63%	0.63	32%	0.32	S	S	*	.	H	α-helix	trans	-52	-42.5	-173.7	-29.6	35.9	0	0	0	113.8	R41 E42	P38-R41 PolarHBondContact O-N 3.07Å; P38-E42 WeakPolarHBondContact O-CB 3.46Å; P38-E42 PolarHBondContact O-N 3.48Å
39	A	97.9	Very high	97.1	Very high	35 Å²	35	57.6 Å²	57.6	29%	0.289	34%	0.335	S	S	.	.	H	α-helix	trans	-69.4	-36.8	-179	0	0	0	0	0	113.4	S37 F43 F203	S37-A39 VanDerWaalsContact C-N 3.26Å; S37-A39 PolarHBondContact O-N 2.89Å; S37-A39 VanDerWaalsContact O-N 3.14Å; A39-F43 WeakPolarHBondContact O-CB 3.15Å; A39-F43 PolarHBondContact O-N 3.22Å; A39-F43 VanDerWaalsContact O-N 3.17Å; A39-F203 HydrophobicContact CB-CE1 3.95Å
40	V	98.4	Very high	97.2	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-70.9	-43.9	175.5	179	0	0	0	0	109.7	L36 S37 F43 V44 V172 L198 F203	L36-V40 HydrophobicContact CB-CB 4.37Å; L36-V40 HydrophobicContact CB-CG1 4.34Å; L36-V40 HydrophobicContact CD1-CG1 4.14Å; L36-V40 HydrophobicContact CD2-CG1 4.22Å; L36-V40 HydrophobicContact CG-CG1 4.47Å; S37-V40 PolarHBondContact O-N 3.21Å; S37-V40 WeakPolarHBondContact OG-CG2 3.35Å; V40-F43 PolarHBondContact O-N 3.42Å; V40-V44 HydrophobicContact CG1-CG2 4.49Å; V40-V44 WeakPolarHBondContact O-CG2 3.15Å; V40-V44 PolarHBondContact O-N 3.35Å; V40-V172 HydrophobicContact CG1-CG1 4.36Å; V40-V172 HydrophobicContact CG1-CG2 4.28Å; V40-V172 HydrophobicContact CG2-CG2 4.28Å; V40-L198 HydrophobicContact CG2-CD2 3.64Å; V40-F203 HydrophobicContact CB-CZ 4.43Å; V40-F203 HydrophobicContact CG2-CD1 4.09Å; V40-F203 HydrophobicContact CG2-CE1 3.64Å; V40-F203 HydrophobicContact CG2-CZ 3.89Å
41	R	98.3	Very high	97.3	Very high	96 Å²	96	54 Å²	54	36%	0.362	32%	0.318	S	S	.	.	H	α-helix	trans	-58.7	-49	177	-177.4	178.6	174.1	165.1	2.5	111.8	L36 S37 P38 F43 V44 E45	L36-R41 HydrophobicContact CB-CB 4.14Å; S37-R41 WeakPolarHBondContact O-CB 3.49Å; S37-R41 PolarHBondContact O-N 2.7Å; P38-R41 PolarHBondContact O-N 3.07Å; R41-F43 VanDerWaalsContact C-N 3.31Å; R41-F43 PolarHBondContact O-N 3.21Å; R41-V44 PolarHBondContact O-N 3.32Å; R41-V44 VanDerWaalsContact O-N 3.16Å; R41-E45 HydrophobicContact CG-CG 4.24Å; R41-E45 IonicContact CZ-OE1 3.81Å; R41-E45 IonicContact NE-OE1 3.44Å; R41-E45 PolarHBondContact NE-OE1 2.51Å; R41-E45 IonicContact NE-OE2 2.85Å; R41-E45 IonicContact NH2-OE1 3.63Å; R41-E45 PolarHBondContact NH2-OE1 2.88Å; R41-E45 WeakPolarHBondContact O-CB 3.44Å; R41-E45 WeakPolarHBondContact O-CG 3.27Å; R41-E45 PolarHBondContact O-N 3.45Å
42	E	98.3	Very high	97.4	Very high	127 Å²	127	56.6 Å²	56.6	59%	0.593	32%	0.318	S	S	*	.	H	α-helix	trans	-59.7	-42.4	177.6	-178.9	-175.2	-176.6	0	0	111.7	P38 V44 T46	P38-E42 WeakPolarHBondContact O-CB 3.46Å; P38-E42 PolarHBondContact O-N 3.48Å; E42-V44 VanDerWaalsContact C-N 3.34Å; E42-V44 PolarHBondContact O-N 3.49Å; E42-T46 WeakPolarHBondContact O-CB 3.12Å; E42-T46 PolarHBondContact O-N 3.14Å; E42-T46 PolarHBondContact O-OG1 2.89Å
43	F	98.6	Very high	97.6	Very high	14 Å²	14	50.9 Å²	50.9	6%	0.061	29%	0.292	C	S	.	.	H	α-helix	trans	-61.5	-42.9	175.9	174.8	-122.2	0	0	0	111.7	A39 V40 R41 N47 V172 L174 F203 R205	A39-F43 WeakPolarHBondContact O-CB 3.15Å; A39-F43 PolarHBondContact O-N 3.22Å; A39-F43 VanDerWaalsContact O-N 3.17Å; V40-F43 PolarHBondContact O-N 3.42Å; R41-F43 VanDerWaalsContact C-N 3.31Å; R41-F43 PolarHBondContact O-N 3.21Å; F43-N47 VanDerWaalsContact CD2-ND2 3.28Å; F43-N47 WeakPolarHBondContact CD2-ND2 3.36Å; F43-N47 WeakPolarHBondContact CE2-ND2 3.46Å; F43-N47 PolarHBondContact O-N 2.62Å; F43-N47 PolarHBondContact O-ND2 3.05Å; F43-V172 HydrophobicContact CD1-CB 4.47Å; F43-V172 HydrophobicContact CD1-CG1 4.29Å; F43-V172 HydrophobicContact CE1-CB 4.35Å; F43-V172 HydrophobicContact CE1-CG1 4.23Å; F43-L174 HydrophobicContact CD1-CD1 4.06Å; F43-L174 HydrophobicContact CD1-CG 4.26Å; F43-L174 HydrophobicContact CE1-CD1 3.66Å; F43-L174 HydrophobicContact CE1-CD2 4.17Å; F43-L174 HydrophobicContact CE1-CG 3.57Å; F43-L174 HydrophobicContact CE2-CD1 4.26Å; F43-L174 HydrophobicContact CZ-CD1 3.75Å; F43-L174 HydrophobicContact CZ-CG 3.9Å; F43-F203 HydrophobicContact CB-CE2 4.44Å; F43-F203 HydrophobicContact CB-CZ 4.16Å; F43-F203 AromaticContact CD1-CE2 3.88Å; F43-F203 HydrophobicContact CD1-CE2 3.88Å; F43-F203 HydrophobicContact CD1-CZ 4.41Å; F43-F203 HydrophobicContact CE1-CE2 4.47Å; F43-F203 HydrophobicContact CG-CE2 4.28Å; F43-F203 HydrophobicContact CG-CZ 4.49Å; F43-R205 HydrophobicContact CD1-CG 4.34Å; F43-R205 HydrophobicContact CD2-CB 4.06Å; F43-R205 HydrophobicContact CD2-CG 3.82Å; F43-R205 HydrophobicContact CE1-CB 4.28Å; F43-R205 HydrophobicContact CE1-CG 4.42Å; F43-R205 HydrophobicContact CE2-CB 3.63Å; F43-R205 HydrophobicContact CE2-CG 3.94Å; F43-R205 HydrophobicContact CG-CG 4.04Å; F43-R205 HydrophobicContact CZ-CB 3.76Å; F43-R205 HydrophobicContact CZ-CG 4.25Å
44	V	98.7	Very high	97.9	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-65.7	-53.4	175.9	175.3	0	0	0	0	111	L33 L36 V40 R41 E42 T46 N47 V48 L56 V155 L174	L33-V44 HydrophobicContact CD2-CB 4.32Å; L33-V44 HydrophobicContact CD2-CG1 3.73Å; L36-V44 HydrophobicContact CD1-CG2 4.26Å; V40-V44 HydrophobicContact CG1-CG2 4.49Å; V40-V44 WeakPolarHBondContact O-CG2 3.15Å; V40-V44 PolarHBondContact O-N 3.35Å; R41-V44 PolarHBondContact O-N 3.32Å; R41-V44 VanDerWaalsContact O-N 3.16Å; E42-V44 VanDerWaalsContact C-N 3.34Å; E42-V44 PolarHBondContact O-N 3.49Å; V44-T46 VanDerWaalsContact C-N 3.33Å; V44-T46 PolarHBondContact O-N 3.35Å; V44-N47 CarbonylContact O-C 3.5Å; V44-N47 PolarHBondContact O-N 3.25Å; V44-N47 VanDerWaalsContact O-N 3.1Å; V44-V48 HydrophobicContact CG1-CG2 4.09Å; V44-V48 WeakPolarHBondContact O-CG2 3.34Å; V44-V48 PolarHBondContact O-N 2.97Å; V44-L56 HydrophobicContact CG1-CD1 3.83Å; V44-L56 HydrophobicContact CG1-CD2 3.96Å; V44-V155 HydrophobicContact CG1-CG2 4.14Å; V44-V155 HydrophobicContact CG2-CG1 3.9Å; V44-V155 HydrophobicContact CG2-CG2 3.89Å; V44-L174 HydrophobicContact CG2-CD2 3.92Å
45	E	98.3	Very high	98.1	Very high	72 Å²	72	51.4 Å²	51.4	34%	0.336	29%	0.285	S	S	.	.	H	α-helix	trans	-61.7	-39.6	-175.2	-73.9	177.2	163.3	0	0	112.4	R41 N47 V48 T49	R41-E45 HydrophobicContact CG-CG 4.24Å; R41-E45 IonicContact CZ-OE1 3.81Å; R41-E45 IonicContact NE-OE1 3.44Å; R41-E45 PolarHBondContact NE-OE1 2.51Å; R41-E45 IonicContact NE-OE2 2.85Å; R41-E45 IonicContact NH2-OE1 3.63Å; R41-E45 PolarHBondContact NH2-OE1 2.88Å; R41-E45 WeakPolarHBondContact O-CB 3.44Å; R41-E45 WeakPolarHBondContact O-CG 3.27Å; R41-E45 PolarHBondContact O-N 3.45Å; E45-N47 VanDerWaalsContact C-N 3.33Å; E45-N47 PolarHBondContact O-N 3.38Å; E45-V48 PolarHBondContact O-N 3.43Å; E45-T49 PolarHBondContact O-N 3.06Å; E45-T49 PolarHBondContact O-OG1 2.71Å
46	T	98.3	Very high	98.3	Very high	81 Å²	81	47.6 Å²	47.6	50%	0.497	25%	0.254	S	S	.	.	H	α-helix	trans	-60.7	-44.5	174.8	-63.9	0	0	0	0	111	E42 V44 T49 L50	E42-T46 WeakPolarHBondContact O-CB 3.12Å; E42-T46 PolarHBondContact O-N 3.14Å; E42-T46 PolarHBondContact O-OG1 2.89Å; V44-T46 VanDerWaalsContact C-N 3.33Å; V44-T46 PolarHBondContact O-N 3.35Å; T46-T49 WeakPolarHBondContact O-CB 3.39Å; T46-T49 PolarHBondContact O-N 3.31Å; T46-L50 PolarHBondContact O-N 2.83Å
47	N	98.8	Very high	98.4	Very high	13 Å²	13	47.8 Å²	47.8	7%	0.07	25%	0.254	C	S	.	.	H	α-helix	trans	-79.2	-27.8	-178.2	-75.6	-69.5	0	0	0	113.2	F43 V44 E45 T49 L50 C51 M153 L174 L207	F43-N47 VanDerWaalsContact CD2-ND2 3.28Å; F43-N47 WeakPolarHBondContact CD2-ND2 3.36Å; F43-N47 WeakPolarHBondContact CE2-ND2 3.46Å; F43-N47 PolarHBondContact O-N 2.62Å; F43-N47 PolarHBondContact O-ND2 3.05Å; V44-N47 CarbonylContact O-C 3.5Å; V44-N47 PolarHBondContact O-N 3.25Å; V44-N47 VanDerWaalsContact O-N 3.1Å; E45-N47 VanDerWaalsContact C-N 3.33Å; E45-N47 PolarHBondContact O-N 3.38Å; N47-T49 VanDerWaalsContact C-N 3.32Å; N47-L50 PolarHBondContact O-N 2.66Å; N47-C51 WeakPolarHBondContact O-CB 3.26Å; N47-C51 PolarHBondContact O-N 2.71Å; N47-C51 PolarHBondContact O-SG 3.06Å; N47-M153 HydrophobicContact CB-CE 4.2Å; N47-L174 HydrophobicContact CB-CD1 3.46Å; N47-L174 VanDerWaalsContact CB-CD1 3.46Å; N47-L207 HydrophobicContact CB-CD1 4.17Å; N47-L207 VanDerWaalsContact OD1-CD2 3.24Å; N47-L207 WeakPolarHBondContact OD1-CD2 3.17Å
48	V	98.7	Very high	98.5	Very high	25 Å²	25	47.2 Å²	47.2	15%	0.152	25%	0.25	C	C	.	.	H	α-helix	trans	-59.5	-46.8	166.8	166	0	0	0	0	109.7	L26 V44 E45 L50 Q52 P53 L56 M153	L26-V48 HydrophobicContact CD1-CG1 3.97Å; L26-V48 HydrophobicContact CD2-CB 4.41Å; L26-V48 HydrophobicContact CD2-CG1 3.74Å; L26-V48 HydrophobicContact CD2-CG2 3.81Å; L26-V48 HydrophobicContact CG-CG1 4.37Å; V44-V48 HydrophobicContact CG1-CG2 4.09Å; V44-V48 WeakPolarHBondContact O-CG2 3.34Å; V44-V48 PolarHBondContact O-N 2.97Å; E45-V48 PolarHBondContact O-N 3.43Å; V48-L50 VanDerWaalsContact C-N 3.34Å; V48-L50 PolarHBondContact O-N 3.07Å; V48-Q52 WeakPolarHBondContact O-CA 3.46Å; V48-Q52 PolarHBondContact O-N 2.77Å; V48-P53 HydrophobicContact CB-CG 4.45Å; V48-P53 HydrophobicContact CG1-CG 4.28Å; V48-P53 HydrophobicContact CG2-CG 4.17Å; V48-P53 WeakPolarHBondContact O-CD 3.29Å; V48-L56 HydrophobicContact CG2-CD1 4.13Å; V48-M153 HydrophobicContact CG2-SD 3.93Å
49	T	98.4	Very high	98.5	Very high	109 Å²	109	42.7 Å²	42.7	67%	0.669	22%	0.22	S	C	*	.	H	α-helix	trans	-61.1	-44	178.6	-57.7	0	0	0	0	111.4	E45 T46 N47	E45-T49 PolarHBondContact O-N 3.06Å; E45-T49 PolarHBondContact O-OG1 2.71Å; T46-T49 WeakPolarHBondContact O-CB 3.39Å; T46-T49 PolarHBondContact O-N 3.31Å; N47-T49 VanDerWaalsContact C-N 3.32Å
50	L	98.6	Very high	98.5	Very high	56 Å²	56	44.2 Å²	44.2	29%	0.293	22%	0.223	S	C	.	.	H	α-helix	trans	-67.2	-52.3	178.6	178.3	61.2	0	0	0	112.5	T46 N47 V48 M140 F144 P145 G146	T46-L50 PolarHBondContact O-N 2.83Å; N47-L50 PolarHBondContact O-N 2.66Å; V48-L50 VanDerWaalsContact C-N 3.34Å; V48-L50 PolarHBondContact O-N 3.07Å; L50-M140 HydrophobicContact CD2-CE 4.38Å; L50-F144 HydrophobicContact CD1-CB 4.28Å; L50-F144 HydrophobicContact CD2-CB 3.81Å; L50-F144 HydrophobicContact CG-CB 3.97Å; L50-P145 HydrophobicContact CD1-CG 3.97Å; L50-P145 CarbonylContact O-C 3.49Å; L50-P145 VanDerWaalsContact O-CA 3.31Å; L50-P145 WeakPolarHBondContact O-CA 3.47Å; L50-G146 PolarHBondContact O-N 3.43Å
51	C	98.8	Very high	98.5	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-88.4	-17.9	-167.2	-56.1	0	0	0	0	113.4	N47 G146 C147 M148 M153	N47-C51 WeakPolarHBondContact O-CB 3.26Å; N47-C51 PolarHBondContact O-N 2.71Å; N47-C51 PolarHBondContact O-SG 3.06Å; C51-G146 CarbonylContact O-C 3.48Å; C51-G146 VanDerWaalsContact O-CA 3.24Å; C51-G146 WeakPolarHBondContact O-CA 3.27Å; C51-C147 PolarHBondContact O-N 3.22Å; C51-M148 HydrophobicContact CB-CB 4Å; C51-M148 HydrophobicContact CB-CE 4.47Å; C51-M148 HydrophobicContact CB-CG 3.75Å; C51-M148 HydrophobicContact CB-SD 3.84Å; C51-M148 PolarHBondContact O-N 2.91Å; C51-M153 HydrophobicContact CB-CE 3.83Å
52	Q	98.6	Very high	98.5	Very high	98 Å²	98	42.1 Å²	42.1	46%	0.458	23%	0.225	S	C	.	.			trans	52.3	52.9	179.8	-52.6	-176.3	-24.5	0	0	114.1	V48 K149	V48-Q52 WeakPolarHBondContact O-CA 3.46Å; V48-Q52 PolarHBondContact O-N 2.77Å; Q52-K149 HydrophobicContact CB-CG 4.12Å; Q52-K149 VanDerWaalsContact O-CA 3.31Å; Q52-K149 WeakPolarHBondContact O-CA 3.33Å; Q52-K149 PolarHBondContact O-N 3.2Å
53	P	98.7	Very high	98.4	Very high	11 Å²	11	40.8 Å²	40.8	7%	0.071	22%	0.223	C	C	.	.			trans	-64.8	152	173.6	32.6	-35.9	0	0	0	111.2	L26 V48 M148 R151 M153	L26-P53 HydrophobicContact CD1-CG 4.22Å; V48-P53 HydrophobicContact CB-CG 4.45Å; V48-P53 HydrophobicContact CG1-CG 4.28Å; V48-P53 HydrophobicContact CG2-CG 4.17Å; V48-P53 WeakPolarHBondContact O-CD 3.29Å; P53-M148 WeakPolarHBondContact CA-O 3.38Å; P53-M148 HydrophobicContact CB-CB 4.01Å; P53-R151 WeakPolarHBondContact CB-O 3.42Å; P53-M153 HydrophobicContact CB-CB 3.71Å; P53-M153 HydrophobicContact CG-CB 3.8Å; P53-M153 HydrophobicContact CG-CE 4.11Å; P53-M153 HydrophobicContact CG-SD 4.45Å
54	E	98.4	Very high	98.4	Very high	120 Å²	120	47.1 Å²	47.1	56%	0.561	25%	0.252	S	S	*	.	S	Bend	trans	-73.9	-33.4	174	179.4	176.9	179.8	0	0	111.5	G150 R151	E54-G150 WeakPolarHBondContact OE2-CA 3.36Å; E54-R151 PolarHBondContact N-O 3.01Å
55	S	98.4	Very high	98.4	Very high	8 Å²	8	47.4 Å²	47.4	6%	0.056	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	162.4	-177.5	54.5	0	0	0	0	112.1	R27 R151 T152 M153	R27-S55 CarbonylContact O-C 3.54Å; R27-S55 WeakPolarHBondContact O-CA 3.36Å; R27-S55 WeakPolarHBondContact O-CB 3.5Å; S55-R151 PolarHBondContact N-O 2.81Å; S55-T152 CarbonylContact O-C 3.58Å; S55-T152 WeakPolarHBondContact O-CA 3.29Å; S55-T152 WeakPolarHBondContact OG-CA 3.33Å; S55-T152 WeakPolarHBondContact OG-CB 3.35Å; S55-T152 PolarHBondContact OG-OG1 3.37Å; S55-M153 PolarHBondContact O-N 3.1Å
56	L	98.5	Very high	98.4	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	139.4	177.8	-170.6	77.5	0	0	0	109.9	L26 R27 V28 L29 L33 V44 V48 I58 M153 V155	L26-L56 HydrophobicContact CD2-CB 3.82Å; L26-L56 HydrophobicContact CD2-CD2 4.15Å; L26-L56 HydrophobicContact CD2-CG 4.43Å; L26-L56 HydrophobicContact CG-CB 4.24Å; R27-L56 PolarHBondContact O-N 3.09Å; V28-L56 CarbonylContact C-O 3.54Å; V28-L56 WeakPolarHBondContact CA-O 3.38Å; V28-L56 HydrophobicContact CG2-CB 4.41Å; V28-L56 HydrophobicContact CG2-CD2 4.37Å; L29-L56 PolarHBondContact N-O 3.48Å; L33-L56 HydrophobicContact CD1-CD2 3.94Å; L33-L56 HydrophobicContact CD2-CD2 3.48Å; L33-L56 VanDerWaalsContact CD2-CD2 3.48Å; L33-L56 HydrophobicContact CG-CD2 3.71Å; V44-L56 HydrophobicContact CG1-CD1 3.83Å; V44-L56 HydrophobicContact CG1-CD2 3.96Å; V48-L56 HydrophobicContact CG2-CD1 4.13Å; L56-I58 HydrophobicContact CD2-CG1 4.37Å; L56-M153 CarbonylContact C-O 3.49Å; L56-M153 WeakPolarHBondContact CA-O 3.35Å; L56-M153 HydrophobicContact CD1-CB 4.04Å; L56-M153 HydrophobicContact CD1-CG 4.02Å; L56-M153 HydrophobicContact CD1-SD 4.04Å; L56-V155 HydrophobicContact CD1-CG2 3.71Å; L56-V155 HydrophobicContact CG-CG2 4.2Å
57	H	98.8	Very high	98.4	Very high	20 Å²	20	47.9 Å²	47.9	9%	0.093	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	113	175.6	-176.2	114	0	0	0	109.5	Q30 E65 T152 M153 Y154 V155	Q30-H57 VanDerWaalsContact CD-CE1 3.48Å; Q30-H57 PolarHBondContact NE2-NE2 2.86Å; Q30-H57 PolarHBondContact OE1-CE1 2.96Å; Q30-H57 PolarHBondContact OE1-NE2 3.25Å; H57-E65 IonicContact CD2-OE1 3.97Å; H57-E65 IonicContact CE1-OE1 3.47Å; H57-E65 IonicContact NE2-OE1 2.63Å; H57-E65 PolarHBondContact NE2-OE1 2.78Å; H57-T152 HydrophobicContact CB-CG2 3.65Å; H57-M153 PolarHBondContact N-O 2.83Å; H57-Y154 HydrophobicContact CB-CD1 3.62Å; H57-Y154 HydrophobicContact CB-CE1 3.9Å; H57-Y154 HydrophobicContact CB-CG 4.48Å; H57-Y154 AromaticContact CD2-CD1 3.87Å; H57-Y154 AromaticContact CG-CD1 3.74Å; H57-Y154 AromaticContact CG-CE1 3.89Å; H57-Y154 CarbonylContact O-C 3.44Å; H57-Y154 VanDerWaalsContact O-CA 3.31Å; H57-Y154 WeakPolarHBondContact O-CA 3.37Å; H57-V155 PolarHBondContact O-N 3.37Å
58	I	98.7	Very high	98.4	Very high	10 Å²	10	50.1 Å²	50.1	5%	0.051	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	112.7	176	-57.3	168.2	0	0	0	108.4	Q30 L33 L36 L56 V155 L195	Q30-I58 PolarHBondContact NE2-O 3.4Å; Q30-I58 PolarHBondContact O-N 3.46Å; L33-I58 HydrophobicContact CD2-CD1 4.46Å; L36-I58 HydrophobicContact CD1-CD1 3.92Å; L36-I58 HydrophobicContact CD2-CD1 4.41Å; L36-I58 HydrophobicContact CD2-CG2 4.31Å; L36-I58 HydrophobicContact CG-CD1 4.22Å; L56-I58 HydrophobicContact CD2-CG1 4.37Å; I58-V155 HydrophobicContact CG1-CB 4.25Å; I58-V155 HydrophobicContact CG1-CG2 4.13Å; I58-V155 HydrophobicContact CG2-CB 4.5Å; I58-L195 HydrophobicContact CG2-CD1 4.37Å
59	C	98.8	Very high	98.4	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.007	26%	0.259	C	S	.	.			trans	-69.3	132.5	-173.5	-64.2	0	0	0	0	111.7	E65 V155 M190	C59-E65 WeakPolarHBondContact CA-OE1 3.45Å; C59-V155 WeakPolarHBondContact CB-O 3.24Å; C59-V155 PolarHBondContact N-O 2.91Å; C59-M190 HydrophobicContact CB-CE 4.19Å; C59-M190 HydrophobicContact CB-SD 3.69Å
60	D	98.2	Very high	98.4	Very high	67 Å²	67	44.2 Å²	44.2	36%	0.358	23%	0.228	S	C	.	.			trans	-100.5	-14.4	178.7	76.4	3.3	0	0	0	113.6	S62 E65 G191 K192	D60-S62 VanDerWaalsContact C-N 3.28Å; D60-S62 WeakPolarHBondContact OD1-CB 3.37Å; D60-S62 PolarHBondContact OD1-N 3.49Å; D60-S62 PolarHBondContact OD1-OG 2.89Å; D60-S62 PolarHBondContact OD2-OG 3.33Å; D60-E65 PolarHBondContact N-OE1 3.35Å; D60-E65 PolarHBondContact N-OE2 3.06Å; D60-E65 WeakPolarHBondContact OD1-CB 3.2Å; D60-G191 VanDerWaalsContact C-CA 3.47Å; D60-G191 VanDerWaalsContact O-CA 3.3Å; D60-G191 WeakPolarHBondContact O-CA 3.11Å; D60-K192 PolarHBondContact O-N 2.99Å
61	G	97.6	Very high	98.4	Very high	13 Å²	13	44.5 Å²	44.5	13%	0.134	23%	0.233	C	C	.	.			trans	80.8	0.6	178.5	0	0	0	0	0	114.7	E65 R185 M190	G61-E65 PolarHBondContact N-OE2 3.49Å; G61-R185 PolarHBondContact O-NE 2.67Å; G61-R185 PolarHBondContact O-NH2 3.33Å; G61-M190 VanDerWaalsContact CA-SD 3.6Å
62	S	98.3	Very high	98.4	Very high	39 Å²	39	47.2 Å²	47.2	27%	0.273	25%	0.245	S	C	.	.			trans	-66.6	157.6	-174.9	69.9	0	0	0	0	112.8	D60 Q64 E65 N66	D60-S62 VanDerWaalsContact C-N 3.28Å; D60-S62 WeakPolarHBondContact OD1-CB 3.37Å; D60-S62 PolarHBondContact OD1-N 3.49Å; D60-S62 PolarHBondContact OD1-OG 2.89Å; D60-S62 PolarHBondContact OD2-OG 3.33Å; S62-Q64 PolarHBondContact O-N 2.96Å; S62-E65 PolarHBondContact O-N 3.38Å; S62-E65 WeakPolarHBondContact OG-CB 3.06Å; S62-E65 PolarHBondContact OG-N 3.43Å; S62-N66 PolarHBondContact O-N 2.92Å
63	D	97.5	Very high	98.4	Very high	100 Å²	100	42.7 Å²	42.7	54%	0.535	22%	0.224	S	C	.	.	H	α-helix	trans	-64.8	-28.5	172.5	-68.5	-36.5	0	0	0	112.1	R67 R185	D63-R67 WeakPolarHBondContact O-CG 3.44Å; D63-R67 PolarHBondContact O-N 3.44Å; D63-R185 IonicContact OD1-CZ 3.4Å; D63-R185 IonicContact OD1-NH1 3.61Å; D63-R185 IonicContact OD1-NH2 2.66Å; D63-R185 PolarHBondContact OD1-NH2 3.16Å
64	Q	98.1	Very high	98.3	Very high	146 Å²	146	45.9 Å²	45.9	68%	0.682	24%	0.238	S	C	*	.	H	α-helix	trans	-67.9	-47.6	177	-178.1	175	7.3	0	0	111.1	S62 N66 R67 A68	S62-Q64 PolarHBondContact O-N 2.96Å; Q64-N66 VanDerWaalsContact C-N 3.32Å; Q64-N66 PolarHBondContact O-N 3.27Å; Q64-R67 PolarHBondContact O-N 2.96Å; Q64-A68 PolarHBondContact O-N 3.29Å
65	E	98.4	Very high	98.3	Very high	6 Å²	6	47.7 Å²	47.7	3%	0.028	25%	0.246	C	C	.	.	H	α-helix	trans	-56.4	-48.3	172.7	172.1	176.1	-94.9	0	0	110.8	Q30 H57 C59 D60 G61 S62 R67 A68 I69	Q30-E65 PolarHBondContact NE2-OE1 3.23Å; H57-E65 IonicContact CD2-OE1 3.97Å; H57-E65 IonicContact CE1-OE1 3.47Å; H57-E65 IonicContact NE2-OE1 2.63Å; H57-E65 PolarHBondContact NE2-OE1 2.78Å; C59-E65 WeakPolarHBondContact CA-OE1 3.45Å; D60-E65 PolarHBondContact N-OE1 3.35Å; D60-E65 PolarHBondContact N-OE2 3.06Å; D60-E65 WeakPolarHBondContact OD1-CB 3.2Å; G61-E65 PolarHBondContact N-OE2 3.49Å; S62-E65 PolarHBondContact O-N 3.38Å; S62-E65 WeakPolarHBondContact OG-CB 3.06Å; S62-E65 PolarHBondContact OG-N 3.43Å; E65-R67 VanDerWaalsContact C-N 3.34Å; E65-R67 PolarHBondContact O-N 2.93Å; E65-A68 WeakPolarHBondContact O-CB 3.28Å; E65-A68 PolarHBondContact O-N 3.12Å; E65-A68 VanDerWaalsContact O-N 3.13Å; E65-I69 HydrophobicContact CG-CG1 4.34Å; E65-I69 WeakPolarHBondContact O-CG1 3.44Å; E65-I69 PolarHBondContact O-N 2.85Å
66	N	98.2	Very high	98.2	Very high	19 Å²	19	51.9 Å²	51.9	10%	0.102	27%	0.265	C	S	.	.	H	α-helix	trans	-59.8	-43.4	-179.7	-172.1	60.8	0	0	0	112.5	S62 Q64 A68 I69 L70 R185	S62-N66 PolarHBondContact O-N 2.92Å; Q64-N66 VanDerWaalsContact C-N 3.32Å; Q64-N66 PolarHBondContact O-N 3.27Å; N66-A68 VanDerWaalsContact C-N 3.35Å; N66-A68 PolarHBondContact O-N 3.43Å; N66-I69 PolarHBondContact O-N 2.9Å; N66-L70 WeakPolarHBondContact ND2-CD1 3.46Å; N66-L70 WeakPolarHBondContact O-CB 3.31Å; N66-L70 VanDerWaalsContact O-CG 3.26Å; N66-L70 WeakPolarHBondContact O-CG 3.48Å; N66-L70 PolarHBondContact O-N 3.47Å; N66-R185 WeakPolarHBondContact OD1-CD 3.23Å
67	R	98.2	Very high	98.2	Very high	144 Å²	144	53.7 Å²	53.7	54%	0.543	28%	0.284	S	S	.	.	H	α-helix	trans	-60.7	-44	174.9	-75.8	-172.1	-59.5	-91.4	1.8	111.6	D63 Q64 E65 L70 T71	D63-R67 WeakPolarHBondContact O-CG 3.44Å; D63-R67 PolarHBondContact O-N 3.44Å; Q64-R67 PolarHBondContact O-N 2.96Å; E65-R67 VanDerWaalsContact C-N 3.34Å; E65-R67 PolarHBondContact O-N 2.93Å; R67-L70 PolarHBondContact O-N 3.3Å; R67-T71 WeakPolarHBondContact O-CB 3.3Å; R67-T71 PolarHBondContact O-N 3.33Å; R67-T71 PolarHBondContact O-OG1 3.03Å; R67-T71 VanDerWaalsContact O-OG1 3.09Å
68	A	98.4	Very high	98.1	Very high	60 Å²	60	53.6 Å²	53.6	50%	0.496	28%	0.284	S	S	.	.	H	α-helix	trans	-62.3	-43.8	178.4	0	0	0	0	0	112	Q64 E65 N66 T71 Q72	Q64-A68 PolarHBondContact O-N 3.29Å; E65-A68 WeakPolarHBondContact O-CB 3.28Å; E65-A68 PolarHBondContact O-N 3.12Å; E65-A68 VanDerWaalsContact O-N 3.13Å; N66-A68 VanDerWaalsContact C-N 3.35Å; N66-A68 PolarHBondContact O-N 3.43Å; A68-T71 PolarHBondContact O-N 2.89Å; A68-Q72 WeakPolarHBondContact O-CB 3.48Å; A68-Q72 PolarHBondContact O-N 3.44Å
69	I	98.6	Very high	98.1	Very high	5 Å²	5	53.6 Å²	53.6	3%	0.026	28%	0.284	C	S	.	.	H	α-helix	trans	-62.4	-44.6	176.4	-68.4	-70.1	0	0	0	111.5	E65 N66 Q72 L73 Y154 P178 V181 A182	E65-I69 HydrophobicContact CG-CG1 4.34Å; E65-I69 WeakPolarHBondContact O-CG1 3.44Å; E65-I69 PolarHBondContact O-N 2.85Å; N66-I69 PolarHBondContact O-N 2.9Å; I69-Q72 PolarHBondContact O-N 2.92Å; I69-L73 HydrophobicContact CG2-CD1 4.03Å; I69-L73 WeakPolarHBondContact O-CG 3.49Å; I69-L73 PolarHBondContact O-N 2.86Å; I69-Y154 HydrophobicContact CD1-CD1 4.35Å; I69-Y154 HydrophobicContact CD1-CE1 3.54Å; I69-P178 HydrophobicContact CD1-CB 4.31Å; I69-P178 HydrophobicContact CG2-CB 3.94Å; I69-P178 WeakPolarHBondContact CG2-O 3.41Å; I69-V181 HydrophobicContact CG1-CG1 4.46Å; I69-A182 HydrophobicContact CG2-CB 4.11Å
70	L	98.7	Very high	98.1	Very high	5 Å²	5	58.2 Å²	58.2	3%	0.026	30%	0.303	C	S	.	.	H	α-helix	trans	-65.5	-43.3	178.4	-70.4	168.1	0	0	0	111.8	N66 R67 Q72 L73 E74 I79 W89 A182 I370	N66-L70 WeakPolarHBondContact ND2-CD1 3.46Å; N66-L70 WeakPolarHBondContact O-CB 3.31Å; N66-L70 VanDerWaalsContact O-CG 3.26Å; N66-L70 WeakPolarHBondContact O-CG 3.48Å; N66-L70 PolarHBondContact O-N 3.47Å; R67-L70 PolarHBondContact O-N 3.3Å; L70-Q72 VanDerWaalsContact C-N 3.35Å; L70-Q72 PolarHBondContact O-N 3.26Å; L70-L73 PolarHBondContact O-N 3.29Å; L70-E74 PolarHBondContact O-N 3.13Å; L70-I79 HydrophobicContact CB-CD1 4.5Å; L70-I79 HydrophobicContact CD2-CD1 3.77Å; L70-W89 HydrophobicContact CB-CH2 4.34Å; L70-W89 HydrophobicContact CB-CZ2 3.93Å; L70-W89 HydrophobicContact CD1-CZ2 4.24Å; L70-W89 HydrophobicContact CD2-CD2 4.22Å; L70-W89 HydrophobicContact CD2-CG 4.13Å; L70-A182 HydrophobicContact CD2-CB 4.3Å; L70-I370 HydrophobicContact CD2-CD1 4.49Å
71	T	98.4	Very high	98.1	Very high	63 Å²	63	59.7 Å²	59.7	39%	0.387	31%	0.307	S	S	.	.	H	α-helix	trans	-59.8	-45.6	174	-65.6	0	0	0	0	111.2	R67 A68 L73 E74 E75	R67-T71 WeakPolarHBondContact O-CB 3.3Å; R67-T71 PolarHBondContact O-N 3.33Å; R67-T71 PolarHBondContact O-OG1 3.03Å; R67-T71 VanDerWaalsContact O-OG1 3.09Å; A68-T71 PolarHBondContact O-N 2.89Å; T71-L73 VanDerWaalsContact C-N 3.35Å; T71-L73 PolarHBondContact O-N 2.82Å; T71-E74 PolarHBondContact O-N 2.85Å; T71-E75 HydrophobicContact CG2-CG 4.3Å; T71-E75 WeakPolarHBondContact CG2-OE1 3.33Å; T71-E75 WeakPolarHBondContact O-CB 3.19Å; T71-E75 WeakPolarHBondContact O-CG 3.37Å; T71-E75 PolarHBondContact O-N 2.92Å
72	Q	98.2	Very high	98.2	Very high	57 Å²	57	59 Å²	59	27%	0.266	30%	0.3	S	S	.	.	H	α-helix	trans	-58.9	-45	176	175.3	-176.6	-20.2	0	0	111.9	A68 I69 L70 E74 E75 Q76 Y154	A68-Q72 WeakPolarHBondContact O-CB 3.48Å; A68-Q72 PolarHBondContact O-N 3.44Å; I69-Q72 PolarHBondContact O-N 2.92Å; L70-Q72 VanDerWaalsContact C-N 3.35Å; L70-Q72 PolarHBondContact O-N 3.26Å; Q72-E74 VanDerWaalsContact C-N 3.32Å; Q72-E74 PolarHBondContact O-N 3.06Å; Q72-E75 PolarHBondContact O-N 3.19Å; Q72-Q76 WeakPolarHBondContact O-CB 3.31Å; Q72-Q76 WeakPolarHBondContact O-CG 3.42Å; Q72-Q76 PolarHBondContact O-N 3.05Å; Q72-Y154 PolarHBondContact NE2-OH 3.17Å
73	L	98.6	Very high	98.1	Very high	2 Å²	2	62.6 Å²	62.6	1%	0.01	32%	0.32	C	S	.	.	H	α-helix	trans	-63.1	-38.2	178	-77.2	165.4	0	0	0	112.2	I69 L70 T71 G77 M78 I79 P178 A182	I69-L73 HydrophobicContact CG2-CD1 4.03Å; I69-L73 WeakPolarHBondContact O-CG 3.49Å; I69-L73 PolarHBondContact O-N 2.86Å; L70-L73 PolarHBondContact O-N 3.29Å; T71-L73 VanDerWaalsContact C-N 3.35Å; T71-L73 PolarHBondContact O-N 2.82Å; L73-G77 PolarHBondContact O-N 3.29Å; L73-M78 HydrophobicContact CD2-CB 3.86Å; L73-M78 HydrophobicContact CD2-CE 4.36Å; L73-M78 HydrophobicContact CD2-CG 4.3Å; L73-M78 HydrophobicContact CD2-SD 3.77Å; L73-M78 PolarHBondContact O-N 3.06Å; L73-I79 HydrophobicContact CB-CB 4.47Å; L73-I79 HydrophobicContact CB-CD1 3.51Å; L73-I79 HydrophobicContact CB-CG1 3.63Å; L73-I79 HydrophobicContact CB-CG2 4.21Å; L73-I79 HydrophobicContact CD1-CD1 4.07Å; L73-I79 HydrophobicContact CD1-CG2 4.49Å; L73-I79 HydrophobicContact CG-CD1 4.44Å; L73-I79 PolarHBondContact O-N 3.29Å; L73-P178 HydrophobicContact CD1-CB 4.37Å; L73-P178 HydrophobicContact CD2-CB 3.99Å; L73-P178 HydrophobicContact CD2-CG 3.7Å; L73-P178 HydrophobicContact CG-CB 4.03Å; L73-P178 HydrophobicContact CG-CG 4.21Å; L73-A182 HydrophobicContact CD1-CB 4.47Å
74	E	98.5	Very high	98.2	Very high	78 Å²	78	62.4 Å²	62.4	36%	0.364	32%	0.315	S	S	.	.	H	α-helix	trans	-68.2	-47.2	176.8	-179.6	170.9	-135	0	0	111.6	L70 T71 Q72 Q76 G77 I79 K81 W89	L70-E74 PolarHBondContact O-N 3.13Å; T71-E74 PolarHBondContact O-N 2.85Å; Q72-E74 VanDerWaalsContact C-N 3.32Å; Q72-E74 PolarHBondContact O-N 3.06Å; E74-Q76 PolarHBondContact O-N 3.28Å; E74-G77 WeakPolarHBondContact O-CA 3.21Å; E74-G77 PolarHBondContact O-N 2.95Å; E74-I79 HydrophobicContact CB-CG1 4.25Å; E74-K81 WeakPolarHBondContact OE1-CB 3.35Å; E74-W89 HydrophobicContact CB-CZ3 3.94Å; E74-W89 HydrophobicContact CG-CZ3 4.2Å; E74-W89 WeakPolarHBondContact OE2-CZ3 3.47Å
75	E	97.8	Very high	98.2	Very high	158 Å²	158	57.9 Å²	57.9	74%	0.738	29%	0.292	S	S	*	.	H	α-helix	trans	-60.6	-33.3	176.7	-73	175.5	173.7	0	0	112.3	T71 Q72 G77	T71-E75 HydrophobicContact CG2-CG 4.3Å; T71-E75 WeakPolarHBondContact CG2-OE1 3.33Å; T71-E75 WeakPolarHBondContact O-CB 3.19Å; T71-E75 WeakPolarHBondContact O-CG 3.37Å; T71-E75 PolarHBondContact O-N 2.92Å; Q72-E75 PolarHBondContact O-N 3.19Å; E75-G77 PolarHBondContact O-N 3.03Å
76	Q	96.2	Very high	98.1	Very high	97 Å²	97	63.7 Å²	63.7	45%	0.453	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-3.6	174.6	-68.9	177.1	2.2	0	0	113.4	Q72 E74 M78	Q72-Q76 WeakPolarHBondContact O-CB 3.31Å; Q72-Q76 WeakPolarHBondContact O-CG 3.42Å; Q72-Q76 PolarHBondContact O-N 3.05Å; E74-Q76 PolarHBondContact O-N 3.28Å; Q76-M78 HydrophobicContact CB-CG 4.2Å; Q76-M78 PolarHBondContact O-N 3.04Å
77	G	97.4	Very high	98.2	Very high	37 Å²	37	65.2 Å²	65.2	38%	0.381	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.8	20.6	-178.3	0	0	0	0	0	114	L73 E74 E75 N223	L73-G77 PolarHBondContact O-N 3.29Å; E74-G77 WeakPolarHBondContact O-CA 3.21Å; E74-G77 PolarHBondContact O-N 2.95Å; E75-G77 PolarHBondContact O-N 3.03Å; G77-N223 PolarHBondContact O-ND2 3.03Å; G77-N223 VanDerWaalsContact O-ND2 3.13Å
78	M	97.8	Very high	98.2	Very high	19 Å²	19	58.3 Å²	58.3	9%	0.094	30%	0.301	C	S	.	.	S	Bend	trans	-79.7	-33.6	175.3	-68.1	-161.6	62.8	0	0	112	L73 Q76 N223 W224 P225	L73-M78 HydrophobicContact CD2-CB 3.86Å; L73-M78 HydrophobicContact CD2-CE 4.36Å; L73-M78 HydrophobicContact CD2-CG 4.3Å; L73-M78 HydrophobicContact CD2-SD 3.77Å; L73-M78 PolarHBondContact O-N 3.06Å; Q76-M78 HydrophobicContact CB-CG 4.2Å; Q76-M78 PolarHBondContact O-N 3.04Å; M78-N223 HydrophobicContact CG-CB 4.42Å; M78-N223 WeakPolarHBondContact CG-O 3.11Å; M78-W224 HydrophobicContact CE-CE3 4.15Å; M78-W224 HydrophobicContact CE-CZ3 4.49Å; M78-P225 VanDerWaalsContact CE-CD 3.46Å; M78-P225 HydrophobicContact CE-CG 4.33Å
79	I	98.6	Very high	98.2	Very high	10 Å²	10	56.1 Å²	56.1	5%	0.051	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	160.3	174.1	72.3	-177.6	0	0	0	110.2	L70 L73 E74 W89 L90 A91	L70-I79 HydrophobicContact CB-CD1 4.5Å; L70-I79 HydrophobicContact CD2-CD1 3.77Å; L73-I79 HydrophobicContact CB-CB 4.47Å; L73-I79 HydrophobicContact CB-CD1 3.51Å; L73-I79 HydrophobicContact CB-CG1 3.63Å; L73-I79 HydrophobicContact CB-CG2 4.21Å; L73-I79 HydrophobicContact CD1-CD1 4.07Å; L73-I79 HydrophobicContact CD1-CG2 4.49Å; L73-I79 HydrophobicContact CG-CD1 4.44Å; L73-I79 PolarHBondContact O-N 3.29Å; E74-I79 HydrophobicContact CB-CG1 4.25Å; I79-W89 HydrophobicContact CD1-CB 4.14Å; I79-W89 HydrophobicContact CD1-CD2 3.78Å; I79-W89 HydrophobicContact CD1-CE3 3.45Å; I79-W89 VanDerWaalsContact CD1-CE3 3.45Å; I79-W89 HydrophobicContact CD1-CG 4.08Å; I79-W89 HydrophobicContact CD1-CZ3 4.1Å; I79-W89 HydrophobicContact CG1-CE3 3.79Å; I79-W89 HydrophobicContact CG1-CZ3 4.36Å; I79-L90 CarbonylContact C-O 3.57Å; I79-L90 VanDerWaalsContact CA-O 3.24Å; I79-L90 WeakPolarHBondContact CA-O 3.5Å; I79-A91 HydrophobicContact CG2-CB 4.08Å
80	K	98.4	Very high	98.2	Very high	97 Å²	97	56 Å²	56	42%	0.422	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	135.9	173.1	-176.4	-179	-179.5	-174.8	0	109.7	W89 L90 E376	K80-W89 CarbonylContact O-C 3.57Å; K80-W89 WeakPolarHBondContact O-CA 3.36Å; K80-L90 PolarHBondContact N-O 2.99Å; K80-L90 PolarHBondContact O-N 3.35Å; K80-E376 WeakPolarHBondContact CE-OE1 3.4Å; K80-E376 VanDerWaalsContact NZ-CD 3.3Å; K80-E376 IonicContact NZ-OE1 2.62Å; K80-E376 PolarHBondContact NZ-OE1 3.35Å; K80-E376 IonicContact NZ-OE2 3.22Å; K80-E376 PolarHBondContact NZ-OE2 3.49Å
81	K	98.5	Very high	98.2	Very high	98 Å²	98	55.8 Å²	55.8	43%	0.426	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	134.5	172.1	-166.8	172	-175.3	176.2	0	111.4	E74 W89	E74-K81 WeakPolarHBondContact OE1-CB 3.35Å; K81-W89 HydrophobicContact CB-CE3 3.89Å; K81-W89 HydrophobicContact CB-CH2 4.18Å; K81-W89 HydrophobicContact CB-CZ3 3.62Å; K81-W89 HydrophobicContact CD-CH2 4.11Å; K81-W89 HydrophobicContact CD-CZ3 4.39Å; K81-W89 HydrophobicContact CG-CE3 4.35Å; K81-W89 HydrophobicContact CG-CH2 4.22Å; K81-W89 HydrophobicContact CG-CZ3 4.1Å
82	L	98.5	Very high	98.2	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	109	173.9	-68.2	167.2	0	0	0	109.2	K84 Y85 C88 L90 F371 E376 G380 I382	L82-K84 VanDerWaalsContact C-N 3.3Å; L82-K84 PolarHBondContact O-N 2.95Å; L82-Y85 HydrophobicContact CB-CD2 4.09Å; L82-Y85 HydrophobicContact CD1-CD2 4.31Å; L82-Y85 PolarHBondContact O-N 2.86Å; L82-C88 HydrophobicContact CB-CB 4.19Å; L82-C88 HydrophobicContact CD1-CB 4.09Å; L82-C88 PolarHBondContact N-O 3.04Å; L82-L90 HydrophobicContact CD1-CB 4.27Å; L82-L90 HydrophobicContact CD2-CB 4.1Å; L82-L90 HydrophobicContact CD2-CD2 4.4Å; L82-L90 HydrophobicContact CG-CB 4.12Å; L82-F371 HydrophobicContact CD1-CD2 3.57Å; L82-F371 HydrophobicContact CD1-CE2 4.03Å; L82-F371 HydrophobicContact CD1-CG 4.4Å; L82-E376 HydrophobicContact CD2-CG 4.36Å; L82-G380 CarbonylContact C-O 3.26Å; L82-I382 HydrophobicContact CD1-CG2 3.54Å; L82-I382 HydrophobicContact CD2-CG2 4.14Å; L82-I382 HydrophobicContact CG-CG2 4.49Å
83	T	98	Very high	98.3	Very high	113 Å²	113	51.3 Å²	51.3	69%	0.693	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-16.9	-170.4	53.2	0	0	0	0	114.2	Y85 G380	T83-Y85 VanDerWaalsContact C-N 3.25Å; T83-Y85 PolarHBondContact O-N 2.81Å; T83-G380 PolarHBondContact N-O 3.48Å
84	K	97.8	Very high	98.2	Very high	96 Å²	96	52.6 Å²	52.6	42%	0.417	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-16.3	177.4	-168	170.4	-176.3	168.9	0	113.1	L82 D379 G380	L82-K84 VanDerWaalsContact C-N 3.3Å; L82-K84 PolarHBondContact O-N 2.95Å; K84-D379 WeakPolarHBondContact CE-OD2 3.48Å; K84-D379 IonicContact NZ-OD1 3.78Å; K84-D379 IonicContact NZ-OD2 2.7Å; K84-D379 PolarHBondContact NZ-OD2 2.77Å; K84-G380 VanDerWaalsContact CB-O 3.27Å; K84-G380 WeakPolarHBondContact CB-O 3.46Å; K84-G380 PolarHBondContact N-O 3.44Å
85	Y	98.1	Very high	98.1	Very high	52 Å²	52	51.9 Å²	51.9	20%	0.204	26%	0.261	C	S	.	.	S	Bend	trans	-127.5	163.8	-169.2	-56.7	-51	0	0	0	112.1	L82 T83 N87 C88 V366 I382	L82-Y85 HydrophobicContact CB-CD2 4.09Å; L82-Y85 HydrophobicContact CD1-CD2 4.31Å; L82-Y85 PolarHBondContact O-N 2.86Å; T83-Y85 VanDerWaalsContact C-N 3.25Å; T83-Y85 PolarHBondContact O-N 2.81Å; Y85-N87 PolarHBondContact O-N 3.16Å; Y85-C88 HydrophobicContact CD2-CB 4.37Å; Y85-V366 WeakPolarHBondContact CB-O 3.34Å; Y85-V366 HydrophobicContact CD1-CB 4.19Å; Y85-V366 HydrophobicContact CD1-CG1 4.28Å; Y85-V366 HydrophobicContact CE1-CG1 4.25Å; Y85-I382 HydrophobicContact CE2-CB 4.45Å; Y85-I382 HydrophobicContact CE2-CG1 3.92Å; Y85-I382 HydrophobicContact CE2-CG2 4.2Å
86	E	98.3	Very high	98	Very high	127 Å²	127	46.6 Å²	46.6	59%	0.593	25%	0.248	S	C	*	.	B	Isolated β-bridge	trans	-86.8	110.8	-178.3	-175.1	-172.3	170.4	0	0	111	C88 V366 K367 N368	E86-C88 PolarHBondContact O-N 3.15Å; E86-V366 PolarHBondContact N-O 2.89Å; E86-K367 HydrophobicContact CB-CB 3.85Å; E86-K367 HydrophobicContact CG-CB 4.45Å; E86-K367 CarbonylContact O-C 3.44Å; E86-K367 WeakPolarHBondContact O-CA 3.46Å; E86-N368 PolarHBondContact O-N 2.85Å
87	N	98.3	Very high	98.1	Very high	51 Å²	51	42.2 Å²	42.2	27%	0.273	23%	0.228	S	C	.	.	S	Bend	trans	54.5	39.8	177.2	-172.7	36.6	0	0	0	113.3	Y85 W89 N368	Y85-N87 PolarHBondContact O-N 3.16Å; N87-W89 PolarHBondContact O-NE1 2.65Å; N87-W89 PolarHBondContact OD1-NE1 3.45Å; N87-N368 PolarHBondContact ND2-OD1 2.79Å; N87-N368 VanDerWaalsContact O-CA 3.29Å; N87-N368 WeakPolarHBondContact O-CA 3.27Å; N87-N368 PolarHBondContact O-N 3.4Å
88	C	98.9	Very high	98	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	150	173	-65.4	0	0	0	0	111.7	L82 Y85 E86 K367 T369 F371	L82-C88 HydrophobicContact CB-CB 4.19Å; L82-C88 HydrophobicContact CD1-CB 4.09Å; L82-C88 PolarHBondContact N-O 3.04Å; Y85-C88 HydrophobicContact CD2-CB 4.37Å; E86-C88 PolarHBondContact O-N 3.15Å; C88-K367 VanDerWaalsContact SG-CA 3.56Å; C88-T369 CarbonylContact C-O 3.51Å; C88-T369 WeakPolarHBondContact CA-O 3.38Å; C88-T369 WeakPolarHBondContact CB-O 3.44Å; C88-F371 HydrophobicContact CB-CE2 4.17Å
89	W	98.9	Very high	97.6	Very high	13 Å²	13	41.3 Å²	41.3	5%	0.049	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	149.5	-169.8	-56.2	89.1	0	0	0	110.7	L70 E74 I79 K80 K81 N87 T369 I370 F371	L70-W89 HydrophobicContact CB-CH2 4.34Å; L70-W89 HydrophobicContact CB-CZ2 3.93Å; L70-W89 HydrophobicContact CD1-CZ2 4.24Å; L70-W89 HydrophobicContact CD2-CD2 4.22Å; L70-W89 HydrophobicContact CD2-CG 4.13Å; E74-W89 HydrophobicContact CB-CZ3 3.94Å; E74-W89 HydrophobicContact CG-CZ3 4.2Å; E74-W89 WeakPolarHBondContact OE2-CZ3 3.47Å; I79-W89 HydrophobicContact CD1-CB 4.14Å; I79-W89 HydrophobicContact CD1-CD2 3.78Å; I79-W89 HydrophobicContact CD1-CE3 3.45Å; I79-W89 VanDerWaalsContact CD1-CE3 3.45Å; I79-W89 HydrophobicContact CD1-CG 4.08Å; I79-W89 HydrophobicContact CD1-CZ3 4.1Å; I79-W89 HydrophobicContact CG1-CE3 3.79Å; I79-W89 HydrophobicContact CG1-CZ3 4.36Å; K80-W89 CarbonylContact O-C 3.57Å; K80-W89 WeakPolarHBondContact O-CA 3.36Å; K81-W89 HydrophobicContact CB-CE3 3.89Å; K81-W89 HydrophobicContact CB-CH2 4.18Å; K81-W89 HydrophobicContact CB-CZ3 3.62Å; K81-W89 HydrophobicContact CD-CH2 4.11Å; K81-W89 HydrophobicContact CD-CZ3 4.39Å; K81-W89 HydrophobicContact CG-CE3 4.35Å; K81-W89 HydrophobicContact CG-CH2 4.22Å; K81-W89 HydrophobicContact CG-CZ3 4.1Å; N87-W89 PolarHBondContact O-NE1 2.65Å; N87-W89 PolarHBondContact OD1-NE1 3.45Å; W89-T369 PolarHBondContact N-O 2.84Å; W89-I370 HydrophobicContact CB-CG1 4.36Å; W89-F371 PolarHBondContact O-N 2.83Å
90	L	98.9	Very high	97.1	Very high	3 Å²	3	41.7 Å²	41.7	2%	0.016	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	121.2	178.1	176.6	60.1	0	0	0	110.4	I79 K80 L82 F371 V374 E376	I79-L90 CarbonylContact C-O 3.57Å; I79-L90 VanDerWaalsContact CA-O 3.24Å; I79-L90 WeakPolarHBondContact CA-O 3.5Å; K80-L90 PolarHBondContact N-O 2.99Å; K80-L90 PolarHBondContact O-N 3.35Å; L82-L90 HydrophobicContact CD1-CB 4.27Å; L82-L90 HydrophobicContact CD2-CB 4.1Å; L82-L90 HydrophobicContact CD2-CD2 4.4Å; L82-L90 HydrophobicContact CG-CB 4.12Å; L90-F371 CarbonylContact C-O 3.5Å; L90-F371 WeakPolarHBondContact CA-O 3.48Å; L90-F371 HydrophobicContact CD1-CB 4.1Å; L90-V374 HydrophobicContact CD1-CG2 3.49Å; L90-V374 VanDerWaalsContact CD1-CG2 3.49Å; L90-E376 HydrophobicContact CD2-CB 3.85Å; L90-E376 HydrophobicContact CD2-CG 4.41Å
91	A	98.8	Very high	96.7	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	138.2	167.3	0	0	0	0	0	110.3	I79 Y179 W224 F371 T372 N373	I79-A91 HydrophobicContact CG2-CB 4.08Å; A91-Y179 HydrophobicContact CB-CD2 4.21Å; A91-Y179 HydrophobicContact CB-CE2 3.75Å; A91-W224 HydrophobicContact CB-CZ3 4.27Å; A91-F371 PolarHBondContact N-O 2.81Å; A91-T372 HydrophobicContact CB-CG2 4.34Å; A91-T372 WeakPolarHBondContact O-CA 3.48Å; A91-N373 PolarHBondContact O-N 2.8Å
92	R	98.6	Very high	96.3	Very high	27 Å²	27	35.7 Å²	35.7	10%	0.102	20%	0.196	C	C	.	.			trans	-119.4	117	170.5	-66.8	-179	178.4	103.1	-1.3	108.1	N222 N373 E376 S399 W400	R92-N222 WeakPolarHBondContact O-CB 3.38Å; R92-N373 WeakPolarHBondContact CA-OD1 3.31Å; R92-E376 IonicContact CZ-OE2 2.81Å; R92-E376 IonicContact NH1-OE2 3.12Å; R92-E376 PolarHBondContact NH1-OE2 3.44Å; R92-E376 IonicContact NH2-OE2 2.77Å; R92-E376 PolarHBondContact NH2-OE2 2.95Å; R92-S399 PolarHBondContact NE-O 2.74Å; R92-W400 WeakPolarHBondContact CD-O 3.48Å; R92-W400 WeakPolarHBondContact CG-O 3.41Å
93	T	98.5	Very high	96	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.21	C	C	.	.			trans	-85.8	171.3	-173.2	72.8	0	0	0	0	111.9	D97 N222 W224 T372 N373	T93-D97 PolarHBondContact OG1-O 3.03Å; T93-N222 PolarHBondContact O-ND2 2.96Å; T93-W224 HydrophobicContact CG2-CD2 3.73Å; T93-W224 HydrophobicContact CG2-CE3 3.93Å; T93-W224 HydrophobicContact CG2-CG 4.39Å; T93-W224 HydrophobicContact CG2-CH2 3.78Å; T93-W224 HydrophobicContact CG2-CZ2 3.56Å; T93-W224 HydrophobicContact CG2-CZ3 3.96Å; T93-T372 HydrophobicContact CG2-CG2 3.65Å; T93-N373 PolarHBondContact N-OD1 3.25Å; T93-N373 PolarHBondContact OG1-ND2 2.87Å; T93-N373 PolarHBondContact OG1-OD1 3.43Å
94	D	98.2	Very high	96	Very high	29 Å²	29	35.5 Å²	35.5	16%	0.155	19%	0.191	C	C	.	.			trans	-62.1	131.8	159.6	-171.1	-43.8	0	0	0	108.8	G96 D97 V221 W224 C226	D94-G96 PolarHBondContact O-N 3.03Å; D94-G96 VanDerWaalsContact O-N 3.11Å; D94-G96 PolarHBondContact OD1-N 3.13Å; D94-D97 CarbonylContact O-C 3.49Å; D94-D97 PolarHBondContact O-N 3.35Å; D94-V221 HydrophobicContact CB-CB 4.23Å; D94-V221 WeakPolarHBondContact OD2-CB 3.4Å; D94-V221 WeakPolarHBondContact OD2-CG2 3.03Å; D94-W224 HydrophobicContact CB-CB 4.37Å; D94-W224 HydrophobicContact CB-CG 4.48Å; D94-C226 VanDerWaalsContact CB-SG 3.52Å
95	P	96.3	Very high	96	Very high	62 Å²	62	31.6 Å²	31.6	40%	0.403	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-21.2	174.1	-27.2	36.4	0	0	0	115.1	D97 W400	P95-D97 PolarHBondContact O-N 3.49Å; P95-W400 HydrophobicContact CB-CH2 3.98Å; P95-W400 HydrophobicContact CB-CZ3 4.4Å; P95-W400 HydrophobicContact CG-CH2 4.14Å; P95-W400 HydrophobicContact CG-CZ3 4.24Å
96	G	95.9	Very high	96	Very high	47 Å²	47	29.3 Å²	29.3	49%	0.485	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-8.4	171.3	0	0	0	0	0	114.5	D94	D94-G96 PolarHBondContact O-N 3.03Å; D94-G96 VanDerWaalsContact O-N 3.11Å; D94-G96 PolarHBondContact OD1-N 3.13Å
97	D	97.4	Very high	96	Very high	6 Å²	6	23.5 Å²	23.5	3%	0.032	14%	0.14	C	C	.	.	S	Bend	trans	-136.2	70	-175.9	-170.2	29.9	0	0	0	112.1	T93 D94 P95 W224 C226 S247 G248 Y249	T93-D97 PolarHBondContact OG1-O 3.03Å; D94-D97 CarbonylContact O-C 3.49Å; D94-D97 PolarHBondContact O-N 3.35Å; P95-D97 PolarHBondContact O-N 3.49Å; D97-W224 PolarHBondContact OD2-NE1 3.44Å; D97-C226 HydrophobicContact CB-CB 3.91Å; D97-S247 VanDerWaalsContact OD1-CB 3.31Å; D97-S247 WeakPolarHBondContact OD1-CB 3.43Å; D97-S247 PolarHBondContact OD1-OG 3.39Å; D97-G248 PolarHBondContact OD2-N 2.86Å; D97-Y249 WeakPolarHBondContact OD1-CB 3.39Å; D97-Y249 PolarHBondContact OD2-N 2.88Å
98	V	95	Very high	96	Very high	22 Å²	22	21.4 Å²	21.4	13%	0.133	13%	0.128	C	C	.	.	S	Bend	trans	-126.2	-6.3	-170.3	-64.5	0	0	0	0	115.1	Y249 W400 H415 N417	V98-Y249 VanDerWaalsContact O-CE2 3.27Å; V98-Y249 WeakPolarHBondContact O-CE2 3.43Å; V98-Y249 PolarHBondContact O-OH 2.89Å; V98-W400 HydrophobicContact CG1-CH2 3.97Å; V98-W400 HydrophobicContact CG1-CZ3 3.8Å; V98-H415 WeakPolarHBondContact CG2-NE2 3.23Å; V98-N417 PolarHBondContact O-ND2 3.22Å
99	A	90.8	Very high	96	Very high	15 Å²	15	21.5 Å²	21.5	12%	0.124	13%	0.129	C	C	.	.	S	Bend	trans	-157.9	173.3	-174.9	0	0	0	0	0	111.7	N252	A99-N252 PolarHBondContact O-ND2 3.47Å; A99-N252 VanDerWaalsContact O-ND2 3.12Å
100	R	87.9	Confident	96	Very high	17 Å²	17	30.3 Å²	30.3	6%	0.064	16%	0.162	C	C	.	.			trans	-68.9	143.4	167.8	-68	176.1	-64.2	140.9	0.7	109.9	S300 A481	R100-S300 PolarHBondContact NH2-OG 2.77Å; R100-A481 PolarHBondContact NE-O 3.28Å; R100-A481 PolarHBondContact NH2-O 2.87Å
101	V	88.9	Confident	95.9	Very high	32 Å²	32	35.5 Å²	35.5	19%	0.194	19%	0.186	C	C	.	.			trans	-113.5	89.4	177.7	-168.1	0	0	0	0	107.6	S103 K104 T105 E483	V101-S103 WeakPolarHBondContact CG1-OG 3.41Å; V101-S103 PolarHBondContact O-N 2.8Å; V101-K104 HydrophobicContact CB-CB 4.16Å; V101-K104 HydrophobicContact CB-CD 4.44Å; V101-K104 HydrophobicContact CB-CG 4.43Å; V101-K104 HydrophobicContact CG1-CB 3.92Å; V101-K104 HydrophobicContact CG1-CD 3.77Å; V101-K104 HydrophobicContact CG1-CG 3.69Å; V101-K104 CarbonylContact O-C 3.16Å; V101-K104 PolarHBondContact O-N 3.48Å; V101-T105 PolarHBondContact O-N 3.33Å; V101-T105 PolarHBondContact O-OG1 3.27Å; V101-E483 WeakPolarHBondContact CG1-OE2 3.48Å
102	E	90.1	Very high	95.8	Very high	37 Å²	37	39.5 Å²	39.5	17%	0.173	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-56.9	-39.5	-175.9	-69.8	177.7	-168	0	0	110.5	K104 T105 A482 E483 H484 R497 P498	E102-K104 PolarHBondContact O-N 3.01Å; E102-T105 PolarHBondContact O-N 2.96Å; E102-A482 HydrophobicContact CG-CB 4.21Å; E102-A482 WeakPolarHBondContact OE1-CB 3.38Å; E102-E483 PolarHBondContact N-OE1 3.42Å; E102-H484 IonicContact OE1-NE2 3.46Å; E102-H484 IonicContact OE2-CD2 3.3Å; E102-H484 IonicContact OE2-CE1 2.8Å; E102-H484 IonicContact OE2-NE2 3.75Å; E102-H484 PolarHBondContact OE2-NE2 3.33Å; E102-R497 IonicContact OE1-NH2 2.78Å; E102-R497 PolarHBondContact OE1-NH2 3.44Å; E102-R497 IonicContact OE2-CZ 3.51Å; E102-R497 IonicContact OE2-NE 3.6Å; E102-R497 IonicContact OE2-NH2 3.32Å; E102-R497 PolarHBondContact OE2-NH2 3.39Å; E102-R497 VanDerWaalsContact OE2-NH2 3.14Å; E102-P498 HydrophobicContact CG-CB 4.11Å; E102-P498 WeakPolarHBondContact OE1-CB 3.47Å
103	S	93.3	Very high	95.7	Very high	44 Å²	44	43.6 Å²	43.6	31%	0.308	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-60.3	-23.1	175.1	63.9	0	0	0	0	114.4	V101 R129 E483	V101-S103 WeakPolarHBondContact CG1-OG 3.41Å; V101-S103 PolarHBondContact O-N 2.8Å; S103-R129 WeakPolarHBondContact O-CD 3.43Å; S103-R129 VanDerWaalsContact O-CZ 3.26Å; S103-R129 PolarHBondContact O-NE 3.33Å; S103-R129 PolarHBondContact O-NH1 3.35Å; S103-E483 VanDerWaalsContact CB-OE1 3.26Å; S103-E483 WeakPolarHBondContact CB-OE1 3.14Å; S103-E483 PolarHBondContact N-OE1 2.94Å; S103-E483 PolarHBondContact OG-OE1 3.09Å; S103-E483 PolarHBondContact OG-OE2 2.88Å
104	K	96.4	Very high	95.7	Very high	66 Å²	66	45.9 Å²	45.9	29%	0.287	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-108.5	9.9	177.7	-61.2	-179.8	-175.2	179.5	0	112.8	V101 E102 P228 T231 V233	V101-K104 HydrophobicContact CB-CB 4.16Å; V101-K104 HydrophobicContact CB-CD 4.44Å; V101-K104 HydrophobicContact CB-CG 4.43Å; V101-K104 HydrophobicContact CG1-CB 3.92Å; V101-K104 HydrophobicContact CG1-CD 3.77Å; V101-K104 HydrophobicContact CG1-CG 3.69Å; V101-K104 CarbonylContact O-C 3.16Å; V101-K104 PolarHBondContact O-N 3.48Å; E102-K104 PolarHBondContact O-N 3.01Å; K104-P228 PolarHBondContact NZ-O 3.13Å; K104-T231 HydrophobicContact CB-CG2 4.48Å; K104-T231 HydrophobicContact CD-CG2 4.16Å; K104-T231 VanDerWaalsContact CD-O 3.32Å; K104-T231 WeakPolarHBondContact CD-O 3.48Å; K104-V233 PolarHBondContact O-N 2.77Å
105	T	98.3	Very high	95.7	Very high	13 Å²	13	44.5 Å²	44.5	8%	0.08	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	118.7	178	-56.6	0	0	0	0	108.9	V101 E102 R129 V233	V101-T105 PolarHBondContact O-N 3.33Å; V101-T105 PolarHBondContact O-OG1 3.27Å; E102-T105 PolarHBondContact O-N 2.96Å; T105-R129 WeakPolarHBondContact O-CB 3.37Å; T105-V233 CarbonylContact C-O 3.59Å; T105-V233 VanDerWaalsContact CA-O 3.3Å; T105-V233 WeakPolarHBondContact CA-O 3.44Å; T105-V233 HydrophobicContact CG2-CB 4.39Å
106	V	98.7	Very high	95.7	Very high	4 Å²	4	41.7 Å²	41.7	2%	0.024	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	156.5	-173.5	-58.4	0	0	0	0	112.6	R129 M131 L232 V233 A234 H235	V106-R129 CarbonylContact C-O 3.55Å; V106-R129 VanDerWaalsContact CA-O 3.27Å; V106-R129 WeakPolarHBondContact CA-O 3.39Å; V106-R129 HydrophobicContact CG1-CB 4.27Å; V106-R129 HydrophobicContact CG1-CG 3.97Å; V106-M131 HydrophobicContact CB-CB 3.94Å; V106-M131 HydrophobicContact CG1-CB 4.25Å; V106-M131 HydrophobicContact CG1-CE 4.16Å; V106-M131 HydrophobicContact CG2-CB 3.96Å; V106-M131 HydrophobicContact CG2-CE 4.09Å; V106-M131 HydrophobicContact CG2-SD 4.03Å; V106-L232 HydrophobicContact CG2-CD1 3.9Å; V106-V233 PolarHBondContact N-O 3.49Å; V106-A234 HydrophobicContact CG2-CB 3.83Å; V106-A234 WeakPolarHBondContact O-CA 3.32Å; V106-H235 PolarHBondContact O-N 2.9Å; V106-H235 PolarHBondContact O-ND1 2.86Å
107	I	98.8	Very high	95.8	Very high	6 Å²	6	39.4 Å²	39.4	3%	0.031	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	132.9	168.9	-57.8	172.9	0	0	0	107.7	T109 T115 R129 W130 M131 H235 P237 F500	I107-T109 HydrophobicContact CG2-CG2 4.22Å; I107-T115 HydrophobicContact CB-CG2 3.66Å; I107-T115 HydrophobicContact CD1-CG2 4.3Å; I107-T115 HydrophobicContact CG1-CG2 4.45Å; I107-T115 HydrophobicContact CG2-CG2 4.1Å; I107-T115 WeakPolarHBondContact CG2-OG1 3.33Å; I107-R129 PolarHBondContact N-O 3.12Å; I107-W130 WeakPolarHBondContact O-CA 3.35Å; I107-M131 PolarHBondContact O-N 3.02Å; I107-M131 VanDerWaalsContact O-N 3.12Å; I107-H235 CarbonylContact C-O 3.59Å; I107-H235 WeakPolarHBondContact CA-O 3.45Å; I107-H235 HydrophobicContact CG1-CB 4.17Å; I107-P237 HydrophobicContact CG2-CG 3.88Å; I107-F500 WeakPolarHBondContact CD1-O 3.2Å
108	V	98.7	Very high	95.6	Very high	6 Å²	6	42.3 Å²	42.3	4%	0.036	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	110.2	-176.1	-172.8	0	0	0	0	107.9	M131 P133 F136 H235 I236	V108-M131 WeakPolarHBondContact CA-O 3.49Å; V108-M131 HydrophobicContact CG2-CB 4.36Å; V108-P133 HydrophobicContact CG1-CB 4.35Å; V108-P133 HydrophobicContact CG1-CG 4.14Å; V108-F136 HydrophobicContact CG1-CB 4.01Å; V108-F136 HydrophobicContact CG1-CD1 4.44Å; V108-F136 HydrophobicContact CG1-CG 4.31Å; V108-F136 HydrophobicContact CG2-CB 3.87Å; V108-F136 HydrophobicContact CG2-CD1 4.38Å; V108-F136 HydrophobicContact CG2-CD2 3.89Å; V108-F136 HydrophobicContact CG2-CG 3.77Å; V108-H235 PolarHBondContact N-O 3.38Å; V108-I236 HydrophobicContact CB-CG1 3.97Å; V108-I236 HydrophobicContact CG2-CG1 4.2Å
109	T	98.6	Very high	95.4	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.012	20%	0.196	C	C	.	.			trans	-132.3	158.9	174.1	51.2	0	0	0	0	108.8	I107 E111 E114 T115 W130	I107-T109 HydrophobicContact CG2-CG2 4.22Å; T109-E111 VanDerWaalsContact C-N 3.3Å; T109-E111 PolarHBondContact O-N 2.94Å; T109-E111 PolarHBondContact OG1-O 3.3Å; T109-E114 HydrophobicContact CG2-CB 4.33Å; T109-T115 WeakPolarHBondContact CG2-OG1 3.19Å; T109-T115 PolarHBondContact OG1-OG1 3.1Å; T109-W130 PolarHBondContact O-NE1 3.19Å; T109-W130 PolarHBondContact OG1-NE1 2.9Å
110	R	97.2	Very high	95.4	Very high	198 Å²	198	45.3 Å²	45.3	75%	0.747	21%	0.214	S	C	*	.	S	Bend	trans	-56.9	-45	177.2	-176.3	179	178.2	176.1	-1.3	112.4
111	E	97	Very high	95.3	Very high	112 Å²	112	48.5 Å²	48.5	52%	0.523	25%	0.251	S	S	.	.	S	Bend	trans	-111.9	138.3	178.3	-61.9	-172.1	-179.4	0	0	111.2	T109 R113 E114	T109-E111 VanDerWaalsContact C-N 3.3Å; T109-E111 PolarHBondContact O-N 2.94Å; T109-E111 PolarHBondContact OG1-O 3.3Å; E111-R113 VanDerWaalsContact C-N 3.26Å; E111-R113 PolarHBondContact O-N 3.46Å; E111-E114 HydrophobicContact CB-CG 4.25Å; E111-E114 WeakPolarHBondContact O-CB 3.48Å; E111-E114 PolarHBondContact O-N 2.81Å
112	Q	96.9	Very high	94.9	Very high	85 Å²	85	50.2 Å²	50.2	40%	0.397	28%	0.275	S	S	.	.	H	α-helix	trans	-58.6	-39.7	177	-179.1	175.4	7.8	0	0	112.1	E114 T115 V116 W130	Q112-E114 PolarHBondContact O-N 2.76Å; Q112-T115 PolarHBondContact O-N 2.98Å; Q112-V116 HydrophobicContact CG-CG2 3.93Å; Q112-V116 PolarHBondContact O-N 2.84Å; Q112-W130 HydrophobicContact CB-CB 4.47Å; Q112-W130 HydrophobicContact CB-CD2 3.6Å; Q112-W130 HydrophobicContact CB-CE3 3.75Å; Q112-W130 HydrophobicContact CB-CG 3.95Å; Q112-W130 HydrophobicContact CB-CH2 4.5Å; Q112-W130 HydrophobicContact CB-CZ2 4.39Å; Q112-W130 HydrophobicContact CB-CZ3 4.2Å; Q112-W130 HydrophobicContact CG-CB 3.86Å; Q112-W130 HydrophobicContact CG-CD2 3.85Å; Q112-W130 HydrophobicContact CG-CE3 3.87Å; Q112-W130 HydrophobicContact CG-CG 3.89Å
113	R	97.1	Very high	94.6	Very high	112 Å²	112	50.5 Å²	50.5	42%	0.423	29%	0.289	S	S	.	.	H	α-helix	trans	-63.5	-21.7	-177.5	-166.2	175.7	178.8	-178.2	2	113	E111 T115 V116 N503 D618	E111-R113 VanDerWaalsContact C-N 3.26Å; E111-R113 PolarHBondContact O-N 3.46Å; R113-T115 VanDerWaalsContact C-N 3.3Å; R113-V116 VanDerWaalsContact CA-O 3.29Å; R113-V116 WeakPolarHBondContact CA-O 3.39Å; R113-N503 VanDerWaalsContact O-CB 3.31Å; R113-N503 WeakPolarHBondContact O-CB 3.34Å; R113-N503 PolarHBondContact O-ND2 2.88Å; R113-D618 IonicContact CZ-OD1 3.17Å; R113-D618 IonicContact NE-OD1 2.86Å; R113-D618 PolarHBondContact NE-OD1 2.79Å; R113-D618 IonicContact NE-OD2 3.31Å; R113-D618 PolarHBondContact NE-OD2 3.33Å; R113-D618 IonicContact NH2-OD1 2.67Å; R113-D618 PolarHBondContact NH2-OD1 2.99Å
114	E	97.6	Very high	94.4	Very high	48 Å²	48	54.2 Å²	54.2	22%	0.224	31%	0.31	C	S	.	.	H	α-helix	trans	-72.1	-25.9	173.1	-70.1	-170.7	-145.1	0	0	113.3	T109 E111 Q112 R267 Y502 N503	T109-E114 HydrophobicContact CG2-CB 4.33Å; E111-E114 HydrophobicContact CB-CG 4.25Å; E111-E114 WeakPolarHBondContact O-CB 3.48Å; E111-E114 PolarHBondContact O-N 2.81Å; Q112-E114 PolarHBondContact O-N 2.76Å; E114-R267 PolarHBondContact O-NH1 3.39Å; E114-R267 VanDerWaalsContact O-NH1 3.16Å; E114-R267 IonicContact OE2-CZ 2.7Å; E114-R267 IonicContact OE2-NH1 2.93Å; E114-R267 IonicContact OE2-NH2 2.58Å; E114-R267 PolarHBondContact OE2-NH2 2.65Å; E114-Y502 WeakPolarHBondContact O-CA 3.39Å; E114-Y502 WeakPolarHBondContact O-CB 3.36Å; E114-N503 PolarHBondContact O-N 3.39Å
115	T	98.1	Very high	94.3	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.006	30%	0.302	C	S	.	.	H	α-helix	trans	-94.3	-47.5	-178.5	-76	0	0	0	0	111.7	I107 T109 Q112 R113 W130 Y502 N503	I107-T115 HydrophobicContact CB-CG2 3.66Å; I107-T115 HydrophobicContact CD1-CG2 4.3Å; I107-T115 HydrophobicContact CG1-CG2 4.45Å; I107-T115 HydrophobicContact CG2-CG2 4.1Å; I107-T115 WeakPolarHBondContact CG2-OG1 3.33Å; T109-T115 WeakPolarHBondContact CG2-OG1 3.19Å; T109-T115 PolarHBondContact OG1-OG1 3.1Å; Q112-T115 PolarHBondContact O-N 2.98Å; R113-T115 VanDerWaalsContact C-N 3.3Å; T115-W130 HydrophobicContact CG2-CB 3.85Å; T115-W130 HydrophobicContact CG2-CG 4.49Å; T115-Y502 CarbonylContact O-C 3.59Å; T115-N503 PolarHBondContact O-N 2.9Å; T115-N503 VanDerWaalsContact O-N 3.12Å
116	V	98.1	Very high	94.2	Very high	2 Å²	2	56 Å²	56	1%	0.012	32%	0.32	C	S	.	.	S	Bend	trans	-137.5	150	179.6	-74.4	0	0	0	0	110.9	Q112 R113	Q112-V116 HydrophobicContact CG-CG2 3.93Å; Q112-V116 PolarHBondContact O-N 2.84Å; R113-V116 VanDerWaalsContact CA-O 3.29Å; R113-V116 WeakPolarHBondContact CA-O 3.39Å
117	P	97.3	Very high	94.1	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	32%	0.319	C	S	.	.			trans	-59.3	150.3	165.5	-16.1	28.6	0	0	0	110.9	P119 L127 N503 F504 Q614 V615 D618	P117-P119 WeakPolarHBondContact O-CD 3.43Å; P117-L127 HydrophobicContact CG-CD1 4.21Å; P117-N503 WeakPolarHBondContact CA-ND2 3.4Å; P117-F504 HydrophobicContact CG-CB 4.25Å; P117-Q614 WeakPolarHBondContact CB-O 3.32Å; P117-V615 HydrophobicContact CG-CG1 4.37Å; P117-D618 WeakPolarHBondContact CA-OD2 3.36Å; P117-D618 HydrophobicContact CB-CB 4.19Å
118	T	92.9	Very high	94	Very high	67 Å²	67	56.9 Å²	56.9	41%	0.411	33%	0.331	S	S	.	.			trans	-76	111	175.3	-56.6	0	0	0	0	109.3
119	P	91.1	Very high	93.9	Very high	6 Å²	6	62.6 Å²	62.6	4%	0.039	35%	0.352	C	S	.	.			trans	-66.3	143.6	-178	-20.7	36.1	0	0	0	111	P117 G121 G122 G123 T613	P117-P119 WeakPolarHBondContact O-CD 3.43Å; P119-G121 PolarHBondContact O-N 3.01Å; P119-G122 PolarHBondContact O-N 3.48Å; P119-G123 WeakPolarHBondContact CG-O 3.43Å; P119-T613 CarbonylContact C-O 3.17Å; P119-T613 WeakPolarHBondContact CA-O 2.97Å; P119-T613 WeakPolarHBondContact CB-O 3.39Å
120	L	91.3	Very high	93.9	Very high	94 Å²	94	65.7 Å²	65.7	49%	0.492	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-59.7	129.8	177.3	-172.6	67.4	0	0	0	110	G122 T612 T613	L120-G122 VanDerWaalsContact C-N 3.32Å; L120-T612 HydrophobicContact CD2-CG2 3.88Å; L120-T613 PolarHBondContact N-O 3.28Å
121	G	86	Confident	94	Very high	83 Å²	83	57.8 Å²	57.8	86%	0.856	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	79.9	6.8	-177.7	0	0	0	0	0	115.1	P119 G123	P119-G121 PolarHBondContact O-N 3.01Å; G121-G123 VanDerWaalsContact C-N 3.34Å; G121-G123 PolarHBondContact O-N 2.86Å
122	G	80.9	Confident	94	Very high	68 Å²	68	53.1 Å²	53.1	70%	0.701	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	74.9	17.9	172	0	0	0	0	0	115.3	P119 L120	P119-G122 PolarHBondContact O-N 3.48Å; L120-G122 VanDerWaalsContact C-N 3.32Å
123	G	83.4	Confident	94.1	Very high	44 Å²	44	50.9 Å²	50.9	45%	0.454	31%	0.308	S	S	.	.			trans	-70	174.2	176.2	0	0	0	0	0	113.7	P119 G121 S125	P119-G123 WeakPolarHBondContact CG-O 3.43Å; G121-G123 VanDerWaalsContact C-N 3.34Å; G121-G123 PolarHBondContact O-N 2.86Å; G123-S125 PolarHBondContact O-N 2.99Å
124	T	88.4	Confident	94.2	Very high	122 Å²	122	51.3 Å²	51.3	75%	0.748	32%	0.315	S	S	*	.			trans	-68.9	128.5	173.9	-51.2	0	0	0	0	110.6
125	S	95.1	Very high	94.2	Very high	17 Å²	17	54 Å²	54	12%	0.119	33%	0.327	C	S	.	.			trans	-66.8	141.1	175.7	-172.8	0	0	0	0	111.5	G123 L127	G123-S125 PolarHBondContact O-N 2.99Å; S125-L127 VanDerWaalsContact C-N 3.33Å; S125-L127 PolarHBondContact OG-N 3.29Å; S125-L127 VanDerWaalsContact OG-N 3.15Å
126	Q	95.1	Very high	94.2	Very high	98 Å²	98	54.4 Å²	54.4	46%	0.458	33%	0.329	S	S	.	.	S	Bend	trans	-87.5	-6.4	170.1	-60.5	177.2	12.4	0	0	112.4	R497	Q126-R497 WeakPolarHBondContact O-CG 3.44Å
127	L	97	Very high	94.2	Very high	2 Å²	2	58.5 Å²	58.5	1%	0.01	35%	0.351	C	S	.	.	S	Bend	trans	-102	10.8	-168.9	-71.1	165	0	0	0	113.5	P117 S125 P493 F500 F504 Y610 Q614 V615	P117-L127 HydrophobicContact CG-CD1 4.21Å; S125-L127 VanDerWaalsContact C-N 3.33Å; S125-L127 PolarHBondContact OG-N 3.29Å; S125-L127 VanDerWaalsContact OG-N 3.15Å; L127-P493 HydrophobicContact CD2-CG 3.87Å; L127-F500 HydrophobicContact CD2-CD2 4.2Å; L127-F500 HydrophobicContact CD2-CE2 3.77Å; L127-F504 HydrophobicContact CB-CB 4.45Å; L127-F504 HydrophobicContact CD1-CB 3.96Å; L127-F504 HydrophobicContact CD1-CD1 3.62Å; L127-F504 HydrophobicContact CD1-CG 4.15Å; L127-F504 HydrophobicContact CD2-CB 4.12Å; L127-F504 HydrophobicContact CD2-CD1 3.79Å; L127-F504 HydrophobicContact CD2-CE1 4.36Å; L127-F504 HydrophobicContact CD2-CG 3.93Å; L127-F504 HydrophobicContact CG-CB 4.42Å; L127-F504 HydrophobicContact CG-CD1 4.35Å; L127-Y610 VanDerWaalsContact CD2-OH 3.24Å; L127-Y610 WeakPolarHBondContact CD2-OH 3.48Å; L127-Q614 HydrophobicContact CD1-CB 3.91Å; L127-Q614 WeakPolarHBondContact CD1-O 3.36Å; L127-V615 HydrophobicContact CD1-CG2 4.32Å
128	G	96.6	Very high	94.3	Very high	27 Å²	27	65 Å²	65	28%	0.278	38%	0.379	S	S	.	.			trans	145.1	174.1	-177.7	0	0	0	0	0	111
129	R	97.6	Very high	94.5	Very high	126 Å²	126	62.2 Å²	62.2	48%	0.475	36%	0.363	S	S	.	.			trans	-132.2	121.9	177.2	-167.7	173.1	-177.9	144.6	7	109.2	S103 T105 V106 I107	S103-R129 WeakPolarHBondContact O-CD 3.43Å; S103-R129 VanDerWaalsContact O-CZ 3.26Å; S103-R129 PolarHBondContact O-NE 3.33Å; S103-R129 PolarHBondContact O-NH1 3.35Å; T105-R129 WeakPolarHBondContact O-CB 3.37Å; V106-R129 CarbonylContact C-O 3.55Å; V106-R129 VanDerWaalsContact CA-O 3.27Å; V106-R129 WeakPolarHBondContact CA-O 3.39Å; V106-R129 HydrophobicContact CG1-CB 4.27Å; V106-R129 HydrophobicContact CG1-CG 3.97Å; I107-R129 PolarHBondContact N-O 3.12Å
130	W	98.1	Very high	94.9	Very high	67 Å²	67	63.6 Å²	63.6	25%	0.254	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	149.5	174.9	176.5	75.1	0	0	0	110.5	I107 T109 Q112 T115 S132	I107-W130 WeakPolarHBondContact O-CA 3.35Å; T109-W130 PolarHBondContact O-NE1 3.19Å; T109-W130 PolarHBondContact OG1-NE1 2.9Å; Q112-W130 HydrophobicContact CB-CB 4.47Å; Q112-W130 HydrophobicContact CB-CD2 3.6Å; Q112-W130 HydrophobicContact CB-CE3 3.75Å; Q112-W130 HydrophobicContact CB-CG 3.95Å; Q112-W130 HydrophobicContact CB-CH2 4.5Å; Q112-W130 HydrophobicContact CB-CZ2 4.39Å; Q112-W130 HydrophobicContact CB-CZ3 4.2Å; Q112-W130 HydrophobicContact CG-CB 3.86Å; Q112-W130 HydrophobicContact CG-CD2 3.85Å; Q112-W130 HydrophobicContact CG-CE3 3.87Å; Q112-W130 HydrophobicContact CG-CG 3.89Å; T115-W130 HydrophobicContact CG2-CB 3.85Å; T115-W130 HydrophobicContact CG2-CG 4.49Å; W130-S132 VanDerWaalsContact CH2-CB 3.5Å
131	M	98.2	Very high	95.2	Very high	32 Å²	32	62.4 Å²	62.4	16%	0.158	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	137.1	169.4	175.4	-179.9	-75.7	0	0	107.5	V106 I107 V108 E135 F136 L232	V106-M131 HydrophobicContact CB-CB 3.94Å; V106-M131 HydrophobicContact CG1-CB 4.25Å; V106-M131 HydrophobicContact CG1-CE 4.16Å; V106-M131 HydrophobicContact CG2-CB 3.96Å; V106-M131 HydrophobicContact CG2-CE 4.09Å; V106-M131 HydrophobicContact CG2-SD 4.03Å; I107-M131 PolarHBondContact O-N 3.02Å; I107-M131 VanDerWaalsContact O-N 3.12Å; V108-M131 WeakPolarHBondContact CA-O 3.49Å; V108-M131 HydrophobicContact CG2-CB 4.36Å; M131-E135 HydrophobicContact CG-CB 3.76Å; M131-E135 HydrophobicContact SD-CB 4.48Å; M131-F136 HydrophobicContact CG-CB 4.21Å; M131-F136 HydrophobicContact SD-CB 3.84Å; M131-F136 HydrophobicContact SD-CD2 4.15Å; M131-L232 HydrophobicContact CE-CD1 3.97Å
132	S	98.4	Very high	95.8	Very high	15 Å²	15	65.2 Å²	65.2	11%	0.105	36%	0.364	C	S	.	.			trans	-69.6	154.2	179.3	98.6	0	0	0	0	111.2	W130 E134 E135 F136	W130-S132 VanDerWaalsContact CH2-CB 3.5Å; S132-E134 WeakPolarHBondContact CB-OE2 3.46Å; S132-E134 PolarHBondContact O-N 3.3Å; S132-E134 PolarHBondContact OG-N 3.45Å; S132-E134 PolarHBondContact OG-OE2 3.23Å; S132-E135 PolarHBondContact N-OE2 2.83Å; S132-E135 PolarHBondContact O-N 3.12Å; S132-E135 PolarHBondContact OG-N 2.84Å; S132-F136 WeakPolarHBondContact O-CB 3.36Å; S132-F136 PolarHBondContact O-N 2.97Å
133	P	98.4	Very high	96.6	Very high	38 Å²	38	64 Å²	64	25%	0.247	34%	0.338	C	S	.	.	H	α-helix	trans	-53.4	-40.1	173.2	-27.6	36.4	0	0	0	113.2	V108 F136 D137	V108-P133 HydrophobicContact CG1-CB 4.35Å; V108-P133 HydrophobicContact CG1-CG 4.14Å; P133-F136 WeakPolarHBondContact O-CB 3.31Å; P133-F136 PolarHBondContact O-N 2.79Å; P133-D137 PolarHBondContact O-N 3.48Å
134	E	98.3	Very high	97.4	Very high	120 Å²	120	62 Å²	62	56%	0.561	32%	0.317	S	S	*	.	H	α-helix	trans	-69.6	-38.8	-179.3	-55.1	75.5	-164.7	0	0	112.5	S132 F136 K138	S132-E134 WeakPolarHBondContact CB-OE2 3.46Å; S132-E134 PolarHBondContact O-N 3.3Å; S132-E134 PolarHBondContact OG-N 3.45Å; S132-E134 PolarHBondContact OG-OE2 3.23Å; E134-F136 VanDerWaalsContact C-N 3.33Å; E134-K138 WeakPolarHBondContact O-CG 3.33Å; E134-K138 PolarHBondContact O-N 3.05Å
135	E	98.4	Very high	97.8	Very high	104 Å²	104	59.9 Å²	59.9	49%	0.486	31%	0.305	S	S	.	.	H	α-helix	trans	-66.2	-39.7	173.4	-70	-178.4	141.8	0	0	111.2	M131 S132 K138 A139	M131-E135 HydrophobicContact CG-CB 3.76Å; M131-E135 HydrophobicContact SD-CB 4.48Å; S132-E135 PolarHBondContact N-OE2 2.83Å; S132-E135 PolarHBondContact O-N 3.12Å; S132-E135 PolarHBondContact OG-N 2.84Å; E135-K138 PolarHBondContact O-N 3.32Å; E135-A139 WeakPolarHBondContact O-CB 3.46Å; E135-A139 PolarHBondContact O-N 3.42Å
136	F	98.4	Very high	98	Very high	10 Å²	10	59.4 Å²	59.4	4%	0.044	30%	0.303	C	S	.	.	H	α-helix	trans	-64.1	-44.8	176.5	176.8	-109.3	0	0	0	112.1	V108 M131 S132 P133 E134 K138 A139 M140 A234 I236 I243	V108-F136 HydrophobicContact CG1-CB 4.01Å; V108-F136 HydrophobicContact CG1-CD1 4.44Å; V108-F136 HydrophobicContact CG1-CG 4.31Å; V108-F136 HydrophobicContact CG2-CB 3.87Å; V108-F136 HydrophobicContact CG2-CD1 4.38Å; V108-F136 HydrophobicContact CG2-CD2 3.89Å; V108-F136 HydrophobicContact CG2-CG 3.77Å; M131-F136 HydrophobicContact CG-CB 4.21Å; M131-F136 HydrophobicContact SD-CB 3.84Å; M131-F136 HydrophobicContact SD-CD2 4.15Å; S132-F136 WeakPolarHBondContact O-CB 3.36Å; S132-F136 PolarHBondContact O-N 2.97Å; P133-F136 WeakPolarHBondContact O-CB 3.31Å; P133-F136 PolarHBondContact O-N 2.79Å; E134-F136 VanDerWaalsContact C-N 3.33Å; F136-K138 VanDerWaalsContact C-N 3.31Å; F136-K138 PolarHBondContact O-N 3.04Å; F136-A139 CarbonylContact O-C 3.57Å; F136-A139 WeakPolarHBondContact O-CA 3.27Å; F136-A139 WeakPolarHBondContact O-CB 3.48Å; F136-A139 PolarHBondContact O-N 3.43Å; F136-M140 HydrophobicContact CD1-CG 4.21Å; F136-M140 HydrophobicContact CD2-CG 4.33Å; F136-M140 HydrophobicContact CE1-CG 3.68Å; F136-M140 HydrophobicContact CE1-SD 4.31Å; F136-M140 HydrophobicContact CE2-CG 3.8Å; F136-M140 HydrophobicContact CE2-SD 3.94Å; F136-M140 HydrophobicContact CZ-CG 3.44Å; F136-M140 VanDerWaalsContact CZ-CG 3.44Å; F136-M140 HydrophobicContact CZ-SD 3.56Å; F136-M140 VanDerWaalsContact CZ-SD 3.56Å; F136-M140 WeakPolarHBondContact O-CG 3.49Å; F136-M140 PolarHBondContact O-N 3.28Å; F136-A234 HydrophobicContact CD2-CB 3.87Å; F136-A234 HydrophobicContact CE2-CB 3.39Å; F136-A234 HydrophobicContact CZ-CB 4.29Å; F136-I236 HydrophobicContact CE1-CD1 3.95Å; F136-I236 HydrophobicContact CE1-CG1 4.09Å; F136-I236 HydrophobicContact CE2-CD1 4.36Å; F136-I236 HydrophobicContact CZ-CD1 3.71Å; F136-I236 HydrophobicContact CZ-CG1 4.29Å; F136-I243 HydrophobicContact CZ-CB 4.19Å; F136-I243 HydrophobicContact CZ-CG1 3.96Å
137	D	98.1	Very high	98.2	Very high	89 Å²	89	54.9 Å²	54.9	48%	0.476	28%	0.282	S	S	.	.	H	α-helix	trans	-60.5	-40.3	177.2	-74	-19.1	0	0	0	111.8	P133 M140 A141	P133-D137 PolarHBondContact O-N 3.48Å; D137-M140 WeakPolarHBondContact O-CB 3.35Å; D137-M140 PolarHBondContact O-N 3.36Å; D137-A141 WeakPolarHBondContact O-CB 3.25Å; D137-A141 PolarHBondContact O-N 2.64Å
138	K	98.5	Very high	98.3	Very high	137 Å²	137	54.8 Å²	54.8	60%	0.596	28%	0.281	S	S	*	.	H	α-helix	trans	-62.3	-44	171.9	-69.8	170.3	-173.5	171.3	0	111.4	E134 E135 F136 M140 A141 Q142	E134-K138 WeakPolarHBondContact O-CG 3.33Å; E134-K138 PolarHBondContact O-N 3.05Å; E135-K138 PolarHBondContact O-N 3.32Å; F136-K138 VanDerWaalsContact C-N 3.31Å; F136-K138 PolarHBondContact O-N 3.04Å; K138-M140 VanDerWaalsContact C-N 3.32Å; K138-M140 PolarHBondContact O-N 2.97Å; K138-A141 PolarHBondContact O-N 3.1Å; K138-Q142 VanDerWaalsContact O-CG 3.29Å; K138-Q142 WeakPolarHBondContact O-CG 3.35Å; K138-Q142 PolarHBondContact O-N 3.45Å; K138-Q142 VanDerWaalsContact O-N 3.15Å
139	A	98.3	Very high	98.4	Very high	8 Å²	8	58.1 Å²	58.1	7%	0.066	29%	0.288	C	S	.	.	H	α-helix	trans	-63.7	-38	179.3	0	0	0	0	0	112.2	E135 F136 R143 L232	E135-A139 WeakPolarHBondContact O-CB 3.46Å; E135-A139 PolarHBondContact O-N 3.42Å; F136-A139 CarbonylContact O-C 3.57Å; F136-A139 WeakPolarHBondContact O-CA 3.27Å; F136-A139 WeakPolarHBondContact O-CB 3.48Å; F136-A139 PolarHBondContact O-N 3.43Å; A139-R143 WeakPolarHBondContact O-CB 3.31Å; A139-R143 WeakPolarHBondContact O-CD 3.43Å; A139-R143 VanDerWaalsContact O-CG 3.31Å; A139-R143 WeakPolarHBondContact O-CG 3.36Å; A139-R143 PolarHBondContact O-N 3.37Å; A139-R143 PolarHBondContact O-NH1 2.83Å; A139-L232 HydrophobicContact CB-CD2 3.77Å
140	M	98.1	Very high	98.4	Very high	34 Å²	34	53.5 Å²	53.5	17%	0.167	28%	0.28	C	S	.	.	H	α-helix	trans	-62.4	-51.3	173.8	-76.3	-64.6	-69.3	0	0	111.7	L50 F136 D137 K138 Q142 R143 F144 P145 L207 I243	L50-M140 HydrophobicContact CD2-CE 4.38Å; F136-M140 HydrophobicContact CD1-CG 4.21Å; F136-M140 HydrophobicContact CD2-CG 4.33Å; F136-M140 HydrophobicContact CE1-CG 3.68Å; F136-M140 HydrophobicContact CE1-SD 4.31Å; F136-M140 HydrophobicContact CE2-CG 3.8Å; F136-M140 HydrophobicContact CE2-SD 3.94Å; F136-M140 HydrophobicContact CZ-CG 3.44Å; F136-M140 VanDerWaalsContact CZ-CG 3.44Å; F136-M140 HydrophobicContact CZ-SD 3.56Å; F136-M140 VanDerWaalsContact CZ-SD 3.56Å; F136-M140 WeakPolarHBondContact O-CG 3.49Å; F136-M140 PolarHBondContact O-N 3.28Å; D137-M140 WeakPolarHBondContact O-CB 3.35Å; D137-M140 PolarHBondContact O-N 3.36Å; K138-M140 VanDerWaalsContact C-N 3.32Å; K138-M140 PolarHBondContact O-N 2.97Å; M140-Q142 PolarHBondContact O-N 2.76Å; M140-R143 PolarHBondContact O-N 2.7Å; M140-F144 HydrophobicContact CE-CB 4.46Å; M140-F144 HydrophobicContact CE-CD2 3.7Å; M140-F144 HydrophobicContact CE-CE2 4.15Å; M140-F144 HydrophobicContact CE-CG 4.06Å; M140-F144 PolarHBondContact O-N 2.86Å; M140-F144 HydrophobicContact SD-CD2 3.48Å; M140-F144 WeakPolarHBondContact SD-CD2 3.46Å; M140-F144 HydrophobicContact SD-CE2 3.57Å; M140-F144 VanDerWaalsContact SD-CE2 3.57Å; M140-F144 HydrophobicContact SD-CG 4.41Å; M140-P145 WeakPolarHBondContact O-CD 3.28Å; M140-L207 HydrophobicContact CE-CD2 4.49Å; M140-I243 HydrophobicContact CE-CG2 4.08Å; M140-I243 HydrophobicContact SD-CB 4.37Å; M140-I243 HydrophobicContact SD-CG1 4.49Å; M140-I243 HydrophobicContact SD-CG2 3.55Å; M140-I243 VanDerWaalsContact SD-CG2 3.55Å
141	A	98.2	Very high	98.4	Very high	70 Å²	70	52.3 Å²	52.3	58%	0.579	28%	0.275	S	S	*	.	H	α-helix	trans	-60.8	-29.4	-179.2	0	0	0	0	0	113	D137 K138 P145	D137-A141 WeakPolarHBondContact O-CB 3.25Å; D137-A141 PolarHBondContact O-N 2.64Å; K138-A141 PolarHBondContact O-N 3.1Å; A141-P145 WeakPolarHBondContact O-CD 3.38Å; A141-P145 WeakPolarHBondContact O-CG 3.47Å
142	Q	98.1	Very high	98.4	Very high	142 Å²	142	51.9 Å²	51.9	66%	0.664	27%	0.274	S	S	*	.	H	α-helix	trans	-78.8	-20.9	177.4	-71.9	171.6	-0.8	0	0	114.1	K138 M140	K138-Q142 VanDerWaalsContact O-CG 3.29Å; K138-Q142 WeakPolarHBondContact O-CG 3.35Å; K138-Q142 PolarHBondContact O-N 3.45Å; K138-Q142 VanDerWaalsContact O-N 3.15Å; M140-Q142 PolarHBondContact O-N 2.76Å
143	R	98.6	Very high	98.5	Very high	43 Å²	43	51.1 Å²	51.1	16%	0.162	27%	0.269	C	S	.	.	H	α-helix	trans	-111.8	-53.8	-166.1	-75.2	172.5	178.3	70.8	0.5	113.8	A139 M140 C147 Q230 F245	A139-R143 WeakPolarHBondContact O-CB 3.31Å; A139-R143 WeakPolarHBondContact O-CD 3.43Å; A139-R143 VanDerWaalsContact O-CG 3.31Å; A139-R143 WeakPolarHBondContact O-CG 3.36Å; A139-R143 PolarHBondContact O-N 3.37Å; A139-R143 PolarHBondContact O-NH1 2.83Å; M140-R143 PolarHBondContact O-N 2.7Å; R143-C147 WeakPolarHBondContact O-CB 3.44Å; R143-Q230 PolarHBondContact NE-O 2.94Å; R143-Q230 PolarHBondContact NH2-O 3.36Å; R143-F245 HydrophobicContact CB-CD1 4Å; R143-F245 HydrophobicContact CB-CD2 3.82Å; R143-F245 HydrophobicContact CB-CE1 4.01Å; R143-F245 HydrophobicContact CB-CE2 3.83Å; R143-F245 HydrophobicContact CB-CG 3.89Å; R143-F245 HydrophobicContact CB-CZ 3.91Å; R143-F245 HydrophobicContact CG-CD1 3.77Å; R143-F245 HydrophobicContact CG-CD2 4.49Å; R143-F245 HydrophobicContact CG-CE1 3.86Å; R143-F245 HydrophobicContact CG-CG 4.09Å; R143-F245 HydrophobicContact CG-CZ 4.25Å; R143-F245 WeakPolarHBondContact O-CE2 3.32Å; R143-F245 WeakPolarHBondContact O-CZ 3.34Å
144	F	98.8	Very high	98.5	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.009	26%	0.259	C	S	.	.	S	Bend	trans	-83.3	-30.9	-165.7	-77.3	-88.1	0	0	0	116.1	L50 M140 G146 C147 L207 I243 F245	L50-F144 HydrophobicContact CD1-CB 4.28Å; L50-F144 HydrophobicContact CD2-CB 3.81Å; L50-F144 HydrophobicContact CG-CB 3.97Å; M140-F144 HydrophobicContact CE-CB 4.46Å; M140-F144 HydrophobicContact CE-CD2 3.7Å; M140-F144 HydrophobicContact CE-CE2 4.15Å; M140-F144 HydrophobicContact CE-CG 4.06Å; M140-F144 PolarHBondContact O-N 2.86Å; M140-F144 HydrophobicContact SD-CD2 3.48Å; M140-F144 WeakPolarHBondContact SD-CD2 3.46Å; M140-F144 HydrophobicContact SD-CE2 3.57Å; M140-F144 VanDerWaalsContact SD-CE2 3.57Å; M140-F144 HydrophobicContact SD-CG 4.41Å; F144-G146 PolarHBondContact O-N 2.99Å; F144-C147 WeakPolarHBondContact O-CB 3.31Å; F144-C147 PolarHBondContact O-N 2.71Å; F144-C147 PolarHBondContact O-SG 3.19Å; F144-L207 HydrophobicContact CD1-CD2 3.53Å; F144-L207 HydrophobicContact CD1-CG 4.1Å; F144-L207 HydrophobicContact CE1-CD2 3.47Å; F144-L207 VanDerWaalsContact CE1-CD2 3.47Å; F144-L207 HydrophobicContact CE1-CG 3.64Å; F144-L207 HydrophobicContact CG-CD2 4.29Å; F144-L207 HydrophobicContact CZ-CD2 4.18Å; F144-L207 HydrophobicContact CZ-CG 4.42Å; F144-I243 HydrophobicContact CD2-CG2 4.31Å; F144-I243 HydrophobicContact CE1-CG2 4.07Å; F144-I243 HydrophobicContact CE2-CG2 3.34Å; F144-I243 HydrophobicContact CZ-CG2 3.19Å; F144-F245 HydrophobicContact CD1-CD2 4.42Å; F144-F245 HydrophobicContact CD2-CD2 4.33Å; F144-F245 HydrophobicContact CE1-CD2 4.1Å; F144-F245 HydrophobicContact CE2-CB 3.94Å; F144-F245 HydrophobicContact CE2-CD2 4.01Å; F144-F245 HydrophobicContact CE2-CG 4.34Å; F144-F245 HydrophobicContact CZ-CB 3.83Å; F144-F245 AromaticContact CZ-CD2 3.89Å; F144-F245 HydrophobicContact CZ-CD2 3.89Å; F144-F245 HydrophobicContact CZ-CG 4.34Å
145	P	98.8	Very high	98.5	Very high	77 Å²	77	44 Å²	44	50%	0.5	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	112.8	178.9	-30.6	38	0	0	0	113	L50 M140 A141 C147	L50-P145 HydrophobicContact CD1-CG 3.97Å; L50-P145 CarbonylContact O-C 3.49Å; L50-P145 VanDerWaalsContact O-CA 3.31Å; L50-P145 WeakPolarHBondContact O-CA 3.47Å; M140-P145 WeakPolarHBondContact O-CD 3.28Å; A141-P145 WeakPolarHBondContact O-CD 3.38Å; A141-P145 WeakPolarHBondContact O-CG 3.47Å; P145-C147 VanDerWaalsContact C-N 3.29Å; P145-C147 PolarHBondContact O-N 3.04Å
146	G	98.6	Very high	98.5	Very high	6 Å²	6	39 Å²	39	6%	0.062	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.5	19.3	-179.6	0	0	0	0	0	115.6	L50 C51 F144 M148 K149 P213	L50-G146 PolarHBondContact O-N 3.43Å; C51-G146 CarbonylContact O-C 3.48Å; C51-G146 VanDerWaalsContact O-CA 3.24Å; C51-G146 WeakPolarHBondContact O-CA 3.27Å; F144-G146 PolarHBondContact O-N 2.99Å; G146-M148 PolarHBondContact O-N 2.8Å; G146-K149 WeakPolarHBondContact O-CG 3.4Å; G146-K149 PolarHBondContact O-N 3.34Å; G146-P213 WeakPolarHBondContact O-CB 3.49Å
147	C	98.8	Very high	98.6	Very high	3 Å²	3	38.6 Å²	38.6	2%	0.02	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-20	-175.6	65.6	0	0	0	0	114.6	C51 R143 F144 P145 P213 F245	C51-C147 PolarHBondContact O-N 3.22Å; R143-C147 WeakPolarHBondContact O-CB 3.44Å; F144-C147 WeakPolarHBondContact O-CB 3.31Å; F144-C147 PolarHBondContact O-N 2.71Å; F144-C147 PolarHBondContact O-SG 3.19Å; P145-C147 VanDerWaalsContact C-N 3.29Å; P145-C147 PolarHBondContact O-N 3.04Å; C147-P213 WeakPolarHBondContact O-CA 3.42Å; C147-P213 WeakPolarHBondContact O-CB 3.29Å; C147-F245 HydrophobicContact CB-CE2 3.78Å
148	M	98.8	Very high	98.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	12.4	-178.6	-61.9	-173.1	-179.2	0	0	113.6	C51 P53 G146 G150 R151 M153 D176 L207 H208	C51-M148 HydrophobicContact CB-CB 4Å; C51-M148 HydrophobicContact CB-CE 4.47Å; C51-M148 HydrophobicContact CB-CG 3.75Å; C51-M148 HydrophobicContact CB-SD 3.84Å; C51-M148 PolarHBondContact O-N 2.91Å; P53-M148 WeakPolarHBondContact CA-O 3.38Å; P53-M148 HydrophobicContact CB-CB 4.01Å; G146-M148 PolarHBondContact O-N 2.8Å; M148-G150 PolarHBondContact O-N 2.81Å; M148-R151 WeakPolarHBondContact O-CA 3.13Å; M148-R151 WeakPolarHBondContact O-CB 3.18Å; M148-R151 PolarHBondContact O-N 2.83Å; M148-M153 HydrophobicContact CE-CE 4.02Å; M148-M153 HydrophobicContact SD-CB 3.89Å; M148-M153 HydrophobicContact SD-CE 3.31Å; M148-M153 WeakPolarHBondContact SD-CE 3.35Å; M148-M153 HydrophobicContact SD-CG 4.04Å; M148-D176 HydrophobicContact CB-CB 4.43Å; M148-D176 HydrophobicContact CE-CB 4.08Å; M148-D176 HydrophobicContact CG-CB 3.77Å; M148-D176 HydrophobicContact SD-CB 3.92Å; M148-L207 HydrophobicContact CE-CD1 4.42Å; M148-H208 WeakPolarHBondContact CE-O 3.4Å
149	K	98.6	Very high	98.6	Very high	98 Å²	98	27.8 Å²	27.8	43%	0.426	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50	131.2	177.5	-78.6	-178.9	179.9	-175.6	0	112.1	Q52 G146 R151 P213 L214	Q52-K149 HydrophobicContact CB-CG 4.12Å; Q52-K149 VanDerWaalsContact O-CA 3.31Å; Q52-K149 WeakPolarHBondContact O-CA 3.33Å; Q52-K149 PolarHBondContact O-N 3.2Å; G146-K149 WeakPolarHBondContact O-CG 3.4Å; G146-K149 PolarHBondContact O-N 3.34Å; K149-R151 PolarHBondContact O-N 2.93Å; K149-P213 HydrophobicContact CB-CB 4.03Å; K149-L214 WeakPolarHBondContact O-CB 3.43Å; K149-L214 PolarHBondContact O-N 3.21Å
150	G	97.9	Very high	98.6	Very high	29 Å²	29	27.5 Å²	27.5	30%	0.299	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.1	12.4	-178.1	0	0	0	0	0	114.8	E54 M148 L214	E54-G150 WeakPolarHBondContact OE2-CA 3.36Å; M148-G150 PolarHBondContact O-N 2.81Å; G150-L214 WeakPolarHBondContact O-CD1 3.22Å
151	R	98.6	Very high	98.6	Very high	41 Å²	41	25.9 Å²	25.9	16%	0.155	15%	0.146	C	C	.	.	S	Bend	trans	-118.5	159.1	177.6	-58.5	-175.1	174.5	-82	-5.4	110.9	P53 E54 S55 M148 K149 D176 C212	P53-R151 WeakPolarHBondContact CB-O 3.42Å; E54-R151 PolarHBondContact N-O 3.01Å; S55-R151 PolarHBondContact N-O 2.81Å; M148-R151 WeakPolarHBondContact O-CA 3.13Å; M148-R151 WeakPolarHBondContact O-CB 3.18Å; M148-R151 PolarHBondContact O-N 2.83Å; K149-R151 PolarHBondContact O-N 2.93Å; R151-D176 HydrophobicContact CB-CB 4.19Å; R151-C212 VanDerWaalsContact CZ-O 3.24Å; R151-C212 PolarHBondContact NE-O 2.94Å; R151-C212 PolarHBondContact NH2-O 3.27Å
152	T	98.8	Very high	98.6	Very high	23 Å²	23	22.9 Å²	22.9	14%	0.141	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	130.4	167.3	-55.2	0	0	0	0	109.4	L29 S55 H57 Y154 D176	L29-T152 HydrophobicContact CD1-CG2 4.03Å; S55-T152 CarbonylContact O-C 3.58Å; S55-T152 WeakPolarHBondContact O-CA 3.29Å; S55-T152 WeakPolarHBondContact OG-CA 3.33Å; S55-T152 WeakPolarHBondContact OG-CB 3.35Å; S55-T152 PolarHBondContact OG-OG1 3.37Å; H57-T152 HydrophobicContact CB-CG2 3.65Å; T152-Y154 HydrophobicContact CG2-CD1 4.28Å; T152-Y154 HydrophobicContact CG2-CD2 4.38Å; T152-Y154 HydrophobicContact CG2-CE1 3.97Å; T152-Y154 HydrophobicContact CG2-CE2 4.1Å; T152-Y154 HydrophobicContact CG2-CG 4.46Å; T152-D176 WeakPolarHBondContact O-CA 3.4Å
153	M	98.9	Very high	98.6	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	117.8	162.1	177	-177.3	-74.2	0	0	108.5	N47 V48 C51 P53 S55 L56 H57 M148 L174 T175	N47-M153 HydrophobicContact CB-CE 4.2Å; V48-M153 HydrophobicContact CG2-SD 3.93Å; C51-M153 HydrophobicContact CB-CE 3.83Å; P53-M153 HydrophobicContact CB-CB 3.71Å; P53-M153 HydrophobicContact CG-CB 3.8Å; P53-M153 HydrophobicContact CG-CE 4.11Å; P53-M153 HydrophobicContact CG-SD 4.45Å; S55-M153 PolarHBondContact O-N 3.1Å; L56-M153 CarbonylContact C-O 3.49Å; L56-M153 WeakPolarHBondContact CA-O 3.35Å; L56-M153 HydrophobicContact CD1-CB 4.04Å; L56-M153 HydrophobicContact CD1-CG 4.02Å; L56-M153 HydrophobicContact CD1-SD 4.04Å; H57-M153 PolarHBondContact N-O 2.83Å; M148-M153 HydrophobicContact CE-CE 4.02Å; M148-M153 HydrophobicContact SD-CB 3.89Å; M148-M153 HydrophobicContact SD-CE 3.31Å; M148-M153 WeakPolarHBondContact SD-CE 3.35Å; M148-M153 HydrophobicContact SD-CG 4.04Å; M153-L174 HydrophobicContact CG-CB 4.32Å; M153-L174 HydrophobicContact SD-CB 4.27Å; M153-L174 HydrophobicContact SD-CD1 4.12Å; M153-L174 HydrophobicContact SD-CD2 4.48Å; M153-T175 CarbonylContact C-O 3.58Å
154	Y	98.9	Very high	98.5	Very high	6 Å²	6	18.4 Å²	18.4	2%	0.024	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	133.1	172.2	-60.4	-86.7	0	0	0	109.7	H57 I69 Q72 T152 L174 T175 P178 V181	H57-Y154 HydrophobicContact CB-CD1 3.62Å; H57-Y154 HydrophobicContact CB-CE1 3.9Å; H57-Y154 HydrophobicContact CB-CG 4.48Å; H57-Y154 AromaticContact CD2-CD1 3.87Å; H57-Y154 AromaticContact CG-CD1 3.74Å; H57-Y154 AromaticContact CG-CE1 3.89Å; H57-Y154 CarbonylContact O-C 3.44Å; H57-Y154 VanDerWaalsContact O-CA 3.31Å; H57-Y154 WeakPolarHBondContact O-CA 3.37Å; I69-Y154 HydrophobicContact CD1-CD1 4.35Å; I69-Y154 HydrophobicContact CD1-CE1 3.54Å; Q72-Y154 PolarHBondContact NE2-OH 3.17Å; T152-Y154 HydrophobicContact CG2-CD1 4.28Å; T152-Y154 HydrophobicContact CG2-CD2 4.38Å; T152-Y154 HydrophobicContact CG2-CE1 3.97Å; T152-Y154 HydrophobicContact CG2-CE2 4.1Å; T152-Y154 HydrophobicContact CG2-CG 4.46Å; Y154-L174 VanDerWaalsContact O-CA 3.31Å; Y154-L174 WeakPolarHBondContact O-CA 3.47Å; Y154-T175 WeakPolarHBondContact CD2-O 3.48Å; Y154-T175 PolarHBondContact N-O 2.96Å; Y154-T175 PolarHBondContact O-N 2.86Å; Y154-P178 HydrophobicContact CE2-CB 4.24Å; Y154-V181 HydrophobicContact CD1-CG2 3.86Å; Y154-V181 HydrophobicContact CD2-CG2 3.89Å; Y154-V181 HydrophobicContact CG-CG2 3.48Å; Y154-V181 VanDerWaalsContact CG-CG2 3.48Å
155	V	98.9	Very high	98.3	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.006	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	108.2	172.1	-172.1	0	0	0	0	107.5	V44 L56 H57 I58 C59 P157 V172 L174	V44-V155 HydrophobicContact CG1-CG2 4.14Å; V44-V155 HydrophobicContact CG2-CG1 3.9Å; V44-V155 HydrophobicContact CG2-CG2 3.89Å; L56-V155 HydrophobicContact CD1-CG2 3.71Å; L56-V155 HydrophobicContact CG-CG2 4.2Å; H57-V155 PolarHBondContact O-N 3.37Å; I58-V155 HydrophobicContact CG1-CB 4.25Å; I58-V155 HydrophobicContact CG1-CG2 4.13Å; I58-V155 HydrophobicContact CG2-CB 4.5Å; C59-V155 WeakPolarHBondContact CB-O 3.24Å; C59-V155 PolarHBondContact N-O 2.91Å; V155-P157 WeakPolarHBondContact O-CD 3.41Å; V155-V172 HydrophobicContact CG1-CG1 3.72Å; V155-L174 HydrophobicContact CB-CD2 4.12Å; V155-L174 HydrophobicContact CG1-CD2 3.87Å; V155-L174 HydrophobicContact CG2-CD2 3.86Å
156	V	98.9	Very high	98.2	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	92.8	-173.9	-172.4	0	0	0	0	108.8	F158 E173 T175 V181 M184 M190	V156-F158 WeakPolarHBondContact O-CD1 3.47Å; V156-E173 HydrophobicContact CB-CB 4.22Å; V156-E173 WeakPolarHBondContact CB-O 3.47Å; V156-E173 PolarHBondContact N-O 2.67Å; V156-E173 PolarHBondContact O-N 2.86Å; V156-T175 HydrophobicContact CG2-CG2 4.2Å; V156-V181 HydrophobicContact CG2-CG2 4Å; V156-M184 HydrophobicContact CG1-CB 4.17Å; V156-M190 HydrophobicContact CG1-CE 4.5Å; V156-M190 HydrophobicContact CG1-CG 3.46Å; V156-M190 VanDerWaalsContact CG1-CG 3.46Å; V156-M190 HydrophobicContact CG1-SD 4.23Å
157	P	98.8	Very high	98	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.006	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	125.7	170.5	30.4	-33.5	0	0	0	109.7	V155 M190 G191 V194 L195	V155-P157 WeakPolarHBondContact O-CD 3.41Å; P157-M190 WeakPolarHBondContact O-CA 3.17Å; P157-G191 PolarHBondContact O-N 2.71Å; P157-V194 HydrophobicContact CB-CB 4.43Å; P157-V194 HydrophobicContact CB-CG1 4.39Å; P157-L195 HydrophobicContact CB-CD1 4.4Å; P157-L195 HydrophobicContact CB-CD2 3.65Å; P157-L195 HydrophobicContact CB-CG 3.63Å; P157-L195 HydrophobicContact CG-CD1 3.92Å; P157-L195 HydrophobicContact CG-CD2 4.09Å; P157-L195 HydrophobicContact CG-CG 3.66Å
158	F	98.9	Very high	98	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	148.8	-177.4	69.7	-87.2	0	0	0	113.8	V156 M160 I170 G171 E173 M184 T188 R189 V194 F260	V156-F158 WeakPolarHBondContact O-CD1 3.47Å; F158-M160 HydrophobicContact CD2-CG 4.07Å; F158-M160 HydrophobicContact CD2-SD 3.75Å; F158-M160 HydrophobicContact CE2-CG 3.75Å; F158-M160 HydrophobicContact CE2-SD 3.66Å; F158-I170 WeakPolarHBondContact O-CA 3.27Å; F158-G171 WeakPolarHBondContact CD1-O 3.39Å; F158-G171 VanDerWaalsContact CE1-C 3.49Å; F158-G171 PolarHBondContact N-O 3.33Å; F158-G171 PolarHBondContact O-N 3.38Å; F158-E173 HydrophobicContact CD1-CB 4.3Å; F158-E173 HydrophobicContact CE1-CB 3.87Å; F158-M184 HydrophobicContact CB-CE 4.36Å; F158-M184 HydrophobicContact CD1-CE 3.68Å; F158-M184 HydrophobicContact CD2-CE 4Å; F158-M184 HydrophobicContact CE1-CE 3.91Å; F158-M184 HydrophobicContact CE2-CE 4.18Å; F158-M184 HydrophobicContact CG-CE 3.74Å; F158-M184 HydrophobicContact CZ-CE 4.14Å; F158-T188 HydrophobicContact CB-CG2 4.42Å; F158-T188 WeakPolarHBondContact CB-OG1 3.22Å; F158-T188 HydrophobicContact CD2-CG2 3.94Å; F158-T188 HydrophobicContact CG-CG2 4.39Å; F158-R189 CarbonylContact C-O 3.46Å; F158-R189 VanDerWaalsContact CA-O 3.22Å; F158-R189 WeakPolarHBondContact CA-O 3.32Å; F158-V194 VanDerWaalsContact C-CG1 3.5Å; F158-F260 AromaticContact CE2-CD1 3.76Å; F158-F260 HydrophobicContact CE2-CD1 3.76Å; F158-F260 HydrophobicContact CE2-CE1 4.16Å; F158-F260 AromaticContact CZ-CD1 3.92Å; F158-F260 HydrophobicContact CZ-CD1 3.92Å; F158-F260 HydrophobicContact CZ-CE1 4.45Å
159	S	98.9	Very high	98	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	129.8	172.2	-180	0	0	0	0	109.9	G161 R189	S159-G161 PolarHBondContact OG-O 2.83Å; S159-R189 PolarHBondContact N-O 2.75Å; S159-R189 PolarHBondContact O-N 2.76Å
160	M	98.8	Very high	98	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.005	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	113.6	163.7	-61.2	-51.5	-58.5	0	0	107.8	F158 S168 K169 T188 G256 F260 A261 W328 P342 E343	F158-M160 HydrophobicContact CD2-CG 4.07Å; F158-M160 HydrophobicContact CD2-SD 3.75Å; F158-M160 HydrophobicContact CE2-CG 3.75Å; F158-M160 HydrophobicContact CE2-SD 3.66Å; M160-S168 WeakPolarHBondContact O-CA 3.28Å; M160-S168 VanDerWaalsContact O-CB 3.31Å; M160-S168 WeakPolarHBondContact O-CB 3.32Å; M160-K169 PolarHBondContact N-O 3.49Å; M160-K169 PolarHBondContact O-N 3.3Å; M160-T188 HydrophobicContact SD-CG2 3.65Å; M160-G256 VanDerWaalsContact CE-O 3.25Å; M160-G256 WeakPolarHBondContact CE-O 3.29Å; M160-F260 HydrophobicContact CG-CD1 3.78Å; M160-F260 HydrophobicContact CG-CE1 3.86Å; M160-F260 HydrophobicContact CG-CG 4.47Å; M160-A261 HydrophobicContact CE-CB 3.79Å; M160-W328 HydrophobicContact CB-CH2 3.44Å; M160-W328 VanDerWaalsContact CB-CH2 3.44Å; M160-W328 HydrophobicContact CB-CZ2 4.13Å; M160-W328 HydrophobicContact CB-CZ3 3.96Å; M160-W328 HydrophobicContact CG-CH2 4.31Å; M160-P342 CarbonylContact C-O 3.5Å; M160-P342 WeakPolarHBondContact CA-O 3.19Å; M160-P342 HydrophobicContact CB-CB 4.02Å; M160-P342 HydrophobicContact CE-CB 3.98Å; M160-P342 WeakPolarHBondContact CE-O 3.25Å; M160-E343 HydrophobicContact CE-CG 4.34Å
161	G	98.3	Very high	98	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.114	C	C	.	.	S	Bend	trans	95.9	166.4	-169.7	0	0	0	0	0	112.8	S159 V163 P342	S159-G161 PolarHBondContact OG-O 2.83Å; G161-V163 PolarHBondContact O-N 2.91Å; G161-P342 VanDerWaalsContact N-CA 3.32Å; G161-P342 PolarHBondContact N-O 2.87Å
162	P	98	Very high	98	Very high	8 Å²	8	16.8 Å²	16.8	5%	0.052	11%	0.107	C	C	.	.	S	Bend	trans	-53.8	133.8	174.9	-24.6	35.5	0	0	0	110.4	G164 S165 S168 E435	P162-G164 PolarHBondContact O-N 3.12Å; P162-S165 VanDerWaalsContact O-CB 3.24Å; P162-S165 WeakPolarHBondContact O-CB 3.37Å; P162-S165 PolarHBondContact O-N 3.42Å; P162-S168 WeakPolarHBondContact O-CB 3.5Å; P162-E435 HydrophobicContact CB-CB 4.37Å; P162-E435 WeakPolarHBondContact CB-O 3.32Å; P162-E435 HydrophobicContact CG-CB 4.07Å; P162-E435 VanDerWaalsContact CG-O 3.28Å; P162-E435 WeakPolarHBondContact CG-O 3.36Å
163	V	97.7	Very high	98.1	Very high	52 Å²	52	15.7 Å²	15.7	32%	0.315	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	127.3	-178.1	-177.1	0	0	0	0	109.1	G161 S165 R189 T193 V194 E197	G161-V163 PolarHBondContact O-N 2.91Å; V163-S165 VanDerWaalsContact C-N 3.34Å; V163-R189 HydrophobicContact CG2-CB 3.94Å; V163-R189 HydrophobicContact CG2-CG 4.33Å; V163-T193 HydrophobicContact CG1-CG2 4.32Å; V163-V194 HydrophobicContact CG2-CG2 4.42Å; V163-E197 HydrophobicContact CG1-CB 3.79Å; V163-E197 HydrophobicContact CG1-CG 3.84Å
164	G	95.1	Very high	98.1	Very high	38 Å²	38	15.7 Å²	15.7	39%	0.392	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.9	-0.8	-176.5	0	0	0	0	0	115	P162	P162-G164 PolarHBondContact O-N 3.12Å
165	S	96.3	Very high	98.1	Very high	4 Å²	4	15.4 Å²	15.4	3%	0.028	10%	0.099	C	C	.	.			trans	-63.5	138.9	170.5	170.2	0	0	0	0	110.1	P162 V163 L167 S168 P437	P162-S165 VanDerWaalsContact O-CB 3.24Å; P162-S165 WeakPolarHBondContact O-CB 3.37Å; P162-S165 PolarHBondContact O-N 3.42Å; V163-S165 VanDerWaalsContact C-N 3.34Å; S165-L167 PolarHBondContact O-N 3Å; S165-L167 VanDerWaalsContact O-N 3.11Å; S165-L167 PolarHBondContact OG-N 3.38Å; S165-L167 VanDerWaalsContact OG-N 3.16Å; S165-S168 WeakPolarHBondContact O-CB 3.44Å; S165-S168 PolarHBondContact O-N 2.77Å; S165-S168 PolarHBondContact O-OG 3.37Å; S165-P437 PolarHBondContact OG-O 2.7Å
166	P	95.4	Very high	98.1	Very high	111 Å²	111	15.6 Å²	15.6	72%	0.721	10%	0.1	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-15.1	173.8	27.9	-37	0	0	0	113.5	P437	P166-P437 WeakPolarHBondContact CD-O 3.5Å
167	L	96	Very high	98.1	Very high	23 Å²	23	15.8 Å²	15.8	12%	0.12	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95	-12.7	174	-61.2	179.2	0	0	0	112.4	S165 W328 K330 I340	S165-L167 PolarHBondContact O-N 3Å; S165-L167 VanDerWaalsContact O-N 3.11Å; S165-L167 PolarHBondContact OG-N 3.38Å; S165-L167 VanDerWaalsContact OG-N 3.16Å; L167-W328 VanDerWaalsContact O-CZ3 3.25Å; L167-W328 WeakPolarHBondContact O-CZ3 3.48Å; L167-K330 HydrophobicContact CD2-CB 3.71Å; L167-K330 HydrophobicContact CD2-CD 3.75Å; L167-K330 HydrophobicContact CD2-CG 4.36Å; L167-I340 HydrophobicContact CB-CD1 3.56Å; L167-I340 HydrophobicContact CB-CG1 3.92Å; L167-I340 HydrophobicContact CD1-CG1 4.09Å; L167-I340 HydrophobicContact CD1-CG2 3.97Å
168	S	97.6	Very high	98	Very high	20 Å²	20	16.2 Å²	16.2	14%	0.14	10%	0.104	C	C	.	.			trans	-68.2	153.4	-180	69.9	0	0	0	0	111.9	M160 P162 S165	M160-S168 WeakPolarHBondContact O-CA 3.28Å; M160-S168 VanDerWaalsContact O-CB 3.31Å; M160-S168 WeakPolarHBondContact O-CB 3.32Å; P162-S168 WeakPolarHBondContact O-CB 3.5Å; S165-S168 WeakPolarHBondContact O-CB 3.44Å; S165-S168 PolarHBondContact O-N 2.77Å; S165-S168 PolarHBondContact O-OG 3.37Å
169	K	98.6	Very high	98	Very high	47 Å²	47	16.3 Å²	16.3	20%	0.204	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	140.7	172.1	-55.6	-79.9	-176.1	165	0	108.8	M160 F260 E272 W328	M160-K169 PolarHBondContact N-O 3.49Å; M160-K169 PolarHBondContact O-N 3.3Å; K169-F260 HydrophobicContact CB-CE1 4.4Å; K169-F260 HydrophobicContact CB-CE2 4.21Å; K169-F260 HydrophobicContact CB-CZ 3.52Å; K169-F260 HydrophobicContact CG-CZ 4.48Å; K169-E272 IonicContact NZ-OE1 2.71Å; K169-E272 PolarHBondContact NZ-OE1 3.01Å; K169-E272 IonicContact NZ-OE2 3.04Å; K169-E272 PolarHBondContact NZ-OE2 3.26Å; K169-W328 HydrophobicContact CB-CH2 3.82Å; K169-W328 HydrophobicContact CB-CZ3 3.98Å; K169-W328 HydrophobicContact CG-CH2 3.82Å; K169-W328 HydrophobicContact CG-CZ3 3.72Å
170	I	98.8	Very high	98	Very high	18 Å²	18	16.3 Å²	16.3	9%	0.092	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	143.4	-177.4	-65.9	175.4	0	0	0	110.5	F158 V194 E197 L198 F203 V204	F158-I170 WeakPolarHBondContact O-CA 3.27Å; I170-V194 HydrophobicContact CB-CG1 4.44Å; I170-V194 HydrophobicContact CD1-CG1 4.04Å; I170-V194 HydrophobicContact CG1-CG1 4.04Å; I170-V194 HydrophobicContact CG2-CG1 3.63Å; I170-E197 HydrophobicContact CD1-CB 4.13Å; I170-E197 HydrophobicContact CD1-CG 3.92Å; I170-L198 HydrophobicContact CB-CD1 4.2Å; I170-L198 HydrophobicContact CD1-CB 3.84Å; I170-L198 HydrophobicContact CD1-CD1 4.31Å; I170-L198 HydrophobicContact CG2-CB 4.19Å; I170-L198 HydrophobicContact CG2-CD1 3.93Å; I170-L198 HydrophobicContact CG2-CD2 4.03Å; I170-L198 HydrophobicContact CG2-CG 4.27Å; I170-F203 HydrophobicContact CG2-CB 4.24Å; I170-F203 CarbonylContact O-C 3.42Å; I170-F203 VanDerWaalsContact O-CA 3.26Å; I170-F203 WeakPolarHBondContact O-CA 3.31Å; I170-V204 PolarHBondContact O-N 3.28Å
171	G	98.8	Very high	98.1	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	159.9	169.3	0	0	0	0	0	111.6	F158 V204	F158-G171 WeakPolarHBondContact CD1-O 3.39Å; F158-G171 VanDerWaalsContact CE1-C 3.49Å; F158-G171 PolarHBondContact N-O 3.33Å; F158-G171 PolarHBondContact O-N 3.38Å; G171-V204 VanDerWaalsContact CA-O 3.27Å; G171-V204 WeakPolarHBondContact CA-O 3.27Å
172	V	98.9	Very high	98.1	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	117.1	168.5	179.6	0	0	0	0	107.4	V40 F43 V155 L174 L198 F203 V204 C206	V40-V172 HydrophobicContact CG1-CG1 4.36Å; V40-V172 HydrophobicContact CG1-CG2 4.28Å; V40-V172 HydrophobicContact CG2-CG2 4.28Å; F43-V172 HydrophobicContact CD1-CB 4.47Å; F43-V172 HydrophobicContact CD1-CG1 4.29Å; F43-V172 HydrophobicContact CE1-CB 4.35Å; F43-V172 HydrophobicContact CE1-CG1 4.23Å; V155-V172 HydrophobicContact CG1-CG1 3.72Å; V172-L174 HydrophobicContact CG1-CD2 4.36Å; V172-L198 HydrophobicContact CG2-CD2 4.32Å; V172-F203 HydrophobicContact CB-CD2 3.81Å; V172-F203 HydrophobicContact CB-CE2 3.93Å; V172-F203 HydrophobicContact CG2-CD2 3.62Å; V172-F203 HydrophobicContact CG2-CE2 3.95Å; V172-F203 HydrophobicContact CG2-CG 4.14Å; V172-V204 PolarHBondContact N-O 2.76Å; V172-C206 WeakPolarHBondContact O-CB 3.35Å; V172-C206 PolarHBondContact O-N 3.03Å
173	E	98.9	Very high	98.1	Very high	0 Å²	0	16 Å²	16	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	126	176.9	-177.8	172.7	167.4	0	0	111.8	V156 F158 V180 M184 C206 L255	V156-E173 HydrophobicContact CB-CB 4.22Å; V156-E173 WeakPolarHBondContact CB-O 3.47Å; V156-E173 PolarHBondContact N-O 2.67Å; V156-E173 PolarHBondContact O-N 2.86Å; F158-E173 HydrophobicContact CD1-CB 4.3Å; F158-E173 HydrophobicContact CE1-CB 3.87Å; E173-V180 WeakPolarHBondContact OE1-CG1 3.44Å; E173-M184 WeakPolarHBondContact OE2-CE 3.45Å; E173-C206 CarbonylContact C-O 3.51Å; E173-C206 VanDerWaalsContact CA-O 3.3Å; E173-C206 WeakPolarHBondContact CA-O 3.45Å; E173-C206 HydrophobicContact CB-CB 3.79Å; E173-C206 HydrophobicContact CG-CB 4.03Å; E173-L255 HydrophobicContact CG-CD1 4.27Å; E173-L255 WeakPolarHBondContact OE2-CB 3.42Å; E173-L255 PolarHBondContact OE2-N 3.48Å
174	L	98.9	Very high	98.2	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	122.8	169.8	-52.5	-177.1	0	0	0	108.2	F43 V44 N47 M153 Y154 V155 V172 C206 L207 H208	F43-L174 HydrophobicContact CD1-CD1 4.06Å; F43-L174 HydrophobicContact CD1-CG 4.26Å; F43-L174 HydrophobicContact CE1-CD1 3.66Å; F43-L174 HydrophobicContact CE1-CD2 4.17Å; F43-L174 HydrophobicContact CE1-CG 3.57Å; F43-L174 HydrophobicContact CE2-CD1 4.26Å; F43-L174 HydrophobicContact CZ-CD1 3.75Å; F43-L174 HydrophobicContact CZ-CG 3.9Å; V44-L174 HydrophobicContact CG2-CD2 3.92Å; N47-L174 HydrophobicContact CB-CD1 3.46Å; N47-L174 VanDerWaalsContact CB-CD1 3.46Å; M153-L174 HydrophobicContact CG-CB 4.32Å; M153-L174 HydrophobicContact SD-CB 4.27Å; M153-L174 HydrophobicContact SD-CD1 4.12Å; M153-L174 HydrophobicContact SD-CD2 4.48Å; Y154-L174 VanDerWaalsContact O-CA 3.31Å; Y154-L174 WeakPolarHBondContact O-CA 3.47Å; V155-L174 HydrophobicContact CB-CD2 4.12Å; V155-L174 HydrophobicContact CG1-CD2 3.87Å; V155-L174 HydrophobicContact CG2-CD2 3.86Å; V172-L174 HydrophobicContact CG1-CD2 4.36Å; L174-C206 PolarHBondContact N-O 3.27Å; L174-L207 HydrophobicContact CB-CD1 3.91Å; L174-L207 HydrophobicContact CD1-CD1 4.3Å; L174-H208 WeakPolarHBondContact O-CA 3.11Å; L174-H208 PolarHBondContact O-N 3.42Å; L174-H208 VanDerWaalsContact O-O 3.12Å
175	T	98.9	Very high	98.3	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	149.7	-179.4	-177.6	0	0	0	0	112.4	M153 Y154 V156 S177 V180 V181 H208	M153-T175 CarbonylContact C-O 3.58Å; Y154-T175 WeakPolarHBondContact CD2-O 3.48Å; Y154-T175 PolarHBondContact N-O 2.96Å; Y154-T175 PolarHBondContact O-N 2.86Å; V156-T175 HydrophobicContact CG2-CG2 4.2Å; T175-S177 PolarHBondContact OG1-N 3.04Å; T175-S177 VanDerWaalsContact OG1-N 3.1Å; T175-V180 HydrophobicContact CG2-CB 4.21Å; T175-V180 HydrophobicContact CG2-CG1 3.99Å; T175-V181 HydrophobicContact CG2-CG2 3.98Å; T175-H208 WeakPolarHBondContact CA-O 3.5Å; T175-H208 PolarHBondContact OG1-ND1 3.07Å
176	D	98.9	Very high	98.5	Very high	4 Å²	4	15.2 Å²	15.2	2%	0.021	8%	0.083	C	C	.	.	S	Bend	trans	-96.5	11.8	169.4	58.8	6.4	0	0	0	113.9	M148 R151 T152 S209 V210	M148-D176 HydrophobicContact CB-CB 4.43Å; M148-D176 HydrophobicContact CE-CB 4.08Å; M148-D176 HydrophobicContact CG-CB 3.77Å; M148-D176 HydrophobicContact SD-CB 3.92Å; R151-D176 HydrophobicContact CB-CB 4.19Å; T152-D176 WeakPolarHBondContact O-CA 3.4Å; D176-S209 WeakPolarHBondContact OD1-CA 3.46Å; D176-S209 WeakPolarHBondContact OD2-CB 3.35Å; D176-S209 PolarHBondContact OD2-OG 3.35Å; D176-V210 PolarHBondContact OD1-N 3.22Å; D176-V210 PolarHBondContact OD2-N 3.38Å
177	S	98.8	Very high	98.6	Very high	5 Å²	5	10 Å²	10	4%	0.035	5%	0.049	C	C	.	.			trans	-114.4	112.4	-175.4	-179.3	0	0	0	0	112.6	T175 Y179 V180 V181	T175-S177 PolarHBondContact OG1-N 3.04Å; T175-S177 VanDerWaalsContact OG1-N 3.1Å; S177-Y179 PolarHBondContact O-N 3.08Å; S177-V180 WeakPolarHBondContact O-CB 3.41Å; S177-V180 PolarHBondContact O-N 2.9Å; S177-V180 VanDerWaalsContact O-N 3.12Å; S177-V180 PolarHBondContact OG-N 3.44Å; S177-V181 PolarHBondContact O-N 3.12Å
178	P	98.7	Very high	98.8	Very high	9 Å²	9	9 Å²	9	6%	0.058	4%	0.044	C	C	.	.	H	α-helix	trans	-64.1	-26.8	173.7	18.2	-23.9	0	0	0	113	I69 L73 Y154 V180 V181 A182	I69-P178 HydrophobicContact CD1-CB 4.31Å; I69-P178 HydrophobicContact CG2-CB 3.94Å; I69-P178 WeakPolarHBondContact CG2-O 3.41Å; L73-P178 HydrophobicContact CD1-CB 4.37Å; L73-P178 HydrophobicContact CD2-CB 3.99Å; L73-P178 HydrophobicContact CD2-CG 3.7Å; L73-P178 HydrophobicContact CG-CB 4.03Å; L73-P178 HydrophobicContact CG-CG 4.21Å; Y154-P178 HydrophobicContact CE2-CB 4.24Å; P178-V180 VanDerWaalsContact C-N 3.31Å; P178-V180 PolarHBondContact O-N 2.78Å; P178-V181 PolarHBondContact O-N 3.1Å; P178-A182 PolarHBondContact O-N 2.87Å
179	Y	98.8	Very high	98.8	Very high	2 Å²	2	9.1 Å²	9.1	1%	0.008	4%	0.041	C	C	.	.	H	α-helix	trans	-62.7	-39.4	173.3	172.5	-86	0	0	0	111.7	A91 S177 S183 W224 I370 T372	A91-Y179 HydrophobicContact CB-CD2 4.21Å; A91-Y179 HydrophobicContact CB-CE2 3.75Å; S177-Y179 PolarHBondContact O-N 3.08Å; Y179-S183 WeakPolarHBondContact O-CB 3.44Å; Y179-S183 PolarHBondContact O-N 3.33Å; Y179-S183 PolarHBondContact O-OG 2.91Å; Y179-W224 AromaticContact CD1-CH2 3.61Å; Y179-W224 HydrophobicContact CD1-CH2 3.61Å; Y179-W224 HydrophobicContact CD1-CZ3 4.22Å; Y179-W224 HydrophobicContact CD2-CH2 4.08Å; Y179-W224 AromaticContact CD2-CZ3 3.92Å; Y179-W224 HydrophobicContact CD2-CZ3 3.92Å; Y179-W224 AromaticContact CE1-CH2 3.7Å; Y179-W224 HydrophobicContact CE1-CH2 3.7Å; Y179-W224 HydrophobicContact CE1-CZ3 4.49Å; Y179-W224 HydrophobicContact CE2-CH2 4.12Å; Y179-W224 HydrophobicContact CE2-CZ3 4.18Å; Y179-W224 AromaticContact CG-CH2 3.83Å; Y179-W224 HydrophobicContact CG-CH2 3.83Å; Y179-W224 AromaticContact CG-CZ3 3.94Å; Y179-W224 HydrophobicContact CG-CZ3 3.94Å; Y179-W224 AromaticContact CZ-CH2 3.95Å; Y179-I370 HydrophobicContact CE2-CG2 3.88Å; Y179-T372 PolarHBondContact OH-OG1 2.77Å
180	V	98.9	Very high	98.8	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-65.8	-42.4	176	171.6	0	0	0	0	110.4	E173 T175 S177 P178 S183 M184 S253 L254	E173-V180 WeakPolarHBondContact OE1-CG1 3.44Å; T175-V180 HydrophobicContact CG2-CB 4.21Å; T175-V180 HydrophobicContact CG2-CG1 3.99Å; S177-V180 WeakPolarHBondContact O-CB 3.41Å; S177-V180 PolarHBondContact O-N 2.9Å; S177-V180 VanDerWaalsContact O-N 3.12Å; S177-V180 PolarHBondContact OG-N 3.44Å; P178-V180 VanDerWaalsContact C-N 3.31Å; P178-V180 PolarHBondContact O-N 2.78Å; V180-S183 PolarHBondContact O-N 3.28Å; V180-M184 HydrophobicContact CG1-CG 4Å; V180-M184 VanDerWaalsContact O-CB 3.28Å; V180-M184 WeakPolarHBondContact O-CB 3.49Å; V180-M184 WeakPolarHBondContact O-CG 3.29Å; V180-M184 PolarHBondContact O-N 3.18Å; V180-S253 WeakPolarHBondContact CG1-O 3.32Å; V180-L254 HydrophobicContact CG1-CD2 4.24Å
181	V	98.9	Very high	98.7	Very high	3 Å²	3	7.1 Å²	7.1	2%	0.018	3%	0.033	C	C	.	.	H	α-helix	trans	-57.7	-51.9	175.9	179.3	0	0	0	0	111.2	I69 Y154 V156 T175 S177 P178 S183 M184 R185 M190	I69-V181 HydrophobicContact CG1-CG1 4.46Å; Y154-V181 HydrophobicContact CD1-CG2 3.86Å; Y154-V181 HydrophobicContact CD2-CG2 3.89Å; Y154-V181 HydrophobicContact CG-CG2 3.48Å; Y154-V181 VanDerWaalsContact CG-CG2 3.48Å; V156-V181 HydrophobicContact CG2-CG2 4Å; T175-V181 HydrophobicContact CG2-CG2 3.98Å; S177-V181 PolarHBondContact O-N 3.12Å; P178-V181 PolarHBondContact O-N 3.1Å; V181-S183 VanDerWaalsContact C-N 3.31Å; V181-S183 PolarHBondContact O-N 3.44Å; V181-M184 PolarHBondContact O-N 3.29Å; V181-R185 PolarHBondContact O-N 2.89Å; V181-M190 HydrophobicContact CG1-CE 4.01Å
182	A	98.8	Very high	98.6	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.008	6%	0.062	C	C	.	.	H	α-helix	trans	-61.1	-39.8	179.8	0	0	0	0	0	112.1	I69 L70 L73 P178 R185 V186 I370	I69-A182 HydrophobicContact CG2-CB 4.11Å; L70-A182 HydrophobicContact CD2-CB 4.3Å; L73-A182 HydrophobicContact CD1-CB 4.47Å; P178-A182 PolarHBondContact O-N 2.87Å; A182-R185 WeakPolarHBondContact O-CB 3.13Å; A182-V186 PolarHBondContact O-N 2.9Å; A182-I370 HydrophobicContact CB-CD1 3.91Å
183	S	98.9	Very high	98.5	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-73.2	-41	178.9	-61.9	0	0	0	0	112.7	Y179 V180 V181 R185 V186 M187 L254	Y179-S183 WeakPolarHBondContact O-CB 3.44Å; Y179-S183 PolarHBondContact O-N 3.33Å; Y179-S183 PolarHBondContact O-OG 2.91Å; V180-S183 PolarHBondContact O-N 3.28Å; V181-S183 VanDerWaalsContact C-N 3.31Å; V181-S183 PolarHBondContact O-N 3.44Å; S183-R185 VanDerWaalsContact C-N 3.27Å; S183-R185 PolarHBondContact O-N 3.38Å; S183-V186 WeakPolarHBondContact O-CB 3.37Å; S183-V186 PolarHBondContact O-N 3.08Å; S183-V186 VanDerWaalsContact O-N 3.12Å; S183-M187 WeakPolarHBondContact O-CB 3.33Å; S183-M187 WeakPolarHBondContact O-CG 3.5Å; S183-M187 PolarHBondContact O-N 3.1Å; S183-L254 VanDerWaalsContact CB-CD2 3.42Å
184	M	98.9	Very high	98.5	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-64.2	-33.9	176.1	-78.4	-65.5	-73.8	0	0	111.3	V156 F158 E173 V180 V181 V186 M187 T188 L254	V156-M184 HydrophobicContact CG1-CB 4.17Å; F158-M184 HydrophobicContact CB-CE 4.36Å; F158-M184 HydrophobicContact CD1-CE 3.68Å; F158-M184 HydrophobicContact CD2-CE 4Å; F158-M184 HydrophobicContact CE1-CE 3.91Å; F158-M184 HydrophobicContact CE2-CE 4.18Å; F158-M184 HydrophobicContact CG-CE 3.74Å; F158-M184 HydrophobicContact CZ-CE 4.14Å; E173-M184 WeakPolarHBondContact OE2-CE 3.45Å; V180-M184 HydrophobicContact CG1-CG 4Å; V180-M184 VanDerWaalsContact O-CB 3.28Å; V180-M184 WeakPolarHBondContact O-CB 3.49Å; V180-M184 WeakPolarHBondContact O-CG 3.29Å; V180-M184 PolarHBondContact O-N 3.18Å; V181-M184 PolarHBondContact O-N 3.29Å; M184-V186 VanDerWaalsContact C-N 3.26Å; M184-V186 PolarHBondContact O-N 3.1Å; M184-M187 PolarHBondContact O-N 3.37Å; M184-T188 HydrophobicContact CE-CG2 3.59Å; M184-T188 WeakPolarHBondContact O-CB 3.31Å; M184-T188 PolarHBondContact O-N 2.86Å; M184-T188 PolarHBondContact O-OG1 3.05Å; M184-T188 HydrophobicContact SD-CG2 4.02Å; M184-L254 HydrophobicContact CG-CD2 3.95Å; M184-L254 HydrophobicContact SD-CB 3.9Å; M184-L254 HydrophobicContact SD-CD2 4.22Å
185	R	98.6	Very high	98.4	Very high	63 Å²	63	20.4 Å²	20.4	24%	0.238	10%	0.101	C	C	.	.	H	α-helix	trans	-58.4	-38.4	171.8	-168.9	-178.3	-178.6	-90.5	-4.9	112.8	G61 D63 N66 V181 A182 S183 T188 M190	G61-R185 PolarHBondContact O-NE 2.67Å; G61-R185 PolarHBondContact O-NH2 3.33Å; D63-R185 IonicContact OD1-CZ 3.4Å; D63-R185 IonicContact OD1-NH1 3.61Å; D63-R185 IonicContact OD1-NH2 2.66Å; D63-R185 PolarHBondContact OD1-NH2 3.16Å; N66-R185 WeakPolarHBondContact OD1-CD 3.23Å; V181-R185 PolarHBondContact O-N 2.89Å; A182-R185 WeakPolarHBondContact O-CB 3.13Å; S183-R185 VanDerWaalsContact C-N 3.27Å; S183-R185 PolarHBondContact O-N 3.38Å; R185-T188 VanDerWaalsContact O-O 3.11Å; R185-M190 HydrophobicContact CB-CE 3.7Å; R185-M190 HydrophobicContact CG-CE 3.99Å
186	V	98.8	Very high	98.3	Very high	13 Å²	13	25.9 Å²	25.9	8%	0.079	13%	0.13	C	C	.	.	H	α-helix	trans	-75.3	-45.9	176.6	174.8	0	0	0	0	110.8	A182 S183 M184 N344 G345 T422 P423	A182-V186 PolarHBondContact O-N 2.9Å; S183-V186 WeakPolarHBondContact O-CB 3.37Å; S183-V186 PolarHBondContact O-N 3.08Å; S183-V186 VanDerWaalsContact O-N 3.12Å; M184-V186 VanDerWaalsContact C-N 3.26Å; M184-V186 PolarHBondContact O-N 3.1Å; V186-N344 CarbonylContact O-C 3.41Å; V186-N344 VanDerWaalsContact O-C 3.22Å; V186-G345 PolarHBondContact O-N 2.97Å; V186-T422 WeakPolarHBondContact CG1-O 3.3Å; V186-P423 HydrophobicContact CG1-CG 4.18Å
187	M	98.8	Very high	98.3	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.01	15%	0.152	C	C	.	.	H	α-helix	trans	-84.4	-15.7	-169	-65.9	-53.9	-53.8	0	0	114.7	S183 M184 L254 K257 E343 N344 G345 F347	S183-M187 WeakPolarHBondContact O-CB 3.33Å; S183-M187 WeakPolarHBondContact O-CG 3.5Å; S183-M187 PolarHBondContact O-N 3.1Å; M184-M187 PolarHBondContact O-N 3.37Å; M187-L254 HydrophobicContact CG-CD1 4.15Å; M187-K257 HydrophobicContact CE-CD 4.41Å; M187-E343 HydrophobicContact CE-CB 4.46Å; M187-E343 WeakPolarHBondContact CE-OE1 3.17Å; M187-N344 PolarHBondContact O-N 3.22Å; M187-G345 WeakPolarHBondContact CE-O 3.42Å; M187-F347 HydrophobicContact CE-CB 3.77Å; M187-F347 HydrophobicContact SD-CB 3.89Å
188	T	98.9	Very high	98.2	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.012	15%	0.153	C	C	.	.	S	Bend	trans	-133.9	165.9	-179.9	70.4	0	0	0	0	110.5	F158 M160 M184 R185 N344	F158-T188 HydrophobicContact CB-CG2 4.42Å; F158-T188 WeakPolarHBondContact CB-OG1 3.22Å; F158-T188 HydrophobicContact CD2-CG2 3.94Å; F158-T188 HydrophobicContact CG-CG2 4.39Å; M160-T188 HydrophobicContact SD-CG2 3.65Å; M184-T188 HydrophobicContact CE-CG2 3.59Å; M184-T188 WeakPolarHBondContact O-CB 3.31Å; M184-T188 PolarHBondContact O-N 2.86Å; M184-T188 PolarHBondContact O-OG1 3.05Å; M184-T188 HydrophobicContact SD-CG2 4.02Å; R185-T188 VanDerWaalsContact O-O 3.11Å; T188-N344 VanDerWaalsContact C-CB 3.41Å; T188-N344 PolarHBondContact O-ND2 3.05Å; T188-N344 VanDerWaalsContact O-ND2 3.1Å
189	R	98.8	Very high	98.1	Very high	22 Å²	22	32 Å²	32	8%	0.083	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	117.7	164.7	-70.3	86.9	-178.8	168.7	2.9	106.4	F158 S159 V163 V194 P342 E343 N344 E435	F158-R189 CarbonylContact C-O 3.46Å; F158-R189 VanDerWaalsContact CA-O 3.22Å; F158-R189 WeakPolarHBondContact CA-O 3.32Å; S159-R189 PolarHBondContact N-O 2.75Å; S159-R189 PolarHBondContact O-N 2.76Å; V163-R189 HydrophobicContact CG2-CB 3.94Å; V163-R189 HydrophobicContact CG2-CG 4.33Å; R189-V194 WeakPolarHBondContact O-CG2 3.12Å; R189-P342 PolarHBondContact NH1-O 2.79Å; R189-E343 VanDerWaalsContact NH1-C 3.26Å; R189-E343 PolarHBondContact NH1-O 2.82Å; R189-N344 PolarHBondContact NE-OD1 2.83Å; R189-E435 IonicContact CZ-OE1 3.62Å; R189-E435 VanDerWaalsContact CZ-OE1 3.29Å; R189-E435 IonicContact NE-OE1 2.7Å; R189-E435 PolarHBondContact NE-OE1 2.97Å; R189-E435 IonicContact NH2-OE1 3.23Å; R189-E435 PolarHBondContact NH2-OE1 3.41Å
190	M	98.1	Very high	98	Very high	24 Å²	24	38.4 Å²	38.4	12%	0.118	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	144	-167	-174.3	-90.9	-90.1	0	0	111.4	C59 G61 V156 P157 V181 R185	C59-M190 HydrophobicContact CB-CE 4.19Å; C59-M190 HydrophobicContact CB-SD 3.69Å; G61-M190 VanDerWaalsContact CA-SD 3.6Å; V156-M190 HydrophobicContact CG1-CE 4.5Å; V156-M190 HydrophobicContact CG1-CG 3.46Å; V156-M190 VanDerWaalsContact CG1-CG 3.46Å; V156-M190 HydrophobicContact CG1-SD 4.23Å; P157-M190 WeakPolarHBondContact O-CA 3.17Å; V181-M190 HydrophobicContact CG1-CE 4.01Å; R185-M190 HydrophobicContact CB-CE 3.7Å; R185-M190 HydrophobicContact CG-CE 3.99Å
191	G	97.3	Very high	97.9	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.219	C	C	.	.	S	Bend	trans	113.8	-152.9	166.3	0	0	0	0	0	115.8	D60 P157 T193 V194 L195	D60-G191 VanDerWaalsContact C-CA 3.47Å; D60-G191 VanDerWaalsContact O-CA 3.3Å; D60-G191 WeakPolarHBondContact O-CA 3.11Å; P157-G191 PolarHBondContact O-N 2.71Å; G191-T193 VanDerWaalsContact C-N 3.34Å; G191-T193 PolarHBondContact O-N 3.41Å; G191-V194 WeakPolarHBondContact O-CB 3.14Å; G191-V194 PolarHBondContact O-N 2.8Å; G191-L195 PolarHBondContact O-N 3.27Å
192	K	96.8	Very high	97.7	Very high	140 Å²	140	46.9 Å²	46.9	61%	0.609	25%	0.25	S	C	*	.	H	α-helix	trans	-59.3	-38.7	-167.7	-173.2	175.5	-178.1	176.3	0	113.9	D60 V194 L195 N196	D60-K192 PolarHBondContact O-N 2.99Å; K192-V194 PolarHBondContact O-N 3.12Å; K192-L195 PolarHBondContact O-N 3.41Å; K192-N196 PolarHBondContact O-N 2.72Å
193	T	97	Very high	97.7	Very high	98 Å²	98	47 Å²	47	60%	0.601	25%	0.251	S	S	*	.	H	α-helix	trans	-60	-35.1	178.5	-50.8	0	0	0	0	111.7	V163 G191 N196 E197	V163-T193 HydrophobicContact CG1-CG2 4.32Å; G191-T193 VanDerWaalsContact C-N 3.34Å; G191-T193 PolarHBondContact O-N 3.41Å; T193-N196 PolarHBondContact O-N 3.36Å; T193-E197 PolarHBondContact O-N 3.28Å
194	V	98.4	Very high	97.7	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.012	25%	0.252	C	S	.	.	H	α-helix	trans	-71.1	-40.5	177.2	-179.5	0	0	0	0	111.4	P157 F158 V163 I170 R189 G191 K192 N196 E197 L198	P157-V194 HydrophobicContact CB-CB 4.43Å; P157-V194 HydrophobicContact CB-CG1 4.39Å; F158-V194 VanDerWaalsContact C-CG1 3.5Å; V163-V194 HydrophobicContact CG2-CG2 4.42Å; I170-V194 HydrophobicContact CB-CG1 4.44Å; I170-V194 HydrophobicContact CD1-CG1 4.04Å; I170-V194 HydrophobicContact CG1-CG1 4.04Å; I170-V194 HydrophobicContact CG2-CG1 3.63Å; R189-V194 WeakPolarHBondContact O-CG2 3.12Å; G191-V194 WeakPolarHBondContact O-CB 3.14Å; G191-V194 PolarHBondContact O-N 2.8Å; K192-V194 PolarHBondContact O-N 3.12Å; V194-N196 VanDerWaalsContact C-N 3.27Å; V194-N196 PolarHBondContact O-N 3.42Å; V194-E197 PolarHBondContact O-N 2.87Å; V194-L198 VanDerWaalsContact O-CB 3.27Å; V194-L198 WeakPolarHBondContact O-CB 3.45Å; V194-L198 PolarHBondContact O-N 2.9Å
195	L	97.4	Very high	97.7	Very high	39 Å²	39	50.7 Å²	50.7	20%	0.204	27%	0.265	C	S	.	.	H	α-helix	trans	-61	-39.8	175	-73.6	172.8	0	0	0	111.7	L36 I58 P157 G191 K192 L198 G199	L36-L195 HydrophobicContact CD2-CD1 4.04Å; L36-L195 HydrophobicContact CD2-CD2 4.08Å; I58-L195 HydrophobicContact CG2-CD1 4.37Å; P157-L195 HydrophobicContact CB-CD1 4.4Å; P157-L195 HydrophobicContact CB-CD2 3.65Å; P157-L195 HydrophobicContact CB-CG 3.63Å; P157-L195 HydrophobicContact CG-CD1 3.92Å; P157-L195 HydrophobicContact CG-CD2 4.09Å; P157-L195 HydrophobicContact CG-CG 3.66Å; G191-L195 PolarHBondContact O-N 3.27Å; K192-L195 PolarHBondContact O-N 3.41Å; L195-L198 PolarHBondContact O-N 2.95Å; L195-G199 PolarHBondContact O-N 3.11Å; L195-G199 VanDerWaalsContact O-N 3.1Å
196	N	96.8	Very high	97.7	Very high	114 Å²	114	47.7 Å²	47.7	61%	0.61	25%	0.254	S	S	*	.	H	α-helix	trans	-64.3	-45.8	176.6	-66.8	-14.9	0	0	0	111.6	K192 T193 V194 L198	K192-N196 PolarHBondContact O-N 2.72Å; T193-N196 PolarHBondContact O-N 3.36Å; V194-N196 VanDerWaalsContact C-N 3.27Å; V194-N196 PolarHBondContact O-N 3.42Å; N196-L198 VanDerWaalsContact C-N 3.34Å
197	E	97.9	Very high	97.7	Very high	104 Å²	104	47.1 Å²	47.1	49%	0.486	25%	0.25	S	C	.	.	H	α-helix	trans	-63.9	-39.5	176.4	-177.9	61.7	-161.1	0	0	111.8	V163 I170 T193 V194	V163-E197 HydrophobicContact CG1-CB 3.79Å; V163-E197 HydrophobicContact CG1-CG 3.84Å; I170-E197 HydrophobicContact CD1-CB 4.13Å; I170-E197 HydrophobicContact CD1-CG 3.92Å; T193-E197 PolarHBondContact O-N 3.28Å; V194-E197 PolarHBondContact O-N 2.87Å
198	L	97.8	Very high	97.8	Very high	10 Å²	10	47 Å²	47	5%	0.052	25%	0.249	C	C	.	.	H	α-helix	trans	-62	-48.6	179.6	179.3	57.7	0	0	0	111.7	V40 I170 V172 V194 L195 N196 N200 G201 F203	V40-L198 HydrophobicContact CG2-CD2 3.64Å; I170-L198 HydrophobicContact CB-CD1 4.2Å; I170-L198 HydrophobicContact CD1-CB 3.84Å; I170-L198 HydrophobicContact CD1-CD1 4.31Å; I170-L198 HydrophobicContact CG2-CB 4.19Å; I170-L198 HydrophobicContact CG2-CD1 3.93Å; I170-L198 HydrophobicContact CG2-CD2 4.03Å; I170-L198 HydrophobicContact CG2-CG 4.27Å; V172-L198 HydrophobicContact CG2-CD2 4.32Å; V194-L198 VanDerWaalsContact O-CB 3.27Å; V194-L198 WeakPolarHBondContact O-CB 3.45Å; V194-L198 PolarHBondContact O-N 2.9Å; L195-L198 PolarHBondContact O-N 2.95Å; N196-L198 VanDerWaalsContact C-N 3.34Å; L198-N200 PolarHBondContact O-N 3.31Å; L198-N200 VanDerWaalsContact O-N 3.11Å; L198-G201 WeakPolarHBondContact CD1-O 3.43Å; L198-G201 WeakPolarHBondContact O-CA 3.3Å; L198-G201 PolarHBondContact O-N 3.41Å; L198-F203 HydrophobicContact CD1-CB 3.92Å; L198-F203 HydrophobicContact CD1-CD1 4.32Å; L198-F203 HydrophobicContact CD2-CB 4.21Å; L198-F203 HydrophobicContact CD2-CD1 4.11Å; L198-F203 HydrophobicContact CD2-CG 4.27Å
199	G	96.3	Very high	97.8	Very high	34 Å²	34	46.9 Å²	46.9	35%	0.351	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.5	-119	-172.5	0	0	0	0	0	111.8	S37 L195	S37-G199 WeakPolarHBondContact CB-O 3.46Å; S37-G199 PolarHBondContact OG-O 2.87Å; L195-G199 PolarHBondContact O-N 3.11Å; L195-G199 VanDerWaalsContact O-N 3.1Å
200	N	96.3	Very high	97.8	Very high	135 Å²	135	46 Å²	46	72%	0.722	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.2	13.5	175.3	-64.3	-43.5	0	0	0	113.5	S37 L198	S37-N200 WeakPolarHBondContact CB-OD1 3.14Å; L198-N200 PolarHBondContact O-N 3.31Å; L198-N200 VanDerWaalsContact O-N 3.11Å
201	G	96.3	Very high	97.8	Very high	37 Å²	37	45.1 Å²	45.1	38%	0.381	24%	0.242	S	C	.	.	S	Bend	trans	-69.1	172.4	-179.6	0	0	0	0	0	113.7	L198	L198-G201 WeakPolarHBondContact CD1-O 3.43Å; L198-G201 WeakPolarHBondContact O-CA 3.3Å; L198-G201 PolarHBondContact O-N 3.41Å
202	E	96	Very high	97.8	Very high	144 Å²	144	46 Å²	46	67%	0.673	25%	0.248	S	C	*	.			trans	-77.5	143	176.8	-59.8	-172.7	128.2	0	0	111.3	R240	E202-R240 VanDerWaalsContact CD-NH1 3.32Å; E202-R240 IonicContact OE1-NH1 2.67Å; E202-R240 IonicContact OE1-NH2 3.79Å; E202-R240 IonicContact OE2-CZ 2.65Å; E202-R240 IonicContact OE2-NH1 3.62Å; E202-R240 PolarHBondContact OE2-NH1 3.28Å; E202-R240 IonicContact OE2-NH2 2.77Å; E202-R240 PolarHBondContact OE2-NH2 3.37Å
203	F	98.6	Very high	97.9	Very high	5 Å²	5	40.4 Å²	40.4	2%	0.022	23%	0.227	C	C	.	.			trans	-138.1	156.7	175.6	63.4	-81.9	0	0	0	111.2	A39 V40 F43 I170 V172 L198 R205	A39-F203 HydrophobicContact CB-CE1 3.95Å; V40-F203 HydrophobicContact CB-CZ 4.43Å; V40-F203 HydrophobicContact CG2-CD1 4.09Å; V40-F203 HydrophobicContact CG2-CE1 3.64Å; V40-F203 HydrophobicContact CG2-CZ 3.89Å; F43-F203 HydrophobicContact CB-CE2 4.44Å; F43-F203 HydrophobicContact CB-CZ 4.16Å; F43-F203 AromaticContact CD1-CE2 3.88Å; F43-F203 HydrophobicContact CD1-CE2 3.88Å; F43-F203 HydrophobicContact CD1-CZ 4.41Å; F43-F203 HydrophobicContact CE1-CE2 4.47Å; F43-F203 HydrophobicContact CG-CE2 4.28Å; F43-F203 HydrophobicContact CG-CZ 4.49Å; I170-F203 HydrophobicContact CG2-CB 4.24Å; I170-F203 CarbonylContact O-C 3.42Å; I170-F203 VanDerWaalsContact O-CA 3.26Å; I170-F203 WeakPolarHBondContact O-CA 3.31Å; V172-F203 HydrophobicContact CB-CD2 3.81Å; V172-F203 HydrophobicContact CB-CE2 3.93Å; V172-F203 HydrophobicContact CG2-CD2 3.62Å; V172-F203 HydrophobicContact CG2-CE2 3.95Å; V172-F203 HydrophobicContact CG2-CG 4.14Å; L198-F203 HydrophobicContact CD1-CB 3.92Å; L198-F203 HydrophobicContact CD1-CD1 4.32Å; L198-F203 HydrophobicContact CD2-CB 4.21Å; L198-F203 HydrophobicContact CD2-CD1 4.11Å; L198-F203 HydrophobicContact CD2-CG 4.27Å; F203-R205 HydrophobicContact CD2-CG 4.1Å; F203-R205 HydrophobicContact CE2-CG 3.53Å; F203-R205 HydrophobicContact CZ-CG 4.13Å
204	V	98.7	Very high	98	Very high	4 Å²	4	39.1 Å²	39.1	2%	0.024	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	123	171.2	-179.8	0	0	0	0	109.7	I170 G171 V172 C206 R240 I242 F260 I264	I170-V204 PolarHBondContact O-N 3.28Å; G171-V204 VanDerWaalsContact CA-O 3.27Å; G171-V204 WeakPolarHBondContact CA-O 3.27Å; V172-V204 PolarHBondContact N-O 2.76Å; V204-C206 PolarHBondContact O-N 2.92Å; V204-R240 WeakPolarHBondContact CA-O 3.47Å; V204-R240 WeakPolarHBondContact CG1-O 3.27Å; V204-R240 HydrophobicContact CG2-CB 4.35Å; V204-I242 HydrophobicContact CG1-CD1 3.83Å; V204-I242 HydrophobicContact CG1-CG1 4.18Å; V204-F260 HydrophobicContact CB-CD1 4.05Å; V204-F260 HydrophobicContact CB-CD2 4.45Å; V204-F260 HydrophobicContact CB-CE1 3.76Å; V204-F260 HydrophobicContact CB-CE2 4.22Å; V204-F260 HydrophobicContact CB-CG 4.39Å; V204-F260 HydrophobicContact CB-CZ 3.85Å; V204-F260 HydrophobicContact CG1-CD1 4.3Å; V204-F260 HydrophobicContact CG1-CD2 4.41Å; V204-F260 HydrophobicContact CG1-CE1 4.49Å; V204-F260 HydrophobicContact CG1-CG 4.27Å; V204-F260 HydrophobicContact CG2-CD1 4.24Å; V204-F260 HydrophobicContact CG2-CD2 3.94Å; V204-F260 HydrophobicContact CG2-CE1 3.69Å; V204-F260 HydrophobicContact CG2-CE2 3.37Å; V204-F260 HydrophobicContact CG2-CG 4.36Å; V204-F260 HydrophobicContact CG2-CZ 3.21Å; V204-I264 HydrophobicContact CG1-CG2 4.44Å; V204-I264 HydrophobicContact CG2-CG2 4.25Å
205	R	98.8	Very high	97.9	Very high	73 Å²	73	44.7 Å²	44.7	28%	0.275	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	111.6	-178.8	-72.3	172.3	-172.7	80.7	-0	109.2	F43 F203 R240 Q241 I242	F43-R205 HydrophobicContact CD1-CG 4.34Å; F43-R205 HydrophobicContact CD2-CB 4.06Å; F43-R205 HydrophobicContact CD2-CG 3.82Å; F43-R205 HydrophobicContact CE1-CB 4.28Å; F43-R205 HydrophobicContact CE1-CG 4.42Å; F43-R205 HydrophobicContact CE2-CB 3.63Å; F43-R205 HydrophobicContact CE2-CG 3.94Å; F43-R205 HydrophobicContact CG-CG 4.04Å; F43-R205 HydrophobicContact CZ-CB 3.76Å; F43-R205 HydrophobicContact CZ-CG 4.25Å; F203-R205 HydrophobicContact CD2-CG 4.1Å; F203-R205 HydrophobicContact CE2-CG 3.53Å; F203-R205 HydrophobicContact CZ-CG 4.13Å; R205-R240 PolarHBondContact N-O 2.7Å; R205-Q241 HydrophobicContact CB-CG 3.72Å; R205-Q241 CarbonylContact O-C 3.59Å; R205-Q241 WeakPolarHBondContact O-CA 3.43Å; R205-I242 PolarHBondContact O-N 2.77Å
206	C	98.9	Very high	97.9	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	119.2	-177.8	-57	0	0	0	0	108.8	V172 E173 L174 V204 I242 L255	V172-C206 WeakPolarHBondContact O-CB 3.35Å; V172-C206 PolarHBondContact O-N 3.03Å; E173-C206 CarbonylContact C-O 3.51Å; E173-C206 VanDerWaalsContact CA-O 3.3Å; E173-C206 WeakPolarHBondContact CA-O 3.45Å; E173-C206 HydrophobicContact CB-CB 3.79Å; E173-C206 HydrophobicContact CG-CB 4.03Å; L174-C206 PolarHBondContact N-O 3.27Å; V204-C206 PolarHBondContact O-N 2.92Å; C206-I242 CarbonylContact C-O 3.35Å; C206-I242 WeakPolarHBondContact CA-O 3.35Å; C206-L255 HydrophobicContact CB-CB 3.94Å; C206-L255 HydrophobicContact CB-CD1 3.69Å; C206-L255 HydrophobicContact CB-CG 4.45Å
207	L	98.9	Very high	97.8	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	125.9	175.1	178.9	65.8	0	0	0	108.9	N47 M140 F144 M148 L174 I242 I243 S244	N47-L207 HydrophobicContact CB-CD1 4.17Å; N47-L207 VanDerWaalsContact OD1-CD2 3.24Å; N47-L207 WeakPolarHBondContact OD1-CD2 3.17Å; M140-L207 HydrophobicContact CE-CD2 4.49Å; F144-L207 HydrophobicContact CD1-CD2 3.53Å; F144-L207 HydrophobicContact CD1-CG 4.1Å; F144-L207 HydrophobicContact CE1-CD2 3.47Å; F144-L207 VanDerWaalsContact CE1-CD2 3.47Å; F144-L207 HydrophobicContact CE1-CG 3.64Å; F144-L207 HydrophobicContact CG-CD2 4.29Å; F144-L207 HydrophobicContact CZ-CD2 4.18Å; F144-L207 HydrophobicContact CZ-CG 4.42Å; M148-L207 HydrophobicContact CE-CD1 4.42Å; L174-L207 HydrophobicContact CB-CD1 3.91Å; L174-L207 HydrophobicContact CD1-CD1 4.3Å; L207-I242 PolarHBondContact N-O 2.98Å; L207-I243 HydrophobicContact CB-CD1 3.55Å; L207-I243 HydrophobicContact CB-CG2 4.49Å; L207-I243 HydrophobicContact CD2-CD1 4.02Å; L207-I243 HydrophobicContact CD2-CG2 4.27Å; L207-I243 HydrophobicContact CG-CD1 4.4Å; L207-I243 CarbonylContact O-C 3.59Å; L207-I243 WeakPolarHBondContact O-CA 3.27Å; L207-S244 PolarHBondContact O-N 3.15Å
208	H	98.9	Very high	97.5	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	137.7	179.9	170.9	-121.7	0	0	0	110.3	M148 L174 T175 S244 S247 L255	M148-H208 WeakPolarHBondContact CE-O 3.4Å; L174-H208 WeakPolarHBondContact O-CA 3.11Å; L174-H208 PolarHBondContact O-N 3.42Å; L174-H208 VanDerWaalsContact O-O 3.12Å; T175-H208 WeakPolarHBondContact CA-O 3.5Å; T175-H208 PolarHBondContact OG1-ND1 3.07Å; H208-S244 CarbonylContact C-O 3.53Å; H208-S244 VanDerWaalsContact CA-O 3.27Å; H208-S244 WeakPolarHBondContact CA-O 3.35Å; H208-S247 PolarHBondContact NE2-O 3.19Å; H208-L255 HydrophobicContact CB-CD1 3.87Å; H208-L255 HydrophobicContact CB-CG 4.43Å
209	S	98.9	Very high	97.3	Very high	0 Å²	0	56 Å²	56	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	140.7	164	172.6	0	0	0	0	110.6	D176 G211 S244 F245 G246	D176-S209 WeakPolarHBondContact OD1-CA 3.46Å; D176-S209 WeakPolarHBondContact OD2-CB 3.35Å; D176-S209 PolarHBondContact OD2-OG 3.35Å; S209-G211 PolarHBondContact O-N 3.12Å; S209-G211 PolarHBondContact OG-N 3.38Å; S209-S244 PolarHBondContact N-O 3.12Å; S209-F245 CarbonylContact O-C 3.59Å; S209-F245 WeakPolarHBondContact O-CA 3.23Å; S209-G246 PolarHBondContact O-N 2.58Å
210	V	98.8	Very high	97.3	Very high	3 Å²	3	57.2 Å²	57.2	2%	0.018	31%	0.306	C	S	.	.			trans	-66.4	-13.7	170.5	-61.5	0	0	0	0	112.9	D176 C212 P225 C226 N227 G246	D176-V210 PolarHBondContact OD1-N 3.22Å; D176-V210 PolarHBondContact OD2-N 3.38Å; V210-C212 HydrophobicContact CG2-CB 4.17Å; V210-C212 PolarHBondContact O-SG 3.1Å; V210-P225 HydrophobicContact CB-CB 3.98Å; V210-P225 WeakPolarHBondContact CB-O 3.24Å; V210-P225 HydrophobicContact CG1-CB 4.43Å; V210-P225 HydrophobicContact CG2-CB 3.62Å; V210-C226 CarbonylContact O-C 3.59Å; V210-N227 PolarHBondContact O-N 2.78Å; V210-G246 WeakPolarHBondContact O-CA 3.5Å
211	G	98.5	Very high	97.3	Very high	5 Å²	5	53.8 Å²	53.8	5%	0.052	29%	0.289	C	S	.	.	S	Bend	trans	75.1	27	173.7	0	0	0	0	0	114.5	S209 N227	S209-G211 PolarHBondContact O-N 3.12Å; S209-G211 PolarHBondContact OG-N 3.38Å; G211-N227 PolarHBondContact O-ND2 3.11Å
212	C	98.4	Very high	97.3	Very high	18 Å²	18	54.5 Å²	54.5	12%	0.122	29%	0.285	C	S	.	.			trans	-125.1	67.2	-176.3	-56	0	0	0	0	112	R151 V210 L216 P225 C226	R151-C212 VanDerWaalsContact CZ-O 3.24Å; R151-C212 PolarHBondContact NE-O 2.94Å; R151-C212 PolarHBondContact NH2-O 3.27Å; V210-C212 HydrophobicContact CG2-CB 4.17Å; V210-C212 PolarHBondContact O-SG 3.1Å; C212-L216 HydrophobicContact CB-CD2 4.24Å; C212-P225 HydrophobicContact CB-CB 4.11Å; C212-C226 PolarHBondContact SG-N 2.89Å; C212-C226 VanDerWaalsContact SG-N 3.36Å; C212-C226 PolarHBondContact SG-O 2.89Å
213	P	98.4	Very high	97.4	Very high	24 Å²	24	51.4 Å²	51.4	16%	0.156	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-60	152.5	178.2	25.6	-34.3	0	0	0	111.9	G146 C147 K149 P215	G146-P213 WeakPolarHBondContact O-CB 3.49Å; C147-P213 WeakPolarHBondContact O-CA 3.42Å; C147-P213 WeakPolarHBondContact O-CB 3.29Å; K149-P213 HydrophobicContact CB-CB 4.03Å; P213-P215 CarbonylContact O-C 3.52Å
214	L	97.9	Very high	97.4	Very high	70 Å²	70	51.4 Å²	51.4	37%	0.366	27%	0.273	S	S	.	.	S	Bend	trans	-92.5	149	174	-59.5	-174.6	0	0	0	111.8	K149 G150 L216	K149-L214 WeakPolarHBondContact O-CB 3.43Å; K149-L214 PolarHBondContact O-N 3.21Å; G150-L214 WeakPolarHBondContact O-CD1 3.22Å; L214-L216 HydrophobicContact CD2-CD2 3.65Å; L214-L216 HydrophobicContact CD2-CG 3.64Å
215	P	98.1	Very high	97.3	Very high	119 Å²	119	51.6 Å²	51.6	77%	0.773	27%	0.274	S	S	*	.	S	Bend	cis	-62.8	147.4	-10.3	28.9	-35.7	0	0	0	111.7	P213 K217	P213-P215 CarbonylContact O-C 3.52Å; P215-K217 PolarHBondContact O-N 3.06Å
216	L	97.4	Very high	97.3	Very high	73 Å²	73	48.9 Å²	48.9	38%	0.382	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-60.2	133.5	-173.9	-68.5	173.8	0	0	0	111.7	C212 L214 L220	C212-L216 HydrophobicContact CB-CD2 4.24Å; L214-L216 HydrophobicContact CD2-CD2 3.65Å; L214-L216 HydrophobicContact CD2-CG 3.64Å; L216-L220 HydrophobicContact CD1-CD1 4.07Å; L216-L220 HydrophobicContact CD1-CD2 4.36Å; L216-L220 HydrophobicContact CD1-CG 3.77Å; L216-L220 HydrophobicContact CD2-CD2 4.31Å
217	K	93.9	Very high	97.3	Very high	190 Å²	190	50.1 Å²	50.1	83%	0.826	27%	0.273	S	S	*	.	S	Bend	trans	-85	-22.2	174.4	-62.6	-177.6	-178.2	177.4	0	113.5	P215	P215-K217 PolarHBondContact O-N 3.06Å
218	K	91.6	Very high	97.2	Very high	118 Å²	118	51.6 Å²	51.6	51%	0.513	28%	0.282	S	S	.	.	S	Bend	trans	-134.2	148.9	178.5	-67.6	-176.1	-179.8	-179.7	0	109	E229	K218-E229 IonicContact NZ-OE1 3.73Å; K218-E229 PolarHBondContact NZ-OE1 2.96Å; K218-E229 IonicContact NZ-OE2 3.43Å; K218-E229 PolarHBondContact NZ-OE2 3.44Å
219	P	93.9	Very high	97	Very high	123 Å²	123	57.4 Å²	57.4	80%	0.799	31%	0.31	S	S	*	.	P	Polyproline II helix	trans	-61.5	147.2	172.6	-9.2	21.7	0	0	0	110.6
220	L	96.1	Very high	97	Very high	60 Å²	60	60.9 Å²	60.9	31%	0.314	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-79.2	138.6	169.7	-63.7	-179.7	0	0	0	110.1	L216 P225	L216-L220 HydrophobicContact CD1-CD1 4.07Å; L216-L220 HydrophobicContact CD1-CD2 4.36Å; L216-L220 HydrophobicContact CD1-CG 3.77Å; L216-L220 HydrophobicContact CD2-CD2 4.31Å; L220-P225 HydrophobicContact CD1-CG 4.35Å; L220-P225 HydrophobicContact CD2-CB 4.18Å; L220-P225 HydrophobicContact CD2-CG 4.26Å
221	V	97.1	Very high	96.9	Very high	63 Å²	63	61.2 Å²	61.2	38%	0.382	33%	0.328	S	S	.	.	B	Isolated β-bridge	trans	-95.1	129.6	165.4	-177.7	0	0	0	0	107.5	D94 N223 W224	D94-V221 HydrophobicContact CB-CB 4.23Å; D94-V221 WeakPolarHBondContact OD2-CB 3.4Å; D94-V221 WeakPolarHBondContact OD2-CG2 3.03Å; V221-N223 PolarHBondContact O-N 3.27Å; V221-N223 VanDerWaalsContact O-N 3.12Å; V221-W224 WeakPolarHBondContact O-CB 3.17Å; V221-W224 PolarHBondContact O-N 3.39Å
222	N	95.5	Very high	97	Very high	52 Å²	52	61.6 Å²	61.6	28%	0.278	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.3	31.3	179.6	-58.7	-24.5	0	0	0	114.7	R92 T93 W224	R92-N222 WeakPolarHBondContact O-CB 3.38Å; T93-N222 PolarHBondContact O-ND2 2.96Å; N222-W224 PolarHBondContact O-N 2.69Å; N222-W224 VanDerWaalsContact O-N 3.1Å
223	N	97.4	Very high	97	Very high	80 Å²	80	60.8 Å²	60.8	43%	0.428	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	27.6	-173	-60.4	-48	0	0	0	113.7	G77 M78 V221 P225	G77-N223 PolarHBondContact O-ND2 3.03Å; G77-N223 VanDerWaalsContact O-ND2 3.13Å; M78-N223 HydrophobicContact CG-CB 4.42Å; M78-N223 WeakPolarHBondContact CG-O 3.11Å; V221-N223 PolarHBondContact O-N 3.27Å; V221-N223 VanDerWaalsContact O-N 3.12Å; N223-P225 WeakPolarHBondContact O-CD 3.34Å
224	W	98.4	Very high	97	Very high	4 Å²	4	59.7 Å²	59.7	2%	0.015	32%	0.316	C	S	.	.	B	Isolated β-bridge	trans	-106.2	104.9	-178.2	-172.8	-95.5	0	0	0	111	M78 A91 T93 D94 D97 Y179 V221 N222 C226	M78-W224 HydrophobicContact CE-CE3 4.15Å; M78-W224 HydrophobicContact CE-CZ3 4.49Å; A91-W224 HydrophobicContact CB-CZ3 4.27Å; T93-W224 HydrophobicContact CG2-CD2 3.73Å; T93-W224 HydrophobicContact CG2-CE3 3.93Å; T93-W224 HydrophobicContact CG2-CG 4.39Å; T93-W224 HydrophobicContact CG2-CH2 3.78Å; T93-W224 HydrophobicContact CG2-CZ2 3.56Å; T93-W224 HydrophobicContact CG2-CZ3 3.96Å; D94-W224 HydrophobicContact CB-CB 4.37Å; D94-W224 HydrophobicContact CB-CG 4.48Å; D97-W224 PolarHBondContact OD2-NE1 3.44Å; Y179-W224 AromaticContact CD1-CH2 3.61Å; Y179-W224 HydrophobicContact CD1-CH2 3.61Å; Y179-W224 HydrophobicContact CD1-CZ3 4.22Å; Y179-W224 HydrophobicContact CD2-CH2 4.08Å; Y179-W224 AromaticContact CD2-CZ3 3.92Å; Y179-W224 HydrophobicContact CD2-CZ3 3.92Å; Y179-W224 AromaticContact CE1-CH2 3.7Å; Y179-W224 HydrophobicContact CE1-CH2 3.7Å; Y179-W224 HydrophobicContact CE1-CZ3 4.49Å; Y179-W224 HydrophobicContact CE2-CH2 4.12Å; Y179-W224 HydrophobicContact CE2-CZ3 4.18Å; Y179-W224 AromaticContact CG-CH2 3.83Å; Y179-W224 HydrophobicContact CG-CH2 3.83Å; Y179-W224 AromaticContact CG-CZ3 3.94Å; Y179-W224 HydrophobicContact CG-CZ3 3.94Å; Y179-W224 AromaticContact CZ-CH2 3.95Å; V221-W224 WeakPolarHBondContact O-CB 3.17Å; V221-W224 PolarHBondContact O-N 3.39Å; N222-W224 PolarHBondContact O-N 2.69Å; N222-W224 VanDerWaalsContact O-N 3.1Å; W224-C226 PolarHBondContact O-N 3.06Å
225	P	98.3	Very high	97	Very high	8 Å²	8	56.4 Å²	56.4	5%	0.052	30%	0.299	C	S	.	.			trans	-67.2	120.3	175.4	-18.7	33.5	0	0	0	110.8	M78 V210 C212 L220 N223	M78-P225 VanDerWaalsContact CE-CD 3.46Å; M78-P225 HydrophobicContact CE-CG 4.33Å; V210-P225 HydrophobicContact CB-CB 3.98Å; V210-P225 WeakPolarHBondContact CB-O 3.24Å; V210-P225 HydrophobicContact CG1-CB 4.43Å; V210-P225 HydrophobicContact CG2-CB 3.62Å; C212-P225 HydrophobicContact CB-CB 4.11Å; L220-P225 HydrophobicContact CD1-CG 4.35Å; L220-P225 HydrophobicContact CD2-CB 4.18Å; L220-P225 HydrophobicContact CD2-CG 4.26Å; N223-P225 WeakPolarHBondContact O-CD 3.34Å
226	C	98.5	Very high	97.1	Very high	16 Å²	16	51.2 Å²	51.2	11%	0.108	26%	0.264	C	S	.	.			trans	-154.4	164	169	65.1	0	0	0	0	110.3	D94 D97 V210 C212 W224 G246	D94-C226 VanDerWaalsContact CB-SG 3.52Å; D97-C226 HydrophobicContact CB-CB 3.91Å; V210-C226 CarbonylContact O-C 3.59Å; C212-C226 PolarHBondContact SG-N 2.89Å; C212-C226 VanDerWaalsContact SG-N 3.36Å; C212-C226 PolarHBondContact SG-O 2.89Å; W224-C226 PolarHBondContact O-N 3.06Å; C226-G246 WeakPolarHBondContact CB-O 3.4Å
227	N	98.1	Very high	97.1	Very high	26 Å²	26	48.4 Å²	48.4	14%	0.139	25%	0.25	C	S	.	.			trans	-131.5	77.6	174.3	-168.6	-28.8	0	0	0	108.8	V210 G211 E229 Q230 T231 F245 G246	V210-N227 PolarHBondContact O-N 2.78Å; G211-N227 PolarHBondContact O-ND2 3.11Å; N227-E229 PolarHBondContact O-N 3.09Å; N227-E229 PolarHBondContact OD1-OE2 3.11Å; N227-Q230 PolarHBondContact O-N 3.14Å; N227-Q230 WeakPolarHBondContact OD1-CB 3.36Å; N227-Q230 PolarHBondContact OD1-N 2.89Å; N227-T231 PolarHBondContact O-N 3.03Å; N227-T231 PolarHBondContact O-OG1 3.33Å; N227-F245 HydrophobicContact CB-CE1 4.41Å; N227-G246 CarbonylContact C-O 3.56Å; N227-G246 PolarHBondContact N-O 2.97Å
228	P	96.6	Very high	97.1	Very high	32 Å²	32	44.9 Å²	44.9	21%	0.208	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-36.9	-174.6	-27.1	37	0	0	0	112.3	K104 Q230 T231	K104-P228 PolarHBondContact NZ-O 3.13Å; P228-Q230 PolarHBondContact O-N 2.92Å; P228-T231 WeakPolarHBondContact CA-OG1 3.36Å; P228-T231 PolarHBondContact O-N 2.65Å; P228-T231 PolarHBondContact O-OG1 2.91Å
229	E	96.1	Very high	97.2	Very high	122 Å²	122	46.1 Å²	46.1	57%	0.57	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-38.9	-177.5	-57	91.9	162	0	0	112.3	K218 N227	K218-E229 IonicContact NZ-OE1 3.73Å; K218-E229 PolarHBondContact NZ-OE1 2.96Å; K218-E229 IonicContact NZ-OE2 3.43Å; K218-E229 PolarHBondContact NZ-OE2 3.44Å; N227-E229 PolarHBondContact O-N 3.09Å; N227-E229 PolarHBondContact OD1-OE2 3.11Å
230	Q	97.2	Very high	97.3	Very high	73 Å²	73	43.2 Å²	43.2	34%	0.341	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	5.4	-178.7	-62.2	-163.6	23.2	0	0	114.5	R143 N227 P228 L232 F245	R143-Q230 PolarHBondContact NE-O 2.94Å; R143-Q230 PolarHBondContact NH2-O 3.36Å; N227-Q230 PolarHBondContact O-N 3.14Å; N227-Q230 WeakPolarHBondContact OD1-CB 3.36Å; N227-Q230 PolarHBondContact OD1-N 2.89Å; P228-Q230 PolarHBondContact O-N 2.92Å; Q230-L232 PolarHBondContact O-N 3.35Å; Q230-F245 HydrophobicContact CB-CD1 4.14Å; Q230-F245 HydrophobicContact CB-CE1 3.85Å
231	T	98.4	Very high	97.4	Very high	10 Å²	10	42.5 Å²	42.5	6%	0.061	21%	0.207	C	C	.	.			trans	-49.8	133.4	-178.5	-64.4	0	0	0	0	111.8	K104 N227 P228 F245 G246	K104-T231 HydrophobicContact CB-CG2 4.48Å; K104-T231 HydrophobicContact CD-CG2 4.16Å; K104-T231 VanDerWaalsContact CD-O 3.32Å; K104-T231 WeakPolarHBondContact CD-O 3.48Å; N227-T231 PolarHBondContact O-N 3.03Å; N227-T231 PolarHBondContact O-OG1 3.33Å; P228-T231 WeakPolarHBondContact CA-OG1 3.36Å; P228-T231 PolarHBondContact O-N 2.65Å; P228-T231 PolarHBondContact O-OG1 2.91Å; T231-F245 CarbonylContact C-O 3.57Å; T231-F245 WeakPolarHBondContact CA-O 3.44Å; T231-G246 PolarHBondContact OG1-O 3.12Å
232	L	98.7	Very high	97.5	Very high	12 Å²	12	39.5 Å²	39.5	6%	0.063	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	128.6	176.7	178.3	66.1	0	0	0	109	V106 M131 A139 Q230 A234 S244 F245	V106-L232 HydrophobicContact CG2-CD1 3.9Å; M131-L232 HydrophobicContact CE-CD1 3.97Å; A139-L232 HydrophobicContact CB-CD2 3.77Å; Q230-L232 PolarHBondContact O-N 3.35Å; L232-A234 HydrophobicContact CG-CB 4.49Å; L232-S244 CarbonylContact O-C 3.59Å; L232-S244 WeakPolarHBondContact O-CA 3.26Å; L232-F245 PolarHBondContact N-O 2.82Å; L232-F245 PolarHBondContact O-N 2.84Å
233	V	98.8	Very high	97.6	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.012	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	98.5	175.7	-170	0	0	0	0	108.5	K104 T105 V106 N252	K104-V233 PolarHBondContact O-N 2.77Å; T105-V233 CarbonylContact C-O 3.59Å; T105-V233 VanDerWaalsContact CA-O 3.3Å; T105-V233 WeakPolarHBondContact CA-O 3.44Å; T105-V233 HydrophobicContact CG2-CB 4.39Å; V106-V233 PolarHBondContact N-O 3.49Å; V233-N252 HydrophobicContact CG2-CB 3.92Å
234	A	98.8	Very high	97.7	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.008	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	143.8	-173.9	0	0	0	0	0	112.3	V106 F136 L232 I243	V106-A234 HydrophobicContact CG2-CB 3.83Å; V106-A234 WeakPolarHBondContact O-CA 3.32Å; F136-A234 HydrophobicContact CD2-CB 3.87Å; F136-A234 HydrophobicContact CE2-CB 3.39Å; F136-A234 HydrophobicContact CZ-CB 4.29Å; L232-A234 HydrophobicContact CG-CB 4.49Å; A234-I243 PolarHBondContact N-O 2.97Å; A234-I243 PolarHBondContact O-N 2.77Å
235	H	98.9	Very high	97.7	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	130.5	178.4	-47.1	74	0	0	0	108.1	V106 I107 V108 P237 C259 R263 I264	V106-H235 PolarHBondContact O-N 2.9Å; V106-H235 PolarHBondContact O-ND1 2.86Å; I107-H235 CarbonylContact C-O 3.59Å; I107-H235 WeakPolarHBondContact CA-O 3.45Å; I107-H235 HydrophobicContact CG1-CB 4.17Å; V108-H235 PolarHBondContact N-O 3.38Å; H235-P237 WeakPolarHBondContact O-CD 3.5Å; H235-C259 WeakPolarHBondContact NE2-CA 3.36Å; H235-C259 VanDerWaalsContact NE2-CB 3.3Å; H235-C259 WeakPolarHBondContact NE2-CB 3.49Å; H235-C259 PolarHBondContact NE2-SG 3.41Å; H235-C259 VanDerWaalsContact NE2-SG 3.42Å; H235-R263 VanDerWaalsContact CE1-CD 3.48Å; H235-R263 WeakPolarHBondContact CE1-CD 3.13Å; H235-R263 PolarHBondContact CE1-NH1 3.27Å; H235-R263 WeakPolarHBondContact NE2-CD 3.43Å; H235-R263 PolarHBondContact NE2-NH1 2.91Å; H235-I264 HydrophobicContact CB-CD1 3.99Å
236	I	98.7	Very high	97.7	Very high	9 Å²	9	33.5 Å²	33.5	5%	0.046	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	83.3	-178.3	-49.8	92.4	0	0	0	107.3	V108 F136 E238 R239 R240 Q241 I243	V108-I236 HydrophobicContact CB-CG1 3.97Å; V108-I236 HydrophobicContact CG2-CG1 4.2Å; F136-I236 HydrophobicContact CE1-CD1 3.95Å; F136-I236 HydrophobicContact CE1-CG1 4.09Å; F136-I236 HydrophobicContact CE2-CD1 4.36Å; F136-I236 HydrophobicContact CZ-CD1 3.71Å; F136-I236 HydrophobicContact CZ-CG1 4.29Å; I236-E238 VanDerWaalsContact C-N 3.35Å; I236-E238 PolarHBondContact O-N 3.16Å; I236-R239 HydrophobicContact CG2-CB 3.98Å; I236-R239 HydrophobicContact CG2-CG 3.96Å; I236-R239 PolarHBondContact O-N 2.95Å; I236-R239 VanDerWaalsContact O-N 3.16Å; I236-R240 PolarHBondContact O-N 3.41Å; I236-R240 VanDerWaalsContact O-N 3.15Å; I236-Q241 HydrophobicContact CB-CB 4.11Å; I236-Q241 HydrophobicContact CD1-CB 4.02Å; I236-Q241 PolarHBondContact N-O 2.83Å; I236-Q241 PolarHBondContact O-N 3.34Å; I236-Q241 VanDerWaalsContact O-N 3.11Å; I236-I243 HydrophobicContact CD1-CG1 3.86Å
237	P	97.3	Very high	97.7	Very high	14 Å²	14	32.7 Å²	32.7	9%	0.091	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-60.3	-41.4	-170	-22.9	33.1	0	0	0	113.4	I107 H235 R239 R240 I264 R267	I107-P237 HydrophobicContact CG2-CG 3.88Å; H235-P237 WeakPolarHBondContact O-CD 3.5Å; P237-R239 PolarHBondContact O-N 2.99Å; P237-R239 VanDerWaalsContact O-N 3.14Å; P237-R240 PolarHBondContact O-N 2.82Å; P237-I264 HydrophobicContact CB-CD1 4.27Å; P237-I264 HydrophobicContact CG-CD1 4.16Å; P237-R267 HydrophobicContact CB-CB 4.12Å; P237-R267 HydrophobicContact CB-CG 3.76Å
238	E	94.1	Very high	97.7	Very high	117 Å²	117	31.5 Å²	31.5	55%	0.547	14%	0.144	S	C	.	.	G	3₁₀ helix	trans	-57.6	-29.4	179.1	-65.6	173.3	-151	0	0	113.2	I236	I236-E238 VanDerWaalsContact C-N 3.35Å; I236-E238 PolarHBondContact O-N 3.16Å
239	R	94	Very high	97.7	Very high	143 Å²	143	30.2 Å²	30.2	54%	0.54	14%	0.135	S	C	.	.	G	3₁₀ helix	trans	-102.7	2	179.1	-60.3	-175.4	-175.9	173.5	1.7	113.1	I236 P237 Q241	I236-R239 HydrophobicContact CG2-CB 3.98Å; I236-R239 HydrophobicContact CG2-CG 3.96Å; I236-R239 PolarHBondContact O-N 2.95Å; I236-R239 VanDerWaalsContact O-N 3.16Å; P237-R239 PolarHBondContact O-N 2.99Å; P237-R239 VanDerWaalsContact O-N 3.14Å; R239-Q241 HydrophobicContact CB-CB 4.24Å; R239-Q241 HydrophobicContact CB-CG 4.1Å; R239-Q241 PolarHBondContact O-N 3.49Å
240	R	96	Very high	97.5	Very high	62 Å²	62	24.4 Å²	24.4	23%	0.234	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.2	48.4	-170.3	-60.4	-172.4	-175.6	171	12.4	111.7	E202 V204 R205 I236 P237	E202-R240 VanDerWaalsContact CD-NH1 3.32Å; E202-R240 IonicContact OE1-NH1 2.67Å; E202-R240 IonicContact OE1-NH2 3.79Å; E202-R240 IonicContact OE2-CZ 2.65Å; E202-R240 IonicContact OE2-NH1 3.62Å; E202-R240 PolarHBondContact OE2-NH1 3.28Å; E202-R240 IonicContact OE2-NH2 2.77Å; E202-R240 PolarHBondContact OE2-NH2 3.37Å; V204-R240 WeakPolarHBondContact CA-O 3.47Å; V204-R240 WeakPolarHBondContact CG1-O 3.27Å; V204-R240 HydrophobicContact CG2-CB 4.35Å; R205-R240 PolarHBondContact N-O 2.7Å; I236-R240 PolarHBondContact O-N 3.41Å; I236-R240 VanDerWaalsContact O-N 3.15Å; P237-R240 PolarHBondContact O-N 2.82Å
241	Q	98.5	Very high	97.2	Very high	46 Å²	46	21.2 Å²	21.2	22%	0.215	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	140.1	-176	-84.9	172.1	-7.1	0	0	111.1	R205 I236 R239	R205-Q241 HydrophobicContact CB-CG 3.72Å; R205-Q241 CarbonylContact O-C 3.59Å; R205-Q241 WeakPolarHBondContact O-CA 3.43Å; I236-Q241 HydrophobicContact CB-CB 4.11Å; I236-Q241 HydrophobicContact CD1-CB 4.02Å; I236-Q241 PolarHBondContact N-O 2.83Å; I236-Q241 PolarHBondContact O-N 3.34Å; I236-Q241 VanDerWaalsContact O-N 3.11Å; R239-Q241 HydrophobicContact CB-CB 4.24Å; R239-Q241 HydrophobicContact CB-CG 4.1Å; R239-Q241 PolarHBondContact O-N 3.49Å
242	I	98.9	Very high	97.1	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	126.5	171	-60.4	166.6	0	0	0	106.5	V204 R205 C206 L207 L255 C259 F260 I264	V204-I242 HydrophobicContact CG1-CD1 3.83Å; V204-I242 HydrophobicContact CG1-CG1 4.18Å; R205-I242 PolarHBondContact O-N 2.77Å; C206-I242 CarbonylContact C-O 3.35Å; C206-I242 WeakPolarHBondContact CA-O 3.35Å; L207-I242 PolarHBondContact N-O 2.98Å; I242-L255 HydrophobicContact CG2-CB 4.24Å; I242-L255 HydrophobicContact CG2-CD1 3.91Å; I242-L255 HydrophobicContact CG2-CD2 3.93Å; I242-L255 HydrophobicContact CG2-CG 4.25Å; I242-C259 HydrophobicContact CD1-CB 3.84Å; I242-C259 HydrophobicContact CG1-CB 4.33Å; I242-C259 HydrophobicContact CG2-CB 3.61Å; I242-F260 HydrophobicContact CD1-CB 3.61Å; I242-F260 HydrophobicContact CD1-CG 4.41Å; I242-I264 HydrophobicContact CD1-CG1 3.83Å; I242-I264 HydrophobicContact CG1-CD1 4.28Å; I242-I264 HydrophobicContact CG1-CG1 3.62Å
243	I	98.8	Very high	97.1	Very high	12 Å²	12	20.3 Å²	20.3	6%	0.062	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	120.4	-180	-50.2	-66	0	0	0	108.9	F136 M140 F144 L207 A234 I236	F136-I243 HydrophobicContact CZ-CB 4.19Å; F136-I243 HydrophobicContact CZ-CG1 3.96Å; M140-I243 HydrophobicContact CE-CG2 4.08Å; M140-I243 HydrophobicContact SD-CB 4.37Å; M140-I243 HydrophobicContact SD-CG1 4.49Å; M140-I243 HydrophobicContact SD-CG2 3.55Å; M140-I243 VanDerWaalsContact SD-CG2 3.55Å; F144-I243 HydrophobicContact CD2-CG2 4.31Å; F144-I243 HydrophobicContact CE1-CG2 4.07Å; F144-I243 HydrophobicContact CE2-CG2 3.34Å; F144-I243 HydrophobicContact CZ-CG2 3.19Å; L207-I243 HydrophobicContact CB-CD1 3.55Å; L207-I243 HydrophobicContact CB-CG2 4.49Å; L207-I243 HydrophobicContact CD2-CD1 4.02Å; L207-I243 HydrophobicContact CD2-CG2 4.27Å; L207-I243 HydrophobicContact CG-CD1 4.4Å; L207-I243 CarbonylContact O-C 3.59Å; L207-I243 WeakPolarHBondContact O-CA 3.27Å; A234-I243 PolarHBondContact N-O 2.97Å; A234-I243 PolarHBondContact O-N 2.77Å; I236-I243 HydrophobicContact CD1-CG1 3.86Å
244	S	98.9	Very high	97.1	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	134.8	-178.4	-172.2	0	0	0	0	111.5	L207 H208 S209 L232 N252	L207-S244 PolarHBondContact O-N 3.15Å; H208-S244 CarbonylContact C-O 3.53Å; H208-S244 VanDerWaalsContact CA-O 3.27Å; H208-S244 WeakPolarHBondContact CA-O 3.35Å; S209-S244 PolarHBondContact N-O 3.12Å; L232-S244 CarbonylContact O-C 3.59Å; L232-S244 WeakPolarHBondContact O-CA 3.26Å; S244-N252 VanDerWaalsContact CB-O 3.31Å; S244-N252 WeakPolarHBondContact CB-O 3.46Å; S244-N252 PolarHBondContact OG-O 3.45Å
245	F	98.9	Very high	97.1	Very high	5 Å²	5	20.2 Å²	20.2	2%	0.022	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	140.9	-178	-170.8	-93.3	0	0	0	110.9	R143 F144 C147 S209 N227 Q230 T231 L232 S247	R143-F245 HydrophobicContact CB-CD1 4Å; R143-F245 HydrophobicContact CB-CD2 3.82Å; R143-F245 HydrophobicContact CB-CE1 4.01Å; R143-F245 HydrophobicContact CB-CE2 3.83Å; R143-F245 HydrophobicContact CB-CG 3.89Å; R143-F245 HydrophobicContact CB-CZ 3.91Å; R143-F245 HydrophobicContact CG-CD1 3.77Å; R143-F245 HydrophobicContact CG-CD2 4.49Å; R143-F245 HydrophobicContact CG-CE1 3.86Å; R143-F245 HydrophobicContact CG-CG 4.09Å; R143-F245 HydrophobicContact CG-CZ 4.25Å; R143-F245 WeakPolarHBondContact O-CE2 3.32Å; R143-F245 WeakPolarHBondContact O-CZ 3.34Å; F144-F245 HydrophobicContact CD1-CD2 4.42Å; F144-F245 HydrophobicContact CD2-CD2 4.33Å; F144-F245 HydrophobicContact CE1-CD2 4.1Å; F144-F245 HydrophobicContact CE2-CB 3.94Å; F144-F245 HydrophobicContact CE2-CD2 4.01Å; F144-F245 HydrophobicContact CE2-CG 4.34Å; F144-F245 HydrophobicContact CZ-CB 3.83Å; F144-F245 AromaticContact CZ-CD2 3.89Å; F144-F245 HydrophobicContact CZ-CD2 3.89Å; F144-F245 HydrophobicContact CZ-CG 4.34Å; C147-F245 HydrophobicContact CB-CE2 3.78Å; S209-F245 CarbonylContact O-C 3.59Å; S209-F245 WeakPolarHBondContact O-CA 3.23Å; N227-F245 HydrophobicContact CB-CE1 4.41Å; Q230-F245 HydrophobicContact CB-CD1 4.14Å; Q230-F245 HydrophobicContact CB-CE1 3.85Å; T231-F245 CarbonylContact C-O 3.57Å; T231-F245 WeakPolarHBondContact CA-O 3.44Å; L232-F245 PolarHBondContact N-O 2.82Å; L232-F245 PolarHBondContact O-N 2.84Å; F245-S247 PolarHBondContact O-N 2.94Å
246	G	98.4	Very high	97.1	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	9%	0.089	C	C	.	.	S	Bend	trans	85.7	-2.8	163	0	0	0	0	0	116.5	S209 V210 C226 N227 T231	S209-G246 PolarHBondContact O-N 2.58Å; V210-G246 WeakPolarHBondContact O-CA 3.5Å; C226-G246 WeakPolarHBondContact CB-O 3.4Å; N227-G246 CarbonylContact C-O 3.56Å; N227-G246 PolarHBondContact N-O 2.97Å; T231-G246 PolarHBondContact OG1-O 3.12Å
247	S	98.6	Very high	97.1	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	9%	0.089	C	C	.	.			trans	-131	124.5	-179.9	173.3	0	0	0	0	110.2	D97 H208 F245 Y249 N252	D97-S247 VanDerWaalsContact OD1-CB 3.31Å; D97-S247 WeakPolarHBondContact OD1-CB 3.43Å; D97-S247 PolarHBondContact OD1-OG 3.39Å; H208-S247 PolarHBondContact NE2-O 3.19Å; F245-S247 PolarHBondContact O-N 2.94Å; S247-Y249 PolarHBondContact OG-N 2.89Å; S247-N252 VanDerWaalsContact OG-CB 3.31Å; S247-N252 WeakPolarHBondContact OG-CB 3.46Å; S247-N252 PolarHBondContact OG-ND2 2.94Å
248	G	97.7	Very high	97.1	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.01	9%	0.086	C	C	.	.			trans	-88.6	-6.4	172.8	0	0	0	0	0	113.1	D97 S253	D97-G248 PolarHBondContact OD2-N 2.86Å; G248-S253 WeakPolarHBondContact O-CB 3.42Å; G248-S253 PolarHBondContact O-OG 3.29Å
249	Y	96.4	Very high	97.3	Very high	4 Å²	4	14.3 Å²	14.3	2%	0.016	6%	0.06	C	C	.	.	S	Bend	trans	-83	121.8	-171.2	-178.9	-87.7	0	0	0	114.1	D97 V98 S247 G251 N252 N417 R419	D97-Y249 WeakPolarHBondContact OD1-CB 3.39Å; D97-Y249 PolarHBondContact OD2-N 2.88Å; V98-Y249 VanDerWaalsContact O-CE2 3.27Å; V98-Y249 WeakPolarHBondContact O-CE2 3.43Å; V98-Y249 PolarHBondContact O-OH 2.89Å; S247-Y249 PolarHBondContact OG-N 2.89Å; Y249-G251 PolarHBondContact O-N 3.03Å; Y249-N252 WeakPolarHBondContact O-CB 3.32Å; Y249-N252 PolarHBondContact O-N 3.38Å; Y249-N417 PolarHBondContact OH-ND2 3.1Å; Y249-N417 PolarHBondContact OH-O 2.82Å; Y249-R419 WeakPolarHBondContact OH-CG 3.39Å
250	G	92.5	Very high	97.5	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	40.1	-114.6	156.7	0	0	0	0	0	115.3	N252 S253 L254	G250-N252 PolarHBondContact O-N 3.36Å; G250-S253 PolarHBondContact N-OG 3.2Å; G250-S253 PolarHBondContact O-N 2.8Å; G250-S253 PolarHBondContact O-OG 3.36Å; G250-L254 WeakPolarHBondContact O-CB 3.3Å; G250-L254 WeakPolarHBondContact O-CG 3.39Å; G250-L254 PolarHBondContact O-N 3.11Å
251	G	90.1	Very high	97.7	Very high	7 Å²	7	4.6 Å²	4.6	7%	0.072	2%	0.024	C	C	.	.	H	α-helix	trans	-65.2	-8	-174.5	0	0	0	0	0	116.3	Y249	Y249-G251 PolarHBondContact O-N 3.03Å
252	N	97	Very high	97.7	Very high	3 Å²	3	2.4 Å²	2.4	2%	0.016	1%	0.013	C	C	.	.	H	α-helix	trans	-94.6	-22.1	174.4	-54.5	-27.9	0	0	0	111.8	A99 V233 S244 S247 Y249 G250 L255	A99-N252 PolarHBondContact O-ND2 3.47Å; A99-N252 VanDerWaalsContact O-ND2 3.12Å; V233-N252 HydrophobicContact CG2-CB 3.92Å; S244-N252 VanDerWaalsContact CB-O 3.31Å; S244-N252 WeakPolarHBondContact CB-O 3.46Å; S244-N252 PolarHBondContact OG-O 3.45Å; S247-N252 VanDerWaalsContact OG-CB 3.31Å; S247-N252 WeakPolarHBondContact OG-CB 3.46Å; S247-N252 PolarHBondContact OG-ND2 2.94Å; Y249-N252 WeakPolarHBondContact O-CB 3.32Å; Y249-N252 PolarHBondContact O-N 3.38Å; G250-N252 PolarHBondContact O-N 3.36Å; N252-L255 WeakPolarHBondContact O-CD2 3.25Å
253	S	98.3	Very high	97.7	Very high	0 Å²	0	2.8 Å²	2.8	0%	0	2%	0.015	C	C	.	.	H	α-helix	trans	-119	-26.2	-172.6	63.8	0	0	0	0	113.9	V180 G248 G250 L255	V180-S253 WeakPolarHBondContact CG1-O 3.32Å; G248-S253 WeakPolarHBondContact O-CB 3.42Å; G248-S253 PolarHBondContact O-OG 3.29Å; G250-S253 PolarHBondContact N-OG 3.2Å; G250-S253 PolarHBondContact O-N 2.8Å; G250-S253 PolarHBondContact O-OG 3.36Å; S253-L255 VanDerWaalsContact C-N 3.35Å; S253-L255 PolarHBondContact O-N 2.85Å; S253-L255 VanDerWaalsContact O-N 3.12Å
254	L	98.7	Very high	97.7	Very high	0 Å²	0	2.3 Å²	2.3	0%	0	1%	0.012	C	C	.	.			trans	-84.4	79.6	171.9	-52	-176.8	0	0	0	108.5	V180 S183 M184 M187 G250 G256 K257 F347	V180-L254 HydrophobicContact CG1-CD2 4.24Å; S183-L254 VanDerWaalsContact CB-CD2 3.42Å; M184-L254 HydrophobicContact CG-CD2 3.95Å; M184-L254 HydrophobicContact SD-CB 3.9Å; M184-L254 HydrophobicContact SD-CD2 4.22Å; M187-L254 HydrophobicContact CG-CD1 4.15Å; G250-L254 WeakPolarHBondContact O-CB 3.3Å; G250-L254 WeakPolarHBondContact O-CG 3.39Å; G250-L254 PolarHBondContact O-N 3.11Å; L254-G256 PolarHBondContact O-N 3.23Å; L254-G256 VanDerWaalsContact O-N 3.17Å; L254-K257 HydrophobicContact CB-CB 4.49Å; L254-K257 PolarHBondContact O-N 2.89Å; L254-F347 HydrophobicContact CD1-CD2 4.43Å; L254-F347 HydrophobicContact CD1-CE2 4.41Å
255	L	98.8	Very high	97.7	Very high	0 Å²	0	2.3 Å²	2.3	0%	0	1%	0.012	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-21.6	-163.8	-60.4	-172.2	0	0	0	113.3	E173 C206 H208 I242 N252 S253 K257 C259 F260	E173-L255 HydrophobicContact CG-CD1 4.27Å; E173-L255 WeakPolarHBondContact OE2-CB 3.42Å; E173-L255 PolarHBondContact OE2-N 3.48Å; C206-L255 HydrophobicContact CB-CB 3.94Å; C206-L255 HydrophobicContact CB-CD1 3.69Å; C206-L255 HydrophobicContact CB-CG 4.45Å; H208-L255 HydrophobicContact CB-CD1 3.87Å; H208-L255 HydrophobicContact CB-CG 4.43Å; I242-L255 HydrophobicContact CG2-CB 4.24Å; I242-L255 HydrophobicContact CG2-CD1 3.91Å; I242-L255 HydrophobicContact CG2-CD2 3.93Å; I242-L255 HydrophobicContact CG2-CG 4.25Å; N252-L255 WeakPolarHBondContact O-CD2 3.25Å; S253-L255 VanDerWaalsContact C-N 3.35Å; S253-L255 PolarHBondContact O-N 2.85Å; S253-L255 VanDerWaalsContact O-N 3.12Å; L255-K257 VanDerWaalsContact C-N 3.29Å; L255-K257 PolarHBondContact O-N 2.8Å; L255-C259 HydrophobicContact CD2-CB 4.4Å; L255-C259 WeakPolarHBondContact O-CB 3.29Å; L255-F260 VanDerWaalsContact O-CB 3.25Å; L255-F260 WeakPolarHBondContact O-CB 3.43Å; L255-F260 PolarHBondContact O-N 2.67Å
256	G	98.4	Very high	97.7	Very high	0 Å²	0	2.1 Å²	2.1	0%	0	1%	0.012	C	C	.	.	I	π-helix	trans	-61.4	-31	169.9	0	0	0	0	0	114.3	M160 L254 A261	M160-G256 VanDerWaalsContact CE-O 3.25Å; M160-G256 WeakPolarHBondContact CE-O 3.29Å; L254-G256 PolarHBondContact O-N 3.23Å; L254-G256 VanDerWaalsContact O-N 3.17Å; G256-A261 VanDerWaalsContact O-CB 3.3Å; G256-A261 WeakPolarHBondContact O-CB 3.3Å; G256-A261 PolarHBondContact O-N 2.77Å; G256-A261 VanDerWaalsContact O-N 3.11Å
257	K	98.1	Very high	97.7	Very high	8 Å²	8	3.4 Å²	3.4	4%	0.035	2%	0.016	C	C	.	.	I	π-helix	trans	-77.1	-86.5	-170.1	-174.8	169.9	179.5	69.7	0	113.3	M187 L254 L255 A261 D325 I326 E343 F347	M187-K257 HydrophobicContact CE-CD 4.41Å; L254-K257 HydrophobicContact CB-CB 4.49Å; L254-K257 PolarHBondContact O-N 2.89Å; L255-K257 VanDerWaalsContact C-N 3.29Å; L255-K257 PolarHBondContact O-N 2.8Å; K257-A261 VanDerWaalsContact O-CB 3.31Å; K257-A261 WeakPolarHBondContact O-CB 3.45Å; K257-A261 PolarHBondContact O-N 2.73Å; K257-A261 VanDerWaalsContact O-N 3.15Å; K257-D325 VanDerWaalsContact CE-OD2 3.27Å; K257-D325 WeakPolarHBondContact CE-OD2 3.3Å; K257-D325 IonicContact NZ-OD2 3.88Å; K257-D325 PolarHBondContact NZ-OD2 2.77Å; K257-I326 HydrophobicContact CG-CD1 4.11Å; K257-I326 VanDerWaalsContact O-CD1 3.3Å; K257-I326 WeakPolarHBondContact O-CD1 3.4Å; K257-E343 WeakPolarHBondContact CD-OE1 3.49Å; K257-E343 VanDerWaalsContact CG-OE1 3.3Å; K257-E343 WeakPolarHBondContact CG-OE1 3.28Å; K257-E343 IonicContact NZ-OE1 3.14Å; K257-E343 PolarHBondContact NZ-OE1 2.85Å; K257-E343 IonicContact NZ-OE2 3.73Å; K257-E343 PolarHBondContact NZ-OE2 2.83Å; K257-F347 HydrophobicContact CD-CB 4.27Å
258	K	97.8	Very high	97.7	Very high	10 Å²	10	3.8 Å²	3.8	4%	0.043	2%	0.018	C	C	.	.	I	π-helix	trans	-82.9	-38.2	-173.7	-61.9	-54.5	-169	-179.1	0	112.1	L262 R263 H278 D325 F499	K258-L262 HydrophobicContact CD-CD1 3.68Å; K258-R263 PolarHBondContact O-N 3.45Å; K258-H278 PolarHBondContact NZ-CD2 3.22Å; K258-H278 PolarHBondContact NZ-NE2 3.45Å; K258-H278 VanDerWaalsContact NZ-NE2 3.14Å; K258-D325 VanDerWaalsContact CE-OD2 3.28Å; K258-D325 WeakPolarHBondContact CE-OD2 3.49Å; K258-D325 IonicContact NZ-OD1 3.29Å; K258-D325 PolarHBondContact NZ-OD1 3.06Å; K258-D325 IonicContact NZ-OD2 2.75Å; K258-D325 PolarHBondContact NZ-OD2 3.49Å; K258-F499 HydrophobicContact CB-CD1 4.33Å; K258-F499 HydrophobicContact CB-CE1 4.02Å; K258-F499 HydrophobicContact CD-CD1 4.2Å; K258-F499 HydrophobicContact CD-CE1 3.53Å; K258-F499 HydrophobicContact CD-CZ 3.86Å; K258-F499 HydrophobicContact CG-CE1 3.81Å; K258-F499 HydrophobicContact CG-CZ 4.46Å
259	C	98.8	Very high	97.7	Very high	0 Å²	0	3.8 Å²	3.8	0%	0	2%	0.019	C	C	.	.	I	π-helix	trans	-69.6	-50.6	-176.3	-55.9	0	0	0	0	111.3	H235 I242 L255 R263 I264	H235-C259 WeakPolarHBondContact NE2-CA 3.36Å; H235-C259 VanDerWaalsContact NE2-CB 3.3Å; H235-C259 WeakPolarHBondContact NE2-CB 3.49Å; H235-C259 PolarHBondContact NE2-SG 3.41Å; H235-C259 VanDerWaalsContact NE2-SG 3.42Å; I242-C259 HydrophobicContact CD1-CB 3.84Å; I242-C259 HydrophobicContact CG1-CB 4.33Å; I242-C259 HydrophobicContact CG2-CB 3.61Å; L255-C259 HydrophobicContact CD2-CB 4.4Å; L255-C259 WeakPolarHBondContact O-CB 3.29Å; C259-R263 WeakPolarHBondContact O-CB 3.44Å; C259-I264 PolarHBondContact O-N 3.35Å
260	F	98.8	Very high	97.8	Very high	1 Å²	1	7 Å²	7	0%	0.004	3%	0.033	C	C	.	.	I	π-helix	trans	-79.5	-67.5	175.5	-172.4	-179.1	0	0	0	110.9	F158 M160 K169 V204 I242 L255 L262 I264 A265 I268 W328	F158-F260 AromaticContact CE2-CD1 3.76Å; F158-F260 HydrophobicContact CE2-CD1 3.76Å; F158-F260 HydrophobicContact CE2-CE1 4.16Å; F158-F260 AromaticContact CZ-CD1 3.92Å; F158-F260 HydrophobicContact CZ-CD1 3.92Å; F158-F260 HydrophobicContact CZ-CE1 4.45Å; M160-F260 HydrophobicContact CG-CD1 3.78Å; M160-F260 HydrophobicContact CG-CE1 3.86Å; M160-F260 HydrophobicContact CG-CG 4.47Å; K169-F260 HydrophobicContact CB-CE1 4.4Å; K169-F260 HydrophobicContact CB-CE2 4.21Å; K169-F260 HydrophobicContact CB-CZ 3.52Å; K169-F260 HydrophobicContact CG-CZ 4.48Å; V204-F260 HydrophobicContact CB-CD1 4.05Å; V204-F260 HydrophobicContact CB-CD2 4.45Å; V204-F260 HydrophobicContact CB-CE1 3.76Å; V204-F260 HydrophobicContact CB-CE2 4.22Å; V204-F260 HydrophobicContact CB-CG 4.39Å; V204-F260 HydrophobicContact CB-CZ 3.85Å; V204-F260 HydrophobicContact CG1-CD1 4.3Å; V204-F260 HydrophobicContact CG1-CD2 4.41Å; V204-F260 HydrophobicContact CG1-CE1 4.49Å; V204-F260 HydrophobicContact CG1-CG 4.27Å; V204-F260 HydrophobicContact CG2-CD1 4.24Å; V204-F260 HydrophobicContact CG2-CD2 3.94Å; V204-F260 HydrophobicContact CG2-CE1 3.69Å; V204-F260 HydrophobicContact CG2-CE2 3.37Å; V204-F260 HydrophobicContact CG2-CG 4.36Å; V204-F260 HydrophobicContact CG2-CZ 3.21Å; I242-F260 HydrophobicContact CD1-CB 3.61Å; I242-F260 HydrophobicContact CD1-CG 4.41Å; L255-F260 VanDerWaalsContact O-CB 3.25Å; L255-F260 WeakPolarHBondContact O-CB 3.43Å; L255-F260 PolarHBondContact O-N 2.67Å; F260-L262 PolarHBondContact O-N 2.92Å; F260-I264 HydrophobicContact CD2-CB 4.12Å; F260-I264 HydrophobicContact CD2-CG2 4.08Å; F260-I264 HydrophobicContact CE2-CG2 4.36Å; F260-I264 PolarHBondContact O-N 3.23Å; F260-A265 WeakPolarHBondContact O-CB 3.24Å; F260-A265 PolarHBondContact O-N 3.35Å; F260-I268 HydrophobicContact CE2-CD1 4.46Å; F260-W328 HydrophobicContact CE2-CH2 4.41Å; F260-W328 HydrophobicContact CZ-CH2 4.49Å
261	A	98.8	Very high	98	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.06	C	C	.	.	I	π-helix	trans	-70.9	-4.1	-163	0	0	0	0	0	116.8	M160 G256 K257 A265 I326 W328 P342	M160-A261 HydrophobicContact CE-CB 3.79Å; G256-A261 VanDerWaalsContact O-CB 3.3Å; G256-A261 WeakPolarHBondContact O-CB 3.3Å; G256-A261 PolarHBondContact O-N 2.77Å; G256-A261 VanDerWaalsContact O-N 3.11Å; K257-A261 VanDerWaalsContact O-CB 3.31Å; K257-A261 WeakPolarHBondContact O-CB 3.45Å; K257-A261 PolarHBondContact O-N 2.73Å; K257-A261 VanDerWaalsContact O-N 3.15Å; A261-A265 WeakPolarHBondContact O-CB 3.43Å; A261-I326 HydrophobicContact CB-CD1 3.87Å; A261-I326 HydrophobicContact CB-CG2 4.11Å; A261-W328 HydrophobicContact CB-CZ2 3.78Å; A261-W328 PolarHBondContact O-NE1 3.07Å; A261-P342 HydrophobicContact CB-CB 4.49Å; A261-P342 HydrophobicContact CB-CG 4.17Å
262	L	98.8	Very high	98.4	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	7%	0.073	C	C	.	.	I	π-helix	trans	-119.4	-57.4	166.2	-60.8	176	0	0	0	112.9	K258 F260 S266 E277 H278 I326 M496 F499	K258-L262 HydrophobicContact CD-CD1 3.68Å; F260-L262 PolarHBondContact O-N 2.92Å; L262-S266 WeakPolarHBondContact O-CA 3.41Å; L262-S266 WeakPolarHBondContact O-CB 3.48Å; L262-S266 PolarHBondContact O-N 3.36Å; L262-S266 PolarHBondContact O-OG 3.02Å; L262-E277 WeakPolarHBondContact CD2-O 3.2Å; L262-H278 HydrophobicContact CD1-CB 4.06Å; L262-H278 HydrophobicContact CD2-CB 4.28Å; L262-I326 HydrophobicContact CD2-CG1 4.27Å; L262-I326 HydrophobicContact CD2-CG2 3.85Å; L262-I326 HydrophobicContact CG-CD1 4.2Å; L262-I326 HydrophobicContact CG-CG1 4.32Å; L262-I326 HydrophobicContact CG-CG2 4.49Å; L262-M496 HydrophobicContact CB-CE 4.4Å; L262-M496 HydrophobicContact CD1-SD 4.41Å; L262-M496 HydrophobicContact CD2-CE 4.45Å; L262-M496 HydrophobicContact CD2-SD 4.07Å; L262-F499 HydrophobicContact CB-CB 3.97Å; L262-F499 HydrophobicContact CB-CG 4.46Å; L262-F499 HydrophobicContact CD1-CB 3.88Å; L262-F499 HydrophobicContact CD1-CD1 3.82Å; L262-F499 HydrophobicContact CD1-CD2 3.78Å; L262-F499 HydrophobicContact CD1-CE1 4.23Å; L262-F499 HydrophobicContact CD1-CE2 4.23Å; L262-F499 HydrophobicContact CD1-CG 3.57Å; L262-F499 HydrophobicContact CD1-CZ 4.42Å
263	R	98.8	Very high	98.4	Very high	8 Å²	8	16.6 Å²	16.6	3%	0.03	8%	0.079	C	C	.	.	I	π-helix	trans	-70.6	-60.1	-172.2	-64.4	-177.1	-161.8	102.6	2.6	112.3	H235 K258 C259 A265 S266 P498 F499 G501	H235-R263 VanDerWaalsContact CE1-CD 3.48Å; H235-R263 WeakPolarHBondContact CE1-CD 3.13Å; H235-R263 PolarHBondContact CE1-NH1 3.27Å; H235-R263 WeakPolarHBondContact NE2-CD 3.43Å; H235-R263 PolarHBondContact NE2-NH1 2.91Å; K258-R263 PolarHBondContact O-N 3.45Å; C259-R263 WeakPolarHBondContact O-CB 3.44Å; R263-A265 VanDerWaalsContact C-N 3.34Å; R263-A265 PolarHBondContact O-N 3.21Å; R263-S266 PolarHBondContact O-OG 3.05Å; R263-S266 VanDerWaalsContact O-OG 3.09Å; R263-P498 PolarHBondContact NE-O 3.01Å; R263-P498 VanDerWaalsContact NE-O 3.09Å; R263-P498 PolarHBondContact NH2-O 2.7Å; R263-F499 VanDerWaalsContact CG-O 3.28Å; R263-F499 WeakPolarHBondContact CG-O 3.47Å; R263-G501 WeakPolarHBondContact O-CA 3.35Å
264	I	98.8	Very high	98.5	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.005	8%	0.081	C	C	.	.	I	π-helix	trans	-64.2	-43.4	177.1	-63.6	-64.2	0	0	0	110.5	V204 H235 P237 I242 C259 F260 S266 R267 I268	V204-I264 HydrophobicContact CG1-CG2 4.44Å; V204-I264 HydrophobicContact CG2-CG2 4.25Å; H235-I264 HydrophobicContact CB-CD1 3.99Å; P237-I264 HydrophobicContact CB-CD1 4.27Å; P237-I264 HydrophobicContact CG-CD1 4.16Å; I242-I264 HydrophobicContact CD1-CG1 3.83Å; I242-I264 HydrophobicContact CG1-CD1 4.28Å; I242-I264 HydrophobicContact CG1-CG1 3.62Å; C259-I264 PolarHBondContact O-N 3.35Å; F260-I264 HydrophobicContact CD2-CB 4.12Å; F260-I264 HydrophobicContact CD2-CG2 4.08Å; F260-I264 HydrophobicContact CE2-CG2 4.36Å; F260-I264 PolarHBondContact O-N 3.23Å; I264-S266 PolarHBondContact O-N 3.26Å; I264-R267 PolarHBondContact O-N 3.28Å; I264-I268 HydrophobicContact CG2-CD1 3.72Å; I264-I268 HydrophobicContact CG2-CG1 4.35Å; I264-I268 WeakPolarHBondContact O-CG1 3.18Å; I264-I268 PolarHBondContact O-N 2.74Å; I264-I268 VanDerWaalsContact O-N 3.1Å
265	A	98.8	Very high	98.5	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-62	-40.3	-178.6	0	0	0	0	0	112.9	F260 A261 R263 R267 I268 A269 W274 A276 W328	F260-A265 WeakPolarHBondContact O-CB 3.24Å; F260-A265 PolarHBondContact O-N 3.35Å; A261-A265 WeakPolarHBondContact O-CB 3.43Å; R263-A265 VanDerWaalsContact C-N 3.34Å; R263-A265 PolarHBondContact O-N 3.21Å; A265-R267 VanDerWaalsContact C-N 3.32Å; A265-R267 PolarHBondContact O-N 3.02Å; A265-I268 CarbonylContact O-C 3.53Å; A265-I268 PolarHBondContact O-N 3.31Å; A265-A269 WeakPolarHBondContact O-CB 3.18Å; A265-A269 PolarHBondContact O-N 3.37Å; A265-W274 HydrophobicContact CB-CH2 3.98Å; A265-A276 HydrophobicContact CB-CB 3.68Å; A265-W328 HydrophobicContact CB-CZ2 3.72Å
266	S	98.8	Very high	98.5	Very high	2 Å²	2	17.3 Å²	17.3	1%	0.014	8%	0.082	C	C	.	.	H	α-helix	trans	-65.8	-34.5	178.9	60.1	0	0	0	0	112.5	L262 R263 I264 A269 K270 G501 Y502	L262-S266 WeakPolarHBondContact O-CA 3.41Å; L262-S266 WeakPolarHBondContact O-CB 3.48Å; L262-S266 PolarHBondContact O-N 3.36Å; L262-S266 PolarHBondContact O-OG 3.02Å; R263-S266 PolarHBondContact O-OG 3.05Å; R263-S266 VanDerWaalsContact O-OG 3.09Å; I264-S266 PolarHBondContact O-N 3.26Å; S266-A269 PolarHBondContact O-N 2.71Å; S266-K270 PolarHBondContact O-N 3Å; S266-G501 WeakPolarHBondContact OG-CA 3.41Å; S266-G501 PolarHBondContact OG-N 3.02Å; S266-Y502 VanDerWaalsContact O-CE1 3.25Å; S266-Y502 WeakPolarHBondContact O-CE1 3.35Å
267	R	98.6	Very high	98.5	Very high	26 Å²	26	17.4 Å²	17.4	10%	0.098	8%	0.082	C	C	.	.	H	α-helix	trans	-64.5	-48	171.8	-173	81.8	-179	-153.7	-6.9	111	E114 P237 I264 A265 A269 K270 E271	E114-R267 PolarHBondContact O-NH1 3.39Å; E114-R267 VanDerWaalsContact O-NH1 3.16Å; E114-R267 IonicContact OE2-CZ 2.7Å; E114-R267 IonicContact OE2-NH1 2.93Å; E114-R267 IonicContact OE2-NH2 2.58Å; E114-R267 PolarHBondContact OE2-NH2 2.65Å; P237-R267 HydrophobicContact CB-CB 4.12Å; P237-R267 HydrophobicContact CB-CG 3.76Å; I264-R267 PolarHBondContact O-N 3.28Å; A265-R267 VanDerWaalsContact C-N 3.32Å; A265-R267 PolarHBondContact O-N 3.02Å; R267-A269 VanDerWaalsContact C-N 3.26Å; R267-A269 PolarHBondContact O-N 3.05Å; R267-K270 WeakPolarHBondContact O-CB 3.3Å; R267-K270 PolarHBondContact O-N 2.78Å; R267-E271 WeakPolarHBondContact CG-OE1 3.41Å; R267-E271 IonicContact NE-OE1 3.25Å; R267-E271 PolarHBondContact NE-OE1 2.9Å; R267-E271 WeakPolarHBondContact O-CG 3.37Å; R267-E271 PolarHBondContact O-N 3.05Å; R267-E271 VanDerWaalsContact O-N 3.15Å
268	I	98.3	Very high	98.5	Very high	8 Å²	8	17 Å²	17	4%	0.041	8%	0.081	C	C	.	.	H	α-helix	trans	-59.2	-41.6	175.7	-63.2	171	0	0	0	110.3	F260 I264 A265 K270 E271 E272 W274	F260-I268 HydrophobicContact CE2-CD1 4.46Å; I264-I268 HydrophobicContact CG2-CD1 3.72Å; I264-I268 HydrophobicContact CG2-CG1 4.35Å; I264-I268 WeakPolarHBondContact O-CG1 3.18Å; I264-I268 PolarHBondContact O-N 2.74Å; I264-I268 VanDerWaalsContact O-N 3.1Å; A265-I268 CarbonylContact O-C 3.53Å; A265-I268 PolarHBondContact O-N 3.31Å; I268-K270 PolarHBondContact O-N 2.8Å; I268-E271 PolarHBondContact O-N 3.41Å; I268-E271 VanDerWaalsContact O-N 3.14Å; I268-E272 HydrophobicContact CG2-CG 4.1Å; I268-E272 VanDerWaalsContact CG2-OE1 3.28Å; I268-E272 WeakPolarHBondContact CG2-OE1 3.48Å; I268-E272 WeakPolarHBondContact CG2-OE2 3.41Å; I268-E272 WeakPolarHBondContact O-CB 3.33Å; I268-E272 WeakPolarHBondContact O-CG 3.47Å; I268-E272 PolarHBondContact O-N 2.63Å; I268-W274 HydrophobicContact CB-CZ2 4.08Å; I268-W274 HydrophobicContact CG2-CZ2 3.71Å
269	A	98.7	Very high	98.6	Very high	2 Å²	2	16.5 Å²	16.5	2%	0.017	8%	0.079	C	C	.	.	H	α-helix	trans	-63	-40.4	-179.9	0	0	0	0	0	112.4	A265 S266 R267 G273 W274 A276 H510	A265-A269 WeakPolarHBondContact O-CB 3.18Å; A265-A269 PolarHBondContact O-N 3.37Å; S266-A269 PolarHBondContact O-N 2.71Å; R267-A269 VanDerWaalsContact C-N 3.26Å; R267-A269 PolarHBondContact O-N 3.05Å; A269-G273 CarbonylContact O-C 3.48Å; A269-G273 WeakPolarHBondContact O-CA 3.49Å; A269-G273 PolarHBondContact O-N 3.02Å; A269-W274 CarbonylContact C-O 3.54Å; A269-W274 VanDerWaalsContact CA-CE2 3.41Å; A269-W274 HydrophobicContact CB-CD2 3.46Å; A269-W274 VanDerWaalsContact CB-CD2 3.46Å; A269-W274 HydrophobicContact CB-CE3 3.54Å; A269-W274 HydrophobicContact CB-CG 4.02Å; A269-W274 HydrophobicContact CB-CH2 3.99Å; A269-W274 HydrophobicContact CB-CZ2 3.94Å; A269-W274 HydrophobicContact CB-CZ3 3.81Å; A269-W274 VanDerWaalsContact CB-O 3.3Å; A269-W274 WeakPolarHBondContact CB-O 3.01Å; A269-W274 PolarHBondContact O-N 2.92Å; A269-A276 HydrophobicContact CB-CB 4.21Å; A269-H510 PolarHBondContact O-NE2 3.04Å
270	K	98.5	Very high	98.6	Very high	72 Å²	72	16.5 Å²	16.5	31%	0.313	8%	0.079	S	C	.	.	H	α-helix	trans	-58.9	-47.7	170.4	-179.2	-168	-175.2	-83.1	0	111.7	S266 R267 I268 Y502 Q506	S266-K270 PolarHBondContact O-N 3Å; R267-K270 WeakPolarHBondContact O-CB 3.3Å; R267-K270 PolarHBondContact O-N 2.78Å; I268-K270 PolarHBondContact O-N 2.8Å; K270-Y502 HydrophobicContact CB-CE1 4.01Å; K270-Y502 HydrophobicContact CB-CE2 4.34Å; K270-Y502 HydrophobicContact CD-CD2 3.68Å; K270-Y502 HydrophobicContact CD-CE1 4.36Å; K270-Y502 HydrophobicContact CD-CE2 3.47Å; K270-Y502 VanDerWaalsContact CD-CE2 3.47Å; K270-Y502 HydrophobicContact CD-CG 4.2Å; K270-Y502 HydrophobicContact CG-CE2 4.15Å; K270-Q506 VanDerWaalsContact CE-OE1 3.27Å
271	E	97.6	Very high	98.6	Very high	120 Å²	120	16.5 Å²	16.5	56%	0.561	8%	0.078	S	C	*	.	H	α-helix	trans	-70	-37	-175	-70.2	166.5	-169.6	0	0	112.6	R267 I268	R267-E271 WeakPolarHBondContact CG-OE1 3.41Å; R267-E271 IonicContact NE-OE1 3.25Å; R267-E271 PolarHBondContact NE-OE1 2.9Å; R267-E271 WeakPolarHBondContact O-CG 3.37Å; R267-E271 PolarHBondContact O-N 3.05Å; R267-E271 VanDerWaalsContact O-N 3.15Å; I268-E271 PolarHBondContact O-N 3.41Å; I268-E271 VanDerWaalsContact O-N 3.14Å
272	E	97.5	Very high	98.6	Very high	77 Å²	77	16.5 Å²	16.5	36%	0.36	8%	0.079	S	C	.	.	H	α-helix	trans	-101.2	0.6	-174.9	-64.9	176.6	-178.9	0	0	113.6	K169 I268 W274	K169-E272 IonicContact NZ-OE1 2.71Å; K169-E272 PolarHBondContact NZ-OE1 3.01Å; K169-E272 IonicContact NZ-OE2 3.04Å; K169-E272 PolarHBondContact NZ-OE2 3.26Å; I268-E272 HydrophobicContact CG2-CG 4.1Å; I268-E272 VanDerWaalsContact CG2-OE1 3.28Å; I268-E272 WeakPolarHBondContact CG2-OE1 3.48Å; I268-E272 WeakPolarHBondContact CG2-OE2 3.41Å; I268-E272 WeakPolarHBondContact O-CB 3.33Å; I268-E272 WeakPolarHBondContact O-CG 3.47Å; I268-E272 PolarHBondContact O-N 2.63Å; E272-W274 VanDerWaalsContact CB-CD1 3.49Å; E272-W274 PolarHBondContact OE2-NE1 3.29Å
273	G	97.9	Very high	98.6	Very high	13 Å²	13	16.5 Å²	16.5	13%	0.134	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.3	51.7	176.4	0	0	0	0	0	114.4	A269 R517	A269-G273 CarbonylContact O-C 3.48Å; A269-G273 WeakPolarHBondContact O-CA 3.49Å; A269-G273 PolarHBondContact O-N 3.02Å; G273-R517 VanDerWaalsContact O-CZ 3.24Å; G273-R517 PolarHBondContact O-NH1 3.47Å; G273-R517 PolarHBondContact O-NH2 3.27Å
274	W	98.8	Very high	98.6	Very high	11 Å²	11	16.1 Å²	16.1	4%	0.042	8%	0.077	C	C	.	.			trans	-141.2	-172	169.5	56.9	-86.2	0	0	0	110	A265 I268 A269 E272 A276 W328 M329 K330 H510	A265-W274 HydrophobicContact CB-CH2 3.98Å; I268-W274 HydrophobicContact CB-CZ2 4.08Å; I268-W274 HydrophobicContact CG2-CZ2 3.71Å; A269-W274 CarbonylContact C-O 3.54Å; A269-W274 VanDerWaalsContact CA-CE2 3.41Å; A269-W274 HydrophobicContact CB-CD2 3.46Å; A269-W274 VanDerWaalsContact CB-CD2 3.46Å; A269-W274 HydrophobicContact CB-CE3 3.54Å; A269-W274 HydrophobicContact CB-CG 4.02Å; A269-W274 HydrophobicContact CB-CH2 3.99Å; A269-W274 HydrophobicContact CB-CZ2 3.94Å; A269-W274 HydrophobicContact CB-CZ3 3.81Å; A269-W274 VanDerWaalsContact CB-O 3.3Å; A269-W274 WeakPolarHBondContact CB-O 3.01Å; A269-W274 PolarHBondContact O-N 2.92Å; E272-W274 VanDerWaalsContact CB-CD1 3.49Å; E272-W274 PolarHBondContact OE2-NE1 3.29Å; W274-A276 HydrophobicContact CE3-CB 4.44Å; W274-A276 HydrophobicContact CH2-CB 4.14Å; W274-A276 HydrophobicContact CZ3-CB 3.63Å; W274-W328 HydrophobicContact CE3-CB 4.29Å; W274-W328 HydrophobicContact CE3-CG 4.42Å; W274-W328 AromaticContact CH2-CD2 3.97Å; W274-W328 HydrophobicContact CH2-CD2 3.97Å; W274-W328 HydrophobicContact CH2-CE3 4.39Å; W274-W328 HydrophobicContact CH2-CG 4.18Å; W274-W328 HydrophobicContact CZ3-CB 3.86Å; W274-W328 AromaticContact CZ3-CD1 3.72Å; W274-W328 AromaticContact CZ3-CD2 3.81Å; W274-W328 HydrophobicContact CZ3-CD2 3.81Å; W274-W328 HydrophobicContact CZ3-CE3 4.46Å; W274-W328 AromaticContact CZ3-CG 3.53Å; W274-W328 HydrophobicContact CZ3-CG 3.53Å; W274-M329 CarbonylContact C-O 3.49Å; W274-M329 WeakPolarHBondContact CB-O 3.31Å; W274-K330 HydrophobicContact CB-CB 3.8Å; W274-K330 HydrophobicContact CB-CD 4.08Å; W274-K330 HydrophobicContact CB-CG 3.86Å; W274-H510 PolarHBondContact O-NE2 3.18Å
275	L	98.9	Very high	98.6	Very high	3 Å²	3	17.2 Å²	17.2	2%	0.016	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	134.2	-177.1	-63.3	172.5	0	0	0	111.1	E277 W328 M329 W511 M514	L275-E277 HydrophobicContact CB-CG 4.02Å; L275-W328 CarbonylContact O-C 3.52Å; L275-W328 WeakPolarHBondContact O-CA 3.29Å; L275-M329 HydrophobicContact CB-CB 4.3Å; L275-M329 HydrophobicContact CB-CE 4.13Å; L275-M329 HydrophobicContact CD1-CE 4.09Å; L275-M329 PolarHBondContact N-O 2.7Å; L275-M329 PolarHBondContact O-N 2.85Å; L275-W511 HydrophobicContact CD1-CH2 4.23Å; L275-W511 HydrophobicContact CD1-CZ2 4.04Å; L275-W511 HydrophobicContact CD2-CD2 4.38Å; L275-W511 HydrophobicContact CD2-CG 4.42Å; L275-M514 HydrophobicContact CD2-CE 3.74Å; L275-M514 HydrophobicContact CG-CE 4Å
276	A	98.9	Very high	98.6	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.008	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	109.5	173.2	0	0	0	0	0	109.1	A265 A269 W274	A265-A276 HydrophobicContact CB-CB 3.68Å; A269-A276 HydrophobicContact CB-CB 4.21Å; W274-A276 HydrophobicContact CE3-CB 4.44Å; W274-A276 HydrophobicContact CH2-CB 4.14Å; W274-A276 HydrophobicContact CZ3-CB 3.63Å
277	E	98.9	Very high	98.6	Very high	2 Å²	2	22.2 Å²	22.2	1%	0.009	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	148.3	-161.6	-57.5	-58.1	162.2	0	0	113	L262 L275 M279 I326 A327 M329 Y507 W511	L262-E277 WeakPolarHBondContact CD2-O 3.2Å; L275-E277 HydrophobicContact CB-CG 4.02Å; E277-M279 HydrophobicContact CB-CB 4.33Å; E277-M279 HydrophobicContact CB-CE 4.15Å; E277-M279 HydrophobicContact CB-CG 3.8Å; E277-M279 HydrophobicContact CB-SD 3.83Å; E277-M279 HydrophobicContact CG-CE 4.33Å; E277-M279 HydrophobicContact CG-SD 4.31Å; E277-M279 PolarHBondContact O-N 3.37Å; E277-I326 WeakPolarHBondContact O-CA 3.37Å; E277-A327 PolarHBondContact N-O 2.99Å; E277-A327 PolarHBondContact O-N 3.38Å; E277-M329 HydrophobicContact CB-CE 4.12Å; E277-M329 HydrophobicContact CG-CE 3.58Å; E277-Y507 WeakPolarHBondContact OE1-CE2 3.36Å; E277-Y507 PolarHBondContact OE1-OH 3.01Å; E277-Y507 VanDerWaalsContact OE1-OH 3.14Å; E277-Y507 PolarHBondContact OE2-OH 2.91Å; E277-W511 HydrophobicContact CG-CZ2 3.91Å; E277-W511 WeakPolarHBondContact OE1-CZ2 3.31Å; E277-W511 PolarHBondContact OE1-NE1 2.78Å
278	H	98.8	Very high	98.5	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.143	C	C	.	.	S	Bend	trans	-79.2	60.9	174.6	-177	-147.2	0	0	0	111.1	K258 L262 K304 D325 A495 M496 F499	K258-H278 PolarHBondContact NZ-CD2 3.22Å; K258-H278 PolarHBondContact NZ-NE2 3.45Å; K258-H278 VanDerWaalsContact NZ-NE2 3.14Å; L262-H278 HydrophobicContact CD1-CB 4.06Å; L262-H278 HydrophobicContact CD2-CB 4.28Å; H278-K304 PolarHBondContact CD2-NZ 3.34Å; H278-K304 PolarHBondContact CE1-NZ 3.38Å; H278-K304 PolarHBondContact NE2-NZ 2.84Å; H278-D325 CarbonylContact C-O 3.57Å; H278-D325 VanDerWaalsContact C-O 3.26Å; H278-D325 WeakPolarHBondContact CA-O 3.29Å; H278-D325 PolarHBondContact CD2-O 2.77Å; H278-D325 VanDerWaalsContact CD2-O 3.23Å; H278-D325 IonicContact CD2-OD1 2.67Å; H278-D325 PolarHBondContact CD2-OD1 3.14Å; H278-D325 VanDerWaalsContact CD2-OD1 3.23Å; H278-D325 IonicContact NE2-OD1 3.18Å; H278-D325 PolarHBondContact NE2-OD1 2.84Å; H278-A495 PolarHBondContact ND1-O 2.95Å; H278-M496 HydrophobicContact CB-CG 4.32Å; H278-M496 HydrophobicContact CB-SD 3.63Å; H278-F499 HydrophobicContact CB-CD2 4.27Å; H278-F499 AromaticContact CE1-CE2 3.46Å; H278-F499 VanDerWaalsContact CE1-CE2 3.46Å; H278-F499 WeakPolarHBondContact CE1-CE2 3.3Å; H278-F499 AromaticContact CG-CE2 3.88Å; H278-F499 AromaticContact ND1-CD2 3.9Å; H278-F499 AromaticContact ND1-CE2 3.47Å; H278-F499 WeakPolarHBondContact ND1-CE2 3.41Å; H278-F499 AromaticContact NE2-CE2 3.87Å
279	M	98.9	Very high	98.5	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	17%	0.169	C	C	.	.			trans	-120.3	141	-173.8	-69.7	179.9	-179.7	0	0	111.8	E277 A295 A296 A297 D325 I326 A327 M329 I445 F447 W511	E277-M279 HydrophobicContact CB-CB 4.33Å; E277-M279 HydrophobicContact CB-CE 4.15Å; E277-M279 HydrophobicContact CB-CG 3.8Å; E277-M279 HydrophobicContact CB-SD 3.83Å; E277-M279 HydrophobicContact CG-CE 4.33Å; E277-M279 HydrophobicContact CG-SD 4.31Å; E277-M279 PolarHBondContact O-N 3.37Å; M279-A295 HydrophobicContact CB-CB 4.32Å; M279-A295 HydrophobicContact SD-CB 3.89Å; M279-A296 VanDerWaalsContact CA-O 3.22Å; M279-A296 WeakPolarHBondContact CA-O 3.42Å; M279-A297 HydrophobicContact CE-CB 3.7Å; M279-A297 HydrophobicContact CG-CB 3.6Å; M279-A297 HydrophobicContact SD-CB 4.48Å; M279-D325 PolarHBondContact N-O 3.32Å; M279-D325 CarbonylContact O-C 3.5Å; M279-I326 CarbonylContact O-C 3.57Å; M279-I326 WeakPolarHBondContact O-CA 3.44Å; M279-I326 PolarHBondContact O-N 3.48Å; M279-A327 HydrophobicContact CB-CB 3.84Å; M279-A327 PolarHBondContact O-N 3.22Å; M279-M329 HydrophobicContact SD-CE 3.72Å; M279-M329 HydrophobicContact SD-SD 4.42Å; M279-I445 HydrophobicContact CE-CG2 3.7Å; M279-I445 HydrophobicContact SD-CG2 4.26Å; M279-F447 HydrophobicContact CE-CE1 3.78Å; M279-F447 HydrophobicContact CE-CZ 4.19Å; M279-W511 HydrophobicContact CE-CH2 3.9Å; M279-W511 HydrophobicContact CE-CZ2 4.07Å
280	L	98.9	Very high	98.5	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	163.5	157.2	69.3	88.1	0	0	0	110.3	L282 A295 A296 K304 L307 A308 G323	L280-L282 HydrophobicContact CD1-CB 4.19Å; L280-L282 HydrophobicContact CD1-CD2 3.69Å; L280-L282 HydrophobicContact CD1-CG 3.93Å; L280-A295 WeakPolarHBondContact O-CA 3.17Å; L280-A296 HydrophobicContact CD1-CB 4.02Å; L280-A296 HydrophobicContact CD2-CB 3.83Å; L280-A296 HydrophobicContact CG-CB 3.73Å; L280-A296 PolarHBondContact N-O 3.22Å; L280-A296 PolarHBondContact O-N 2.87Å; L280-A296 VanDerWaalsContact O-N 3.1Å; L280-K304 HydrophobicContact CB-CB 4.39Å; L280-K304 HydrophobicContact CD2-CB 3.89Å; L280-K304 HydrophobicContact CD2-CG 4.23Å; L280-K304 VanDerWaalsContact CD2-O 3.26Å; L280-K304 WeakPolarHBondContact CD2-O 3.25Å; L280-L307 HydrophobicContact CD2-CB 3.92Å; L280-L307 HydrophobicContact CD2-CD2 4.19Å; L280-L307 HydrophobicContact CD2-CG 4.31Å; L280-A308 HydrophobicContact CB-CB 3.97Å; L280-A308 HydrophobicContact CD1-CB 4.4Å; L280-A308 HydrophobicContact CD2-CB 4.27Å; L280-A308 HydrophobicContact CG-CB 4.45Å; L280-G323 CarbonylContact C-O 3.59Å; L280-G323 WeakPolarHBondContact CA-O 3.46Å; L280-G323 WeakPolarHBondContact CB-O 3.38Å
281	I	98.9	Very high	98.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	127.4	167.4	-53.5	162.9	0	0	0	108	V322 G323 A327 A339 I340 V440 I442	I281-V322 HydrophobicContact CB-CB 3.8Å; I281-V322 HydrophobicContact CB-CG1 3.93Å; I281-V322 HydrophobicContact CD1-CG1 4.1Å; I281-V322 HydrophobicContact CG2-CB 3.68Å; I281-V322 HydrophobicContact CG2-CG1 3.84Å; I281-V322 HydrophobicContact CG2-CG2 4.08Å; I281-V322 PolarHBondContact O-N 3.11Å; I281-G323 PolarHBondContact N-O 3.48Å; I281-G323 PolarHBondContact O-N 2.77Å; I281-G323 VanDerWaalsContact O-N 3.12Å; I281-G323 VanDerWaalsContact O-O 3.08Å; I281-A327 HydrophobicContact CD1-CB 3.7Å; I281-A327 HydrophobicContact CG1-CB 3.74Å; I281-A339 HydrophobicContact CD1-CB 3.73Å; I281-A339 HydrophobicContact CG1-CB 4.34Å; I281-I340 WeakPolarHBondContact CD1-O 3.35Å; I281-V440 HydrophobicContact CG2-CG2 3.7Å; I281-I442 HydrophobicContact CG2-CD1 3.96Å
282	L	98.9	Very high	98.6	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	149.4	174.7	65.5	83	0	0	0	111.3	L280 I284 Y293 M294 L307 V319 E320 L551	L280-L282 HydrophobicContact CD1-CB 4.19Å; L280-L282 HydrophobicContact CD1-CD2 3.69Å; L280-L282 HydrophobicContact CD1-CG 3.93Å; L282-I284 HydrophobicContact CD1-CB 4.07Å; L282-I284 HydrophobicContact CD1-CG2 4.26Å; L282-Y293 VanDerWaalsContact O-CA 3.3Å; L282-Y293 WeakPolarHBondContact O-CA 3.35Å; L282-M294 HydrophobicContact CD1-CB 4.24Å; L282-M294 PolarHBondContact N-O 2.79Å; L282-M294 PolarHBondContact O-N 2.87Å; L282-L307 HydrophobicContact CD2-CG 3.94Å; L282-L307 WeakPolarHBondContact CD2-O 3.1Å; L282-V319 HydrophobicContact CB-CG1 4.29Å; L282-V319 HydrophobicContact CD1-CG1 4.5Å; L282-V319 HydrophobicContact CD2-CG1 4.45Å; L282-E320 CarbonylContact C-O 3.22Å; L282-E320 VanDerWaalsContact CA-O 3.3Å; L282-E320 WeakPolarHBondContact CA-O 3.42Å; L282-L551 HydrophobicContact CD2-CD1 4.47Å
283	G	98.9	Very high	98.7	Very high	0 Å²	0	24 Å²	24	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	132.9	163.9	0	0	0	0	0	109.5	K292 V319 E320	G283-K292 WeakPolarHBondContact CA-O 3.45Å; G283-V319 CarbonylContact O-C 3.43Å; G283-V319 WeakPolarHBondContact O-CA 3.4Å; G283-E320 PolarHBondContact N-O 3Å; G283-E320 PolarHBondContact O-N 2.94Å
284	I	98.7	Very high	98.7	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	129.1	175.1	179.8	170	0	0	0	108.8	L282 K291 K292 M294 W317 K318 V319 I548 L551 F555	L282-I284 HydrophobicContact CD1-CB 4.07Å; L282-I284 HydrophobicContact CD1-CG2 4.26Å; I284-K291 CarbonylContact O-C 3.49Å; I284-K291 VanDerWaalsContact O-CA 3.27Å; I284-K291 WeakPolarHBondContact O-CA 3.38Å; I284-K292 HydrophobicContact CG2-CB 4.39Å; I284-K292 WeakPolarHBondContact CG2-O 3.43Å; I284-K292 PolarHBondContact N-O 3.16Å; I284-K292 PolarHBondContact O-N 3.41Å; I284-M294 HydrophobicContact CG2-CE 3.96Å; I284-M294 HydrophobicContact CG2-CG 4.43Å; I284-M294 HydrophobicContact CG2-SD 4.38Å; I284-W317 HydrophobicContact CD1-CE3 3.51Å; I284-W317 HydrophobicContact CD1-CZ3 3.47Å; I284-W317 VanDerWaalsContact CD1-CZ3 3.47Å; I284-W317 HydrophobicContact CG1-CE3 3.56Å; I284-W317 HydrophobicContact CG1-CZ3 3.64Å; I284-K318 CarbonylContact C-O 3.47Å; I284-K318 WeakPolarHBondContact CA-O 3.49Å; I284-V319 HydrophobicContact CG1-CG2 4.37Å; I284-I548 HydrophobicContact CD1-CD1 3.62Å; I284-I548 HydrophobicContact CG1-CD1 4.33Å; I284-L551 HydrophobicContact CD1-CB 3.52Å; I284-L551 HydrophobicContact CD1-CD1 4.13Å; I284-L551 HydrophobicContact CD1-CG 4.48Å; I284-F555 HydrophobicContact CG1-CD2 4.4Å; I284-F555 HydrophobicContact CG2-CD2 3.77Å; I284-F555 HydrophobicContact CG2-CE2 4.19Å
285	T	98.9	Very high	98.7	Very high	24 Å²	24	23 Å²	23	15%	0.147	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	127.1	177.1	-48.3	0	0	0	0	109.4	E290 K291 W317 K318	T285-E290 CarbonylContact C-O 3.56Å; T285-E290 VanDerWaalsContact CA-O 3.26Å; T285-E290 WeakPolarHBondContact CA-O 3.34Å; T285-K291 HydrophobicContact CG2-CB 4.49Å; T285-W317 WeakPolarHBondContact O-CA 3.48Å; T285-K318 PolarHBondContact N-O 3.49Å; T285-K318 PolarHBondContact O-N 2.81Å
286	N	98.4	Very high	98.7	Very high	20 Å²	20	22.8 Å²	22.8	11%	0.107	14%	0.144	C	C	.	.			trans	-81.7	170.8	178.5	76	4.9	0	0	0	111.6	A288 G289 E290 W317 F555	N286-A288 PolarHBondContact O-N 3.4Å; N286-A288 VanDerWaalsContact O-N 3.11Å; N286-A288 WeakPolarHBondContact OD1-CA 3.17Å; N286-A288 WeakPolarHBondContact OD1-CB 3.25Å; N286-A288 PolarHBondContact OD1-N 3.5Å; N286-G289 PolarHBondContact O-N 3.24Å; N286-G289 PolarHBondContact OD1-N 2.84Å; N286-G289 VanDerWaalsContact OD1-N 3.09Å; N286-E290 PolarHBondContact N-O 3.28Å; N286-E290 PolarHBondContact ND2-OE2 2.99Å; N286-E290 WeakPolarHBondContact OD1-CB 3.32Å; N286-E290 PolarHBondContact OD1-N 2.81Å; N286-E290 PolarHBondContact OD1-O 2.78Å; N286-W317 HydrophobicContact CB-CE3 4.16Å; N286-W317 HydrophobicContact CB-CH2 3.59Å; N286-W317 HydrophobicContact CB-CZ2 4.03Å; N286-W317 HydrophobicContact CB-CZ3 3.66Å; N286-F555 HydrophobicContact CB-CE1 4.09Å; N286-F555 HydrophobicContact CB-CE2 4.31Å; N286-F555 HydrophobicContact CB-CZ 3.96Å; N286-F555 VanDerWaalsContact ND2-CE1 3.29Å; N286-F555 WeakPolarHBondContact ND2-CE1 3.08Å
287	P	98.1	Very high	98.7	Very high	86 Å²	86	22.8 Å²	22.8	56%	0.558	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-17.4	178.2	-26.1	35.7	0	0	0	115.4	G289 G316	P287-G289 VanDerWaalsContact C-N 3.31Å; P287-G316 WeakPolarHBondContact CA-O 3.46Å
288	A	97.8	Very high	98.7	Very high	82 Å²	82	22.7 Å²	22.7	68%	0.678	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-3.6	175.2	0	0	0	0	0	113	N286	N286-A288 PolarHBondContact O-N 3.4Å; N286-A288 VanDerWaalsContact O-N 3.11Å; N286-A288 WeakPolarHBondContact OD1-CA 3.17Å; N286-A288 WeakPolarHBondContact OD1-CB 3.25Å; N286-A288 PolarHBondContact OD1-N 3.5Å
289	G	98.2	Very high	98.5	Very high	57 Å²	57	23 Å²	23	59%	0.588	15%	0.145	S	C	*	.	S	Bend	trans	86.5	6.5	-179.3	0	0	0	0	0	114.5	N286 P287	N286-G289 PolarHBondContact O-N 3.24Å; N286-G289 PolarHBondContact OD1-N 2.84Å; N286-G289 VanDerWaalsContact OD1-N 3.09Å; P287-G289 VanDerWaalsContact C-N 3.31Å
290	E	98.5	Very high	97.9	Very high	104 Å²	104	23.7 Å²	23.7	49%	0.486	15%	0.15	S	C	.	.			trans	-80.7	134.7	175.7	-57.7	172.3	152.8	0	0	109.9	T285 N286 F555	T285-E290 CarbonylContact C-O 3.56Å; T285-E290 VanDerWaalsContact CA-O 3.26Å; T285-E290 WeakPolarHBondContact CA-O 3.34Å; N286-E290 PolarHBondContact N-O 3.28Å; N286-E290 PolarHBondContact ND2-OE2 2.99Å; N286-E290 WeakPolarHBondContact OD1-CB 3.32Å; N286-E290 PolarHBondContact OD1-N 2.81Å; N286-E290 PolarHBondContact OD1-O 2.78Å; E290-F555 HydrophobicContact CB-CE1 4.39Å; E290-F555 HydrophobicContact CB-CZ 3.91Å; E290-F555 WeakPolarHBondContact O-CZ 3.42Å
291	K	98.8	Very high	97.3	Very high	64 Å²	64	25.5 Å²	25.5	28%	0.278	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	136.7	-177.2	-173.5	171	-178.5	173	0	111.3	I284 T285 Y293 E320 D431	I284-K291 CarbonylContact O-C 3.49Å; I284-K291 VanDerWaalsContact O-CA 3.27Å; I284-K291 WeakPolarHBondContact O-CA 3.38Å; T285-K291 HydrophobicContact CG2-CB 4.49Å; K291-Y293 HydrophobicContact CD-CE2 4.49Å; K291-Y293 WeakPolarHBondContact CE-OH 3.49Å; K291-Y293 PolarHBondContact NZ-OH 3.03Å; K291-E320 WeakPolarHBondContact CE-OE2 3.38Å; K291-E320 IonicContact NZ-OE2 3.96Å; K291-E320 PolarHBondContact NZ-OE2 3.1Å; K291-D431 VanDerWaalsContact CE-OD2 3.23Å; K291-D431 WeakPolarHBondContact CE-OD2 3.37Å; K291-D431 IonicContact NZ-OD1 2.77Å; K291-D431 IonicContact NZ-OD2 3.94Å; K291-D431 PolarHBondContact NZ-OD2 2.79Å
292	K	98.9	Very high	97	Very high	16 Å²	16	25.5 Å²	25.5	7%	0.07	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	150	174.1	-63.2	-175.2	178.4	-64	0	110.1	G283 I284 E443 F555 V558 D559	G283-K292 WeakPolarHBondContact CA-O 3.45Å; I284-K292 HydrophobicContact CG2-CB 4.39Å; I284-K292 WeakPolarHBondContact CG2-O 3.43Å; I284-K292 PolarHBondContact N-O 3.16Å; I284-K292 PolarHBondContact O-N 3.41Å; K292-E443 WeakPolarHBondContact CA-OE1 3.5Å; K292-E443 WeakPolarHBondContact CB-OE1 3.38Å; K292-E443 WeakPolarHBondContact CD-OE2 3.11Å; K292-E443 WeakPolarHBondContact CG-OE1 3.28Å; K292-E443 IonicContact NZ-OE2 3.76Å; K292-E443 PolarHBondContact NZ-OE2 2.8Å; K292-F555 HydrophobicContact CB-CD2 4.08Å; K292-F555 HydrophobicContact CB-CE2 3.75Å; K292-F555 HydrophobicContact CB-CZ 4.4Å; K292-F555 HydrophobicContact CD-CD1 4.04Å; K292-F555 HydrophobicContact CD-CD2 3.82Å; K292-F555 HydrophobicContact CD-CE1 3.92Å; K292-F555 HydrophobicContact CD-CE2 3.72Å; K292-F555 HydrophobicContact CD-CG 3.98Å; K292-F555 HydrophobicContact CD-CZ 3.76Å; K292-F555 HydrophobicContact CG-CD2 4.02Å; K292-F555 HydrophobicContact CG-CE1 4.29Å; K292-F555 HydrophobicContact CG-CE2 3.49Å; K292-F555 VanDerWaalsContact CG-CE2 3.49Å; K292-F555 HydrophobicContact CG-CZ 3.64Å; K292-V558 HydrophobicContact CD-CB 4.24Å; K292-V558 HydrophobicContact CD-CG1 4.05Å; K292-D559 VanDerWaalsContact CE-CG 3.47Å; K292-D559 VanDerWaalsContact CE-OD1 3.26Å; K292-D559 WeakPolarHBondContact CE-OD1 3.22Å; K292-D559 WeakPolarHBondContact CE-OD2 3.38Å; K292-D559 IonicContact NZ-OD1 2.82Å; K292-D559 PolarHBondContact NZ-OD1 3.24Å; K292-D559 IonicContact NZ-OD2 3.29Å; K292-D559 PolarHBondContact NZ-OD2 2.86Å
293	Y	98.9	Very high	96.7	Very high	21 Å²	21	26.3 Å²	26.3	8%	0.082	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	139.2	173.9	-64.9	-93.2	0	0	0	111.7	L282 K291 V322 D431 V440 P441 E443	L282-Y293 VanDerWaalsContact O-CA 3.3Å; L282-Y293 WeakPolarHBondContact O-CA 3.35Å; K291-Y293 HydrophobicContact CD-CE2 4.49Å; K291-Y293 WeakPolarHBondContact CE-OH 3.49Å; K291-Y293 PolarHBondContact NZ-OH 3.03Å; Y293-V322 HydrophobicContact CD1-CG2 4.18Å; Y293-V322 HydrophobicContact CE1-CG2 3.85Å; Y293-D431 VanDerWaalsContact CE1-OD2 3.32Å; Y293-D431 WeakPolarHBondContact CE1-OD2 3.31Å; Y293-D431 PolarHBondContact OH-OD1 3.46Å; Y293-D431 PolarHBondContact OH-OD2 2.88Å; Y293-V440 HydrophobicContact CD1-CB 3.65Å; Y293-V440 HydrophobicContact CD1-CG1 3.96Å; Y293-V440 HydrophobicContact CD1-CG2 3.6Å; Y293-V440 HydrophobicContact CD2-CB 3.81Å; Y293-V440 HydrophobicContact CD2-CG1 4.42Å; Y293-V440 HydrophobicContact CD2-CG2 4.45Å; Y293-V440 HydrophobicContact CE1-CB 3.76Å; Y293-V440 HydrophobicContact CE1-CG1 3.54Å; Y293-V440 HydrophobicContact CE1-CG2 4.07Å; Y293-V440 HydrophobicContact CE2-CB 3.92Å; Y293-V440 HydrophobicContact CE2-CG1 4.05Å; Y293-V440 HydrophobicContact CG-CB 3.65Å; Y293-V440 HydrophobicContact CG-CG1 4.37Å; Y293-V440 HydrophobicContact CG-CG2 3.8Å; Y293-P441 WeakPolarHBondContact CB-O 3.35Å; Y293-P441 HydrophobicContact CD2-CG 4.37Å; Y293-E443 PolarHBondContact O-N 2.79Å
294	M	98.9	Very high	96.7	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	143	-179.4	-53.7	-171.3	176.7	0	0	110.1	L282 I284 A444 I446 L551 M554 F555	L282-M294 HydrophobicContact CD1-CB 4.24Å; L282-M294 PolarHBondContact N-O 2.79Å; L282-M294 PolarHBondContact O-N 2.87Å; I284-M294 HydrophobicContact CG2-CE 3.96Å; I284-M294 HydrophobicContact CG2-CG 4.43Å; I284-M294 HydrophobicContact CG2-SD 4.38Å; M294-A444 WeakPolarHBondContact CA-O 3.3Å; M294-A444 HydrophobicContact CB-CB 4.39Å; M294-A444 HydrophobicContact CE-CB 4.46Å; M294-A444 HydrophobicContact CG-CB 3.95Å; M294-A444 HydrophobicContact SD-CB 4.19Å; M294-I446 HydrophobicContact CB-CD1 4.36Å; M294-I446 HydrophobicContact SD-CD1 4.14Å; M294-L551 HydrophobicContact SD-CD2 4.12Å; M294-M554 HydrophobicContact CE-CB 4.03Å; M294-M554 HydrophobicContact SD-CB 4.42Å; M294-F555 HydrophobicContact CE-CB 4.26Å
295	A	98.9	Very high	96.6	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	145	170.6	0	0	0	0	0	110.2	M279 L280 M329 I442 A444 I445 I446	M279-A295 HydrophobicContact CB-CB 4.32Å; M279-A295 HydrophobicContact SD-CB 3.89Å; L280-A295 WeakPolarHBondContact O-CA 3.17Å; A295-M329 HydrophobicContact CB-SD 4.31Å; A295-I442 HydrophobicContact CB-CD1 4.27Å; A295-I442 HydrophobicContact CB-CG2 4.14Å; A295-A444 PolarHBondContact N-O 3.4Å; A295-I445 CarbonylContact O-C 3.59Å; A295-I445 WeakPolarHBondContact O-CA 3.45Å; A295-I446 PolarHBondContact O-N 3.14Å
296	A	98.9	Very high	96.6	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	124.8	177.5	0	0	0	0	0	114.1	M279 L280 F298 L307 I446	M279-A296 VanDerWaalsContact CA-O 3.22Å; M279-A296 WeakPolarHBondContact CA-O 3.42Å; L280-A296 HydrophobicContact CD1-CB 4.02Å; L280-A296 HydrophobicContact CD2-CB 3.83Å; L280-A296 HydrophobicContact CG-CB 3.73Å; L280-A296 PolarHBondContact N-O 3.22Å; L280-A296 PolarHBondContact O-N 2.87Å; L280-A296 VanDerWaalsContact O-N 3.1Å; A296-F298 HydrophobicContact CB-CE1 4.21Å; A296-F298 HydrophobicContact CB-CE2 4.1Å; A296-F298 HydrophobicContact CB-CZ 3.78Å; A296-L307 HydrophobicContact CB-CD2 4.33Å; A296-I446 CarbonylContact C-O 3.58Å; A296-I446 WeakPolarHBondContact CA-O 3.41Å; A296-I446 HydrophobicContact CB-CB 3.76Å; A296-I446 HydrophobicContact CB-CD1 4.38Å; A296-I446 HydrophobicContact CB-CG2 4.48Å
297	A	98.8	Very high	96.6	Very high	0 Å²	0	28 Å²	28	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	106.9	176.7	0	0	0	0	0	110.3	M279 I446 F447 G448 M474 A495	M279-A297 HydrophobicContact CE-CB 3.7Å; M279-A297 HydrophobicContact CG-CB 3.6Å; M279-A297 HydrophobicContact SD-CB 4.48Å; A297-I446 PolarHBondContact N-O 3.36Å; A297-F447 HydrophobicContact CB-CD1 3.76Å; A297-F447 HydrophobicContact CB-CE1 3.85Å; A297-G448 PolarHBondContact O-N 3.39Å; A297-M474 WeakPolarHBondContact O-CE 3.18Å; A297-A495 HydrophobicContact CB-CB 4.24Å
298	F	98.4	Very high	96.6	Very high	1 Å²	1	23.9 Å²	23.9	0%	0.004	16%	0.155	C	C	.	.			trans	-122.6	144	168	-46	-42.1	0	0	0	109.9	A296 C302 K304 L307 I446 G448 V528 W530	A296-F298 HydrophobicContact CB-CE1 4.21Å; A296-F298 HydrophobicContact CB-CE2 4.1Å; A296-F298 HydrophobicContact CB-CZ 3.78Å; F298-C302 HydrophobicContact CB-CB 3.85Å; F298-K304 HydrophobicContact CB-CG 3.81Å; F298-K304 HydrophobicContact CD2-CG 3.83Å; F298-K304 HydrophobicContact CG-CG 4.14Å; F298-K304 PolarHBondContact O-NZ 2.86Å; F298-L307 HydrophobicContact CE2-CB 4.47Å; F298-L307 HydrophobicContact CE2-CD2 3.6Å; F298-L307 HydrophobicContact CZ-CD2 3.81Å; F298-I446 HydrophobicContact CE1-CG2 4.06Å; F298-I446 HydrophobicContact CZ-CG2 4.1Å; F298-G448 WeakPolarHBondContact CD1-O 3.24Å; F298-V528 HydrophobicContact CE1-CG2 3.54Å; F298-V528 HydrophobicContact CZ-CG2 3.65Å; F298-W530 AromaticContact CE2-NE1 3.95Å; F298-W530 AromaticContact CZ-NE1 3.98Å
299	P	94.3	Very high	96.7	Very high	6 Å²	6	20 Å²	20	4%	0.039	12%	0.123	C	C	.	.			trans	-52.5	161.4	172.9	-30.9	39.1	0	0	0	113	A301 C302 G448 M474 D492 A495	P299-A301 PolarHBondContact O-N 2.67Å; P299-C302 HydrophobicContact CB-CB 4.48Å; P299-C302 VanDerWaalsContact O-CB 3.25Å; P299-C302 WeakPolarHBondContact O-CB 3.43Å; P299-C302 PolarHBondContact O-N 3.13Å; P299-G448 WeakPolarHBondContact CD-O 3.38Å; P299-M474 HydrophobicContact CG-CE 4.4Å; P299-D492 VanDerWaalsContact CB-OD2 3.25Å; P299-D492 WeakPolarHBondContact CB-OD2 3.17Å; P299-D492 HydrophobicContact CG-CB 3.93Å; P299-D492 WeakPolarHBondContact CG-OD2 3.41Å; P299-A495 HydrophobicContact CG-CB 4.16Å
300	S	87.5	Confident	96.7	Very high	15 Å²	15	17.5 Å²	17.5	11%	0.105	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	137.5	177.1	-61.2	0	0	0	0	111.1	R100 C302 T479 A481	R100-S300 PolarHBondContact NH2-OG 2.77Å; S300-C302 VanDerWaalsContact C-N 3.27Å; S300-C302 PolarHBondContact O-N 2.78Å; S300-T479 WeakPolarHBondContact O-CG2 3.34Å; S300-T479 PolarHBondContact O-OG1 3.11Å; S300-A481 VanDerWaalsContact CB-CB 3.42Å
301	A	86.1	Confident	96.6	Very high	37 Å²	37	15.6 Å²	15.6	31%	0.306	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	25.5	-174.2	0	0	0	0	0	115.4	P299 R450 T479	P299-A301 PolarHBondContact O-N 2.67Å; A301-R450 VanDerWaalsContact O-CZ 3.32Å; A301-R450 PolarHBondContact O-NE 3.24Å; A301-R450 PolarHBondContact O-NH2 3.32Å; A301-T479 HydrophobicContact CB-CG2 4.1Å
302	C	92.5	Very high	96.6	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.007	9%	0.091	C	C	.	.	S	Bend	trans	-107.5	18.9	173.1	-61.9	0	0	0	0	114.3	F298 P299 S300 S476	F298-C302 HydrophobicContact CB-CB 3.85Å; P299-C302 HydrophobicContact CB-CB 4.48Å; P299-C302 VanDerWaalsContact O-CB 3.25Å; P299-C302 WeakPolarHBondContact O-CB 3.43Å; P299-C302 PolarHBondContact O-N 3.13Å; S300-C302 VanDerWaalsContact C-N 3.27Å; S300-C302 PolarHBondContact O-N 2.78Å; C302-S476 PolarHBondContact SG-OG 2.88Å; C302-S476 VanDerWaalsContact SG-OG 3.38Å
303	G	93.2	Very high	96.5	Very high	18 Å²	18	16.7 Å²	16.7	19%	0.186	11%	0.108	C	C	.	.	S	Bend	trans	99.1	17.3	165.3	0	0	0	0	0	117	N306 L307	G303-N306 PolarHBondContact O-N 2.72Å; G303-L307 PolarHBondContact O-N 3.11Å
304	K	98.1	Very high	96.4	Very high	12 Å²	12	16 Å²	16	5%	0.052	11%	0.105	C	C	.	.	H	α-helix	trans	-58.1	-54.7	176.9	-67.6	-161.4	-63.2	-67	0	112.6	H278 L280 F298 N306 L307 A308 D324 D325	H278-K304 PolarHBondContact CD2-NZ 3.34Å; H278-K304 PolarHBondContact CE1-NZ 3.38Å; H278-K304 PolarHBondContact NE2-NZ 2.84Å; L280-K304 HydrophobicContact CB-CB 4.39Å; L280-K304 HydrophobicContact CD2-CB 3.89Å; L280-K304 HydrophobicContact CD2-CG 4.23Å; L280-K304 VanDerWaalsContact CD2-O 3.26Å; L280-K304 WeakPolarHBondContact CD2-O 3.25Å; F298-K304 HydrophobicContact CB-CG 3.81Å; F298-K304 HydrophobicContact CD2-CG 3.83Å; F298-K304 HydrophobicContact CG-CG 4.14Å; F298-K304 PolarHBondContact O-NZ 2.86Å; K304-N306 VanDerWaalsContact C-N 3.29Å; K304-N306 PolarHBondContact O-N 3.16Å; K304-L307 PolarHBondContact O-N 3.03Å; K304-A308 WeakPolarHBondContact O-CB 3.4Å; K304-A308 PolarHBondContact O-N 3.2Å; K304-D324 VanDerWaalsContact CB-O 3.24Å; K304-D324 WeakPolarHBondContact CB-O 3.31Å; K304-D325 IonicContact NZ-OD1 2.78Å
305	T	97.4	Very high	96.3	Very high	26 Å²	26	21 Å²	21	16%	0.16	14%	0.138	C	C	.	.	H	α-helix	trans	-58.1	-38.8	178.3	-45.2	0	0	0	0	112.7	M309 D324 N358	T305-M309 HydrophobicContact CG2-CE 4.18Å; T305-M309 HydrophobicContact CG2-SD 4.07Å; T305-M309 WeakPolarHBondContact O-CB 3.27Å; T305-M309 PolarHBondContact O-N 2.86Å; T305-M309 VanDerWaalsContact O-N 3.11Å; T305-D324 WeakPolarHBondContact CB-OD2 3.16Å; T305-D324 HydrophobicContact CG2-CB 4.4Å; T305-D324 WeakPolarHBondContact CG2-OD2 3.25Å; T305-D324 PolarHBondContact OG1-OD2 2.83Å; T305-N358 PolarHBondContact O-ND2 3.26Å
306	N	97.7	Very high	96.2	Very high	39 Å²	39	23.6 Å²	23.6	21%	0.209	17%	0.165	C	C	.	.	H	α-helix	trans	-64.3	-39.4	175.5	-60.5	88.1	0	0	0	112.5	G303 K304 L310 T357	G303-N306 PolarHBondContact O-N 2.72Å; K304-N306 VanDerWaalsContact C-N 3.29Å; K304-N306 PolarHBondContact O-N 3.16Å; N306-L310 WeakPolarHBondContact O-CA 3.47Å; N306-L310 PolarHBondContact O-N 3.05Å; N306-T357 PolarHBondContact ND2-O 2.77Å; N306-T357 VanDerWaalsContact ND2-O 3.14Å
307	L	98.6	Very high	96.2	Very high	2 Å²	2	25.1 Å²	25.1	1%	0.01	17%	0.171	C	C	.	.	H	α-helix	trans	-76	-40.6	179.5	-171.1	63.5	0	0	0	111.8	L280 L282 A296 F298 G303 K304 M309 L310 N547 L551	L280-L307 HydrophobicContact CD2-CB 3.92Å; L280-L307 HydrophobicContact CD2-CD2 4.19Å; L280-L307 HydrophobicContact CD2-CG 4.31Å; L282-L307 HydrophobicContact CD2-CG 3.94Å; L282-L307 WeakPolarHBondContact CD2-O 3.1Å; A296-L307 HydrophobicContact CB-CD2 4.33Å; F298-L307 HydrophobicContact CE2-CB 4.47Å; F298-L307 HydrophobicContact CE2-CD2 3.6Å; F298-L307 HydrophobicContact CZ-CD2 3.81Å; G303-L307 PolarHBondContact O-N 3.11Å; K304-L307 PolarHBondContact O-N 3.03Å; L307-M309 PolarHBondContact O-N 2.93Å; L307-L310 HydrophobicContact CD1-CD1 3.75Å; L307-L310 VanDerWaalsContact O-CB 3.24Å; L307-L310 WeakPolarHBondContact O-CB 3.34Å; L307-L310 PolarHBondContact O-N 2.95Å; L307-N547 HydrophobicContact CD1-CB 4.17Å; L307-L551 HydrophobicContact CD1-CD1 3.96Å; L307-L551 HydrophobicContact CD1-CG 4.45Å
308	A	98.8	Very high	96.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-63.4	-32.8	178.7	0	0	0	0	0	112.4	L280 K304 C321 D324	L280-A308 HydrophobicContact CB-CB 3.97Å; L280-A308 HydrophobicContact CD1-CB 4.4Å; L280-A308 HydrophobicContact CD2-CB 4.27Å; L280-A308 HydrophobicContact CG-CB 4.45Å; K304-A308 WeakPolarHBondContact O-CB 3.4Å; K304-A308 PolarHBondContact O-N 3.2Å; A308-C321 VanDerWaalsContact O-CB 3.29Å; A308-C321 WeakPolarHBondContact O-CB 3.46Å; A308-D324 HydrophobicContact CB-CB 3.97Å
309	M	98.5	Very high	96.2	Very high	1 Å²	1	30 Å²	30	1%	0.005	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.1	28.2	179.2	-57.3	178.6	-177.8	0	0	112.6	T305 L307 C311 C321 F346 N360 A361 I429	T305-M309 HydrophobicContact CG2-CE 4.18Å; T305-M309 HydrophobicContact CG2-SD 4.07Å; T305-M309 WeakPolarHBondContact O-CB 3.27Å; T305-M309 PolarHBondContact O-N 2.86Å; T305-M309 VanDerWaalsContact O-N 3.11Å; L307-M309 PolarHBondContact O-N 2.93Å; M309-C311 PolarHBondContact O-N 2.95Å; M309-C321 HydrophobicContact CG-CB 4.34Å; M309-F346 HydrophobicContact CE-CB 4.27Å; M309-F346 HydrophobicContact CE-CD1 3.57Å; M309-F346 HydrophobicContact CE-CD2 3.25Å; M309-F346 HydrophobicContact CE-CE1 3.56Å; M309-F346 HydrophobicContact CE-CE2 3.24Å; M309-F346 HydrophobicContact CE-CG 3.41Å; M309-F346 VanDerWaalsContact CE-CG 3.41Å; M309-F346 HydrophobicContact CE-CZ 3.4Å; M309-N360 HydrophobicContact CB-CB 4.06Å; M309-N360 PolarHBondContact O-ND2 3.35Å; M309-A361 HydrophobicContact SD-CB 4.04Å; M309-I429 HydrophobicContact CB-CD1 4.26Å
310	L	98.3	Very high	96.4	Very high	4 Å²	4	30.5 Å²	30.5	2%	0.021	19%	0.194	C	C	.	.			trans	-59.1	134.3	-173.1	-178.8	146.1	0	0	0	111.3	N306 L307 P312 V319 F544 N547 I548	N306-L310 WeakPolarHBondContact O-CA 3.47Å; N306-L310 PolarHBondContact O-N 3.05Å; L307-L310 HydrophobicContact CD1-CD1 3.75Å; L307-L310 VanDerWaalsContact O-CB 3.24Å; L307-L310 WeakPolarHBondContact O-CB 3.34Å; L307-L310 PolarHBondContact O-N 2.95Å; L310-P312 HydrophobicContact CD2-CB 4.18Å; L310-P312 HydrophobicContact CD2-CG 3.78Å; L310-P312 WeakPolarHBondContact O-CD 3.39Å; L310-V319 HydrophobicContact CB-CB 4.49Å; L310-V319 HydrophobicContact CB-CG1 4.26Å; L310-V319 HydrophobicContact CB-CG2 4.49Å; L310-V319 HydrophobicContact CD2-CG2 3.91Å; L310-F544 WeakPolarHBondContact CD1-O 3.19Å; L310-N547 HydrophobicContact CD1-CB 3.77Å; L310-I548 HydrophobicContact CD2-CB 4.02Å; L310-I548 HydrophobicContact CD2-CD1 4.27Å
311	C	97.9	Very high	96.9	Very high	64 Å²	64	29.8 Å²	29.8	43%	0.432	19%	0.189	S	C	.	.			trans	-96.8	108.1	167.5	-171.8	0	0	0	0	108.4	M309 T313 P359 G545	M309-C311 PolarHBondContact O-N 2.95Å; C311-T313 PolarHBondContact O-N 2.9Å; C311-P359 HydrophobicContact CB-CG 3.84Å; C311-G545 WeakPolarHBondContact O-CA 3.48Å
312	P	97.5	Very high	97.6	Very high	34 Å²	34	28 Å²	28	22%	0.221	18%	0.175	C	C	.	.			trans	-62.4	133	-174.6	-26.4	37.8	0	0	0	113.1	L310 W317 V319 I548	L310-P312 HydrophobicContact CD2-CB 4.18Å; L310-P312 HydrophobicContact CD2-CG 3.78Å; L310-P312 WeakPolarHBondContact O-CD 3.39Å; P312-W317 HydrophobicContact CB-CB 4.08Å; P312-W317 HydrophobicContact CG-CB 4.4Å; P312-V319 HydrophobicContact CG-CB 4.47Å; P312-V319 HydrophobicContact CG-CG2 4.06Å; P312-I548 HydrophobicContact CB-CB 4.21Å; P312-I548 HydrophobicContact CB-CD1 4.21Å; P312-I548 HydrophobicContact CB-CG1 3.94Å; P312-I548 HydrophobicContact CB-CG2 4.39Å; P312-I548 HydrophobicContact CG-CD1 4.17Å; P312-I548 HydrophobicContact CG-CG1 4.46Å
313	T	97.1	Very high	97.9	Very high	68 Å²	68	28 Å²	28	42%	0.417	17%	0.174	S	C	.	.	S	Bend	trans	-81.7	-21.3	168.2	55.1	0	0	0	0	112.7	C311 G545 D546	C311-T313 PolarHBondContact O-N 2.9Å; T313-G545 PolarHBondContact N-O 3.47Å; T313-G545 PolarHBondContact OG1-O 3.17Å; T313-D546 WeakPolarHBondContact OG1-CA 3.47Å; T313-D546 PolarHBondContact OG1-OD1 2.96Å
314	L	96.6	Very high	98.1	Very high	6 Å²	6	27.3 Å²	27.3	3%	0.031	17%	0.167	C	C	.	.	S	Bend	trans	-81.5	124.8	175.8	-74.8	-176.2	0	0	0	111	W317 I548 R549 N579	L314-W317 HydrophobicContact CB-CG 4.37Å; L314-I548 HydrophobicContact CB-CG1 4.49Å; L314-I548 HydrophobicContact CB-CG2 3.84Å; L314-I548 HydrophobicContact CD1-CG2 4.04Å; L314-I548 HydrophobicContact CG-CG2 3.74Å; L314-R549 HydrophobicContact CD1-CG 3.82Å; L314-R549 HydrophobicContact CD2-CG 4.45Å; L314-R549 HydrophobicContact CG-CG 4Å; L314-N579 HydrophobicContact CD1-CB 4.17Å
315	P	96.4	Very high	98.1	Very high	107 Å²	107	27.5 Å²	27.5	70%	0.695	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.2	146.7	176.2	-24.2	34.2	0	0	0	113	W317	P315-W317 PolarHBondContact O-N 2.8Å
316	G	97.3	Very high	98.2	Very high	55 Å²	55	26.3 Å²	26.3	57%	0.567	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.7	-13.5	177	0	0	0	0	0	115.1	P287	P287-G316 WeakPolarHBondContact CA-O 3.46Å
317	W	98.5	Very high	98.3	Very high	31 Å²	31	24.4 Å²	24.4	12%	0.117	15%	0.151	C	C	.	.			trans	-83	141.8	171.1	-72.8	85.2	0	0	0	111.2	I284 T285 N286 P312 L314 P315 I548 D552 F555	I284-W317 HydrophobicContact CD1-CE3 3.51Å; I284-W317 HydrophobicContact CD1-CZ3 3.47Å; I284-W317 VanDerWaalsContact CD1-CZ3 3.47Å; I284-W317 HydrophobicContact CG1-CE3 3.56Å; I284-W317 HydrophobicContact CG1-CZ3 3.64Å; T285-W317 WeakPolarHBondContact O-CA 3.48Å; N286-W317 HydrophobicContact CB-CE3 4.16Å; N286-W317 HydrophobicContact CB-CH2 3.59Å; N286-W317 HydrophobicContact CB-CZ2 4.03Å; N286-W317 HydrophobicContact CB-CZ3 3.66Å; P312-W317 HydrophobicContact CB-CB 4.08Å; P312-W317 HydrophobicContact CG-CB 4.4Å; L314-W317 HydrophobicContact CB-CG 4.37Å; P315-W317 PolarHBondContact O-N 2.8Å; W317-I548 HydrophobicContact CB-CD1 3.89Å; W317-I548 HydrophobicContact CB-CG1 3.8Å; W317-I548 HydrophobicContact CD2-CD1 4.22Å; W317-I548 HydrophobicContact CD2-CG1 4.22Å; W317-I548 HydrophobicContact CE3-CD1 4.09Å; W317-I548 HydrophobicContact CG-CD1 4.17Å; W317-I548 HydrophobicContact CG-CG1 3.9Å; W317-D552 HydrophobicContact CH2-CB 3.87Å; W317-D552 HydrophobicContact CZ2-CB 3.5Å; W317-D552 WeakPolarHBondContact CZ2-OD1 3.46Å; W317-F555 HydrophobicContact CH2-CB 3.94Å; W317-F555 HydrophobicContact CH2-CD1 4.32Å; W317-F555 HydrophobicContact CH2-CD2 4.21Å; W317-F555 AromaticContact CH2-CG 3.91Å; W317-F555 HydrophobicContact CH2-CG 3.91Å; W317-F555 HydrophobicContact CZ3-CB 4.2Å; W317-F555 AromaticContact CZ3-CD2 3.84Å; W317-F555 HydrophobicContact CZ3-CD2 3.84Å; W317-F555 HydrophobicContact CZ3-CE2 4.41Å; W317-F555 HydrophobicContact CZ3-CG 4.01Å
318	K	98.7	Very high	98.3	Very high	101 Å²	101	24.3 Å²	24.3	44%	0.439	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	138.3	174	-175.2	-174.5	176.3	-159.6	0	109.6	I284 T285 E320	I284-K318 CarbonylContact C-O 3.47Å; I284-K318 WeakPolarHBondContact CA-O 3.49Å; T285-K318 PolarHBondContact N-O 3.49Å; T285-K318 PolarHBondContact O-N 2.81Å; K318-E320 HydrophobicContact CD-CG 4.27Å; K318-E320 VanDerWaalsContact CE-OE1 3.31Å; K318-E320 WeakPolarHBondContact CE-OE1 3.47Å; K318-E320 HydrophobicContact CG-CG 4.3Å; K318-E320 IonicContact NZ-OE1 3.65Å; K318-E320 PolarHBondContact NZ-OE1 2.83Å; K318-E320 IonicContact NZ-OE2 2.87Å
319	V	98.9	Very high	98.3	Very high	3 Å²	3	24.3 Å²	24.3	2%	0.018	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	137.8	170.7	174.5	0	0	0	0	108.7	L282 G283 I284 L310 P312 I548	L282-V319 HydrophobicContact CB-CG1 4.29Å; L282-V319 HydrophobicContact CD1-CG1 4.5Å; L282-V319 HydrophobicContact CD2-CG1 4.45Å; G283-V319 CarbonylContact O-C 3.43Å; G283-V319 WeakPolarHBondContact O-CA 3.4Å; I284-V319 HydrophobicContact CG1-CG2 4.37Å; L310-V319 HydrophobicContact CB-CB 4.49Å; L310-V319 HydrophobicContact CB-CG1 4.26Å; L310-V319 HydrophobicContact CB-CG2 4.49Å; L310-V319 HydrophobicContact CD2-CG2 3.91Å; P312-V319 HydrophobicContact CG-CB 4.47Å; P312-V319 HydrophobicContact CG-CG2 4.06Å; V319-I548 HydrophobicContact CG2-CD1 3.87Å
320	E	98.9	Very high	98.3	Very high	16 Å²	16	28.1 Å²	28.1	8%	0.075	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	139.4	179.2	-67.4	174.6	114.4	0	0	109.9	L282 G283 K291 K318 I429 D431 P432	L282-E320 CarbonylContact C-O 3.22Å; L282-E320 VanDerWaalsContact CA-O 3.3Å; L282-E320 WeakPolarHBondContact CA-O 3.42Å; G283-E320 PolarHBondContact N-O 3Å; G283-E320 PolarHBondContact O-N 2.94Å; K291-E320 WeakPolarHBondContact CE-OE2 3.38Å; K291-E320 IonicContact NZ-OE2 3.96Å; K291-E320 PolarHBondContact NZ-OE2 3.1Å; K318-E320 HydrophobicContact CD-CG 4.27Å; K318-E320 VanDerWaalsContact CE-OE1 3.31Å; K318-E320 WeakPolarHBondContact CE-OE1 3.47Å; K318-E320 HydrophobicContact CG-CG 4.3Å; K318-E320 IonicContact NZ-OE1 3.65Å; K318-E320 PolarHBondContact NZ-OE1 2.83Å; K318-E320 IonicContact NZ-OE2 2.87Å; E320-I429 CarbonylContact C-O 3.57Å; E320-I429 WeakPolarHBondContact CA-O 3.44Å; E320-D431 HydrophobicContact CB-CB 3.95Å; E320-D431 WeakPolarHBondContact CB-OD2 3.45Å; E320-P432 WeakPolarHBondContact OE1-CD 3.49Å
321	C	98.9	Very high	98.3	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	123.9	-174.4	-173.8	0	0	0	0	110.9	A308 M309 I429 I430 D431	A308-C321 VanDerWaalsContact O-CB 3.29Å; A308-C321 WeakPolarHBondContact O-CB 3.46Å; M309-C321 HydrophobicContact CG-CB 4.34Å; C321-I429 PolarHBondContact N-O 3.28Å; C321-I430 VanDerWaalsContact O-CD1 3.29Å; C321-I430 WeakPolarHBondContact O-CD1 3.14Å; C321-D431 WeakPolarHBondContact O-CB 3.3Å; C321-D431 PolarHBondContact O-N 2.63Å
322	V	98.9	Very high	98.3	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.006	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	-42.7	166.7	169.1	0	0	0	0	110	I281 Y293 N341 D431 V440	I281-V322 HydrophobicContact CB-CB 3.8Å; I281-V322 HydrophobicContact CB-CG1 3.93Å; I281-V322 HydrophobicContact CD1-CG1 4.1Å; I281-V322 HydrophobicContact CG2-CB 3.68Å; I281-V322 HydrophobicContact CG2-CG1 3.84Å; I281-V322 HydrophobicContact CG2-CG2 4.08Å; I281-V322 PolarHBondContact O-N 3.11Å; Y293-V322 HydrophobicContact CD1-CG2 4.18Å; Y293-V322 HydrophobicContact CE1-CG2 3.85Å; V322-N341 HydrophobicContact CG1-CB 4.07Å; V322-N341 VanDerWaalsContact O-CB 3.29Å; V322-N341 WeakPolarHBondContact O-CB 3.31Å; V322-N341 PolarHBondContact O-ND2 2.97Å; V322-D431 HydrophobicContact CG2-CB 3.55Å; V322-V440 HydrophobicContact CG2-CG1 4.32Å; V322-V440 HydrophobicContact CG2-CG2 4.4Å
323	G	98.8	Very high	98.3	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.1	157.4	175.9	0	0	0	0	0	111.8	L280 I281 N341	L280-G323 CarbonylContact C-O 3.59Å; L280-G323 WeakPolarHBondContact CA-O 3.46Å; L280-G323 WeakPolarHBondContact CB-O 3.38Å; I281-G323 PolarHBondContact N-O 3.48Å; I281-G323 PolarHBondContact O-N 2.77Å; I281-G323 VanDerWaalsContact O-N 3.12Å; I281-G323 VanDerWaalsContact O-O 3.08Å; G323-N341 WeakPolarHBondContact CA-ND2 3.25Å
324	D	98.6	Very high	98.3	Very high	4 Å²	4	36.2 Å²	36.2	2%	0.021	20%	0.196	C	C	.	.	S	Bend	trans	-111.1	-7.7	-171.2	86.5	-38.9	0	0	0	115.2	K304 T305 A308 F346	K304-D324 VanDerWaalsContact CB-O 3.24Å; K304-D324 WeakPolarHBondContact CB-O 3.31Å; T305-D324 WeakPolarHBondContact CB-OD2 3.16Å; T305-D324 HydrophobicContact CG2-CB 4.4Å; T305-D324 WeakPolarHBondContact CG2-OD2 3.25Å; T305-D324 PolarHBondContact OG1-OD2 2.83Å; A308-D324 HydrophobicContact CB-CB 3.97Å; D324-F346 HydrophobicContact CB-CD1 3.89Å; D324-F346 HydrophobicContact CB-CE1 4.12Å; D324-F346 WeakPolarHBondContact OD1-CD1 3.26Å
325	D	98.6	Very high	98.4	Very high	16 Å²	16	36.1 Å²	36.1	9%	0.086	20%	0.197	C	C	.	.	S	Bend	trans	-144.8	-35.8	-167.1	-173.6	60	0	0	0	115.5	K257 K258 H278 M279 K304	K257-D325 VanDerWaalsContact CE-OD2 3.27Å; K257-D325 WeakPolarHBondContact CE-OD2 3.3Å; K257-D325 IonicContact NZ-OD2 3.88Å; K257-D325 PolarHBondContact NZ-OD2 2.77Å; K258-D325 VanDerWaalsContact CE-OD2 3.28Å; K258-D325 WeakPolarHBondContact CE-OD2 3.49Å; K258-D325 IonicContact NZ-OD1 3.29Å; K258-D325 PolarHBondContact NZ-OD1 3.06Å; K258-D325 IonicContact NZ-OD2 2.75Å; K258-D325 PolarHBondContact NZ-OD2 3.49Å; H278-D325 CarbonylContact C-O 3.57Å; H278-D325 VanDerWaalsContact C-O 3.26Å; H278-D325 WeakPolarHBondContact CA-O 3.29Å; H278-D325 PolarHBondContact CD2-O 2.77Å; H278-D325 VanDerWaalsContact CD2-O 3.23Å; H278-D325 IonicContact CD2-OD1 2.67Å; H278-D325 PolarHBondContact CD2-OD1 3.14Å; H278-D325 VanDerWaalsContact CD2-OD1 3.23Å; H278-D325 IonicContact NE2-OD1 3.18Å; H278-D325 PolarHBondContact NE2-OD1 2.84Å; M279-D325 PolarHBondContact N-O 3.32Å; M279-D325 CarbonylContact O-C 3.5Å; K304-D325 IonicContact NZ-OD1 2.78Å
326	I	98.9	Very high	98.5	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.172	C	C	.	.			trans	-130.8	137.6	-177.7	-53.7	178.5	0	0	0	110.7	K257 A261 L262 E277 M279 P342 E343	K257-I326 HydrophobicContact CG-CD1 4.11Å; K257-I326 VanDerWaalsContact O-CD1 3.3Å; K257-I326 WeakPolarHBondContact O-CD1 3.4Å; A261-I326 HydrophobicContact CB-CD1 3.87Å; A261-I326 HydrophobicContact CB-CG2 4.11Å; L262-I326 HydrophobicContact CD2-CG1 4.27Å; L262-I326 HydrophobicContact CD2-CG2 3.85Å; L262-I326 HydrophobicContact CG-CD1 4.2Å; L262-I326 HydrophobicContact CG-CG1 4.32Å; L262-I326 HydrophobicContact CG-CG2 4.49Å; E277-I326 WeakPolarHBondContact O-CA 3.37Å; M279-I326 CarbonylContact O-C 3.57Å; M279-I326 WeakPolarHBondContact O-CA 3.44Å; M279-I326 PolarHBondContact O-N 3.48Å; I326-P342 HydrophobicContact CB-CG 3.91Å; I326-P342 HydrophobicContact CG2-CG 3.44Å; I326-P342 VanDerWaalsContact CG2-CG 3.44Å; I326-P342 WeakPolarHBondContact O-CD 3.38Å; I326-E343 HydrophobicContact CB-CG 4.49Å; I326-E343 HydrophobicContact CD1-CG 4.24Å
327	A	98.9	Very high	98.6	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	130.6	172.6	0	0	0	0	0	110.5	E277 M279 I281 M329	E277-A327 PolarHBondContact N-O 2.99Å; E277-A327 PolarHBondContact O-N 3.38Å; M279-A327 HydrophobicContact CB-CB 3.84Å; M279-A327 PolarHBondContact O-N 3.22Å; I281-A327 HydrophobicContact CD1-CB 3.7Å; I281-A327 HydrophobicContact CG1-CB 3.74Å; A327-M329 HydrophobicContact CB-CG 4.09Å; A327-M329 HydrophobicContact CB-SD 4.38Å
328	W	98.9	Very high	98.6	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	121.8	164.9	-71.3	-3.9	0	0	0	109	M160 L167 K169 F260 A261 A265 W274 L275 A339 I340 P342	M160-W328 HydrophobicContact CB-CH2 3.44Å; M160-W328 VanDerWaalsContact CB-CH2 3.44Å; M160-W328 HydrophobicContact CB-CZ2 4.13Å; M160-W328 HydrophobicContact CB-CZ3 3.96Å; M160-W328 HydrophobicContact CG-CH2 4.31Å; L167-W328 VanDerWaalsContact O-CZ3 3.25Å; L167-W328 WeakPolarHBondContact O-CZ3 3.48Å; K169-W328 HydrophobicContact CB-CH2 3.82Å; K169-W328 HydrophobicContact CB-CZ3 3.98Å; K169-W328 HydrophobicContact CG-CH2 3.82Å; K169-W328 HydrophobicContact CG-CZ3 3.72Å; F260-W328 HydrophobicContact CE2-CH2 4.41Å; F260-W328 HydrophobicContact CZ-CH2 4.49Å; A261-W328 HydrophobicContact CB-CZ2 3.78Å; A261-W328 PolarHBondContact O-NE1 3.07Å; A265-W328 HydrophobicContact CB-CZ2 3.72Å; W274-W328 HydrophobicContact CE3-CB 4.29Å; W274-W328 HydrophobicContact CE3-CG 4.42Å; W274-W328 AromaticContact CH2-CD2 3.97Å; W274-W328 HydrophobicContact CH2-CD2 3.97Å; W274-W328 HydrophobicContact CH2-CE3 4.39Å; W274-W328 HydrophobicContact CH2-CG 4.18Å; W274-W328 HydrophobicContact CZ3-CB 3.86Å; W274-W328 AromaticContact CZ3-CD1 3.72Å; W274-W328 AromaticContact CZ3-CD2 3.81Å; W274-W328 HydrophobicContact CZ3-CD2 3.81Å; W274-W328 HydrophobicContact CZ3-CE3 4.46Å; W274-W328 AromaticContact CZ3-CG 3.53Å; W274-W328 HydrophobicContact CZ3-CG 3.53Å; L275-W328 CarbonylContact O-C 3.52Å; L275-W328 WeakPolarHBondContact O-CA 3.29Å; W328-A339 VanDerWaalsContact O-CA 3.29Å; W328-A339 WeakPolarHBondContact O-CA 3.42Å; W328-I340 HydrophobicContact CB-CG1 3.99Å; W328-I340 HydrophobicContact CE3-CD1 4.14Å; W328-I340 PolarHBondContact N-O 3.02Å; W328-I340 PolarHBondContact O-N 2.92Å; W328-P342 HydrophobicContact CD2-CB 3.92Å; W328-P342 HydrophobicContact CD2-CG 4.12Å; W328-P342 HydrophobicContact CE3-CB 4.07Å; W328-P342 HydrophobicContact CG-CB 4.43Å; W328-P342 HydrophobicContact CG-CG 4.18Å; W328-P342 HydrophobicContact CH2-CB 4.35Å; W328-P342 HydrophobicContact CZ2-CB 4.21Å; W328-P342 HydrophobicContact CZ3-CB 4.27Å
329	M	98.9	Very high	98.6	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	132.3	-168.9	-49.7	-177.1	-76.3	0	0	112.4	W274 L275 E277 M279 A295 A327 L337 R338 A339 I442	W274-M329 CarbonylContact C-O 3.49Å; W274-M329 WeakPolarHBondContact CB-O 3.31Å; L275-M329 HydrophobicContact CB-CB 4.3Å; L275-M329 HydrophobicContact CB-CE 4.13Å; L275-M329 HydrophobicContact CD1-CE 4.09Å; L275-M329 PolarHBondContact N-O 2.7Å; L275-M329 PolarHBondContact O-N 2.85Å; E277-M329 HydrophobicContact CB-CE 4.12Å; E277-M329 HydrophobicContact CG-CE 3.58Å; M279-M329 HydrophobicContact SD-CE 3.72Å; M279-M329 HydrophobicContact SD-SD 4.42Å; A295-M329 HydrophobicContact CB-SD 4.31Å; A327-M329 HydrophobicContact CB-CG 4.09Å; A327-M329 HydrophobicContact CB-SD 4.38Å; M329-L337 HydrophobicContact CB-CD1 3.73Å; M329-L337 HydrophobicContact CB-CD2 4.4Å; M329-L337 HydrophobicContact CB-CG 4.02Å; M329-L337 HydrophobicContact SD-CD2 4.06Å; M329-L337 HydrophobicContact SD-CG 4.49Å; M329-R338 CarbonylContact C-O 3.52Å; M329-R338 WeakPolarHBondContact CA-O 3.37Å; M329-A339 HydrophobicContact CG-CB 3.75Å; M329-A339 HydrophobicContact SD-CB 4.46Å; M329-I442 HydrophobicContact SD-CG1 4.32Å
330	K	98.8	Very high	98.6	Very high	81 Å²	81	26.7 Å²	26.7	35%	0.352	13%	0.13	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	136.9	178.9	-171.3	171.1	-176.4	173.5	0	110.6	L167 W274 D332 R338	L167-K330 HydrophobicContact CD2-CB 3.71Å; L167-K330 HydrophobicContact CD2-CD 3.75Å; L167-K330 HydrophobicContact CD2-CG 4.36Å; W274-K330 HydrophobicContact CB-CB 3.8Å; W274-K330 HydrophobicContact CB-CD 4.08Å; W274-K330 HydrophobicContact CB-CG 3.86Å; K330-D332 PolarHBondContact O-N 2.58Å; K330-R338 PolarHBondContact N-O 2.98Å; K330-R338 WeakPolarHBondContact O-CB 3.21Å; K330-R338 PolarHBondContact O-N 2.93Å
331	F	98.7	Very high	98.6	Very high	19 Å²	19	26 Å²	26	8%	0.083	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	127.7	170.7	-73.9	-77.7	0	0	0	110.4	G335 N336 L337 M514 A520 L522	F331-G335 VanDerWaalsContact CD1-O 3.27Å; F331-G335 WeakPolarHBondContact CD1-O 3.2Å; F331-N336 CarbonylContact C-O 3.5Å; F331-N336 WeakPolarHBondContact CA-O 3.28Å; F331-L337 HydrophobicContact CD1-CB 4.11Å; F331-L337 HydrophobicContact CD1-CD1 4.38Å; F331-L337 HydrophobicContact CD2-CD1 3.99Å; F331-L337 HydrophobicContact CE1-CB 3.77Å; F331-L337 HydrophobicContact CE1-CD1 4.3Å; F331-L337 HydrophobicContact CE2-CD1 3.88Å; F331-L337 HydrophobicContact CG-CD1 4.25Å; F331-L337 HydrophobicContact CZ-CB 4.13Å; F331-L337 HydrophobicContact CZ-CD1 4.04Å; F331-L337 HydrophobicContact CZ-CG 4.48Å; F331-M514 HydrophobicContact CD2-SD 4.17Å; F331-M514 HydrophobicContact CE2-CB 4.02Å; F331-M514 HydrophobicContact CE2-CG 4.3Å; F331-M514 HydrophobicContact CE2-SD 3.99Å; F331-A520 HydrophobicContact CD1-CB 4.14Å; F331-A520 HydrophobicContact CE1-CB 3.93Å; F331-A520 HydrophobicContact CZ-CB 4.25Å; F331-L522 HydrophobicContact CZ-CD2 3.86Å
332	D	97.9	Very high	98.6	Very high	34 Å²	34	26 Å²	26	18%	0.182	13%	0.127	C	C	.	.			trans	-81.2	177.7	173.2	70.1	18.9	0	0	0	112.1	K330 Q334 G335 N336 R338	K330-D332 PolarHBondContact O-N 2.58Å; D332-Q334 PolarHBondContact O-N 2.98Å; D332-Q334 VanDerWaalsContact OD1-C 3.25Å; D332-Q334 VanDerWaalsContact OD1-CA 3.3Å; D332-Q334 WeakPolarHBondContact OD1-CA 3.26Å; D332-Q334 WeakPolarHBondContact OD1-CB 3.27Å; D332-Q334 PolarHBondContact OD1-N 3.17Å; D332-G335 PolarHBondContact O-N 2.89Å; D332-G335 PolarHBondContact OD1-N 3.18Å; D332-N336 PolarHBondContact N-O 3.23Å; D332-N336 PolarHBondContact OD1-N 3.4Å; D332-N336 PolarHBondContact OD1-ND2 2.88Å; D332-N336 PolarHBondContact OD2-ND2 2.93Å; D332-R338 HydrophobicContact CB-CG 3.86Å; D332-R338 IonicContact OD2-CZ 2.76Å; D332-R338 IonicContact OD2-NE 2.7Å; D332-R338 PolarHBondContact OD2-NE 3.17Å; D332-R338 IonicContact OD2-NH2 3.51Å; D332-R338 PolarHBondContact OD2-NH2 2.81Å
333	N	96.9	Very high	98.6	Very high	165 Å²	165	26 Å²	26	88%	0.882	13%	0.127	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-14.6	180	-66.1	-16.5	0	0	0	113.4
334	Q	97.8	Very high	98.6	Very high	121 Å²	121	27.4 Å²	27.4	57%	0.565	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.3	6.1	174.7	-63.9	76.9	31.6	0	0	111.8	D332 N336 K521	D332-Q334 PolarHBondContact O-N 2.98Å; D332-Q334 VanDerWaalsContact OD1-C 3.25Å; D332-Q334 VanDerWaalsContact OD1-CA 3.3Å; D332-Q334 WeakPolarHBondContact OD1-CA 3.26Å; D332-Q334 WeakPolarHBondContact OD1-CB 3.27Å; D332-Q334 PolarHBondContact OD1-N 3.17Å; Q334-N336 VanDerWaalsContact C-N 3.29Å; Q334-N336 WeakPolarHBondContact CB-ND2 3.46Å; Q334-N336 PolarHBondContact O-N 2.85Å; Q334-K521 VanDerWaalsContact O-CE 3.31Å; Q334-K521 WeakPolarHBondContact O-CE 3.43Å
335	G	98.2	Very high	98.6	Very high	4 Å²	4	27.2 Å²	27.2	4%	0.041	13%	0.133	C	C	.	.	S	Bend	trans	75.8	9.1	179.2	0	0	0	0	0	114.6	F331 D332 G519 K521	F331-G335 VanDerWaalsContact CD1-O 3.27Å; F331-G335 WeakPolarHBondContact CD1-O 3.2Å; D332-G335 PolarHBondContact O-N 2.89Å; D332-G335 PolarHBondContact OD1-N 3.18Å; G335-G519 WeakPolarHBondContact CA-O 3.4Å; G335-K521 WeakPolarHBondContact O-CB 3.38Å; G335-K521 PolarHBondContact O-N 3.12Å
336	N	98.7	Very high	98.6	Very high	32 Å²	32	26.5 Å²	26.5	17%	0.171	13%	0.129	C	C	.	.	B	Isolated β-bridge	trans	-80	138.1	174.9	-40.9	-69.2	0	0	0	109.5	F331 D332 Q334 R338 P441 K521	F331-N336 CarbonylContact C-O 3.5Å; F331-N336 WeakPolarHBondContact CA-O 3.28Å; D332-N336 PolarHBondContact N-O 3.23Å; D332-N336 PolarHBondContact OD1-N 3.4Å; D332-N336 PolarHBondContact OD1-ND2 2.88Å; D332-N336 PolarHBondContact OD2-ND2 2.93Å; Q334-N336 VanDerWaalsContact C-N 3.29Å; Q334-N336 WeakPolarHBondContact CB-ND2 3.46Å; Q334-N336 PolarHBondContact O-N 2.85Å; N336-R338 PolarHBondContact O-N 2.79Å; N336-R338 VanDerWaalsContact O-N 3.15Å; N336-P441 HydrophobicContact CB-CB 4.28Å; N336-K521 WeakPolarHBondContact OD1-CD 3.17Å; N336-K521 PolarHBondContact OD1-NZ 3.11Å
337	L	98.8	Very high	98.6	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.01	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	99.8	172.2	-175.5	61.7	0	0	0	109.5	M329 F331 I442 I445 P523	M329-L337 HydrophobicContact CB-CD1 3.73Å; M329-L337 HydrophobicContact CB-CD2 4.4Å; M329-L337 HydrophobicContact CB-CG 4.02Å; M329-L337 HydrophobicContact SD-CD2 4.06Å; M329-L337 HydrophobicContact SD-CG 4.49Å; F331-L337 HydrophobicContact CD1-CB 4.11Å; F331-L337 HydrophobicContact CD1-CD1 4.38Å; F331-L337 HydrophobicContact CD2-CD1 3.99Å; F331-L337 HydrophobicContact CE1-CB 3.77Å; F331-L337 HydrophobicContact CE1-CD1 4.3Å; F331-L337 HydrophobicContact CE2-CD1 3.88Å; F331-L337 HydrophobicContact CG-CD1 4.25Å; F331-L337 HydrophobicContact CZ-CB 4.13Å; F331-L337 HydrophobicContact CZ-CD1 4.04Å; F331-L337 HydrophobicContact CZ-CG 4.48Å; L337-I442 HydrophobicContact CB-CB 4.4Å; L337-I442 HydrophobicContact CD2-CB 4.3Å; L337-I442 HydrophobicContact CD2-CG2 4.48Å; L337-I442 HydrophobicContact CG-CB 4.4Å; L337-I442 PolarHBondContact O-N 2.79Å; L337-I445 HydrophobicContact CD2-CD1 4.21Å; L337-P523 HydrophobicContact CD2-CG 3.91Å
338	R	98.8	Very high	98.4	Very high	62 Å²	62	27 Å²	27	23%	0.234	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	132.8	178.7	-65.4	-68	178.8	161.4	-0.5	110.9	M329 K330 D332 N336 E438 G439 V440	M329-R338 CarbonylContact C-O 3.52Å; M329-R338 WeakPolarHBondContact CA-O 3.37Å; K330-R338 PolarHBondContact N-O 2.98Å; K330-R338 WeakPolarHBondContact O-CB 3.21Å; K330-R338 PolarHBondContact O-N 2.93Å; D332-R338 HydrophobicContact CB-CG 3.86Å; D332-R338 IonicContact OD2-CZ 2.76Å; D332-R338 IonicContact OD2-NE 2.7Å; D332-R338 PolarHBondContact OD2-NE 3.17Å; D332-R338 IonicContact OD2-NH2 3.51Å; D332-R338 PolarHBondContact OD2-NH2 2.81Å; N336-R338 PolarHBondContact O-N 2.79Å; N336-R338 VanDerWaalsContact O-N 3.15Å; R338-E438 WeakPolarHBondContact CB-O 3.3Å; R338-G439 WeakPolarHBondContact CD-O 3.39Å; R338-G439 PolarHBondContact NH1-O 3.05Å; R338-G439 VanDerWaalsContact NH1-O 3.13Å; R338-V440 CarbonylContact C-O 3.57Å; R338-V440 WeakPolarHBondContact CA-O 3.38Å
339	A	98.9	Very high	98.2	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.008	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	139.1	177.6	0	0	0	0	0	112.3	I281 W328 M329 G439 V440 I442	I281-A339 HydrophobicContact CD1-CB 3.73Å; I281-A339 HydrophobicContact CG1-CB 4.34Å; W328-A339 VanDerWaalsContact O-CA 3.29Å; W328-A339 WeakPolarHBondContact O-CA 3.42Å; M329-A339 HydrophobicContact CG-CB 3.75Å; M329-A339 HydrophobicContact SD-CB 4.46Å; A339-G439 CarbonylContact O-C 3.58Å; A339-G439 WeakPolarHBondContact O-CA 3.27Å; A339-V440 HydrophobicContact CB-CG2 4.4Å; A339-V440 PolarHBondContact N-O 2.97Å; A339-V440 PolarHBondContact O-N 3.27Å; A339-I442 HydrophobicContact CB-CD1 3.68Å; A339-I442 HydrophobicContact CB-CG1 3.51Å
340	I	98.9	Very high	98	Very high	3 Å²	3	28.4 Å²	28.4	2%	0.015	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	151.5	164.4	60.9	158.8	0	0	0	110.1	L167 I281 W328 P342	L167-I340 HydrophobicContact CB-CD1 3.56Å; L167-I340 HydrophobicContact CB-CG1 3.92Å; L167-I340 HydrophobicContact CD1-CG1 4.09Å; L167-I340 HydrophobicContact CD1-CG2 3.97Å; I281-I340 WeakPolarHBondContact CD1-O 3.35Å; W328-I340 HydrophobicContact CB-CG1 3.99Å; W328-I340 HydrophobicContact CE3-CD1 4.14Å; W328-I340 PolarHBondContact N-O 3.02Å; W328-I340 PolarHBondContact O-N 2.92Å; I340-P342 WeakPolarHBondContact O-CD 3.3Å
341	N	98.8	Very high	97.8	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.133	C	C	.	.			trans	-84	113.9	160.6	174.8	14.7	0	0	0	108.2	V322 G323 E343	V322-N341 HydrophobicContact CG1-CB 4.07Å; V322-N341 VanDerWaalsContact O-CB 3.29Å; V322-N341 WeakPolarHBondContact O-CB 3.31Å; V322-N341 PolarHBondContact O-ND2 2.97Å; G323-N341 WeakPolarHBondContact CA-ND2 3.25Å; N341-E343 PolarHBondContact ND2-O 3.19Å; N341-E343 PolarHBondContact O-N 3.14Å; N341-E343 WeakPolarHBondContact OD1-CB 3.32Å; N341-E343 PolarHBondContact OD1-N 2.6Å
342	P	98.7	Very high	97.5	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.146	C	C	.	.			trans	-70.5	-17.7	177.5	27.9	-31.6	0	0	0	112.9	M160 G161 R189 A261 I326 W328 I340	M160-P342 CarbonylContact C-O 3.5Å; M160-P342 WeakPolarHBondContact CA-O 3.19Å; M160-P342 HydrophobicContact CB-CB 4.02Å; M160-P342 HydrophobicContact CE-CB 3.98Å; M160-P342 WeakPolarHBondContact CE-O 3.25Å; G161-P342 VanDerWaalsContact N-CA 3.32Å; G161-P342 PolarHBondContact N-O 2.87Å; R189-P342 PolarHBondContact NH1-O 2.79Å; A261-P342 HydrophobicContact CB-CB 4.49Å; A261-P342 HydrophobicContact CB-CG 4.17Å; I326-P342 HydrophobicContact CB-CG 3.91Å; I326-P342 HydrophobicContact CG2-CG 3.44Å; I326-P342 VanDerWaalsContact CG2-CG 3.44Å; I326-P342 WeakPolarHBondContact O-CD 3.38Å; W328-P342 HydrophobicContact CD2-CB 3.92Å; W328-P342 HydrophobicContact CD2-CG 4.12Å; W328-P342 HydrophobicContact CE3-CB 4.07Å; W328-P342 HydrophobicContact CG-CB 4.43Å; W328-P342 HydrophobicContact CG-CG 4.18Å; W328-P342 HydrophobicContact CH2-CB 4.35Å; W328-P342 HydrophobicContact CZ2-CB 4.21Å; W328-P342 HydrophobicContact CZ3-CB 4.27Å; I340-P342 WeakPolarHBondContact O-CD 3.3Å
343	E	98.8	Very high	97.4	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.005	14%	0.14	C	C	.	.			trans	-86.5	158.9	-177.7	-50.4	-165.4	85.5	0	0	112.5	M160 M187 R189 K257 I326 N341	M160-E343 HydrophobicContact CE-CG 4.34Å; M187-E343 HydrophobicContact CE-CB 4.46Å; M187-E343 WeakPolarHBondContact CE-OE1 3.17Å; R189-E343 VanDerWaalsContact NH1-C 3.26Å; R189-E343 PolarHBondContact NH1-O 2.82Å; K257-E343 WeakPolarHBondContact CD-OE1 3.49Å; K257-E343 VanDerWaalsContact CG-OE1 3.3Å; K257-E343 WeakPolarHBondContact CG-OE1 3.28Å; K257-E343 IonicContact NZ-OE1 3.14Å; K257-E343 PolarHBondContact NZ-OE1 2.85Å; K257-E343 IonicContact NZ-OE2 3.73Å; K257-E343 PolarHBondContact NZ-OE2 2.83Å; I326-E343 HydrophobicContact CB-CG 4.49Å; I326-E343 HydrophobicContact CD1-CG 4.24Å; N341-E343 PolarHBondContact ND2-O 3.19Å; N341-E343 PolarHBondContact O-N 3.14Å; N341-E343 WeakPolarHBondContact OD1-CB 3.32Å; N341-E343 PolarHBondContact OD1-N 2.6Å
344	N	98.8	Very high	97.3	Very high	31 Å²	31	18 Å²	18	17%	0.166	10%	0.101	C	C	.	.	S	Bend	trans	-110.6	-0.6	178.6	-164	37.5	0	0	0	113.2	V186 M187 T188 R189 A424 W434	V186-N344 CarbonylContact O-C 3.41Å; V186-N344 VanDerWaalsContact O-C 3.22Å; M187-N344 PolarHBondContact O-N 3.22Å; T188-N344 VanDerWaalsContact C-CB 3.41Å; T188-N344 PolarHBondContact O-ND2 3.05Å; T188-N344 VanDerWaalsContact O-ND2 3.1Å; R189-N344 PolarHBondContact NE-OD1 2.83Å; N344-A424 WeakPolarHBondContact O-CB 3.48Å; N344-A424 PolarHBondContact O-N 3.29Å; N344-W434 WeakPolarHBondContact OD1-CH2 3.39Å
345	G	98.8	Very high	97.1	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	176.8	-174	0	0	0	0	0	112	V186 M187 T422	V186-G345 PolarHBondContact O-N 2.97Å; M187-G345 WeakPolarHBondContact CE-O 3.42Å; G345-T422 CarbonylContact C-O 3.58Å; G345-T422 WeakPolarHBondContact CA-O 3.39Å
346	F	98.8	Very high	96.8	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	125.2	175.2	-51.6	-62.7	0	0	0	109.7	M309 D324 T364 F420 C421 T422 A424 C427 I430	M309-F346 HydrophobicContact CE-CB 4.27Å; M309-F346 HydrophobicContact CE-CD1 3.57Å; M309-F346 HydrophobicContact CE-CD2 3.25Å; M309-F346 HydrophobicContact CE-CE1 3.56Å; M309-F346 HydrophobicContact CE-CE2 3.24Å; M309-F346 HydrophobicContact CE-CG 3.41Å; M309-F346 VanDerWaalsContact CE-CG 3.41Å; M309-F346 HydrophobicContact CE-CZ 3.4Å; D324-F346 HydrophobicContact CB-CD1 3.89Å; D324-F346 HydrophobicContact CB-CE1 4.12Å; D324-F346 WeakPolarHBondContact OD1-CD1 3.26Å; F346-T364 HydrophobicContact CD2-CG2 4.43Å; F346-F420 HydrophobicContact CB-CE2 4.38Å; F346-C421 WeakPolarHBondContact O-CA 3.37Å; F346-T422 HydrophobicContact CB-CG2 3.95Å; F346-T422 HydrophobicContact CD2-CG2 4.03Å; F346-T422 PolarHBondContact N-O 3.29Å; F346-T422 PolarHBondContact O-N 3.39Å; F346-A424 HydrophobicContact CD2-CB 4.35Å; F346-A424 HydrophobicContact CE1-CB 4.28Å; F346-A424 VanDerWaalsContact CE2-CA 3.4Å; F346-A424 HydrophobicContact CE2-CB 3.75Å; F346-A424 HydrophobicContact CZ-CB 3.71Å; F346-C427 HydrophobicContact CE2-CB 3.8Å; F346-C427 HydrophobicContact CZ-CB 4.36Å; F346-I430 HydrophobicContact CZ-CD1 4.06Å
347	F	98	Very high	96.6	Very high	9 Å²	9	22.3 Å²	22.3	4%	0.039	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	61.7	172.7	-165.7	-112.7	0	0	0	109.6	M187 L254 K257 R419 F420 C421	M187-F347 HydrophobicContact CE-CB 3.77Å; M187-F347 HydrophobicContact SD-CB 3.89Å; L254-F347 HydrophobicContact CD1-CD2 4.43Å; L254-F347 HydrophobicContact CD1-CE2 4.41Å; K257-F347 HydrophobicContact CD-CB 4.27Å; F347-R419 HydrophobicContact CD1-CG 4.13Å; F347-R419 HydrophobicContact CD2-CB 4.31Å; F347-R419 HydrophobicContact CE1-CB 4.09Å; F347-R419 HydrophobicContact CE1-CG 3.55Å; F347-R419 HydrophobicContact CE2-CB 3.81Å; F347-R419 HydrophobicContact CE2-CG 4.21Å; F347-R419 HydrophobicContact CZ-CB 3.69Å; F347-R419 HydrophobicContact CZ-CG 3.6Å; F347-R419 PolarHBondContact O-NH1 3.36Å; F347-F420 CarbonylContact C-O 3.54Å; F347-F420 VanDerWaalsContact CA-O 3.29Å; F347-F420 WeakPolarHBondContact CA-O 3.48Å; F347-C421 HydrophobicContact CD2-CB 3.83Å; F347-C421 HydrophobicContact CE2-CB 4.14Å
348	G	95.1	Very high	96.5	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.01	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	151.8	-167.6	0	0	0	0	0	113.4	A350 R419 F420	G348-A350 PolarHBondContact O-N 3.45Å; G348-R419 VanDerWaalsContact O-CA 3.23Å; G348-R419 WeakPolarHBondContact O-CA 3.47Å; G348-R419 WeakPolarHBondContact O-CD 3.18Å; G348-F420 PolarHBondContact N-O 3.38Å; G348-F420 VanDerWaalsContact N-O 3.08Å; G348-F420 PolarHBondContact O-N 3.38Å; G348-F420 VanDerWaalsContact O-N 3.1Å
349	V	94.4	Very high	96.5	Very high	31 Å²	31	21.7 Å²	21.7	19%	0.188	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	125.8	170.5	175.9	0	0	0	0	108.3	T353 R419	V349-T353 PolarHBondContact O-OG1 2.76Å; V349-R419 VanDerWaalsContact CG2-CZ 3.43Å
350	A	95.8	Very high	96.5	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	14%	0.137	C	C	.	.			trans	-75.8	-53.6	-178.9	0	0	0	0	0	112.4	G348 G352 T353 V374 W384 S418 F420	G348-A350 PolarHBondContact O-N 3.45Å; A350-G352 PolarHBondContact O-N 3.4Å; A350-T353 WeakPolarHBondContact O-CB 3.3Å; A350-T353 PolarHBondContact O-N 3.34Å; A350-T353 PolarHBondContact O-OG1 3.38Å; A350-T353 VanDerWaalsContact O-OG1 3.08Å; A350-V374 HydrophobicContact CB-CG1 3.82Å; A350-W384 HydrophobicContact CB-CD2 3.82Å; A350-W384 HydrophobicContact CB-CE3 3.53Å; A350-W384 HydrophobicContact CB-CG 4.5Å; A350-W384 HydrophobicContact CB-CH2 4.17Å; A350-W384 HydrophobicContact CB-CZ2 4.45Å; A350-W384 HydrophobicContact CB-CZ3 3.71Å; A350-W384 VanDerWaalsContact O-CE2 3.23Å; A350-W384 PolarHBondContact O-NE1 2.78Å; A350-W384 VanDerWaalsContact O-NE1 3.12Å; A350-S418 PolarHBondContact N-O 3.07Å; A350-F420 HydrophobicContact CB-CD1 4.13Å
351	P	95.1	Very high	96.4	Very high	28 Å²	28	22.5 Å²	22.5	18%	0.182	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	135.5	-175.7	-25.2	37	0	0	0	112.9	T353 W384 H415 S418	P351-T353 VanDerWaalsContact C-N 3.31Å; P351-W384 HydrophobicContact CG-CB 4.39Å; P351-H415 WeakPolarHBondContact CG-O 3.24Å; P351-S418 VanDerWaalsContact CD-OG 3.22Å; P351-S418 WeakPolarHBondContact CD-OG 3.32Å; P351-S418 VanDerWaalsContact CG-OG 3.32Å; P351-S418 WeakPolarHBondContact CG-OG 3.26Å
352	G	92.1	Very high	96.4	Very high	36 Å²	36	24 Å²	24	37%	0.371	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.8	-7.5	-173.8	0	0	0	0	0	115.2	A350 T357 E385	A350-G352 PolarHBondContact O-N 3.4Å; G352-T357 WeakPolarHBondContact O-CB 3.28Å; G352-T357 WeakPolarHBondContact O-CG2 3.27Å; G352-T357 PolarHBondContact O-OG1 3.36Å; G352-E385 PolarHBondContact N-O 2.82Å
353	T	94.7	Very high	96.4	Very high	9 Å²	9	26.6 Å²	26.6	6%	0.055	17%	0.165	C	C	.	.			trans	-78.5	128.1	170.6	-58.3	0	0	0	0	109.5	V349 A350 P351 T357 N358 A361 M362 W384 F420	V349-T353 PolarHBondContact O-OG1 2.76Å; A350-T353 WeakPolarHBondContact O-CB 3.3Å; A350-T353 PolarHBondContact O-N 3.34Å; A350-T353 PolarHBondContact O-OG1 3.38Å; A350-T353 VanDerWaalsContact O-OG1 3.08Å; P351-T353 VanDerWaalsContact C-N 3.31Å; T353-T357 WeakPolarHBondContact CA-OG1 3.4Å; T353-N358 HydrophobicContact CG2-CB 4.24Å; T353-A361 HydrophobicContact CG2-CB 3.97Å; T353-M362 HydrophobicContact CG2-CG 4.33Å; T353-M362 HydrophobicContact CG2-SD 3.84Å; T353-W384 HydrophobicContact CG2-CZ2 4.24Å; T353-W384 PolarHBondContact O-NE1 3.04Å; T353-F420 HydrophobicContact CG2-CE1 4.49Å
354	S	95.3	Very high	96.4	Very high	8 Å²	8	26.7 Å²	26.7	6%	0.056	17%	0.165	C	C	.	.			trans	-154.8	173.2	179.4	68.7	0	0	0	0	110.4	K356 T357 N358 E390	S354-K356 PolarHBondContact O-N 3.12Å; S354-K356 VanDerWaalsContact O-N 3.1Å; S354-K356 PolarHBondContact OG-N 2.89Å; S354-T357 PolarHBondContact N-OG1 2.99Å; S354-T357 PolarHBondContact O-N 2.51Å; S354-T357 PolarHBondContact OG-N 3.45Å; S354-T357 PolarHBondContact OG-OG1 3Å; S354-N358 CarbonylContact O-C 3.55Å; S354-N358 VanDerWaalsContact O-C 3.3Å; S354-N358 PolarHBondContact O-N 3.03Å; S354-E390 VanDerWaalsContact CB-OE1 3.31Å; S354-E390 WeakPolarHBondContact CB-OE1 3.49Å
355	A	93.7	Very high	96.4	Very high	60 Å²	60	25.4 Å²	25.4	50%	0.496	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-25.2	174.3	0	0	0	0	0	112.4	P359 E390	A355-P359 WeakPolarHBondContact O-CB 3.49Å; A355-P359 WeakPolarHBondContact O-CD 3.33Å; A355-E390 PolarHBondContact N-OE1 2.8Å
356	K	92.5	Very high	96.3	Very high	165 Å²	165	28.5 Å²	28.5	72%	0.717	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-43.8	176.1	-178.1	178	177.8	179.8	0	113	S354	S354-K356 PolarHBondContact O-N 3.12Å; S354-K356 VanDerWaalsContact O-N 3.1Å; S354-K356 PolarHBondContact OG-N 2.89Å
357	T	93.9	Very high	96.3	Very high	21 Å²	21	32.7 Å²	32.7	13%	0.129	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-28.8	-170.1	61.8	0	0	0	0	113.5	N306 G352 T353 S354 F544	N306-T357 PolarHBondContact ND2-O 2.77Å; N306-T357 VanDerWaalsContact ND2-O 3.14Å; G352-T357 WeakPolarHBondContact O-CB 3.28Å; G352-T357 WeakPolarHBondContact O-CG2 3.27Å; G352-T357 PolarHBondContact O-OG1 3.36Å; T353-T357 WeakPolarHBondContact CA-OG1 3.4Å; S354-T357 PolarHBondContact N-OG1 2.99Å; S354-T357 PolarHBondContact O-N 2.51Å; S354-T357 PolarHBondContact OG-N 3.45Å; S354-T357 PolarHBondContact OG-OG1 3Å; T357-F544 VanDerWaalsContact CB-CE1 3.41Å; T357-F544 HydrophobicContact CG2-CD1 4.09Å; T357-F544 HydrophobicContact CG2-CD2 4.43Å; T357-F544 HydrophobicContact CG2-CE1 3.57Å; T357-F544 HydrophobicContact CG2-CE2 3.94Å; T357-F544 HydrophobicContact CG2-CG 4.49Å; T357-F544 HydrophobicContact CG2-CZ 3.47Å; T357-F544 VanDerWaalsContact CG2-CZ 3.47Å; T357-F544 WeakPolarHBondContact O-CD1 3.38Å
358	N	97.4	Very high	96.4	Very high	3 Å²	3	34.9 Å²	34.9	2%	0.016	21%	0.208	C	C	.	.			trans	-159.6	76.3	176.7	-164.4	-17.4	0	0	0	111.4	T305 T353 S354 N360 A361 M362	T305-N358 PolarHBondContact O-ND2 3.26Å; T353-N358 HydrophobicContact CG2-CB 4.24Å; S354-N358 CarbonylContact O-C 3.55Å; S354-N358 VanDerWaalsContact O-C 3.3Å; S354-N358 PolarHBondContact O-N 3.03Å; N358-N360 PolarHBondContact O-N 3.4Å; N358-A361 HydrophobicContact CB-CB 3.97Å; N358-A361 WeakPolarHBondContact ND2-CB 3.24Å; N358-A361 PolarHBondContact O-N 2.96Å; N358-A361 WeakPolarHBondContact OD1-CB 3.31Å; N358-A361 PolarHBondContact OD1-N 3.24Å; N358-M362 PolarHBondContact O-N 3.23Å; N358-M362 VanDerWaalsContact O-N 3.13Å
359	P	97.5	Very high	96.5	Very high	48 Å²	48	34.8 Å²	34.8	31%	0.312	21%	0.207	S	C	.	.	H	α-helix	trans	-60.8	-31.3	179.2	23.2	-33.2	0	0	0	112.9	C311 A355 M362 A363	C311-P359 HydrophobicContact CB-CG 3.84Å; A355-P359 WeakPolarHBondContact O-CB 3.49Å; A355-P359 WeakPolarHBondContact O-CD 3.33Å; P359-M362 PolarHBondContact O-N 3.47Å; P359-A363 PolarHBondContact O-N 3.06Å
360	N	98.7	Very high	96.8	Very high	21 Å²	21	33.8 Å²	33.8	11%	0.112	20%	0.201	C	C	.	.	H	α-helix	trans	-67.2	-42.6	177.8	-69.7	-43.1	0	0	0	111.6	M309 N358 A363 T364 P428 I429	M309-N360 HydrophobicContact CB-CB 4.06Å; M309-N360 PolarHBondContact O-ND2 3.35Å; N358-N360 PolarHBondContact O-N 3.4Å; N360-A363 PolarHBondContact O-N 3.23Å; N360-T364 WeakPolarHBondContact O-CB 3.37Å; N360-T364 PolarHBondContact O-N 2.76Å; N360-T364 PolarHBondContact O-OG1 3.21Å; N360-P428 HydrophobicContact CB-CG 4.24Å; N360-I429 HydrophobicContact CB-CD1 4.27Å; N360-I429 HydrophobicContact CB-CG1 4.24Å; N360-I429 VanDerWaalsContact ND2-CD1 3.27Å; N360-I429 WeakPolarHBondContact ND2-CD1 3.47Å
361	A	98.4	Very high	96.9	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.008	20%	0.201	C	C	.	.	H	α-helix	trans	-61.9	-44.8	172.5	0	0	0	0	0	111.1	M309 T353 N358 A363 T364 I365 F420	M309-A361 HydrophobicContact SD-CB 4.04Å; T353-A361 HydrophobicContact CG2-CB 3.97Å; N358-A361 HydrophobicContact CB-CB 3.97Å; N358-A361 WeakPolarHBondContact ND2-CB 3.24Å; N358-A361 PolarHBondContact O-N 2.96Å; N358-A361 WeakPolarHBondContact OD1-CB 3.31Å; N358-A361 PolarHBondContact OD1-N 3.24Å; A361-A363 VanDerWaalsContact C-N 3.29Å; A361-A363 PolarHBondContact O-N 2.82Å; A361-T364 WeakPolarHBondContact O-CB 3.37Å; A361-T364 PolarHBondContact O-N 2.87Å; A361-I365 WeakPolarHBondContact O-CG1 3.23Å; A361-I365 WeakPolarHBondContact O-CG2 3.31Å; A361-I365 PolarHBondContact O-N 2.84Å; A361-I365 VanDerWaalsContact O-N 3.12Å; A361-F420 HydrophobicContact CB-CZ 4.37Å
362	M	98.1	Very high	97.1	Very high	32 Å²	32	32.6 Å²	32.6	16%	0.158	19%	0.192	C	C	.	.	H	α-helix	trans	-56.8	-42.4	176.1	-66.6	-57	-70.4	0	0	112	T353 N358 P359 T364 I365 V366 W384 M387	T353-M362 HydrophobicContact CG2-CG 4.33Å; T353-M362 HydrophobicContact CG2-SD 3.84Å; N358-M362 PolarHBondContact O-N 3.23Å; N358-M362 VanDerWaalsContact O-N 3.13Å; P359-M362 PolarHBondContact O-N 3.47Å; M362-T364 VanDerWaalsContact C-N 3.29Å; M362-T364 PolarHBondContact O-N 2.92Å; M362-I365 WeakPolarHBondContact O-CG1 3.27Å; M362-I365 HydrophobicContact SD-CD1 3.99Å; M362-V366 WeakPolarHBondContact O-CG1 3.35Å; M362-W384 HydrophobicContact SD-CH2 4.49Å; M362-W384 HydrophobicContact SD-CZ2 3.99Å; M362-M387 HydrophobicContact CE-CE 3.8Å
363	A	98.5	Very high	97.4	Very high	54 Å²	54	30.9 Å²	30.9	45%	0.446	18%	0.175	S	C	.	.	H	α-helix	trans	-68.3	-26.6	175.2	0	0	0	0	0	113.6	P359 N360 A361 P428	P359-A363 PolarHBondContact O-N 3.06Å; N360-A363 PolarHBondContact O-N 3.23Å; A361-A363 VanDerWaalsContact C-N 3.29Å; A361-A363 PolarHBondContact O-N 2.82Å; A363-P428 HydrophobicContact CB-CG 4.2Å
364	T	98.8	Very high	97.6	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.012	17%	0.172	C	C	.	.	H	α-helix	trans	-76.5	-37.3	-177.6	-54.8	0	0	0	0	111.9	F346 N360 A361 M362 T422 Q426 C427 P428	F346-T364 HydrophobicContact CD2-CG2 4.43Å; N360-T364 WeakPolarHBondContact O-CB 3.37Å; N360-T364 PolarHBondContact O-N 2.76Å; N360-T364 PolarHBondContact O-OG1 3.21Å; A361-T364 WeakPolarHBondContact O-CB 3.37Å; A361-T364 PolarHBondContact O-N 2.87Å; M362-T364 VanDerWaalsContact C-N 3.29Å; M362-T364 PolarHBondContact O-N 2.92Å; T364-T422 HydrophobicContact CG2-CG2 3.74Å; T364-T422 PolarHBondContact O-OG1 3.47Å; T364-Q426 HydrophobicContact CG2-CB 4Å; T364-Q426 PolarHBondContact O-NE2 2.81Å; T364-C427 HydrophobicContact CG2-CB 4.27Å; T364-C427 WeakPolarHBondContact OG1-CA 3.47Å; T364-P428 WeakPolarHBondContact OG1-CD 3.46Å
365	I	98.6	Very high	97.7	Very high	4 Å²	4	30 Å²	30	2%	0.021	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-3	-167	63	174.8	0	0	0	115.1	A361 M362 K367 T369 F371 W384 F420 T422	A361-I365 WeakPolarHBondContact O-CG1 3.23Å; A361-I365 WeakPolarHBondContact O-CG2 3.31Å; A361-I365 PolarHBondContact O-N 2.84Å; A361-I365 VanDerWaalsContact O-N 3.12Å; M362-I365 WeakPolarHBondContact O-CG1 3.27Å; M362-I365 HydrophobicContact SD-CD1 3.99Å; I365-K367 PolarHBondContact O-N 2.72Å; I365-T369 WeakPolarHBondContact CA-OG1 3.36Å; I365-T369 HydrophobicContact CB-CG2 4.19Å; I365-T369 HydrophobicContact CG2-CG2 4.41Å; I365-T369 WeakPolarHBondContact O-CB 3.37Å; I365-T369 PolarHBondContact O-OG1 2.98Å; I365-F371 HydrophobicContact CB-CE1 4.29Å; I365-F371 HydrophobicContact CB-CZ 3.88Å; I365-F371 HydrophobicContact CD1-CE1 4Å; I365-F371 HydrophobicContact CD1-CZ 4.09Å; I365-F371 HydrophobicContact CG1-CZ 4.19Å; I365-F371 WeakPolarHBondContact O-CZ 3.33Å; I365-W384 HydrophobicContact CD1-CH2 3.66Å; I365-W384 HydrophobicContact CD1-CZ2 4.43Å; I365-F420 HydrophobicContact CG2-CB 4.03Å; I365-F420 HydrophobicContact CG2-CD1 4.2Å; I365-F420 HydrophobicContact CG2-CD2 3.59Å; I365-F420 HydrophobicContact CG2-CE2 4.02Å; I365-F420 HydrophobicContact CG2-CG 3.68Å; I365-F420 HydrophobicContact CG2-CZ 4.49Å; I365-T422 HydrophobicContact CG2-CG2 4.07Å
366	V	98	Very high	97.9	Very high	66 Å²	66	27.9 Å²	27.9	40%	0.4	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-1.8	-176.7	-63	0	0	0	0	114	Y85 E86 M362	Y85-V366 WeakPolarHBondContact CB-O 3.34Å; Y85-V366 HydrophobicContact CD1-CB 4.19Å; Y85-V366 HydrophobicContact CD1-CG1 4.28Å; Y85-V366 HydrophobicContact CE1-CG1 4.25Å; E86-V366 PolarHBondContact N-O 2.89Å; M362-V366 WeakPolarHBondContact O-CG1 3.35Å
367	K	98.4	Very high	98.2	Very high	87 Å²	87	20.3 Å²	20.3	38%	0.378	12%	0.117	S	C	.	.	B	Isolated β-bridge	trans	-144.8	152.1	173.5	66.2	-178.4	-177.7	-178.4	0	113.1	E86 C88 I365 T369 Q426	E86-K367 HydrophobicContact CB-CB 3.85Å; E86-K367 HydrophobicContact CG-CB 4.45Å; E86-K367 CarbonylContact O-C 3.44Å; E86-K367 WeakPolarHBondContact O-CA 3.46Å; C88-K367 VanDerWaalsContact SG-CA 3.56Å; I365-K367 PolarHBondContact O-N 2.72Å; K367-T369 PolarHBondContact O-N 3.15Å; K367-T369 PolarHBondContact O-OG1 2.76Å; K367-Q426 PolarHBondContact O-NE2 3.25Å
368	N	98.7	Very high	98.4	Very high	55 Å²	55	23 Å²	23	29%	0.294	14%	0.136	S	C	.	.	S	Bend	trans	47.8	36.7	176	-51.4	-58.7	0	0	0	114.1	E86 N87 P423 Q426	E86-N368 PolarHBondContact O-N 2.85Å; N87-N368 PolarHBondContact ND2-OD1 2.79Å; N87-N368 VanDerWaalsContact O-CA 3.29Å; N87-N368 WeakPolarHBondContact O-CA 3.27Å; N87-N368 PolarHBondContact O-N 3.4Å; N368-P423 HydrophobicContact CB-CG 4.43Å; N368-P423 WeakPolarHBondContact O-CD 3.43Å; N368-Q426 VanDerWaalsContact CB-OE1 3.31Å; N368-Q426 PolarHBondContact ND2-OE1 2.93Å
369	T	98.9	Very high	98.3	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.151	C	C	.	.			trans	-117.5	135.1	-171.7	-65.1	0	0	0	0	111.2	C88 W89 I365 K367 F371 F420 C421 T422	C88-T369 CarbonylContact C-O 3.51Å; C88-T369 WeakPolarHBondContact CA-O 3.38Å; C88-T369 WeakPolarHBondContact CB-O 3.44Å; W89-T369 PolarHBondContact N-O 2.84Å; I365-T369 WeakPolarHBondContact CA-OG1 3.36Å; I365-T369 HydrophobicContact CB-CG2 4.19Å; I365-T369 HydrophobicContact CG2-CG2 4.41Å; I365-T369 WeakPolarHBondContact O-CB 3.37Å; I365-T369 PolarHBondContact O-OG1 2.98Å; K367-T369 PolarHBondContact O-N 3.15Å; K367-T369 PolarHBondContact O-OG1 2.76Å; T369-F371 HydrophobicContact CG2-CD2 3.94Å; T369-F371 HydrophobicContact CG2-CE1 4.17Å; T369-F371 HydrophobicContact CG2-CE2 3.55Å; T369-F371 HydrophobicContact CG2-CG 4.41Å; T369-F371 HydrophobicContact CG2-CZ 3.69Å; T369-F420 HydrophobicContact CG2-CB 3.98Å; T369-C421 WeakPolarHBondContact CA-O 3.16Å; T369-T422 WeakPolarHBondContact OG1-CB 3.44Å; T369-T422 PolarHBondContact OG1-OG1 2.84Å; T369-T422 VanDerWaalsContact OG1-OG1 3.13Å
370	I	98.9	Very high	98.3	Very high	10 Å²	10	23.8 Å²	23.8	5%	0.051	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	121.1	170.6	-59.1	162	0	0	0	108.1	L70 W89 Y179 A182 F420 C421	L70-I370 HydrophobicContact CD2-CD1 4.49Å; W89-I370 HydrophobicContact CB-CG1 4.36Å; Y179-I370 HydrophobicContact CE2-CG2 3.88Å; A182-I370 HydrophobicContact CB-CD1 3.91Å; I370-F420 CarbonylContact O-C 3.45Å; I370-C421 HydrophobicContact CB-CB 4.28Å; I370-C421 PolarHBondContact N-O 2.96Å; I370-C421 WeakPolarHBondContact O-CB 3.22Å; I370-C421 PolarHBondContact O-N 3.04Å
371	F	98.9	Very high	98.3	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.009	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	143.9	173.4	-64.6	-90.9	0	0	0	110.4	L82 C88 W89 L90 A91 I365 T369 V374 I382 W384 R419 F420	L82-F371 HydrophobicContact CD1-CD2 3.57Å; L82-F371 HydrophobicContact CD1-CE2 4.03Å; L82-F371 HydrophobicContact CD1-CG 4.4Å; C88-F371 HydrophobicContact CB-CE2 4.17Å; W89-F371 PolarHBondContact O-N 2.83Å; L90-F371 CarbonylContact C-O 3.5Å; L90-F371 WeakPolarHBondContact CA-O 3.48Å; L90-F371 HydrophobicContact CD1-CB 4.1Å; A91-F371 PolarHBondContact N-O 2.81Å; I365-F371 HydrophobicContact CB-CE1 4.29Å; I365-F371 HydrophobicContact CB-CZ 3.88Å; I365-F371 HydrophobicContact CD1-CE1 4Å; I365-F371 HydrophobicContact CD1-CZ 4.09Å; I365-F371 HydrophobicContact CG1-CZ 4.19Å; I365-F371 WeakPolarHBondContact O-CZ 3.33Å; T369-F371 HydrophobicContact CG2-CD2 3.94Å; T369-F371 HydrophobicContact CG2-CE1 4.17Å; T369-F371 HydrophobicContact CG2-CE2 3.55Å; T369-F371 HydrophobicContact CG2-CG 4.41Å; T369-F371 HydrophobicContact CG2-CZ 3.69Å; F371-V374 HydrophobicContact CB-CG2 3.72Å; F371-V374 HydrophobicContact CD1-CG1 4.44Å; F371-V374 HydrophobicContact CD1-CG2 4.32Å; F371-V374 HydrophobicContact CG-CG2 4.28Å; F371-I382 HydrophobicContact CD1-CG2 4.3Å; F371-I382 HydrophobicContact CD2-CG2 4.14Å; F371-I382 HydrophobicContact CE1-CG1 4.14Å; F371-I382 HydrophobicContact CE1-CG2 4.48Å; F371-I382 HydrophobicContact CE2-CG2 4.33Å; F371-I382 HydrophobicContact CG-CG2 4.12Å; F371-I382 HydrophobicContact CZ-CG1 4.21Å; F371-I382 HydrophobicContact CZ-CG2 4.48Å; F371-W384 HydrophobicContact CD1-CZ3 4.19Å; F371-W384 HydrophobicContact CE1-CH2 4.28Å; F371-W384 AromaticContact CE1-CZ3 3.92Å; F371-W384 HydrophobicContact CE1-CZ3 3.92Å; F371-R419 WeakPolarHBondContact CA-O 3.43Å; F371-F420 HydrophobicContact CD1-CB 3.83Å; F371-F420 HydrophobicContact CE1-CB 3.76Å
372	T	98.8	Very high	98.2	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	121.3	-178.3	-42	0	0	0	0	109.9	A91 T93 Y179 V374 S418 R419	A91-T372 HydrophobicContact CB-CG2 4.34Å; A91-T372 WeakPolarHBondContact O-CA 3.48Å; T93-T372 HydrophobicContact CG2-CG2 3.65Å; Y179-T372 PolarHBondContact OH-OG1 2.77Å; T372-V374 VanDerWaalsContact C-N 3.32Å; T372-V374 PolarHBondContact O-N 2.83Å; T372-S418 VanDerWaalsContact O-CA 3.3Å; T372-S418 WeakPolarHBondContact O-CA 3.39Å; T372-S418 WeakPolarHBondContact O-CB 3.42Å; T372-R419 PolarHBondContact N-O 3.01Å; T372-R419 PolarHBondContact O-N 3.39Å
373	N	98.6	Very high	98.2	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.13	C	C	.	.	S	Bend	trans	61.8	29.4	177.1	-60.6	-23.9	0	0	0	115.6	A91 R92 T93 W400 H415 S418	A91-N373 PolarHBondContact O-N 2.8Å; R92-N373 WeakPolarHBondContact CA-OD1 3.31Å; T93-N373 PolarHBondContact N-OD1 3.25Å; T93-N373 PolarHBondContact OG1-ND2 2.87Å; T93-N373 PolarHBondContact OG1-OD1 3.43Å; N373-W400 VanDerWaalsContact C-CB 3.44Å; N373-W400 HydrophobicContact CB-CB 4.17Å; N373-W400 HydrophobicContact CB-CD2 4.36Å; N373-W400 HydrophobicContact CB-CE3 3.93Å; N373-W400 WeakPolarHBondContact O-CB 3.47Å; N373-H415 HydrophobicContact CB-CB 3.73Å; N373-H415 PolarHBondContact O-N 2.63Å; N373-S418 VanDerWaalsContact C-CB 3.45Å; N373-S418 WeakPolarHBondContact O-CB 3.47Å
374	V	98.7	Very high	98.2	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.109	C	C	.	.			trans	-89.8	167.1	167.9	-58.3	0	0	0	0	110.7	L90 A350 F371 T372 I382 W384	L90-V374 HydrophobicContact CD1-CG2 3.49Å; L90-V374 VanDerWaalsContact CD1-CG2 3.49Å; A350-V374 HydrophobicContact CB-CG1 3.82Å; F371-V374 HydrophobicContact CB-CG2 3.72Å; F371-V374 HydrophobicContact CD1-CG1 4.44Å; F371-V374 HydrophobicContact CD1-CG2 4.32Å; F371-V374 HydrophobicContact CG-CG2 4.28Å; T372-V374 VanDerWaalsContact C-N 3.32Å; T372-V374 PolarHBondContact O-N 2.83Å; V374-I382 HydrophobicContact CG2-CB 4.17Å; V374-I382 HydrophobicContact CG2-CG2 3.87Å; V374-W384 HydrophobicContact CB-CE3 4.21Å; V374-W384 HydrophobicContact CG1-CE3 3.75Å; V374-W384 HydrophobicContact CG1-CZ3 4.2Å
375	A	98.3	Very high	98	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	156.7	168.6	0	0	0	0	0	110.7	I382 Y383 T398 C413	A375-I382 WeakPolarHBondContact O-CA 3.16Å; A375-Y383 WeakPolarHBondContact CB-O 3.26Å; A375-Y383 PolarHBondContact N-O 3.22Å; A375-Y383 PolarHBondContact O-N 3.42Å; A375-T398 CarbonylContact C-O 3.52Å; A375-T398 VanDerWaalsContact CA-O 3.31Å; A375-T398 WeakPolarHBondContact CA-O 3.33Å; A375-C413 HydrophobicContact CB-CB 3.8Å
376	E	98.3	Very high	97.7	Very high	14 Å²	14	23 Å²	23	7%	0.065	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	136	176.1	-179.3	-177.8	-174.1	0	0	109.4	K80 L82 L90 R92 G381 L397 T398	K80-E376 WeakPolarHBondContact CE-OE1 3.4Å; K80-E376 VanDerWaalsContact NZ-CD 3.3Å; K80-E376 IonicContact NZ-OE1 2.62Å; K80-E376 PolarHBondContact NZ-OE1 3.35Å; K80-E376 IonicContact NZ-OE2 3.22Å; K80-E376 PolarHBondContact NZ-OE2 3.49Å; L82-E376 HydrophobicContact CD2-CG 4.36Å; L90-E376 HydrophobicContact CD2-CB 3.85Å; L90-E376 HydrophobicContact CD2-CG 4.41Å; R92-E376 IonicContact CZ-OE2 2.81Å; R92-E376 IonicContact NH1-OE2 3.12Å; R92-E376 PolarHBondContact NH1-OE2 3.44Å; R92-E376 IonicContact NH2-OE2 2.77Å; R92-E376 PolarHBondContact NH2-OE2 2.95Å; E376-G381 WeakPolarHBondContact CA-O 3.42Å; E376-L397 WeakPolarHBondContact O-CA 3.31Å; E376-T398 PolarHBondContact N-O 3.11Å; E376-T398 PolarHBondContact O-N 3.34Å
377	T	97.9	Very high	97.5	Very high	6 Å²	6	20.4 Å²	20.4	4%	0.037	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	150.1	173.7	56	0	0	0	0	110.8	D379 G380 G381 L391 V395 L397	T377-D379 WeakPolarHBondContact CB-OD1 3.49Å; T377-D379 PolarHBondContact O-N 3.46Å; T377-D379 VanDerWaalsContact O-N 3.14Å; T377-D379 PolarHBondContact OG1-OD1 3.34Å; T377-G380 PolarHBondContact O-N 2.98Å; T377-G381 PolarHBondContact N-O 3.3Å; T377-G381 VanDerWaalsContact N-O 3.12Å; T377-G381 WeakPolarHBondContact OG1-CA 3.21Å; T377-G381 PolarHBondContact OG1-N 2.99Å; T377-G381 PolarHBondContact OG1-O 2.86Å; T377-L391 HydrophobicContact CG2-CD1 4.01Å; T377-V395 HydrophobicContact CG2-CG1 3.96Å; T377-L397 HydrophobicContact CG2-CD2 3.52Å
378	S	97.6	Very high	97	Very high	77 Å²	77	21.9 Å²	21.9	54%	0.538	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-20.7	178.6	44.4	0	0	0	0	115	G380 T396	S378-G380 VanDerWaalsContact C-N 3.27Å; S378-T396 WeakPolarHBondContact CB-OG1 3.41Å; S378-T396 PolarHBondContact N-O 2.81Å; S378-T396 PolarHBondContact OG-N 3.27Å; S378-T396 PolarHBondContact OG-O 2.96Å; S378-T396 PolarHBondContact OG-OG1 3.39Å
379	D	96.7	Very high	96.3	Very high	62 Å²	62	28.2 Å²	28.2	33%	0.332	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	9.8	172.3	69.3	-15	0	0	0	113.5	K84 T377	K84-D379 WeakPolarHBondContact CE-OD2 3.48Å; K84-D379 IonicContact NZ-OD1 3.78Å; K84-D379 IonicContact NZ-OD2 2.7Å; K84-D379 PolarHBondContact NZ-OD2 2.77Å; T377-D379 WeakPolarHBondContact CB-OD1 3.49Å; T377-D379 PolarHBondContact O-N 3.46Å; T377-D379 VanDerWaalsContact O-N 3.14Å; T377-D379 PolarHBondContact OG1-OD1 3.34Å
380	G	96.9	Very high	95.5	Very high	6 Å²	6	31.8 Å²	31.8	6%	0.062	17%	0.169	C	C	.	.	S	Bend	trans	83.2	22	173.5	0	0	0	0	0	115.1	L82 T83 K84 T377 S378	L82-G380 CarbonylContact C-O 3.26Å; T83-G380 PolarHBondContact N-O 3.48Å; K84-G380 VanDerWaalsContact CB-O 3.27Å; K84-G380 WeakPolarHBondContact CB-O 3.46Å; K84-G380 PolarHBondContact N-O 3.44Å; T377-G380 PolarHBondContact O-N 2.98Å; S378-G380 VanDerWaalsContact C-N 3.27Å
381	G	97.4	Very high	94.9	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.181	C	C	.	.			trans	-101.6	-162.6	175.6	0	0	0	0	0	113.8	E376 T377	E376-G381 WeakPolarHBondContact CA-O 3.42Å; T377-G381 PolarHBondContact N-O 3.3Å; T377-G381 VanDerWaalsContact N-O 3.12Å; T377-G381 WeakPolarHBondContact OG1-CA 3.21Å; T377-G381 PolarHBondContact OG1-N 2.99Å; T377-G381 PolarHBondContact OG1-O 2.86Å
382	I	97.8	Very high	94.3	Very high	6 Å²	6	36.8 Å²	36.8	3%	0.031	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	159.8	179.6	58.8	67.2	0	0	0	111	L82 Y85 F371 V374 A375 W384 M387	L82-I382 HydrophobicContact CD1-CG2 3.54Å; L82-I382 HydrophobicContact CD2-CG2 4.14Å; L82-I382 HydrophobicContact CG-CG2 4.49Å; Y85-I382 HydrophobicContact CE2-CB 4.45Å; Y85-I382 HydrophobicContact CE2-CG1 3.92Å; Y85-I382 HydrophobicContact CE2-CG2 4.2Å; F371-I382 HydrophobicContact CD1-CG2 4.3Å; F371-I382 HydrophobicContact CD2-CG2 4.14Å; F371-I382 HydrophobicContact CE1-CG1 4.14Å; F371-I382 HydrophobicContact CE1-CG2 4.48Å; F371-I382 HydrophobicContact CE2-CG2 4.33Å; F371-I382 HydrophobicContact CG-CG2 4.12Å; F371-I382 HydrophobicContact CZ-CG1 4.21Å; F371-I382 HydrophobicContact CZ-CG2 4.48Å; V374-I382 HydrophobicContact CG2-CB 4.17Å; V374-I382 HydrophobicContact CG2-CG2 3.87Å; A375-I382 WeakPolarHBondContact O-CA 3.16Å; I382-W384 HydrophobicContact CB-CZ3 4.43Å; I382-W384 HydrophobicContact CD1-CE3 3.86Å; I382-W384 HydrophobicContact CD1-CH2 3.62Å; I382-W384 HydrophobicContact CD1-CZ2 4.33Å; I382-W384 HydrophobicContact CD1-CZ3 3.33Å; I382-W384 HydrophobicContact CG1-CH2 4.42Å; I382-W384 HydrophobicContact CG1-CZ3 3.88Å; I382-M387 HydrophobicContact CD1-CE 3.92Å; I382-M387 HydrophobicContact CD1-SD 3.96Å
383	Y	97.6	Very high	93.7	Very high	13 Å²	13	46.3 Å²	46.3	5%	0.051	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	153.4	172.2	-170	-97.4	0	0	0	111.2	A375 M387 E388 L391 L397 C413	A375-Y383 WeakPolarHBondContact CB-O 3.26Å; A375-Y383 PolarHBondContact N-O 3.22Å; A375-Y383 PolarHBondContact O-N 3.42Å; Y383-M387 HydrophobicContact CD2-CB 3.96Å; Y383-M387 HydrophobicContact CE2-CB 3.64Å; Y383-M387 WeakPolarHBondContact CE2-O 3.44Å; Y383-E388 VanDerWaalsContact OH-CA 3.27Å; Y383-E388 WeakPolarHBondContact OH-CA 3.4Å; Y383-E388 PolarHBondContact OH-N 2.92Å; Y383-L391 HydrophobicContact CD2-CB 4.39Å; Y383-L391 HydrophobicContact CD2-CD1 3.97Å; Y383-L391 HydrophobicContact CE2-CB 3.84Å; Y383-L391 HydrophobicContact CE2-CD1 4.21Å; Y383-L391 HydrophobicContact CE2-CD2 4.39Å; Y383-L391 HydrophobicContact CE2-CG 4.38Å; Y383-L397 HydrophobicContact CD1-CD1 3.52Å; Y383-L397 HydrophobicContact CD1-CD2 4Å; Y383-L397 HydrophobicContact CD1-CG 4.44Å; Y383-L397 HydrophobicContact CD2-CD2 4.48Å; Y383-L397 HydrophobicContact CE1-CD1 3.76Å; Y383-L397 HydrophobicContact CG-CD1 4.06Å; Y383-L397 HydrophobicContact CG-CD2 3.77Å; Y383-C413 WeakPolarHBondContact CD1-SG 3.44Å
384	W	97.5	Very high	93.3	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.281	C	S	.	.			trans	-159.7	169.9	172.1	54.2	64.2	0	0	0	110.7	A350 P351 T353 M362 I365 F371 V374 I382 G386 M387 A414	A350-W384 HydrophobicContact CB-CD2 3.82Å; A350-W384 HydrophobicContact CB-CE3 3.53Å; A350-W384 HydrophobicContact CB-CG 4.5Å; A350-W384 HydrophobicContact CB-CH2 4.17Å; A350-W384 HydrophobicContact CB-CZ2 4.45Å; A350-W384 HydrophobicContact CB-CZ3 3.71Å; A350-W384 VanDerWaalsContact O-CE2 3.23Å; A350-W384 PolarHBondContact O-NE1 2.78Å; A350-W384 VanDerWaalsContact O-NE1 3.12Å; P351-W384 HydrophobicContact CG-CB 4.39Å; T353-W384 HydrophobicContact CG2-CZ2 4.24Å; T353-W384 PolarHBondContact O-NE1 3.04Å; M362-W384 HydrophobicContact SD-CH2 4.49Å; M362-W384 HydrophobicContact SD-CZ2 3.99Å; I365-W384 HydrophobicContact CD1-CH2 3.66Å; I365-W384 HydrophobicContact CD1-CZ2 4.43Å; F371-W384 HydrophobicContact CD1-CZ3 4.19Å; F371-W384 HydrophobicContact CE1-CH2 4.28Å; F371-W384 AromaticContact CE1-CZ3 3.92Å; F371-W384 HydrophobicContact CE1-CZ3 3.92Å; V374-W384 HydrophobicContact CB-CE3 4.21Å; V374-W384 HydrophobicContact CG1-CE3 3.75Å; V374-W384 HydrophobicContact CG1-CZ3 4.2Å; I382-W384 HydrophobicContact CB-CZ3 4.43Å; I382-W384 HydrophobicContact CD1-CE3 3.86Å; I382-W384 HydrophobicContact CD1-CH2 3.62Å; I382-W384 HydrophobicContact CD1-CZ2 4.33Å; I382-W384 HydrophobicContact CD1-CZ3 3.33Å; I382-W384 HydrophobicContact CG1-CH2 4.42Å; I382-W384 HydrophobicContact CG1-CZ3 3.88Å; W384-G386 PolarHBondContact O-N 2.93Å; W384-M387 HydrophobicContact CD2-SD 3.67Å; W384-M387 HydrophobicContact CE3-SD 4.29Å; W384-M387 HydrophobicContact CG-CG 4.37Å; W384-M387 HydrophobicContact CG-SD 3.93Å; W384-M387 HydrophobicContact CH2-SD 4.43Å; W384-M387 HydrophobicContact CZ2-SD 3.8Å; W384-M387 PolarHBondContact NE1-SD 2.87Å; W384-M387 VanDerWaalsContact NE1-SD 3.39Å; W384-M387 PolarHBondContact O-N 2.82Å; W384-A414 HydrophobicContact CB-CB 3.59Å
385	E	95.5	Very high	93.1	Very high	49 Å²	49	51.2 Å²	51.2	23%	0.229	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	130.4	176.3	-70	64.8	-142.2	0	0	111.8	G352 P412 C413	G352-E385 PolarHBondContact N-O 2.82Å; E385-P412 VanDerWaalsContact CD-CB 3.47Å; E385-P412 HydrophobicContact CG-CB 4.22Å; E385-P412 WeakPolarHBondContact OE1-CA 3.45Å; E385-P412 VanDerWaalsContact OE1-CB 3.27Å; E385-P412 WeakPolarHBondContact OE1-CB 3.46Å; E385-C413 PolarHBondContact OE1-N 3.15Å; E385-C413 PolarHBondContact OE1-SG 2.84Å
386	G	92.2	Very high	93	Very high	31 Å²	31	55.7 Å²	55.7	32%	0.32	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	102.7	-0.7	-174.5	0	0	0	0	0	115	W384 E388	W384-G386 PolarHBondContact O-N 2.93Å; G386-E388 WeakPolarHBondContact CA-OE2 3.26Å; G386-E388 PolarHBondContact N-OE1 3.35Å; G386-E388 PolarHBondContact N-OE2 2.89Å
387	M	93.3	Very high	92.9	Very high	10 Å²	10	55.5 Å²	55.5	5%	0.049	32%	0.316	C	S	.	.			trans	-105.8	16.9	175.7	-64.3	-179	73.8	0	0	113.2	M362 I382 Y383 W384 Q389 E390	M362-M387 HydrophobicContact CE-CE 3.8Å; I382-M387 HydrophobicContact CD1-CE 3.92Å; I382-M387 HydrophobicContact CD1-SD 3.96Å; Y383-M387 HydrophobicContact CD2-CB 3.96Å; Y383-M387 HydrophobicContact CE2-CB 3.64Å; Y383-M387 WeakPolarHBondContact CE2-O 3.44Å; W384-M387 HydrophobicContact CD2-SD 3.67Å; W384-M387 HydrophobicContact CE3-SD 4.29Å; W384-M387 HydrophobicContact CG-CG 4.37Å; W384-M387 HydrophobicContact CG-SD 3.93Å; W384-M387 HydrophobicContact CH2-SD 4.43Å; W384-M387 HydrophobicContact CZ2-SD 3.8Å; W384-M387 PolarHBondContact NE1-SD 2.87Å; W384-M387 VanDerWaalsContact NE1-SD 3.39Å; W384-M387 PolarHBondContact O-N 2.82Å; M387-Q389 PolarHBondContact O-N 2.86Å; M387-E390 HydrophobicContact CB-CB 4.46Å; M387-E390 WeakPolarHBondContact CE-OE2 3.39Å; M387-E390 WeakPolarHBondContact O-CB 3.43Å; M387-E390 PolarHBondContact O-N 2.96Å
388	E	87.4	Confident	93	Very high	119 Å²	119	57.2 Å²	57.2	56%	0.556	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-27.7	-170.2	-62.1	74.7	-163.2	0	0	113.4	Y383 G386 E390	Y383-E388 VanDerWaalsContact OH-CA 3.27Å; Y383-E388 WeakPolarHBondContact OH-CA 3.4Å; Y383-E388 PolarHBondContact OH-N 2.92Å; G386-E388 WeakPolarHBondContact CA-OE2 3.26Å; G386-E388 PolarHBondContact N-OE1 3.35Å; G386-E388 PolarHBondContact N-OE2 2.89Å; E388-E390 VanDerWaalsContact C-N 3.33Å
389	Q	84	Confident	93	Very high	188 Å²	188	53.9 Å²	53.9	88%	0.879	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-5.9	178.4	-61.5	-177.8	-11.7	0	0	113.7	M387	M387-Q389 PolarHBondContact O-N 2.86Å
390	E	83.9	Confident	93	Very high	74 Å²	74	51.7 Å²	51.7	35%	0.346	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	-9	-174	-57.8	-176.9	-161.4	0	0	113	S354 A355 M387 E388 P392	S354-E390 VanDerWaalsContact CB-OE1 3.31Å; S354-E390 WeakPolarHBondContact CB-OE1 3.49Å; A355-E390 PolarHBondContact N-OE1 2.8Å; M387-E390 HydrophobicContact CB-CB 4.46Å; M387-E390 WeakPolarHBondContact CE-OE2 3.39Å; M387-E390 WeakPolarHBondContact O-CB 3.43Å; M387-E390 PolarHBondContact O-N 2.96Å; E388-E390 VanDerWaalsContact C-N 3.33Å; E390-P392 VanDerWaalsContact O-CD 3.31Å; E390-P392 WeakPolarHBondContact O-CD 3.48Å
391	L	85.7	Confident	93	Very high	56 Å²	56	54.6 Å²	54.6	29%	0.293	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-77	118.8	-179.7	-170	65.7	0	0	0	110.7	T377 Y383 V395 L397	T377-L391 HydrophobicContact CG2-CD1 4.01Å; Y383-L391 HydrophobicContact CD2-CB 4.39Å; Y383-L391 HydrophobicContact CD2-CD1 3.97Å; Y383-L391 HydrophobicContact CE2-CB 3.84Å; Y383-L391 HydrophobicContact CE2-CD1 4.21Å; Y383-L391 HydrophobicContact CE2-CD2 4.39Å; Y383-L391 HydrophobicContact CE2-CG 4.38Å; L391-V395 HydrophobicContact CD1-CB 4.16Å; L391-V395 HydrophobicContact CD1-CG1 3.91Å; L391-L397 HydrophobicContact CD1-CD2 4.04Å; L391-L397 HydrophobicContact CD1-CG 4.47Å; L391-L397 HydrophobicContact CD2-CD1 3.99Å; L391-L397 HydrophobicContact CD2-CG 4.39Å
392	P	85.3	Confident	93	Very high	61 Å²	61	59 Å²	59	40%	0.396	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-67.1	151	177.3	-17.4	31.3	0	0	0	112.3	E390 V395	E390-P392 VanDerWaalsContact O-CD 3.31Å; E390-P392 WeakPolarHBondContact O-CD 3.48Å; P392-V395 HydrophobicContact CB-CG2 3.82Å; P392-V395 HydrophobicContact CG-CG2 4.1Å; P392-V395 WeakPolarHBondContact O-CB 3.49Å; P392-V395 PolarHBondContact O-N 3.49Å
393	E	88.1	Confident	92.9	Very high	201 Å²	201	65 Å²	65	94%	0.939	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	137.5	177	-166.3	175.4	-173.5	0	0	111.3	V395	E393-V395 VanDerWaalsContact C-N 3.27Å; E393-V395 PolarHBondContact O-N 3.15Å
394	G	89.1	Confident	92.9	Very high	76 Å²	76	69.9 Å²	69.9	78%	0.784	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	80	-4.9	-179.9	0	0	0	0	0	115.7	T396	G394-T396 PolarHBondContact O-N 2.83Å
395	V	94.5	Very high	92.9	Very high	27 Å²	27	72.2 Å²	72.2	16%	0.164	39%	0.392	C	S	.	.			trans	-80	118.8	176.2	176.4	0	0	0	0	110.3	T377 L391 P392 E393	T377-V395 HydrophobicContact CG2-CG1 3.96Å; L391-V395 HydrophobicContact CD1-CB 4.16Å; L391-V395 HydrophobicContact CD1-CG1 3.91Å; P392-V395 HydrophobicContact CB-CG2 3.82Å; P392-V395 HydrophobicContact CG-CG2 4.1Å; P392-V395 WeakPolarHBondContact O-CB 3.49Å; P392-V395 PolarHBondContact O-N 3.49Å; E393-V395 VanDerWaalsContact C-N 3.27Å; E393-V395 PolarHBondContact O-N 3.15Å
396	T	95.9	Very high	92.7	Very high	94 Å²	94	72 Å²	72	58%	0.577	40%	0.396	S	S	*	.			trans	-86.8	158.8	173.5	63.1	0	0	0	0	112.3	S378 G394	S378-T396 WeakPolarHBondContact CB-OG1 3.41Å; S378-T396 PolarHBondContact N-O 2.81Å; S378-T396 PolarHBondContact OG-N 3.27Å; S378-T396 PolarHBondContact OG-O 2.96Å; S378-T396 PolarHBondContact OG-OG1 3.39Å; G394-T396 PolarHBondContact O-N 2.83Å
397	L	97.4	Very high	92.4	Very high	10 Å²	10	75.6 Å²	75.6	5%	0.052	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	140.5	-175.7	-67	173.5	0	0	0	112.1	E376 T377 Y383 L391 W405	E376-L397 WeakPolarHBondContact O-CA 3.31Å; T377-L397 HydrophobicContact CG2-CD2 3.52Å; Y383-L397 HydrophobicContact CD1-CD1 3.52Å; Y383-L397 HydrophobicContact CD1-CD2 4Å; Y383-L397 HydrophobicContact CD1-CG 4.44Å; Y383-L397 HydrophobicContact CD2-CD2 4.48Å; Y383-L397 HydrophobicContact CE1-CD1 3.76Å; Y383-L397 HydrophobicContact CG-CD1 4.06Å; Y383-L397 HydrophobicContact CG-CD2 3.77Å; L391-L397 HydrophobicContact CD1-CD2 4.04Å; L391-L397 HydrophobicContact CD1-CG 4.47Å; L391-L397 HydrophobicContact CD2-CD1 3.99Å; L391-L397 HydrophobicContact CD2-CG 4.39Å; L397-W405 HydrophobicContact CB-CB 4.38Å; L397-W405 HydrophobicContact CB-CE3 4.07Å; L397-W405 HydrophobicContact CD1-CE3 3.43Å; L397-W405 VanDerWaalsContact CD1-CE3 3.43Å; L397-W405 HydrophobicContact CD1-CZ3 3.48Å; L397-W405 VanDerWaalsContact CD1-CZ3 3.48Å; L397-W405 HydrophobicContact CG-CE3 4.38Å; L397-W405 PolarHBondContact O-N 2.82Å
398	T	98.2	Very high	92.2	Very high	41 Å²	41	83.4 Å²	83.4	25%	0.252	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	117.5	165.7	-59.5	0	0	0	0	108.9	A375 E376 K403	A375-T398 CarbonylContact C-O 3.52Å; A375-T398 VanDerWaalsContact CA-O 3.31Å; A375-T398 WeakPolarHBondContact CA-O 3.33Å; E376-T398 PolarHBondContact N-O 3.11Å; E376-T398 PolarHBondContact O-N 3.34Å; T398-K403 CarbonylContact C-O 3.57Å; T398-K403 WeakPolarHBondContact CA-O 3.48Å
399	S	98.1	Very high	92.2	Very high	7 Å²	7	81.7 Å²	81.7	5%	0.049	45%	0.448	C	S	.	.			trans	-62.3	166.8	-179.2	62.4	0	0	0	0	113.4	R92 K401 N402 K403 C413	R92-S399 PolarHBondContact NE-O 2.74Å; S399-K401 PolarHBondContact O-N 3.38Å; S399-N402 WeakPolarHBondContact O-CA 3.14Å; S399-N402 PolarHBondContact O-N 3.26Å; S399-K403 PolarHBondContact N-O 3.45Å; S399-K403 PolarHBondContact OG-N 3.23Å; S399-K403 PolarHBondContact OG-O 3.27Å; S399-C413 CarbonylContact C-O 3.56Å; S399-C413 VanDerWaalsContact CA-O 3.27Å; S399-C413 WeakPolarHBondContact CA-O 3.43Å; S399-C413 WeakPolarHBondContact CB-O 3.31Å
400	W	98.1	Very high	92.3	Very high	16 Å²	16	76.6 Å²	76.6	6%	0.061	45%	0.445	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-22.1	172.5	78.3	-83.9	0	0	0	113.7	R92 P95 V98 N373 N402 C413 A414 H415	R92-W400 WeakPolarHBondContact CD-O 3.48Å; R92-W400 WeakPolarHBondContact CG-O 3.41Å; P95-W400 HydrophobicContact CB-CH2 3.98Å; P95-W400 HydrophobicContact CB-CZ3 4.4Å; P95-W400 HydrophobicContact CG-CH2 4.14Å; P95-W400 HydrophobicContact CG-CZ3 4.24Å; V98-W400 HydrophobicContact CG1-CH2 3.97Å; V98-W400 HydrophobicContact CG1-CZ3 3.8Å; N373-W400 VanDerWaalsContact C-CB 3.44Å; N373-W400 HydrophobicContact CB-CB 4.17Å; N373-W400 HydrophobicContact CB-CD2 4.36Å; N373-W400 HydrophobicContact CB-CE3 3.93Å; N373-W400 WeakPolarHBondContact O-CB 3.47Å; W400-N402 PolarHBondContact O-N 3.07Å; W400-C413 VanDerWaalsContact CD1-O 3.32Å; W400-C413 PolarHBondContact N-O 2.78Å; W400-A414 VanDerWaalsContact CD1-C 3.43Å; W400-H415 HydrophobicContact CD2-CB 3.94Å; W400-H415 HydrophobicContact CE3-CB 4.28Å; W400-H415 HydrophobicContact CG-CB 4.27Å; W400-H415 AromaticContact CH2-CD2 3.78Å; W400-H415 HydrophobicContact CZ2-CB 4.32Å; W400-H415 AromaticContact CZ2-CD2 3.65Å
401	K	96.9	Very high	92.7	Very high	67 Å²	67	78.2 Å²	78.2	29%	0.291	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	9	172.1	-63.8	-178.3	-179.3	172.1	0	113	S399 K403 E411	S399-K401 PolarHBondContact O-N 3.38Å; K401-K403 VanDerWaalsContact C-N 3.35Å; K401-K403 PolarHBondContact O-N 3.13Å; K401-E411 VanDerWaalsContact NZ-CD 3.33Å; K401-E411 IonicContact NZ-OE1 3.71Å; K401-E411 PolarHBondContact NZ-OE1 3.1Å; K401-E411 IonicContact NZ-OE2 2.97Å; K401-E411 PolarHBondContact NZ-OE2 2.81Å
402	N	96.5	Very high	93.2	Very high	94 Å²	94	78.1 Å²	78.1	50%	0.503	46%	0.456	S	S	.	.	S	Bend	trans	58.1	41.5	-178.3	-159.6	40.5	0	0	0	113.6	S399 W400	S399-N402 WeakPolarHBondContact O-CA 3.14Å; S399-N402 PolarHBondContact O-N 3.26Å; W400-N402 PolarHBondContact O-N 3.07Å
403	K	96.6	Very high	93.7	Very high	132 Å²	132	75.2 Å²	75.2	57%	0.574	44%	0.437	S	S	*	.	S	Bend	trans	-124	146.7	175.9	-62.7	-177.2	-178.2	-176.9	0	110.2	T398 S399 K401 W405	T398-K403 CarbonylContact C-O 3.57Å; T398-K403 WeakPolarHBondContact CA-O 3.48Å; S399-K403 PolarHBondContact N-O 3.45Å; S399-K403 PolarHBondContact OG-N 3.23Å; S399-K403 PolarHBondContact OG-O 3.27Å; K401-K403 VanDerWaalsContact C-N 3.35Å; K401-K403 PolarHBondContact O-N 3.13Å; K403-W405 PolarHBondContact O-N 3.42Å
404	P	97.4	Very high	94.2	Very high	114 Å²	114	65.7 Å²	65.7	74%	0.74	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-48.7	141.4	165.3	-24	33.8	0	0	0	110.1
405	W	96.9	Very high	94.6	Very high	50 Å²	50	63.3 Å²	63.3	19%	0.189	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	141.8	-176	-175.8	89.1	0	0	0	112.1	L397 K403 D409 E411 C413	L397-W405 HydrophobicContact CB-CB 4.38Å; L397-W405 HydrophobicContact CB-CE3 4.07Å; L397-W405 HydrophobicContact CD1-CE3 3.43Å; L397-W405 VanDerWaalsContact CD1-CE3 3.43Å; L397-W405 HydrophobicContact CD1-CZ3 3.48Å; L397-W405 VanDerWaalsContact CD1-CZ3 3.48Å; L397-W405 HydrophobicContact CG-CE3 4.38Å; L397-W405 PolarHBondContact O-N 2.82Å; K403-W405 PolarHBondContact O-N 3.42Å; W405-D409 VanDerWaalsContact CA-OD2 3.25Å; W405-D409 WeakPolarHBondContact CA-OD2 3.01Å; W405-E411 PolarHBondContact NE1-O 3.39Å; W405-C413 HydrophobicContact CD2-CB 3.45Å; W405-C413 VanDerWaalsContact CD2-CB 3.45Å; W405-C413 HydrophobicContact CE3-CB 3.83Å; W405-C413 HydrophobicContact CG-CB 3.81Å; W405-C413 HydrophobicContact CH2-CB 4.25Å; W405-C413 HydrophobicContact CZ2-CB 3.92Å; W405-C413 HydrophobicContact CZ3-CB 4.21Å
406	S	91.7	Very high	94.5	Very high	44 Å²	44	65.1 Å²	65.1	31%	0.308	37%	0.373	S	S	.	.			trans	-132.7	161.5	169.1	84.1	0	0	0	0	111.1	E408 D409	S406-E408 PolarHBondContact O-N 2.78Å; S406-E408 PolarHBondContact OG-N 3.1Å; S406-D409 PolarHBondContact N-OD2 2.77Å; S406-D409 WeakPolarHBondContact O-CB 3.25Å; S406-D409 PolarHBondContact O-N 2.85Å; S406-D409 VanDerWaalsContact O-N 3.15Å; S406-D409 PolarHBondContact OG-OD1 2.9Å
407	S	85.7	Confident	94.4	Very high	106 Å²	106	60.9 Å²	60.9	74%	0.741	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-14.3	175	52.5	0	0	0	0	113.9
408	E	88.3	Confident	94.4	Very high	174 Å²	174	60.4 Å²	60.4	81%	0.813	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-12.5	-179.9	-58.6	-177	177.2	0	0	112.9	S406 G410	S406-E408 PolarHBondContact O-N 2.78Å; S406-E408 PolarHBondContact OG-N 3.1Å; E408-G410 PolarHBondContact O-N 2.89Å
409	D	87.1	Confident	94.4	Very high	84 Å²	84	59.9 Å²	59.9	45%	0.449	34%	0.337	S	S	.	.	S	Bend	trans	-74.1	-9.6	-170.3	-62.1	-10.5	0	0	0	114.1	W405 S406 E411	W405-D409 VanDerWaalsContact CA-OD2 3.25Å; W405-D409 WeakPolarHBondContact CA-OD2 3.01Å; S406-D409 PolarHBondContact N-OD2 2.77Å; S406-D409 WeakPolarHBondContact O-CB 3.25Å; S406-D409 PolarHBondContact O-N 2.85Å; S406-D409 VanDerWaalsContact O-N 3.15Å; S406-D409 PolarHBondContact OG-OD1 2.9Å; D409-E411 PolarHBondContact O-N 3.08Å; D409-E411 VanDerWaalsContact O-N 3.12Å
410	G	87.1	Confident	94.5	Very high	80 Å²	80	59.6 Å²	59.6	83%	0.825	34%	0.335	S	S	*	.	S	Bend	trans	71.2	1.3	175.1	0	0	0	0	0	116.1	E408	E408-G410 PolarHBondContact O-N 2.89Å
411	E	92.4	Very high	94.5	Very high	109 Å²	109	58.8 Å²	58.8	51%	0.509	33%	0.332	S	S	.	.	S	Bend	trans	-118.2	151.7	171.6	-68.5	-164	152.1	0	0	110.8	K401 W405 D409	K401-E411 VanDerWaalsContact NZ-CD 3.33Å; K401-E411 IonicContact NZ-OE1 3.71Å; K401-E411 PolarHBondContact NZ-OE1 3.1Å; K401-E411 IonicContact NZ-OE2 2.97Å; K401-E411 PolarHBondContact NZ-OE2 2.81Å; W405-E411 PolarHBondContact NE1-O 3.39Å; D409-E411 PolarHBondContact O-N 3.08Å; D409-E411 VanDerWaalsContact O-N 3.12Å
412	P	95.2	Very high	94.6	Very high	54 Å²	54	55.6 Å²	55.6	35%	0.351	32%	0.318	S	S	.	.			trans	-69.1	142.7	175.8	30.2	-35.6	0	0	0	112	E385 A414 P416	E385-P412 VanDerWaalsContact CD-CB 3.47Å; E385-P412 HydrophobicContact CG-CB 4.22Å; E385-P412 WeakPolarHBondContact OE1-CA 3.45Å; E385-P412 VanDerWaalsContact OE1-CB 3.27Å; E385-P412 WeakPolarHBondContact OE1-CB 3.46Å; P412-A414 VanDerWaalsContact C-N 3.34Å; P412-A414 WeakPolarHBondContact CB-O 3.35Å; P412-P416 HydrophobicContact CG-CG 4.41Å
413	C	96.9	Very high	94.7	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	30%	0.302	C	S	.	.	S	Bend	trans	-69.8	-31.3	178.3	70.8	0	0	0	0	112.2	A375 Y383 E385 S399 W400 W405	A375-C413 HydrophobicContact CB-CB 3.8Å; Y383-C413 WeakPolarHBondContact CD1-SG 3.44Å; E385-C413 PolarHBondContact OE1-N 3.15Å; E385-C413 PolarHBondContact OE1-SG 2.84Å; S399-C413 CarbonylContact C-O 3.56Å; S399-C413 VanDerWaalsContact CA-O 3.27Å; S399-C413 WeakPolarHBondContact CA-O 3.43Å; S399-C413 WeakPolarHBondContact CB-O 3.31Å; W400-C413 VanDerWaalsContact CD1-O 3.32Å; W400-C413 PolarHBondContact N-O 2.78Å; W405-C413 HydrophobicContact CD2-CB 3.45Å; W405-C413 VanDerWaalsContact CD2-CB 3.45Å; W405-C413 HydrophobicContact CE3-CB 3.83Å; W405-C413 HydrophobicContact CG-CB 3.81Å; W405-C413 HydrophobicContact CH2-CB 4.25Å; W405-C413 HydrophobicContact CZ2-CB 3.92Å; W405-C413 HydrophobicContact CZ3-CB 4.21Å
414	A	98	Very high	94.8	Very high	0 Å²	0	46 Å²	46	0%	0	28%	0.275	C	S	.	.	S	Bend	trans	-112	153.3	174.7	0	0	0	0	0	110.2	W384 W400 P412	W384-A414 HydrophobicContact CB-CB 3.59Å; W400-A414 VanDerWaalsContact CD1-C 3.43Å; P412-A414 VanDerWaalsContact C-N 3.34Å; P412-A414 WeakPolarHBondContact CB-O 3.35Å
415	H	97	Very high	94.9	Very high	27 Å²	27	44.2 Å²	44.2	13%	0.125	27%	0.265	C	S	.	.			trans	-65.3	138.4	171.2	-173.8	-98.6	0	0	0	109	V98 P351 N373 W400 N417 S418	V98-H415 WeakPolarHBondContact CG2-NE2 3.23Å; P351-H415 WeakPolarHBondContact CG-O 3.24Å; N373-H415 HydrophobicContact CB-CB 3.73Å; N373-H415 PolarHBondContact O-N 2.63Å; W400-H415 HydrophobicContact CD2-CB 3.94Å; W400-H415 HydrophobicContact CE3-CB 4.28Å; W400-H415 HydrophobicContact CG-CB 4.27Å; W400-H415 AromaticContact CH2-CD2 3.78Å; W400-H415 HydrophobicContact CZ2-CB 4.32Å; W400-H415 AromaticContact CZ2-CD2 3.65Å; H415-N417 PolarHBondContact ND1-N 3.06Å; H415-N417 VanDerWaalsContact ND1-N 3.16Å; H415-N417 PolarHBondContact O-N 2.89Å; H415-S418 WeakPolarHBondContact O-CB 3.36Å; H415-S418 PolarHBondContact O-N 3.05Å; H415-S418 PolarHBondContact O-OG 3.43Å
416	P	93.8	Very high	95	Very high	65 Å²	65	43.4 Å²	43.4	42%	0.422	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-18.5	-179.2	-29.1	36.8	0	0	0	115.4	P412 A480	P412-P416 HydrophobicContact CG-CG 4.41Å; P416-A480 HydrophobicContact CB-CB 3.65Å
417	N	93.8	Very high	95.3	Very high	4 Å²	4	41.5 Å²	41.5	2%	0.021	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.7	28.4	173.2	-176.9	53.5	0	0	0	111.7	V98 Y249 H415 R419 A480	V98-N417 PolarHBondContact O-ND2 3.22Å; Y249-N417 PolarHBondContact OH-ND2 3.1Å; Y249-N417 PolarHBondContact OH-O 2.82Å; H415-N417 PolarHBondContact ND1-N 3.06Å; H415-N417 VanDerWaalsContact ND1-N 3.16Å; H415-N417 PolarHBondContact O-N 2.89Å; N417-R419 PolarHBondContact OD1-NE 3.37Å; N417-R419 PolarHBondContact OD1-NH2 3.01Å; N417-A480 VanDerWaalsContact CB-O 3.26Å; N417-A480 WeakPolarHBondContact CB-O 3.28Å
418	S	97.6	Very high	95.9	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	24%	0.24	C	C	.	.			trans	-62	153.8	167.8	55.5	0	0	0	0	110.7	A350 P351 T372 N373 H415	A350-S418 PolarHBondContact N-O 3.07Å; P351-S418 VanDerWaalsContact CD-OG 3.22Å; P351-S418 WeakPolarHBondContact CD-OG 3.32Å; P351-S418 VanDerWaalsContact CG-OG 3.32Å; P351-S418 WeakPolarHBondContact CG-OG 3.26Å; T372-S418 VanDerWaalsContact O-CA 3.3Å; T372-S418 WeakPolarHBondContact O-CA 3.39Å; T372-S418 WeakPolarHBondContact O-CB 3.42Å; N373-S418 VanDerWaalsContact C-CB 3.45Å; N373-S418 WeakPolarHBondContact O-CB 3.47Å; H415-S418 WeakPolarHBondContact O-CB 3.36Å; H415-S418 PolarHBondContact O-N 3.05Å; H415-S418 PolarHBondContact O-OG 3.43Å
419	R	98.4	Very high	96.4	Very high	30 Å²	30	33.4 Å²	33.4	11%	0.113	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	150.6	-165.9	-63.2	-72.2	179.2	153.8	-6.2	111.5	Y249 F347 G348 V349 F371 T372 N417	Y249-R419 WeakPolarHBondContact OH-CG 3.39Å; F347-R419 HydrophobicContact CD1-CG 4.13Å; F347-R419 HydrophobicContact CD2-CB 4.31Å; F347-R419 HydrophobicContact CE1-CB 4.09Å; F347-R419 HydrophobicContact CE1-CG 3.55Å; F347-R419 HydrophobicContact CE2-CB 3.81Å; F347-R419 HydrophobicContact CE2-CG 4.21Å; F347-R419 HydrophobicContact CZ-CB 3.69Å; F347-R419 HydrophobicContact CZ-CG 3.6Å; F347-R419 PolarHBondContact O-NH1 3.36Å; G348-R419 VanDerWaalsContact O-CA 3.23Å; G348-R419 WeakPolarHBondContact O-CA 3.47Å; G348-R419 WeakPolarHBondContact O-CD 3.18Å; V349-R419 VanDerWaalsContact CG2-CZ 3.43Å; F371-R419 WeakPolarHBondContact CA-O 3.43Å; T372-R419 PolarHBondContact N-O 3.01Å; T372-R419 PolarHBondContact O-N 3.39Å; N417-R419 PolarHBondContact OD1-NE 3.37Å; N417-R419 PolarHBondContact OD1-NH2 3.01Å
420	F	98.6	Very high	97	Very high	1 Å²	1	31 Å²	31	0%	0.004	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	143.5	155.7	54.4	-101.5	0	0	0	108.9	F346 F347 G348 A350 T353 A361 I365 T369 I370 F371 T422	F346-F420 HydrophobicContact CB-CE2 4.38Å; F347-F420 CarbonylContact C-O 3.54Å; F347-F420 VanDerWaalsContact CA-O 3.29Å; F347-F420 WeakPolarHBondContact CA-O 3.48Å; G348-F420 PolarHBondContact N-O 3.38Å; G348-F420 VanDerWaalsContact N-O 3.08Å; G348-F420 PolarHBondContact O-N 3.38Å; G348-F420 VanDerWaalsContact O-N 3.1Å; A350-F420 HydrophobicContact CB-CD1 4.13Å; T353-F420 HydrophobicContact CG2-CE1 4.49Å; A361-F420 HydrophobicContact CB-CZ 4.37Å; I365-F420 HydrophobicContact CG2-CB 4.03Å; I365-F420 HydrophobicContact CG2-CD1 4.2Å; I365-F420 HydrophobicContact CG2-CD2 3.59Å; I365-F420 HydrophobicContact CG2-CE2 4.02Å; I365-F420 HydrophobicContact CG2-CG 3.68Å; I365-F420 HydrophobicContact CG2-CZ 4.49Å; T369-F420 HydrophobicContact CG2-CB 3.98Å; I370-F420 CarbonylContact O-C 3.45Å; F371-F420 HydrophobicContact CD1-CB 3.83Å; F371-F420 HydrophobicContact CE1-CB 3.76Å; F420-T422 HydrophobicContact CD2-CG2 3.93Å; F420-T422 HydrophobicContact CE2-CG2 4.25Å
421	C	98.9	Very high	97.5	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	101.1	175.8	-172.8	0	0	0	0	107.4	F346 F347 T369 I370	F346-C421 WeakPolarHBondContact O-CA 3.37Å; F347-C421 HydrophobicContact CD2-CB 3.83Å; F347-C421 HydrophobicContact CE2-CB 4.14Å; T369-C421 WeakPolarHBondContact CA-O 3.16Å; I370-C421 HydrophobicContact CB-CB 4.28Å; I370-C421 PolarHBondContact N-O 2.96Å; I370-C421 WeakPolarHBondContact O-CB 3.22Å; I370-C421 PolarHBondContact O-N 3.04Å
422	T	98.9	Very high	97.8	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	144.1	-170.7	-175.8	0	0	0	0	111.9	V186 G345 F346 T364 I365 T369 F420 Q426	V186-T422 WeakPolarHBondContact CG1-O 3.3Å; G345-T422 CarbonylContact C-O 3.58Å; G345-T422 WeakPolarHBondContact CA-O 3.39Å; F346-T422 HydrophobicContact CB-CG2 3.95Å; F346-T422 HydrophobicContact CD2-CG2 4.03Å; F346-T422 PolarHBondContact N-O 3.29Å; F346-T422 PolarHBondContact O-N 3.39Å; T364-T422 HydrophobicContact CG2-CG2 3.74Å; T364-T422 PolarHBondContact O-OG1 3.47Å; I365-T422 HydrophobicContact CG2-CG2 4.07Å; T369-T422 WeakPolarHBondContact OG1-CB 3.44Å; T369-T422 PolarHBondContact OG1-OG1 2.84Å; T369-T422 VanDerWaalsContact OG1-OG1 3.13Å; F420-T422 HydrophobicContact CD2-CG2 3.93Å; F420-T422 HydrophobicContact CE2-CG2 4.25Å; T422-Q426 PolarHBondContact OG1-NE2 3.48Å
423	P	98.8	Very high	98	Very high	24 Å²	24	27.8 Å²	27.8	16%	0.156	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	139.3	176.4	-19.8	30	0	0	0	112.2	V186 N368 S425 Q426	V186-P423 HydrophobicContact CG1-CG 4.18Å; N368-P423 HydrophobicContact CB-CG 4.43Å; N368-P423 WeakPolarHBondContact O-CD 3.43Å; P423-S425 PolarHBondContact O-N 2.94Å; P423-Q426 HydrophobicContact CB-CG 4.15Å; P423-Q426 HydrophobicContact CG-CG 4.44Å; P423-Q426 PolarHBondContact O-N 3.32Å
424	A	98.8	Very high	98.1	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-69.3	-36.1	-175.4	0	0	0	0	0	112.3	N344 F346 Q426 C427 I430 W434	N344-A424 WeakPolarHBondContact O-CB 3.48Å; N344-A424 PolarHBondContact O-N 3.29Å; F346-A424 HydrophobicContact CD2-CB 4.35Å; F346-A424 HydrophobicContact CE1-CB 4.28Å; F346-A424 VanDerWaalsContact CE2-CA 3.4Å; F346-A424 HydrophobicContact CE2-CB 3.75Å; F346-A424 HydrophobicContact CZ-CB 3.71Å; A424-Q426 PolarHBondContact O-N 3.42Å; A424-C427 WeakPolarHBondContact O-CB 3.41Å; A424-C427 PolarHBondContact O-N 3.18Å; A424-I430 HydrophobicContact CB-CD1 4.13Å; A424-W434 HydrophobicContact CB-CE3 4.16Å; A424-W434 HydrophobicContact CB-CH2 3.98Å; A424-W434 HydrophobicContact CB-CZ3 3.64Å
425	S	98.6	Very high	98.1	Very high	77 Å²	77	32.8 Å²	32.8	54%	0.538	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-58.8	-13.9	177.4	58.3	0	0	0	0	114.8	P423	P423-S425 PolarHBondContact O-N 2.94Å
426	Q	98.7	Very high	98.2	Very high	32 Å²	32	31.9 Å²	31.9	15%	0.15	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-84.7	-13.1	175.2	-60.4	-172.2	159	0	0	113.6	T364 K367 N368 T422 P423 A424	T364-Q426 HydrophobicContact CG2-CB 4Å; T364-Q426 PolarHBondContact O-NE2 2.81Å; K367-Q426 PolarHBondContact O-NE2 3.25Å; N368-Q426 VanDerWaalsContact CB-OE1 3.31Å; N368-Q426 PolarHBondContact ND2-OE1 2.93Å; T422-Q426 PolarHBondContact OG1-NE2 3.48Å; P423-Q426 HydrophobicContact CB-CG 4.15Å; P423-Q426 HydrophobicContact CG-CG 4.44Å; P423-Q426 PolarHBondContact O-N 3.32Å; A424-Q426 PolarHBondContact O-N 3.42Å
427	C	98.8	Very high	98.4	Very high	4 Å²	4	31.7 Å²	31.7	3%	0.027	18%	0.18	C	C	.	.			trans	-66.4	125.8	-178.7	-177.6	0	0	0	0	109.6	F346 T364 A424 I429 I430	F346-C427 HydrophobicContact CE2-CB 3.8Å; F346-C427 HydrophobicContact CZ-CB 4.36Å; T364-C427 HydrophobicContact CG2-CB 4.27Å; T364-C427 WeakPolarHBondContact OG1-CA 3.47Å; A424-C427 WeakPolarHBondContact O-CB 3.41Å; A424-C427 PolarHBondContact O-N 3.18Å; C427-I429 PolarHBondContact O-N 3.43Å; C427-I430 HydrophobicContact CB-CB 4.18Å; C427-I430 WeakPolarHBondContact O-CB 3.45Å; C427-I430 PolarHBondContact O-N 3.48Å
428	P	98.8	Very high	98.6	Very high	81 Å²	81	35.9 Å²	35.9	53%	0.526	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-13.8	-175.1	27.4	-36.8	0	0	0	113.4	N360 A363 T364	N360-P428 HydrophobicContact CB-CG 4.24Å; A363-P428 HydrophobicContact CB-CG 4.2Å; T364-P428 WeakPolarHBondContact OG1-CD 3.46Å
429	I	98.8	Very high	98.6	Very high	29 Å²	29	36 Å²	36	15%	0.149	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.6	25.7	177.8	61.7	160.1	0	0	0	111.6	M309 E320 C321 N360 C427 D431	M309-I429 HydrophobicContact CB-CD1 4.26Å; E320-I429 CarbonylContact C-O 3.57Å; E320-I429 WeakPolarHBondContact CA-O 3.44Å; C321-I429 PolarHBondContact N-O 3.28Å; N360-I429 HydrophobicContact CB-CD1 4.27Å; N360-I429 HydrophobicContact CB-CG1 4.24Å; N360-I429 VanDerWaalsContact ND2-CD1 3.27Å; N360-I429 WeakPolarHBondContact ND2-CD1 3.47Å; C427-I429 PolarHBondContact O-N 3.43Å; I429-D431 PolarHBondContact O-N 3.45Å
430	I	98.9	Very high	98.6	Very high	34 Å²	34	34.8 Å²	34.8	17%	0.174	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-57.9	132.8	172	-162	72.7	0	0	0	109.2	C321 F346 A424 C427 W434	C321-I430 VanDerWaalsContact O-CD1 3.29Å; C321-I430 WeakPolarHBondContact O-CD1 3.14Å; F346-I430 HydrophobicContact CZ-CD1 4.06Å; A424-I430 HydrophobicContact CB-CD1 4.13Å; C427-I430 HydrophobicContact CB-CB 4.18Å; C427-I430 WeakPolarHBondContact O-CB 3.45Å; C427-I430 PolarHBondContact O-N 3.48Å; I430-W434 HydrophobicContact CD1-CB 4.14Å; I430-W434 HydrophobicContact CD1-CD2 3.89Å; I430-W434 HydrophobicContact CD1-CE3 4.2Å; I430-W434 HydrophobicContact CD1-CG 3.89Å; I430-W434 HydrophobicContact CG1-CB 3.97Å; I430-W434 HydrophobicContact CG1-CD2 3.72Å; I430-W434 HydrophobicContact CG1-CG 3.44Å; I430-W434 VanDerWaalsContact CG1-CG 3.44Å
431	D	98.9	Very high	98.6	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.208	C	C	.	.			trans	-66.3	137.4	-179.2	-166.5	-81.1	0	0	0	110.1	K291 Y293 E320 C321 V322 I429 Q433 W434	K291-D431 VanDerWaalsContact CE-OD2 3.23Å; K291-D431 WeakPolarHBondContact CE-OD2 3.37Å; K291-D431 IonicContact NZ-OD1 2.77Å; K291-D431 IonicContact NZ-OD2 3.94Å; K291-D431 PolarHBondContact NZ-OD2 2.79Å; Y293-D431 VanDerWaalsContact CE1-OD2 3.32Å; Y293-D431 WeakPolarHBondContact CE1-OD2 3.31Å; Y293-D431 PolarHBondContact OH-OD1 3.46Å; Y293-D431 PolarHBondContact OH-OD2 2.88Å; E320-D431 HydrophobicContact CB-CB 3.95Å; E320-D431 WeakPolarHBondContact CB-OD2 3.45Å; C321-D431 WeakPolarHBondContact O-CB 3.3Å; C321-D431 PolarHBondContact O-N 2.63Å; V322-D431 HydrophobicContact CG2-CB 3.55Å; I429-D431 PolarHBondContact O-N 3.45Å; D431-Q433 PolarHBondContact O-N 3.18Å; D431-Q433 VanDerWaalsContact O-N 3.1Å; D431-Q433 WeakPolarHBondContact OD1-CA 3.42Å; D431-Q433 WeakPolarHBondContact OD1-CB 3.25Å; D431-Q433 PolarHBondContact OD1-N 3.43Å; D431-W434 HydrophobicContact CB-CB 4.33Å; D431-W434 VanDerWaalsContact O-CB 3.29Å; D431-W434 WeakPolarHBondContact O-CB 3.5Å; D431-W434 PolarHBondContact O-N 3.45Å
432	P	98.6	Very high	98.6	Very high	92 Å²	92	36.9 Å²	36.9	60%	0.597	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-24.8	178	23.9	-34.7	0	0	0	113.4	E320	E320-P432 WeakPolarHBondContact OE1-CD 3.49Å
433	Q	98.6	Very high	98.6	Very high	83 Å²	83	39.5 Å²	39.5	39%	0.388	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	14	177.8	-59.7	-68.8	96.3	0	0	112.8	D431 E435 S436 E438 V440	D431-Q433 PolarHBondContact O-N 3.18Å; D431-Q433 VanDerWaalsContact O-N 3.1Å; D431-Q433 WeakPolarHBondContact OD1-CA 3.42Å; D431-Q433 WeakPolarHBondContact OD1-CB 3.25Å; D431-Q433 PolarHBondContact OD1-N 3.43Å; Q433-E435 PolarHBondContact O-N 2.8Å; Q433-S436 WeakPolarHBondContact O-CB 3.39Å; Q433-S436 PolarHBondContact O-N 2.9Å; Q433-E438 PolarHBondContact NE2-OE1 2.84Å; Q433-V440 HydrophobicContact CB-CG1 3.79Å
434	W	98.8	Very high	98.6	Very high	24 Å²	24	38.3 Å²	38.3	9%	0.091	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-26.9	-176.5	81.2	-73.3	0	0	0	114.1	N344 A424 I430 D431	N344-W434 WeakPolarHBondContact OD1-CH2 3.39Å; A424-W434 HydrophobicContact CB-CE3 4.16Å; A424-W434 HydrophobicContact CB-CH2 3.98Å; A424-W434 HydrophobicContact CB-CZ3 3.64Å; I430-W434 HydrophobicContact CD1-CB 4.14Å; I430-W434 HydrophobicContact CD1-CD2 3.89Å; I430-W434 HydrophobicContact CD1-CE3 4.2Å; I430-W434 HydrophobicContact CD1-CG 3.89Å; I430-W434 HydrophobicContact CG1-CB 3.97Å; I430-W434 HydrophobicContact CG1-CD2 3.72Å; I430-W434 HydrophobicContact CG1-CG 3.44Å; I430-W434 VanDerWaalsContact CG1-CG 3.44Å; D431-W434 HydrophobicContact CB-CB 4.33Å; D431-W434 VanDerWaalsContact O-CB 3.29Å; D431-W434 WeakPolarHBondContact O-CB 3.5Å; D431-W434 PolarHBondContact O-N 3.45Å
435	E	98.5	Very high	98.6	Very high	81 Å²	81	38.3 Å²	38.3	38%	0.379	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.6	15.8	172.3	-49.2	-161.5	95.6	0	0	113.9	P162 R189 Q433 P437	P162-E435 HydrophobicContact CB-CB 4.37Å; P162-E435 WeakPolarHBondContact CB-O 3.32Å; P162-E435 HydrophobicContact CG-CB 4.07Å; P162-E435 VanDerWaalsContact CG-O 3.28Å; P162-E435 WeakPolarHBondContact CG-O 3.36Å; R189-E435 IonicContact CZ-OE1 3.62Å; R189-E435 VanDerWaalsContact CZ-OE1 3.29Å; R189-E435 IonicContact NE-OE1 2.7Å; R189-E435 PolarHBondContact NE-OE1 2.97Å; R189-E435 IonicContact NH2-OE1 3.23Å; R189-E435 PolarHBondContact NH2-OE1 3.41Å; Q433-E435 PolarHBondContact O-N 2.8Å; E435-P437 WeakPolarHBondContact O-CD 3.2Å
436	S	98.4	Very high	98.7	Very high	9 Å²	9	34.7 Å²	34.7	6%	0.063	19%	0.189	C	C	.	.			trans	-57.4	123.5	174.3	156.5	0	0	0	0	110	Q433 E438 G439	Q433-S436 WeakPolarHBondContact O-CB 3.39Å; Q433-S436 PolarHBondContact O-N 2.9Å; S436-E438 VanDerWaalsContact C-N 3.27Å; S436-E438 PolarHBondContact O-N 3Å; S436-E438 WeakPolarHBondContact OG-CG 3.31Å; S436-E438 PolarHBondContact OG-OE1 3.4Å; S436-E438 PolarHBondContact OG-OE2 2.98Å; S436-E438 VanDerWaalsContact OG-OE2 3.12Å; S436-G439 PolarHBondContact O-N 3.49Å; S436-G439 PolarHBondContact OG-N 2.85Å
437	P	97.8	Very high	98.7	Very high	61 Å²	61	33.2 Å²	33.2	40%	0.396	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-28.9	-178.2	25.8	-33.3	0	0	0	112.5	S165 P166 E435 G439	S165-P437 PolarHBondContact OG-O 2.7Å; P166-P437 WeakPolarHBondContact CD-O 3.5Å; E435-P437 WeakPolarHBondContact O-CD 3.2Å; P437-G439 VanDerWaalsContact C-N 3.33Å
438	E	97.4	Very high	98.6	Very high	92 Å²	92	33 Å²	33	43%	0.43	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-18.4	175.9	67.8	-78.4	175.4	0	0	113.9	R338 Q433 S436	R338-E438 WeakPolarHBondContact CB-O 3.3Å; Q433-E438 PolarHBondContact NE2-OE1 2.84Å; S436-E438 VanDerWaalsContact C-N 3.27Å; S436-E438 PolarHBondContact O-N 3Å; S436-E438 WeakPolarHBondContact OG-CG 3.31Å; S436-E438 PolarHBondContact OG-OE1 3.4Å; S436-E438 PolarHBondContact OG-OE2 2.98Å; S436-E438 VanDerWaalsContact OG-OE2 3.12Å
439	G	98.4	Very high	98.6	Very high	2 Å²	2	29.3 Å²	29.3	2%	0.021	16%	0.157	C	C	.	.			trans	73.2	168.4	-176.3	0	0	0	0	0	114.3	R338 A339 S436 P437	R338-G439 WeakPolarHBondContact CD-O 3.39Å; R338-G439 PolarHBondContact NH1-O 3.05Å; R338-G439 VanDerWaalsContact NH1-O 3.13Å; A339-G439 CarbonylContact O-C 3.58Å; A339-G439 WeakPolarHBondContact O-CA 3.27Å; S436-G439 PolarHBondContact O-N 3.49Å; S436-G439 PolarHBondContact OG-N 2.85Å; P437-G439 VanDerWaalsContact C-N 3.33Å
440	V	98.9	Very high	98.4	Very high	4 Å²	4	31.3 Å²	31.3	2%	0.024	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	142.9	-175.6	-60.2	0	0	0	0	111.4	I281 Y293 V322 R338 A339 Q433 I442	I281-V440 HydrophobicContact CG2-CG2 3.7Å; Y293-V440 HydrophobicContact CD1-CB 3.65Å; Y293-V440 HydrophobicContact CD1-CG1 3.96Å; Y293-V440 HydrophobicContact CD1-CG2 3.6Å; Y293-V440 HydrophobicContact CD2-CB 3.81Å; Y293-V440 HydrophobicContact CD2-CG1 4.42Å; Y293-V440 HydrophobicContact CD2-CG2 4.45Å; Y293-V440 HydrophobicContact CE1-CB 3.76Å; Y293-V440 HydrophobicContact CE1-CG1 3.54Å; Y293-V440 HydrophobicContact CE1-CG2 4.07Å; Y293-V440 HydrophobicContact CE2-CB 3.92Å; Y293-V440 HydrophobicContact CE2-CG1 4.05Å; Y293-V440 HydrophobicContact CG-CB 3.65Å; Y293-V440 HydrophobicContact CG-CG1 4.37Å; Y293-V440 HydrophobicContact CG-CG2 3.8Å; V322-V440 HydrophobicContact CG2-CG1 4.32Å; V322-V440 HydrophobicContact CG2-CG2 4.4Å; R338-V440 CarbonylContact C-O 3.57Å; R338-V440 WeakPolarHBondContact CA-O 3.38Å; A339-V440 HydrophobicContact CB-CG2 4.4Å; A339-V440 PolarHBondContact N-O 2.97Å; A339-V440 PolarHBondContact O-N 3.27Å; Q433-V440 HydrophobicContact CB-CG1 3.79Å; V440-I442 HydrophobicContact CG2-CD1 4.25Å; V440-I442 PolarHBondContact O-N 3Å
441	P	98.8	Very high	98.4	Very high	39 Å²	39	30.4 Å²	30.4	25%	0.253	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	113.7	-177.9	31.1	-33.4	0	0	0	111.6	Y293 N336	Y293-P441 WeakPolarHBondContact CB-O 3.35Å; Y293-P441 HydrophobicContact CD2-CG 4.37Å; N336-P441 HydrophobicContact CB-CB 4.28Å
442	I	98.9	Very high	98.2	Very high	6 Å²	6	31.6 Å²	31.6	3%	0.031	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	123.8	178.9	-57.4	-56.6	0	0	0	110.7	I281 A295 M329 L337 A339 V440 A444 I445 P523	I281-I442 HydrophobicContact CG2-CD1 3.96Å; A295-I442 HydrophobicContact CB-CD1 4.27Å; A295-I442 HydrophobicContact CB-CG2 4.14Å; M329-I442 HydrophobicContact SD-CG1 4.32Å; L337-I442 HydrophobicContact CB-CB 4.4Å; L337-I442 HydrophobicContact CD2-CB 4.3Å; L337-I442 HydrophobicContact CD2-CG2 4.48Å; L337-I442 HydrophobicContact CG-CB 4.4Å; L337-I442 PolarHBondContact O-N 2.79Å; A339-I442 HydrophobicContact CB-CD1 3.68Å; A339-I442 HydrophobicContact CB-CG1 3.51Å; V440-I442 HydrophobicContact CG2-CD1 4.25Å; V440-I442 PolarHBondContact O-N 3Å; I442-A444 VanDerWaalsContact CG2-O 3.31Å; I442-A444 WeakPolarHBondContact CG2-O 3.44Å; I442-I445 HydrophobicContact CG2-CG1 4.08Å; I442-P523 HydrophobicContact CG2-CB 4.25Å
443	E	98.9	Very high	98	Very high	55 Å²	55	33.6 Å²	33.6	26%	0.257	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	-19.2	179.6	-67.3	175.5	-111.7	0	0	112.9	K292 Y293 P523 K524 V558	K292-E443 WeakPolarHBondContact CA-OE1 3.5Å; K292-E443 WeakPolarHBondContact CB-OE1 3.38Å; K292-E443 WeakPolarHBondContact CD-OE2 3.11Å; K292-E443 WeakPolarHBondContact CG-OE1 3.28Å; K292-E443 IonicContact NZ-OE2 3.76Å; K292-E443 PolarHBondContact NZ-OE2 2.8Å; Y293-E443 PolarHBondContact O-N 2.79Å; E443-P523 VanDerWaalsContact C-CB 3.44Å; E443-P523 VanDerWaalsContact O-CA 3.3Å; E443-P523 WeakPolarHBondContact O-CA 3.4Å; E443-P523 WeakPolarHBondContact O-CB 3.33Å; E443-K524 PolarHBondContact O-N 2.75Å; E443-V558 HydrophobicContact CB-CG1 4.03Å; E443-V558 WeakPolarHBondContact OE2-CG1 3.44Å
444	A	98.9	Very high	97.9	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	143.1	174.5	0	0	0	0	0	112.4	M294 A295 I442 K524 F526 V558	M294-A444 WeakPolarHBondContact CA-O 3.3Å; M294-A444 HydrophobicContact CB-CB 4.39Å; M294-A444 HydrophobicContact CE-CB 4.46Å; M294-A444 HydrophobicContact CG-CB 3.95Å; M294-A444 HydrophobicContact SD-CB 4.19Å; A295-A444 PolarHBondContact N-O 3.4Å; I442-A444 VanDerWaalsContact CG2-O 3.31Å; I442-A444 WeakPolarHBondContact CG2-O 3.44Å; A444-K524 CarbonylContact C-O 3.48Å; A444-K524 VanDerWaalsContact CA-O 3.26Å; A444-K524 WeakPolarHBondContact CA-O 3.38Å; A444-F526 HydrophobicContact CB-CD2 4.06Å; A444-F526 HydrophobicContact CB-CE2 3.78Å; A444-V558 HydrophobicContact CB-CG2 4.27Å
445	I	98.9	Very high	97.8	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	132	170.3	-62.9	179.2	0	0	0	108.3	M279 A295 L337 I442 F447 W464 W511 P523 K524 I525 F526	M279-I445 HydrophobicContact CE-CG2 3.7Å; M279-I445 HydrophobicContact SD-CG2 4.26Å; A295-I445 CarbonylContact O-C 3.59Å; A295-I445 WeakPolarHBondContact O-CA 3.45Å; L337-I445 HydrophobicContact CD2-CD1 4.21Å; I442-I445 HydrophobicContact CG2-CG1 4.08Å; I445-F447 HydrophobicContact CG2-CE1 4.32Å; I445-F447 HydrophobicContact CG2-CE2 4.17Å; I445-F447 HydrophobicContact CG2-CZ 3.93Å; I445-W464 HydrophobicContact CD1-CH2 4.46Å; I445-W511 HydrophobicContact CD1-CH2 3.84Å; I445-W511 HydrophobicContact CD1-CZ3 3.96Å; I445-P523 HydrophobicContact CD1-CG 3.6Å; I445-P523 HydrophobicContact CG1-CB 4.16Å; I445-P523 HydrophobicContact CG1-CG 3.73Å; I445-K524 PolarHBondContact N-O 3.33Å; I445-I525 HydrophobicContact CB-CG1 4.33Å; I445-I525 CarbonylContact O-C 3.48Å; I445-I525 WeakPolarHBondContact O-CA 3.3Å; I445-F526 PolarHBondContact O-N 2.74Å
446	I	98.9	Very high	97.8	Very high	1 Å²	1	25 Å²	25	1%	0.005	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	121	-174.7	-50.6	166.1	0	0	0	109.5	M294 A295 A296 A297 F298 F526 V528 L551 M554	M294-I446 HydrophobicContact CB-CD1 4.36Å; M294-I446 HydrophobicContact SD-CD1 4.14Å; A295-I446 PolarHBondContact O-N 3.14Å; A296-I446 CarbonylContact C-O 3.58Å; A296-I446 WeakPolarHBondContact CA-O 3.41Å; A296-I446 HydrophobicContact CB-CB 3.76Å; A296-I446 HydrophobicContact CB-CD1 4.38Å; A296-I446 HydrophobicContact CB-CG2 4.48Å; A297-I446 PolarHBondContact N-O 3.36Å; F298-I446 HydrophobicContact CE1-CG2 4.06Å; F298-I446 HydrophobicContact CZ-CG2 4.1Å; I446-F526 WeakPolarHBondContact CA-O 3.34Å; I446-V528 HydrophobicContact CG2-CB 4.4Å; I446-V528 HydrophobicContact CG2-CG1 3.78Å; I446-V528 HydrophobicContact CG2-CG2 3.79Å; I446-L551 HydrophobicContact CD1-CD2 3.89Å; I446-M554 HydrophobicContact CD1-CE 4.24Å; I446-M554 HydrophobicContact CD1-SD 3.53Å; I446-M554 VanDerWaalsContact CD1-SD 3.53Å; I446-M554 HydrophobicContact CG1-CE 4.18Å; I446-M554 HydrophobicContact CG1-SD 3.82Å; I446-M554 HydrophobicContact CG2-CE 4.01Å
447	F	98.9	Very high	97.8	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	158.9	170.1	-67.4	-56.6	0	0	0	111.1	M279 A297 I445 V470 M474 F494 W511 I525 F526 H527 V528	M279-F447 HydrophobicContact CE-CE1 3.78Å; M279-F447 HydrophobicContact CE-CZ 4.19Å; A297-F447 HydrophobicContact CB-CD1 3.76Å; A297-F447 HydrophobicContact CB-CE1 3.85Å; I445-F447 HydrophobicContact CG2-CE1 4.32Å; I445-F447 HydrophobicContact CG2-CE2 4.17Å; I445-F447 HydrophobicContact CG2-CZ 3.93Å; F447-V470 HydrophobicContact CD2-CG1 4.3Å; F447-M474 HydrophobicContact CB-CG 4.12Å; F447-M474 HydrophobicContact CB-SD 3.61Å; F447-M474 HydrophobicContact CD1-SD 3.33Å; F447-M474 WeakPolarHBondContact CD1-SD 3.16Å; F447-M474 HydrophobicContact CE1-SD 4.24Å; F447-M474 HydrophobicContact CG-SD 3.7Å; F447-F494 HydrophobicContact CE1-CB 4.37Å; F447-F494 AromaticContact CE1-CD1 3.51Å; F447-F494 HydrophobicContact CE1-CD1 3.51Å; F447-F494 HydrophobicContact CE1-CE1 4.02Å; F447-F494 HydrophobicContact CE1-CG 4.1Å; F447-F494 HydrophobicContact CE2-CD1 4.5Å; F447-F494 HydrophobicContact CE2-CE1 4.2Å; F447-F494 AromaticContact CZ-CD1 3.4Å; F447-F494 HydrophobicContact CZ-CD1 3.4Å; F447-F494 VanDerWaalsContact CZ-CD1 3.4Å; F447-F494 AromaticContact CZ-CE1 3.4Å; F447-F494 HydrophobicContact CZ-CE1 3.4Å; F447-F494 VanDerWaalsContact CZ-CE1 3.4Å; F447-F494 HydrophobicContact CZ-CG 4.3Å; F447-F494 HydrophobicContact CZ-CZ 4.3Å; F447-W511 HydrophobicContact CZ-CH2 4.36Å; F447-I525 HydrophobicContact CD2-CG2 3.74Å; F447-I525 HydrophobicContact CE2-CG2 3.76Å; F447-F526 PolarHBondContact N-O 2.98Å; F447-H527 HydrophobicContact CB-CB 4.49Å; F447-H527 CarbonylContact O-C 3.46Å; F447-H527 WeakPolarHBondContact O-CA 3.35Å; F447-V528 WeakPolarHBondContact O-CG2 3.2Å; F447-V528 PolarHBondContact O-N 3.36Å
448	G	98.5	Very high	97.9	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.01	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.6	164.7	176.3	0	0	0	0	0	114	A297 F298 P299 M474 V528	A297-G448 PolarHBondContact O-N 3.39Å; F298-G448 WeakPolarHBondContact CD1-O 3.24Å; P299-G448 WeakPolarHBondContact CD-O 3.38Å; G448-M474 VanDerWaalsContact O-CE 3.24Å; G448-M474 WeakPolarHBondContact O-CE 3.29Å; G448-V528 VanDerWaalsContact CA-O 3.29Å; G448-V528 WeakPolarHBondContact CA-O 3.45Å
449	G	96.8	Very high	98	Very high	3 Å²	3	17.9 Å²	17.9	3%	0.031	9%	0.089	C	C	.	.			trans	-166.3	176.4	-178	0	0	0	0	0	111.8	R451 N529	G449-R451 PolarHBondContact O-N 3.37Å; G449-N529 PolarHBondContact O-OD1 2.84Å
450	R	96.4	Very high	98	Very high	71 Å²	71	18.2 Å²	18.2	27%	0.268	9%	0.09	S	C	.	.			trans	-77.5	100.7	178.2	-69.8	169.9	177.4	-95	0.5	110	A301 S476 E477 F531	A301-R450 VanDerWaalsContact O-CZ 3.32Å; A301-R450 PolarHBondContact O-NE 3.24Å; A301-R450 PolarHBondContact O-NH2 3.32Å; R450-S476 PolarHBondContact N-OG 3.14Å; R450-E477 HydrophobicContact CB-CB 3.91Å; R450-E477 HydrophobicContact CB-CG 4.26Å; R450-E477 PolarHBondContact O-N 3.46Å; R450-F531 HydrophobicContact CB-CB 4.32Å; R450-F531 HydrophobicContact CB-CD2 4.14Å; R450-F531 HydrophobicContact CB-CG 4.16Å; R450-F531 HydrophobicContact CG-CB 4.34Å; R450-F531 HydrophobicContact CG-CD1 3.91Å; R450-F531 HydrophobicContact CG-CD2 3.59Å; R450-F531 HydrophobicContact CG-CE1 4.04Å; R450-F531 HydrophobicContact CG-CE2 3.72Å; R450-F531 HydrophobicContact CG-CG 3.67Å; R450-F531 HydrophobicContact CG-CZ 3.94Å
451	R	97.3	Very high	98	Very high	14 Å²	14	18.3 Å²	18.3	5%	0.053	9%	0.091	C	C	.	.			trans	-120.5	103.8	175.7	-62.6	-61.8	-58.5	-97	9.1	109.6	G449 E453 V455 R475 N529 F531 R532 E603	G449-R451 PolarHBondContact O-N 3.37Å; R451-E453 PolarHBondContact O-N 3.41Å; R451-V455 HydrophobicContact CB-CB 3.98Å; R451-V455 HydrophobicContact CB-CG2 3.99Å; R451-V455 HydrophobicContact CG-CB 4.27Å; R451-V455 HydrophobicContact CG-CG2 3.93Å; R451-R475 VanDerWaalsContact CD-O 3.27Å; R451-R475 WeakPolarHBondContact CD-O 3.4Å; R451-N529 PolarHBondContact N-OD1 2.97Å; R451-N529 PolarHBondContact O-ND2 3.43Å; R451-N529 PolarHBondContact O-OD1 2.82Å; R451-F531 CarbonylContact O-C 3.52Å; R451-R532 WeakPolarHBondContact O-CA 3.31Å; R451-R532 PolarHBondContact O-N 2.85Å; R451-E603 IonicContact CZ-OE1 2.73Å; R451-E603 IonicContact CZ-OE2 3.69Å; R451-E603 IonicContact NH1-OE1 2.92Å; R451-E603 PolarHBondContact NH1-OE1 3.23Å; R451-E603 IonicContact NH1-OE2 3.02Å; R451-E603 VanDerWaalsContact NH2-CD 3.34Å; R451-E603 IonicContact NH2-OE1 3.75Å; R451-E603 PolarHBondContact NH2-OE1 3.4Å; R451-E603 IonicContact NH2-OE2 2.82Å; R451-E603 PolarHBondContact NH2-OE2 3.1Å
452	P	95.3	Very high	98	Very high	26 Å²	26	19.1 Å²	19.1	17%	0.169	9%	0.091	C	C	.	.	S	Bend	trans	-67.6	-24.5	-177.4	27.6	-35.1	0	0	0	112.6	E477 K533	P452-E477 WeakPolarHBondContact CD-OE1 3.34Å; P452-E477 WeakPolarHBondContact CG-OE1 3.41Å; P452-K533 HydrophobicContact CB-CD 4.4Å; P452-K533 PolarHBondContact O-N 2.87Å
453	E	95.3	Very high	97.9	Very high	133 Å²	133	22.4 Å²	22.4	62%	0.621	11%	0.108	S	C	*	.	S	Bend	trans	-136	153.9	-172.7	-65.1	174.6	-166.1	0	0	111.9	R451 V455 F599	R451-E453 PolarHBondContact O-N 3.41Å; E453-V455 PolarHBondContact O-N 3.15Å; E453-F599 HydrophobicContact CB-CE2 4.25Å; E453-F599 WeakPolarHBondContact O-CE2 3.49Å; E453-F599 VanDerWaalsContact O-CZ 3.22Å; E453-F599 WeakPolarHBondContact O-CZ 3.46Å
454	G	95.3	Very high	97.9	Very high	5 Å²	5	20.5 Å²	20.5	5%	0.052	10%	0.099	C	C	.	.	S	Bend	trans	69.1	-29.3	165.5	0	0	0	0	0	118.9	W600	G454-W600 PolarHBondContact O-NE1 2.96Å
455	V	98.1	Very high	97.9	Very high	3 Å²	3	23.1 Å²	23.1	2%	0.018	11%	0.111	C	C	.	.			trans	-86.7	126	178.6	-177.3	0	0	0	0	110.3	R451 E453 Y459 N529 F599 W600	R451-V455 HydrophobicContact CB-CB 3.98Å; R451-V455 HydrophobicContact CB-CG2 3.99Å; R451-V455 HydrophobicContact CG-CB 4.27Å; R451-V455 HydrophobicContact CG-CG2 3.93Å; E453-V455 PolarHBondContact O-N 3.15Å; V455-Y459 HydrophobicContact CG1-CE1 4.2Å; V455-N529 HydrophobicContact CB-CB 4.39Å; V455-N529 HydrophobicContact CG1-CB 4Å; V455-N529 PolarHBondContact O-ND2 3.39Å; V455-F599 HydrophobicContact CG2-CE1 4.22Å; V455-F599 HydrophobicContact CG2-CZ 4.14Å; V455-W600 HydrophobicContact CG2-CH2 4.42Å; V455-W600 HydrophobicContact CG2-CZ2 4.42Å
456	P	98.3	Very high	97.9	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.112	C	C	.	.			trans	-73.9	166.8	-175	33.1	-38	0	0	0	112.6	V458 Y459 N529 V569 L572 L592 F593 L595	P456-V458 VanDerWaalsContact C-N 3.31Å; P456-V458 PolarHBondContact O-N 3.16Å; P456-Y459 HydrophobicContact CG-CD1 3.9Å; P456-N529 WeakPolarHBondContact O-CB 3.4Å; P456-V569 HydrophobicContact CG-CG2 4.37Å; P456-L572 HydrophobicContact CB-CD2 4.43Å; P456-L572 HydrophobicContact CG-CD2 4.05Å; P456-L592 VanDerWaalsContact CA-O 3.3Å; P456-L592 WeakPolarHBondContact CA-O 3.47Å; P456-F593 HydrophobicContact CB-CD1 3.89Å; P456-F593 HydrophobicContact CB-CE1 4.47Å; P456-L595 HydrophobicContact CB-CD2 4.48Å; P456-L595 HydrophobicContact CG-CD2 4Å
457	L	98.6	Very high	97.9	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.112	C	C	.	.	S	Bend	trans	-53.3	-45.4	-178.9	174.7	64.7	0	0	0	113.1	V528 N529 W530 W541 V550 L578 L592 F593	L457-V528 CarbonylContact O-C 3.56Å; L457-V528 WeakPolarHBondContact O-CA 3.25Å; L457-N529 PolarHBondContact O-N 3.14Å; L457-W530 HydrophobicContact CD1-CE3 3.61Å; L457-W530 HydrophobicContact CD1-CZ3 3.65Å; L457-W530 HydrophobicContact CG-CZ3 4.48Å; L457-W541 HydrophobicContact CD1-CB 4.14Å; L457-W541 HydrophobicContact CD1-CD2 3.88Å; L457-W541 HydrophobicContact CD1-CG 3.64Å; L457-W541 HydrophobicContact CD2-CD2 3.9Å; L457-W541 HydrophobicContact CD2-CE3 3.86Å; L457-W541 HydrophobicContact CD2-CH2 4.26Å; L457-W541 HydrophobicContact CD2-CZ2 4.28Å; L457-W541 HydrophobicContact CD2-CZ3 4.06Å; L457-V550 HydrophobicContact CD1-CG2 4.24Å; L457-V550 HydrophobicContact CD2-CG2 3.56Å; L457-V550 HydrophobicContact CG-CG2 3.84Å; L457-L578 HydrophobicContact CD2-CD1 4.44Å; L457-L592 HydrophobicContact CB-CD1 3.91Å; L457-L592 HydrophobicContact CB-CD2 3.9Å; L457-L592 HydrophobicContact CB-CG 3.7Å; L457-L592 HydrophobicContact CD2-CD2 3.78Å; L457-L592 HydrophobicContact CG-CD2 4.3Å; L457-L592 PolarHBondContact N-O 3.29Å; L457-F593 HydrophobicContact CB-CE1 4.09Å; L457-F593 HydrophobicContact CB-CE2 4.28Å; L457-F593 HydrophobicContact CB-CZ 3.75Å; L457-F593 HydrophobicContact CD2-CE2 4.37Å; L457-F593 HydrophobicContact CD2-CZ 4.06Å; L457-F593 HydrophobicContact CG-CZ 4.35Å
458	V	98.8	Very high	97.9	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	143.5	179.2	61.8	0	0	0	0	111	P456 H527 V528 V550 W553 M554 L572 P573 F593	P456-V458 VanDerWaalsContact C-N 3.31Å; P456-V458 PolarHBondContact O-N 3.16Å; V458-H527 CarbonylContact C-O 3.54Å; V458-H527 VanDerWaalsContact CA-O 3.27Å; V458-H527 WeakPolarHBondContact CA-O 3.06Å; V458-V528 HydrophobicContact CB-CG1 4.23Å; V458-V528 HydrophobicContact CG2-CG1 4.01Å; V458-V550 HydrophobicContact CB-CG1 3.75Å; V458-V550 HydrophobicContact CG1-CG1 4.06Å; V458-V550 HydrophobicContact CG2-CG1 3.8Å; V458-W553 HydrophobicContact CG1-CE3 4.18Å; V458-W553 HydrophobicContact CG1-CZ3 4.26Å; V458-W553 HydrophobicContact CG2-CE3 3.96Å; V458-W553 HydrophobicContact CG2-CZ3 3.65Å; V458-M554 HydrophobicContact CG2-CE 3.48Å; V458-M554 VanDerWaalsContact CG2-CE 3.48Å; V458-L572 WeakPolarHBondContact O-CD2 3.5Å; V458-P573 HydrophobicContact CG1-CG 3.6Å; V458-F593 HydrophobicContact CG1-CE1 4.02Å; V458-F593 HydrophobicContact CG1-CZ 4.1Å
459	Y	98.8	Very high	98	Very high	13 Å²	13	23.5 Å²	23.5	5%	0.051	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	149	164.6	62.7	-87.7	0	0	0	111.3	V455 P456 V470 F526 H527 V569 Y571	V455-Y459 HydrophobicContact CG1-CE1 4.2Å; P456-Y459 HydrophobicContact CG-CD1 3.9Å; Y459-V470 HydrophobicContact CE2-CG1 4.05Å; Y459-V470 HydrophobicContact CE2-CG2 3.84Å; Y459-F526 CarbonylContact O-C 3.57Å; Y459-F526 VanDerWaalsContact O-CA 3.29Å; Y459-F526 WeakPolarHBondContact O-CA 3.45Å; Y459-H527 HydrophobicContact CD1-CB 4.01Å; Y459-H527 HydrophobicContact CD2-CB 4.24Å; Y459-H527 HydrophobicContact CE1-CB 3.45Å; Y459-H527 VanDerWaalsContact CE1-CB 3.45Å; Y459-H527 AromaticContact CE1-CG 3.46Å; Y459-H527 VanDerWaalsContact CE1-CG 3.46Å; Y459-H527 AromaticContact CE1-ND1 3.35Å; Y459-H527 WeakPolarHBondContact CE1-ND1 3.36Å; Y459-H527 HydrophobicContact CE2-CB 3.7Å; Y459-H527 HydrophobicContact CG-CB 4.38Å; Y459-H527 AromaticContact CZ-CG 3.45Å; Y459-H527 VanDerWaalsContact CZ-CG 3.45Å; Y459-H527 AromaticContact CZ-ND1 3.84Å; Y459-H527 PolarHBondContact N-O 2.84Å; Y459-H527 PolarHBondContact O-N 3.27Å; Y459-H527 WeakPolarHBondContact OH-CB 3.46Å; Y459-H527 PolarHBondContact OH-CD2 3.29Å; Y459-V569 HydrophobicContact CD1-CG2 4.17Å; Y459-V569 HydrophobicContact CD2-CB 4.43Å; Y459-V569 HydrophobicContact CD2-CG2 4.19Å; Y459-V569 WeakPolarHBondContact CD2-O 3.41Å; Y459-V569 HydrophobicContact CE2-CB 4.47Å; Y459-V569 VanDerWaalsContact CE2-O 3.31Å; Y459-V569 WeakPolarHBondContact CE2-O 3.35Å; Y459-V569 HydrophobicContact CG-CG2 3.93Å; Y459-Y571 CarbonylContact C-O 3.56Å; Y459-Y571 VanDerWaalsContact CA-O 3.31Å; Y459-Y571 WeakPolarHBondContact CA-O 3.18Å
460	E	98.9	Very high	98.1	Very high	8 Å²	8	23.5 Å²	23.5	4%	0.037	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	138.1	173.2	-175.3	-172.6	163.3	0	0	109.9	K524 F526 W553 R557 G570 Y571	E460-K524 WeakPolarHBondContact OE1-CD 3.45Å; E460-K524 IonicContact OE1-NZ 2.81Å; E460-K524 PolarHBondContact OE1-NZ 2.99Å; E460-F526 HydrophobicContact CB-CD1 3.62Å; E460-F526 HydrophobicContact CB-CE1 3.59Å; E460-F526 HydrophobicContact CG-CD1 3.93Å; E460-F526 HydrophobicContact CG-CE1 3.6Å; E460-F526 HydrophobicContact CG-CZ 4.19Å; E460-W553 HydrophobicContact CB-CH2 4.07Å; E460-R557 IonicContact OE1-NH2 2.85Å; E460-R557 PolarHBondContact OE1-NH2 2.84Å; E460-R557 IonicContact OE2-CZ 3.49Å; E460-R557 IonicContact OE2-NE 3.24Å; E460-R557 PolarHBondContact OE2-NE 3.45Å; E460-R557 IonicContact OE2-NH2 2.84Å; E460-R557 PolarHBondContact OE2-NH2 3.07Å; E460-G570 CarbonylContact O-C 3.55Å; E460-G570 WeakPolarHBondContact O-CA 3.16Å; E460-Y571 HydrophobicContact CB-CD2 4.45Å; E460-Y571 PolarHBondContact N-O 3.34Å; E460-Y571 PolarHBondContact O-N 3.4Å
461	A	98.8	Very high	98.2	Very high	7 Å²	7	20.1 Å²	20.1	6%	0.058	10%	0.099	C	C	.	.			trans	-69.1	149.2	173.9	0	0	0	0	0	112	N463 H466 I525	A461-N463 VanDerWaalsContact C-N 3.33Å; A461-N463 PolarHBondContact O-N 2.7Å; A461-H466 WeakPolarHBondContact CA-ND1 3.49Å; A461-I525 HydrophobicContact CB-CB 4.13Å; A461-I525 HydrophobicContact CB-CG2 4.26Å; A461-I525 PolarHBondContact N-O 3.15Å
462	F	98.6	Very high	98.2	Very high	56 Å²	56	19.5 Å²	19.5	25%	0.246	10%	0.097	C	C	.	.	S	Bend	trans	-65.6	-33.3	-179.5	-63.1	-60.7	0	0	0	114.5	H466 S567 Y571	F462-H466 HydrophobicContact CB-CB 4.34Å; F462-H466 AromaticContact CD2-CE1 3.63Å; F462-H466 AromaticContact CD2-CG 3.85Å; F462-H466 AromaticContact CD2-ND1 3.62Å; F462-H466 AromaticContact CD2-NE2 3.86Å; F462-H466 AromaticContact CE2-CE1 3.95Å; F462-H466 PolarHBondContact N-ND1 2.83Å; F462-S567 WeakPolarHBondContact CZ-O 3.18Å; F462-Y571 AromaticContact CD1-CD2 3.98Å; F462-Y571 HydrophobicContact CD1-CD2 3.98Å; F462-Y571 HydrophobicContact CD1-CE1 4.28Å; F462-Y571 AromaticContact CD1-CE2 3.55Å; F462-Y571 HydrophobicContact CD1-CE2 3.55Å; F462-Y571 AromaticContact CD1-CZ 3.69Å; F462-Y571 HydrophobicContact CE1-CD1 4.47Å; F462-Y571 HydrophobicContact CE1-CD2 4.38Å; F462-Y571 HydrophobicContact CE1-CE1 4.31Å; F462-Y571 HydrophobicContact CE1-CE2 4.24Å; F462-Y571 HydrophobicContact CE1-CG 4.49Å; F462-Y571 HydrophobicContact CG-CE2 4.49Å
463	N	98.5	Very high	98.4	Very high	75 Å²	75	19.2 Å²	19.2	40%	0.401	10%	0.095	S	C	.	.	S	Bend	trans	-164.5	-179.9	-179.2	53.1	47.2	0	0	0	109	A461 Q465 H466 G467	A461-N463 VanDerWaalsContact C-N 3.33Å; A461-N463 PolarHBondContact O-N 2.7Å; N463-Q465 PolarHBondContact O-N 2.85Å; N463-Q465 PolarHBondContact OD1-N 2.56Å; N463-Q465 PolarHBondContact OD1-OE1 3.26Å; N463-H466 PolarHBondContact O-N 2.73Å; N463-H466 WeakPolarHBondContact OD1-CB 3.35Å; N463-H466 PolarHBondContact OD1-N 3.06Å; N463-G467 PolarHBondContact O-N 2.99Å
464	W	98.8	Very high	98.6	Very high	15 Å²	15	13 Å²	13	6%	0.057	7%	0.066	C	C	.	.	H	α-helix	trans	-57.3	-48.9	-178.9	-175.2	-104.4	0	0	0	112.8	I445 H466 G467 V468 W511 M514 A515 L522 P523 I525	I445-W464 HydrophobicContact CD1-CH2 4.46Å; W464-H466 VanDerWaalsContact C-N 3.34Å; W464-H466 PolarHBondContact O-N 3.09Å; W464-G467 CarbonylContact O-C 3.47Å; W464-G467 WeakPolarHBondContact O-CA 3.49Å; W464-G467 PolarHBondContact O-N 2.98Å; W464-V468 WeakPolarHBondContact O-CG2 3.33Å; W464-V468 PolarHBondContact O-N 3.11Å; W464-W511 AromaticContact CH2-CE3 3.96Å; W464-W511 HydrophobicContact CH2-CE3 3.96Å; W464-W511 AromaticContact CH2-CZ3 3.74Å; W464-W511 HydrophobicContact CH2-CZ3 3.74Å; W464-W511 AromaticContact CZ2-CE3 3.64Å; W464-W511 HydrophobicContact CZ2-CE3 3.64Å; W464-W511 AromaticContact CZ2-CZ3 3.95Å; W464-W511 HydrophobicContact CZ2-CZ3 3.95Å; W464-W511 PolarHBondContact NE1-O 3.14Å; W464-M514 HydrophobicContact CZ2-CB 3.82Å; W464-M514 HydrophobicContact CZ2-CG 4.38Å; W464-A515 HydrophobicContact CG-CB 4.24Å; W464-L522 HydrophobicContact CB-CD1 3.84Å; W464-L522 HydrophobicContact CD2-CB 4.5Å; W464-L522 HydrophobicContact CD2-CD1 4.05Å; W464-L522 HydrophobicContact CD2-CD2 4.11Å; W464-L522 HydrophobicContact CD2-CG 4.45Å; W464-L522 HydrophobicContact CE3-CB 3.87Å; W464-L522 HydrophobicContact CE3-CD1 4.24Å; W464-L522 HydrophobicContact CE3-CD2 4.1Å; W464-L522 HydrophobicContact CE3-CG 4.29Å; W464-L522 HydrophobicContact CG-CD1 3.89Å; W464-L522 HydrophobicContact CH2-CD2 4.46Å; W464-L522 HydrophobicContact CZ2-CD2 4.47Å; W464-L522 HydrophobicContact CZ3-CB 4.25Å; W464-L522 HydrophobicContact CZ3-CD2 4.27Å; W464-P523 HydrophobicContact CZ3-CG 3.98Å; W464-I525 HydrophobicContact CD2-CD1 4.22Å; W464-I525 HydrophobicContact CE3-CD1 3.6Å; W464-I525 HydrophobicContact CE3-CG1 4.32Å; W464-I525 HydrophobicContact CH2-CD1 4.34Å; W464-I525 HydrophobicContact CZ3-CD1 3.67Å; W464-I525 HydrophobicContact CZ3-CG1 4.19Å
465	Q	98.8	Very high	98.6	Very high	55 Å²	55	14.1 Å²	14.1	26%	0.257	7%	0.068	S	C	.	.	H	α-helix	trans	-63.2	-41.5	-177.3	-63.7	75.7	12.9	0	0	111.7	N463 G467 V468 F469 L512 E622 M623	N463-Q465 PolarHBondContact O-N 2.85Å; N463-Q465 PolarHBondContact OD1-N 2.56Å; N463-Q465 PolarHBondContact OD1-OE1 3.26Å; Q465-G467 VanDerWaalsContact C-N 3.32Å; Q465-V468 PolarHBondContact O-N 3.42Å; Q465-F469 PolarHBondContact O-N 2.9Å; Q465-L512 HydrophobicContact CB-CD2 4.16Å; Q465-L512 HydrophobicContact CG-CD2 3.92Å; Q465-E622 HydrophobicContact CB-CG 3.73Å; Q465-E622 WeakPolarHBondContact CB-OE1 3.43Å; Q465-E622 HydrophobicContact CG-CG 3.75Å; Q465-M623 WeakPolarHBondContact O-CE 3.39Å
466	H	98.9	Very high	98.5	Very high	4 Å²	4	14.2 Å²	14.2	2%	0.019	7%	0.069	C	C	.	.	H	α-helix	trans	-63.8	-38.2	171.9	-176.3	-108.4	0	0	0	111.6	A461 F462 N463 W464 F469 V470 V569 Q626 R633	A461-H466 WeakPolarHBondContact CA-ND1 3.49Å; F462-H466 HydrophobicContact CB-CB 4.34Å; F462-H466 AromaticContact CD2-CE1 3.63Å; F462-H466 AromaticContact CD2-CG 3.85Å; F462-H466 AromaticContact CD2-ND1 3.62Å; F462-H466 AromaticContact CD2-NE2 3.86Å; F462-H466 AromaticContact CE2-CE1 3.95Å; F462-H466 PolarHBondContact N-ND1 2.83Å; N463-H466 PolarHBondContact O-N 2.73Å; N463-H466 WeakPolarHBondContact OD1-CB 3.35Å; N463-H466 PolarHBondContact OD1-N 3.06Å; W464-H466 VanDerWaalsContact C-N 3.34Å; W464-H466 PolarHBondContact O-N 3.09Å; H466-F469 CarbonylContact O-C 3.58Å; H466-F469 WeakPolarHBondContact O-CB 3.19Å; H466-F469 PolarHBondContact O-N 2.82Å; H466-V470 VanDerWaalsContact O-CG2 3.29Å; H466-V470 WeakPolarHBondContact O-CG2 3.48Å; H466-V470 PolarHBondContact O-N 3.43Å; H466-V569 PolarHBondContact CE1-O 2.89Å; H466-V569 VanDerWaalsContact CE1-O 3.24Å; H466-Q626 PolarHBondContact CD2-OE1 3.04Å; H466-Q626 VanDerWaalsContact CD2-OE1 3.31Å; H466-R633 PolarHBondContact NE2-NH2 3.36Å
467	G	98.9	Very high	98.1	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-65	-39.5	175.5	0	0	0	0	0	113.5	N463 W464 Q465 F469 V470 G471	N463-G467 PolarHBondContact O-N 2.99Å; W464-G467 CarbonylContact O-C 3.47Å; W464-G467 WeakPolarHBondContact O-CA 3.49Å; W464-G467 PolarHBondContact O-N 2.98Å; Q465-G467 VanDerWaalsContact C-N 3.32Å; G467-F469 VanDerWaalsContact C-N 3.32Å; G467-V470 WeakPolarHBondContact O-CB 3.39Å; G467-V470 PolarHBondContact O-N 2.65Å; G467-G471 PolarHBondContact O-N 3.01Å
468	V	98.9	Very high	97.5	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-62.2	-42	171.5	175.9	0	0	0	0	110.2	W464 Q465 G471 A472 F494 L508 W511 L512 M623	W464-V468 WeakPolarHBondContact O-CG2 3.33Å; W464-V468 PolarHBondContact O-N 3.11Å; Q465-V468 PolarHBondContact O-N 3.42Å; V468-G471 PolarHBondContact O-N 2.85Å; V468-A472 WeakPolarHBondContact O-CB 3.29Å; V468-A472 PolarHBondContact O-N 3.4Å; V468-F494 HydrophobicContact CB-CZ 4.49Å; V468-F494 HydrophobicContact CG1-CZ 3.98Å; V468-F494 WeakPolarHBondContact O-CZ 3.4Å; V468-L508 HydrophobicContact CG1-CD2 4.07Å; V468-W511 HydrophobicContact CG1-CB 4.09Å; V468-W511 HydrophobicContact CG2-CB 4.08Å; V468-W511 HydrophobicContact CG2-CE3 4.26Å; V468-L512 HydrophobicContact CB-CD2 4.16Å; V468-L512 HydrophobicContact CG1-CD2 4.18Å; V468-L512 HydrophobicContact CG1-CG 4.14Å; V468-L512 HydrophobicContact CG2-CD2 4.23Å; V468-M623 HydrophobicContact CB-CE 4.15Å; V468-M623 HydrophobicContact CG1-CE 3.96Å; V468-M623 HydrophobicContact CG1-SD 4Å
469	F	98.9	Very high	96.7	Very high	5 Å²	5	18.1 Å²	18.1	2%	0.022	9%	0.093	C	C	.	.	H	α-helix	trans	-62.4	-40.7	174	170.7	-97.1	0	0	0	112.4	Q465 H466 G467 G471 A472 T473 V607 F611 M623 Q626 L627 L630	Q465-F469 PolarHBondContact O-N 2.9Å; H466-F469 CarbonylContact O-C 3.58Å; H466-F469 WeakPolarHBondContact O-CB 3.19Å; H466-F469 PolarHBondContact O-N 2.82Å; G467-F469 VanDerWaalsContact C-N 3.32Å; F469-G471 PolarHBondContact O-N 2.81Å; F469-A472 PolarHBondContact O-N 2.9Å; F469-T473 HydrophobicContact CD1-CG2 4.45Å; F469-T473 HydrophobicContact CD2-CG2 3.95Å; F469-T473 HydrophobicContact CE1-CG2 4.1Å; F469-T473 HydrophobicContact CE2-CG2 3.55Å; F469-T473 HydrophobicContact CG-CG2 4.39Å; F469-T473 HydrophobicContact CZ-CG2 3.64Å; F469-T473 WeakPolarHBondContact O-CB 3.04Å; F469-T473 VanDerWaalsContact O-CG2 3.3Å; F469-T473 WeakPolarHBondContact O-CG2 3.28Å; F469-T473 PolarHBondContact O-N 2.84Å; F469-T473 PolarHBondContact O-OG1 2.81Å; F469-V607 HydrophobicContact CE2-CG1 4.35Å; F469-V607 HydrophobicContact CZ-CG1 4.49Å; F469-F611 HydrophobicContact CD2-CE2 4.09Å; F469-F611 HydrophobicContact CD2-CZ 4.45Å; F469-F611 AromaticContact CE2-CE2 3.85Å; F469-F611 HydrophobicContact CE2-CE2 3.85Å; F469-F611 HydrophobicContact CE2-CZ 4.43Å; F469-M623 HydrophobicContact CB-CE 3.95Å; F469-M623 HydrophobicContact CB-SD 3.95Å; F469-M623 HydrophobicContact CD2-SD 4.49Å; F469-Q626 HydrophobicContact CB-CB 3.6Å; F469-Q626 HydrophobicContact CB-CG 3.89Å; F469-Q626 HydrophobicContact CD1-CB 4.02Å; F469-Q626 HydrophobicContact CD2-CB 3.61Å; F469-Q626 HydrophobicContact CE2-CB 4.26Å; F469-Q626 HydrophobicContact CG-CB 3.46Å; F469-Q626 VanDerWaalsContact CG-CB 3.46Å; F469-Q626 HydrophobicContact CG-CG 4.3Å; F469-L627 HydrophobicContact CE2-CB 3.81Å; F469-L627 HydrophobicContact CE2-CD1 4.34Å; F469-L627 HydrophobicContact CZ-CB 4.26Å; F469-L627 HydrophobicContact CZ-CD1 4.18Å; F469-L630 HydrophobicContact CE1-CB 4.38Å; F469-L630 HydrophobicContact CE1-CD2 3.93Å; F469-L630 HydrophobicContact CZ-CB 4.46Å; F469-L630 HydrophobicContact CZ-CD2 3.97Å
470	V	98.9	Very high	95.8	Very high	4 Å²	4	19.6 Å²	19.6	2%	0.024	11%	0.108	C	C	.	.	H	α-helix	trans	-60.2	-44.6	174.2	166.4	0	0	0	0	111.1	F447 Y459 H466 G467 T473 M474 H527	F447-V470 HydrophobicContact CD2-CG1 4.3Å; Y459-V470 HydrophobicContact CE2-CG1 4.05Å; Y459-V470 HydrophobicContact CE2-CG2 3.84Å; H466-V470 VanDerWaalsContact O-CG2 3.29Å; H466-V470 WeakPolarHBondContact O-CG2 3.48Å; H466-V470 PolarHBondContact O-N 3.43Å; G467-V470 WeakPolarHBondContact O-CB 3.39Å; G467-V470 PolarHBondContact O-N 2.65Å; V470-T473 PolarHBondContact O-N 3.21Å; V470-T473 PolarHBondContact O-OG1 3.24Å; V470-M474 PolarHBondContact O-N 2.87Å; V470-H527 HydrophobicContact CG1-CB 3.62Å
471	G	98.8	Very high	94.4	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-61.3	-42.4	172.4	0	0	0	0	0	112.6	G467 V468 F469 T473 M474 P493 F494	G467-G471 PolarHBondContact O-N 3.01Å; V468-G471 PolarHBondContact O-N 2.85Å; F469-G471 PolarHBondContact O-N 2.81Å; G471-T473 VanDerWaalsContact C-N 3.26Å; G471-T473 PolarHBondContact O-N 2.99Å; G471-M474 WeakPolarHBondContact O-CB 3.4Å; G471-M474 WeakPolarHBondContact O-CG 3.27Å; G471-M474 PolarHBondContact O-N 2.83Å; G471-P493 CarbonylContact O-C 3.48Å; G471-P493 WeakPolarHBondContact O-CA 3.42Å; G471-F494 WeakPolarHBondContact O-CD2 3.27Å; G471-F494 PolarHBondContact O-N 3.37Å
472	A	98.8	Very high	93.4	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-68.4	-23.3	-178.2	0	0	0	0	0	113.7	V468 F469 F494 F504 L508 F611 M623	V468-A472 WeakPolarHBondContact O-CB 3.29Å; V468-A472 PolarHBondContact O-N 3.4Å; F469-A472 PolarHBondContact O-N 2.9Å; A472-F494 HydrophobicContact CB-CE2 4.07Å; A472-F504 HydrophobicContact CB-CZ 4.2Å; A472-L508 HydrophobicContact CB-CD2 3.56Å; A472-F611 HydrophobicContact CB-CE1 4.21Å; A472-F611 HydrophobicContact CB-CZ 3.85Å; A472-M623 HydrophobicContact CB-SD 4.23Å
473	T	98.6	Very high	92.5	Very high	20 Å²	20	21 Å²	21	12%	0.123	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	6.7	-177.6	54.7	0	0	0	0	113.2	F469 V470 G471 R475 V607 F611	F469-T473 HydrophobicContact CD1-CG2 4.45Å; F469-T473 HydrophobicContact CD2-CG2 3.95Å; F469-T473 HydrophobicContact CE1-CG2 4.1Å; F469-T473 HydrophobicContact CE2-CG2 3.55Å; F469-T473 HydrophobicContact CG-CG2 4.39Å; F469-T473 HydrophobicContact CZ-CG2 3.64Å; F469-T473 WeakPolarHBondContact O-CB 3.04Å; F469-T473 VanDerWaalsContact O-CG2 3.3Å; F469-T473 WeakPolarHBondContact O-CG2 3.28Å; F469-T473 PolarHBondContact O-N 2.84Å; F469-T473 PolarHBondContact O-OG1 2.81Å; V470-T473 PolarHBondContact O-N 3.21Å; V470-T473 PolarHBondContact O-OG1 3.24Å; G471-T473 VanDerWaalsContact C-N 3.26Å; G471-T473 PolarHBondContact O-N 2.99Å; T473-R475 PolarHBondContact O-N 3.3Å; T473-V607 HydrophobicContact CG2-CB 4.38Å; T473-V607 HydrophobicContact CG2-CG1 3.49Å; T473-V607 VanDerWaalsContact CG2-CG1 3.49Å; T473-V607 HydrophobicContact CG2-CG2 3.91Å; T473-F611 HydrophobicContact CG2-CE2 4.16Å; T473-F611 HydrophobicContact CG2-CZ 3.7Å
474	M	98.4	Very high	91.5	Very high	3 Å²	3	20.2 Å²	20.2	2%	0.015	11%	0.111	C	C	.	.			trans	-54.7	132.4	175.6	-76.9	176.7	60.6	0	0	112	A297 P299 F447 G448 V470 G471 D492 A495	A297-M474 WeakPolarHBondContact O-CE 3.18Å; P299-M474 HydrophobicContact CG-CE 4.4Å; F447-M474 HydrophobicContact CB-CG 4.12Å; F447-M474 HydrophobicContact CB-SD 3.61Å; F447-M474 HydrophobicContact CD1-SD 3.33Å; F447-M474 WeakPolarHBondContact CD1-SD 3.16Å; F447-M474 HydrophobicContact CE1-SD 4.24Å; F447-M474 HydrophobicContact CG-SD 3.7Å; G448-M474 VanDerWaalsContact O-CE 3.24Å; G448-M474 WeakPolarHBondContact O-CE 3.29Å; V470-M474 PolarHBondContact O-N 2.87Å; G471-M474 WeakPolarHBondContact O-CB 3.4Å; G471-M474 WeakPolarHBondContact O-CG 3.27Å; G471-M474 PolarHBondContact O-N 2.83Å; M474-D492 VanDerWaalsContact CB-O 3.3Å; M474-D492 WeakPolarHBondContact CB-O 3.49Å; M474-D492 CarbonylContact O-C 3.6Å; M474-D492 PolarHBondContact O-N 2.95Å; M474-A495 HydrophobicContact CE-CB 4.11Å
475	R	97.3	Very high	90.1	Very high	29 Å²	29	28.7 Å²	28.7	11%	0.109	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	150.2	173.7	-61.6	170	79.1	-156.4	1.7	109.8	R451 T473 I489 M490 H491 E603 E606	R451-R475 VanDerWaalsContact CD-O 3.27Å; R451-R475 WeakPolarHBondContact CD-O 3.4Å; T473-R475 PolarHBondContact O-N 3.3Å; R475-I489 HydrophobicContact CB-CG2 3.8Å; R475-M490 CarbonylContact C-O 3.48Å; R475-M490 WeakPolarHBondContact CA-O 3.35Å; R475-M490 WeakPolarHBondContact CB-O 3.24Å; R475-H491 VanDerWaalsContact CD-CE1 3.5Å; R475-H491 WeakPolarHBondContact CD-CE1 3.15Å; R475-H491 PolarHBondContact NE-NE2 3.04Å; R475-E603 VanDerWaalsContact CD-OE1 3.24Å; R475-E603 WeakPolarHBondContact CD-OE1 3.28Å; R475-E603 IonicContact CZ-OE2 3.07Å; R475-E603 VanDerWaalsContact NH1-CD 3.33Å; R475-E603 IonicContact NH1-OE1 3.99Å; R475-E603 PolarHBondContact NH1-OE1 3.3Å; R475-E603 IonicContact NH1-OE2 2.68Å; R475-E603 PolarHBondContact NH1-OE2 3.41Å; R475-E606 IonicContact NH2-OE1 2.76Å
476	S	94.5	Very high	88.7	Confident	4 Å²	4	28.7 Å²	28.7	3%	0.028	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	149.1	-179.8	-175.6	0	0	0	0	111.3	C302 R450 A478 M490	C302-S476 PolarHBondContact SG-OG 2.88Å; C302-S476 VanDerWaalsContact SG-OG 3.38Å; R450-S476 PolarHBondContact N-OG 3.14Å; S476-A478 PolarHBondContact O-N 3Å; S476-M490 PolarHBondContact N-O 3.37Å; S476-M490 PolarHBondContact O-N 3.02Å
477	E	91.1	Very high	87.6	Confident	28 Å²	28	36.6 Å²	36.6	13%	0.131	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.8	137.1	163.3	-70	-178.6	-171.4	0	0	110.3	R450 P452 V488 I489	R450-E477 HydrophobicContact CB-CB 3.91Å; R450-E477 HydrophobicContact CB-CG 4.26Å; R450-E477 PolarHBondContact O-N 3.46Å; P452-E477 WeakPolarHBondContact CD-OE1 3.34Å; P452-E477 WeakPolarHBondContact CG-OE1 3.41Å; E477-V488 CarbonylContact C-O 3.1Å; E477-V488 WeakPolarHBondContact CA-O 3.47Å; E477-I489 HydrophobicContact CB-CD1 4.3Å; E477-I489 HydrophobicContact CG-CD1 3.41Å; E477-I489 VanDerWaalsContact CG-CD1 3.41Å
478	A	86.1	Confident	87.1	Confident	22 Å²	22	41 Å²	41	18%	0.182	22%	0.223	C	C	.	.			trans	-59.7	148	174.6	0	0	0	0	0	111.9	S476 H484 V488 M490	S476-A478 PolarHBondContact O-N 3Å; A478-H484 HydrophobicContact CB-CB 4.15Å; A478-V488 PolarHBondContact N-O 3.47Å; A478-M490 HydrophobicContact CB-CG 4.33Å; A478-M490 HydrophobicContact CB-SD 3.86Å
479	T	80.8	Confident	86.8	Confident	33 Å²	33	43.3 Å²	43.3	20%	0.202	24%	0.235	C	C	.	.			trans	-130.1	163.7	-178.1	72.9	0	0	0	0	111.2	S300 A301 A481	S300-T479 WeakPolarHBondContact O-CG2 3.34Å; S300-T479 PolarHBondContact O-OG1 3.11Å; A301-T479 HydrophobicContact CB-CG2 4.1Å; T479-A481 PolarHBondContact O-N 2.8Å
480	A	79.8	Confident	86.6	Confident	44 Å²	44	45.2 Å²	45.2	36%	0.364	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	7.2	-178	0	0	0	0	0	114.8	P416 N417 A482	P416-A480 HydrophobicContact CB-CB 3.65Å; N417-A480 VanDerWaalsContact CB-O 3.26Å; N417-A480 WeakPolarHBondContact CB-O 3.28Å; A480-A482 PolarHBondContact O-N 2.98Å
481	A	69.8	Low	86.5	Confident	3 Å²	3	45.5 Å²	45.5	3%	0.025	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-2.9	-177.8	0	0	0	0	0	114.3	R100 S300 T479	R100-A481 PolarHBondContact NE-O 3.28Å; R100-A481 PolarHBondContact NH2-O 2.87Å; S300-A481 VanDerWaalsContact CB-CB 3.42Å; T479-A481 PolarHBondContact O-N 2.8Å
482	A	78.7	Confident	86.5	Confident	12 Å²	12	46.2 Å²	46.2	10%	0.099	25%	0.25	C	C	.	.	S	Bend	trans	-152.7	-169.6	177.5	0	0	0	0	0	109.6	E102 A480 H484	E102-A482 HydrophobicContact CG-CB 4.21Å; E102-A482 WeakPolarHBondContact OE1-CB 3.38Å; A480-A482 PolarHBondContact O-N 2.98Å; A482-H484 VanDerWaalsContact C-N 3.28Å; A482-H484 PolarHBondContact O-N 3.39Å
483	E	79.2	Confident	86.5	Confident	84 Å²	84	46.2 Å²	46.2	39%	0.393	25%	0.25	S	C	.	.	S	Bend	trans	-77.3	-0.1	-173.6	67.2	-157.7	158.2	0	0	115.8	V101 E102 S103	V101-E483 WeakPolarHBondContact CG1-OE2 3.48Å; E102-E483 PolarHBondContact N-OE1 3.42Å; S103-E483 VanDerWaalsContact CB-OE1 3.26Å; S103-E483 WeakPolarHBondContact CB-OE1 3.14Å; S103-E483 PolarHBondContact N-OE1 2.94Å; S103-E483 PolarHBondContact OG-OE1 3.09Å; S103-E483 PolarHBondContact OG-OE2 2.88Å
484	H	76.8	Confident	86.5	Confident	60 Å²	60	45.2 Å²	45.2	28%	0.278	24%	0.244	S	C	.	.			trans	-76.8	131.1	-177.4	-59.2	-66.8	0	0	0	111.7	E102 A478 A482 M490 R497	E102-H484 IonicContact OE1-NE2 3.46Å; E102-H484 IonicContact OE2-CD2 3.3Å; E102-H484 IonicContact OE2-CE1 2.8Å; E102-H484 IonicContact OE2-NE2 3.75Å; E102-H484 PolarHBondContact OE2-NE2 3.33Å; A478-H484 HydrophobicContact CB-CB 4.15Å; A482-H484 VanDerWaalsContact C-N 3.28Å; A482-H484 PolarHBondContact O-N 3.39Å; H484-M490 HydrophobicContact CB-SD 4.2Å; H484-R497 PolarHBondContact CD2-NH2 2.77Å; H484-R497 PolarHBondContact NE2-NH2 2.87Å
485	K	69.4	Low	86.5	Confident	193 Å²	193	45.1 Å²	45.1	84%	0.839	24%	0.243	S	C	*	.			trans	-109.4	146.6	-179.2	-63.9	-175.1	-179	-178.8	0	112
486	G	69.9	Low	86.5	Confident	54 Å²	54	43.7 Å²	43.7	56%	0.557	24%	0.238	S	C	*	.	S	Bend	trans	89.5	176.3	172.3	0	0	0	0	0	114.9	V488	G486-V488 VanDerWaalsContact C-N 3.31Å; G486-V488 PolarHBondContact O-N 2.83Å
487	K	77.1	Confident	86.7	Confident	170 Å²	170	44.4 Å²	44.4	74%	0.739	24%	0.24	S	C	*	.	S	Bend	trans	-93.2	49.9	-179.8	-64.9	179.7	178.9	170.3	0	111.7
488	V	88.3	Confident	86.9	Confident	92 Å²	92	44 Å²	44	56%	0.558	24%	0.239	S	C	*	.			trans	-87.7	135.8	179.2	-178.6	0	0	0	0	109.5	E477 A478 G486 M490	E477-V488 CarbonylContact C-O 3.1Å; E477-V488 WeakPolarHBondContact CA-O 3.47Å; A478-V488 PolarHBondContact N-O 3.47Å; G486-V488 VanDerWaalsContact C-N 3.31Å; G486-V488 PolarHBondContact O-N 2.83Å; V488-M490 PolarHBondContact O-N 3.39Å
489	I	92.3	Very high	87.5	Confident	49 Å²	49	43 Å²	43	25%	0.251	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	119.5	172.5	-57.4	-65.3	0	0	0	108.8	R475 E477	R475-I489 HydrophobicContact CB-CG2 3.8Å; E477-I489 HydrophobicContact CB-CD1 4.3Å; E477-I489 HydrophobicContact CG-CD1 3.41Å; E477-I489 VanDerWaalsContact CG-CD1 3.41Å
490	M	94	Very high	88.4	Confident	45 Å²	45	41.7 Å²	41.7	22%	0.222	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	150.1	177.5	-57.4	-175.8	79.8	0	0	110.4	R475 S476 A478 H484 V488 R497	R475-M490 CarbonylContact C-O 3.48Å; R475-M490 WeakPolarHBondContact CA-O 3.35Å; R475-M490 WeakPolarHBondContact CB-O 3.24Å; S476-M490 PolarHBondContact N-O 3.37Å; S476-M490 PolarHBondContact O-N 3.02Å; A478-M490 HydrophobicContact CB-CG 4.33Å; A478-M490 HydrophobicContact CB-SD 3.86Å; H484-M490 HydrophobicContact CB-SD 4.2Å; V488-M490 PolarHBondContact O-N 3.39Å; M490-R497 PolarHBondContact SD-NH1 3.48Å
491	H	97.2	Very high	89.2	Confident	10 Å²	10	39.6 Å²	39.6	5%	0.046	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	137.6	163.4	-70.6	-97	0	0	0	109.5	R475 R497 Y610	R475-H491 VanDerWaalsContact CD-CE1 3.5Å; R475-H491 WeakPolarHBondContact CD-CE1 3.15Å; R475-H491 PolarHBondContact NE-NE2 3.04Å; H491-R497 VanDerWaalsContact O-CD 3.28Å; H491-R497 WeakPolarHBondContact O-CD 3.47Å; H491-R497 PolarHBondContact O-NH1 3.25Å; H491-Y610 HydrophobicContact CB-CD2 3.9Å; H491-Y610 HydrophobicContact CB-CE1 4.14Å; H491-Y610 HydrophobicContact CB-CE2 3.44Å; H491-Y610 VanDerWaalsContact CB-CE2 3.44Å; H491-Y610 HydrophobicContact CB-CG 4.41Å; H491-Y610 AromaticContact CD2-CD2 3.56Å; H491-Y610 AromaticContact CD2-CG 3.85Å; H491-Y610 AromaticContact CE1-CD1 3.86Å; H491-Y610 AromaticContact CE1-CG 3.56Å; H491-Y610 AromaticContact CG-CD1 3.96Å; H491-Y610 AromaticContact CG-CD2 3.46Å; H491-Y610 VanDerWaalsContact CG-CD2 3.46Å; H491-Y610 AromaticContact CG-CE2 3.57Å; H491-Y610 AromaticContact CG-CG 3.66Å; H491-Y610 AromaticContact CG-CZ 3.87Å; H491-Y610 AromaticContact ND1-CD1 3.47Å; H491-Y610 WeakPolarHBondContact ND1-CD1 3.45Å; H491-Y610 AromaticContact ND1-CD2 3.8Å; H491-Y610 AromaticContact ND1-CE1 3.8Å; H491-Y610 AromaticContact ND1-CG 3.46Å; H491-Y610 AromaticContact NE2-CD2 3.99Å; H491-Y610 AromaticContact NE2-CG 3.83Å
492	D	97.8	Very high	90.6	Very high	15 Å²	15	39.5 Å²	39.5	8%	0.08	20%	0.204	C	C	.	.			trans	-146.8	68.7	172.4	-164.2	-8.2	0	0	0	109.3	P299 M474 F494 A495 M496 R497	P299-D492 VanDerWaalsContact CB-OD2 3.25Å; P299-D492 WeakPolarHBondContact CB-OD2 3.17Å; P299-D492 HydrophobicContact CG-CB 3.93Å; P299-D492 WeakPolarHBondContact CG-OD2 3.41Å; M474-D492 VanDerWaalsContact CB-O 3.3Å; M474-D492 WeakPolarHBondContact CB-O 3.49Å; M474-D492 CarbonylContact O-C 3.6Å; M474-D492 PolarHBondContact O-N 2.95Å; D492-F494 PolarHBondContact O-N 3.42Å; D492-A495 PolarHBondContact O-N 3.15Å; D492-A495 VanDerWaalsContact OD1-CA 3.28Å; D492-A495 WeakPolarHBondContact OD1-CA 3.39Å; D492-M496 PolarHBondContact OD1-N 3.3Å; D492-R497 HydrophobicContact CB-CB 4.43Å; D492-R497 WeakPolarHBondContact OD1-CB 3.43Å; D492-R497 PolarHBondContact OD1-N 2.93Å
493	P	98.7	Very high	91.6	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-55.4	129.8	-176	23.2	-35	0	0	0	110.7	L127 G471 A495 M496 F500 F504	L127-P493 HydrophobicContact CD2-CG 3.87Å; G471-P493 CarbonylContact O-C 3.48Å; G471-P493 WeakPolarHBondContact O-CA 3.42Å; P493-A495 PolarHBondContact O-N 3.49Å; P493-M496 PolarHBondContact O-N 2.94Å; P493-F500 HydrophobicContact CB-CZ 4.4Å; P493-F500 HydrophobicContact CG-CE2 3.9Å; P493-F500 HydrophobicContact CG-CZ 3.97Å; P493-F504 HydrophobicContact CB-CE1 4.2Å; P493-F504 HydrophobicContact CB-CE2 3.69Å; P493-F504 HydrophobicContact CB-CZ 3.39Å; P493-F504 HydrophobicContact CG-CE1 4.14Å; P493-F504 HydrophobicContact CG-CE2 3.98Å; P493-F504 HydrophobicContact CG-CZ 3.74Å
494	F	98.8	Very high	92.5	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	56.4	15.9	-178.1	-67.7	-106.6	0	0	0	114.6	F447 V468 G471 A472 D492 M496 F504 Y507 L508 W511	F447-F494 HydrophobicContact CE1-CB 4.37Å; F447-F494 AromaticContact CE1-CD1 3.51Å; F447-F494 HydrophobicContact CE1-CD1 3.51Å; F447-F494 HydrophobicContact CE1-CE1 4.02Å; F447-F494 HydrophobicContact CE1-CG 4.1Å; F447-F494 HydrophobicContact CE2-CD1 4.5Å; F447-F494 HydrophobicContact CE2-CE1 4.2Å; F447-F494 AromaticContact CZ-CD1 3.4Å; F447-F494 HydrophobicContact CZ-CD1 3.4Å; F447-F494 VanDerWaalsContact CZ-CD1 3.4Å; F447-F494 AromaticContact CZ-CE1 3.4Å; F447-F494 HydrophobicContact CZ-CE1 3.4Å; F447-F494 VanDerWaalsContact CZ-CE1 3.4Å; F447-F494 HydrophobicContact CZ-CG 4.3Å; F447-F494 HydrophobicContact CZ-CZ 4.3Å; V468-F494 HydrophobicContact CB-CZ 4.49Å; V468-F494 HydrophobicContact CG1-CZ 3.98Å; V468-F494 WeakPolarHBondContact O-CZ 3.4Å; G471-F494 WeakPolarHBondContact O-CD2 3.27Å; G471-F494 PolarHBondContact O-N 3.37Å; A472-F494 HydrophobicContact CB-CE2 4.07Å; D492-F494 PolarHBondContact O-N 3.42Å; F494-M496 HydrophobicContact CB-CB 4.18Å; F494-M496 HydrophobicContact CB-CG 4.12Å; F494-M496 PolarHBondContact O-N 3.24Å; F494-F504 HydrophobicContact CD2-CE2 4.41Å; F494-Y507 HydrophobicContact CB-CE1 4.25Å; F494-Y507 WeakPolarHBondContact CB-OH 3.37Å; F494-Y507 AromaticContact CD1-CE1 3.99Å; F494-Y507 HydrophobicContact CD1-CE1 3.99Å; F494-Y507 WeakPolarHBondContact CD1-OH 3.32Å; F494-Y507 AromaticContact CD2-CE1 3.8Å; F494-Y507 HydrophobicContact CD2-CE1 3.8Å; F494-Y507 HydrophobicContact CE1-CE1 4.29Å; F494-Y507 HydrophobicContact CE2-CE1 4.11Å; F494-Y507 AromaticContact CG-CE1 3.76Å; F494-Y507 HydrophobicContact CG-CE1 3.76Å; F494-Y507 WeakPolarHBondContact CG-OH 3.35Å; F494-Y507 HydrophobicContact CZ-CE1 4.36Å; F494-L508 HydrophobicContact CE2-CD2 3.74Å; F494-L508 HydrophobicContact CZ-CD2 4.38Å; F494-W511 HydrophobicContact CD1-CD2 4.34Å; F494-W511 AromaticContact CD1-CE2 3.88Å; F494-W511 HydrophobicContact CD1-CH2 4.35Å; F494-W511 AromaticContact CD1-CZ2 3.87Å; F494-W511 HydrophobicContact CD1-CZ2 3.87Å; F494-W511 AromaticContact CE1-CD2 3.59Å; F494-W511 HydrophobicContact CE1-CD2 3.59Å; F494-W511 AromaticContact CE1-CE2 3.6Å; F494-W511 AromaticContact CE1-CE3 3.85Å; F494-W511 HydrophobicContact CE1-CE3 3.85Å; F494-W511 HydrophobicContact CE1-CG 4.08Å; F494-W511 HydrophobicContact CE1-CH2 4.09Å; F494-W511 AromaticContact CE1-CZ2 3.85Å; F494-W511 HydrophobicContact CE1-CZ2 3.85Å; F494-W511 HydrophobicContact CE1-CZ3 4.09Å; F494-W511 HydrophobicContact CZ-CD2 4.28Å; F494-W511 HydrophobicContact CZ-CG 4.38Å
495	A	98.3	Very high	93.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	56.6	21	-165.7	0	0	0	0	0	114	H278 A297 P299 M474 D492 P493	H278-A495 PolarHBondContact ND1-O 2.95Å; A297-A495 HydrophobicContact CB-CB 4.24Å; P299-A495 HydrophobicContact CG-CB 4.16Å; M474-A495 HydrophobicContact CE-CB 4.11Å; D492-A495 PolarHBondContact O-N 3.15Å; D492-A495 VanDerWaalsContact OD1-CA 3.28Å; D492-A495 WeakPolarHBondContact OD1-CA 3.39Å; P493-A495 PolarHBondContact O-N 3.49Å
496	M	98.6	Very high	95	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.141	C	C	.	.			trans	-108.4	2.2	-171.2	-79.1	-68.1	-75.8	0	0	113.5	L262 H278 D492 P493 F494 P498 F499 F500	L262-M496 HydrophobicContact CB-CE 4.4Å; L262-M496 HydrophobicContact CD1-SD 4.41Å; L262-M496 HydrophobicContact CD2-CE 4.45Å; L262-M496 HydrophobicContact CD2-SD 4.07Å; H278-M496 HydrophobicContact CB-CG 4.32Å; H278-M496 HydrophobicContact CB-SD 3.63Å; D492-M496 PolarHBondContact OD1-N 3.3Å; P493-M496 PolarHBondContact O-N 2.94Å; F494-M496 HydrophobicContact CB-CB 4.18Å; F494-M496 HydrophobicContact CB-CG 4.12Å; F494-M496 PolarHBondContact O-N 3.24Å; M496-P498 VanDerWaalsContact C-CD 3.46Å; M496-P498 VanDerWaalsContact C-N 3.34Å; M496-P498 VanDerWaalsContact O-N 3.14Å; M496-F499 HydrophobicContact CE-CB 3.96Å; M496-F499 CarbonylContact O-C 3.59Å; M496-F499 WeakPolarHBondContact O-CA 3.29Å; M496-F499 PolarHBondContact O-N 3.4Å; M496-F499 HydrophobicContact SD-CB 3.75Å; M496-F499 HydrophobicContact SD-CD2 4.29Å; M496-F499 HydrophobicContact SD-CG 4.49Å; M496-F500 HydrophobicContact CB-CD1 3.91Å; M496-F500 HydrophobicContact CB-CE1 3.39Å; M496-F500 HydrophobicContact CB-CE2 4.14Å; M496-F500 HydrophobicContact CB-CG 4.47Å; M496-F500 HydrophobicContact CB-CZ 3.51Å; M496-F500 HydrophobicContact CG-CE1 4.38Å; M496-F500 VanDerWaalsContact O-CD2 3.31Å; M496-F500 WeakPolarHBondContact O-CD2 3.33Å; M496-F500 PolarHBondContact O-N 2.87Å
497	R	97.6	Very high	96.3	Very high	19 Å²	19	23.2 Å²	23.2	7%	0.072	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.3	-47	-178	-176.3	-163.5	78.8	-164.4	7.3	114.1	E102 Q126 H484 M490 H491 D492 F499	E102-R497 IonicContact OE1-NH2 2.78Å; E102-R497 PolarHBondContact OE1-NH2 3.44Å; E102-R497 IonicContact OE2-CZ 3.51Å; E102-R497 IonicContact OE2-NE 3.6Å; E102-R497 IonicContact OE2-NH2 3.32Å; E102-R497 PolarHBondContact OE2-NH2 3.39Å; E102-R497 VanDerWaalsContact OE2-NH2 3.14Å; Q126-R497 WeakPolarHBondContact O-CG 3.44Å; H484-R497 PolarHBondContact CD2-NH2 2.77Å; H484-R497 PolarHBondContact NE2-NH2 2.87Å; M490-R497 PolarHBondContact SD-NH1 3.48Å; H491-R497 VanDerWaalsContact O-CD 3.28Å; H491-R497 WeakPolarHBondContact O-CD 3.47Å; H491-R497 PolarHBondContact O-NH1 3.25Å; D492-R497 HydrophobicContact CB-CB 4.43Å; D492-R497 WeakPolarHBondContact OD1-CB 3.43Å; D492-R497 PolarHBondContact OD1-N 2.93Å; R497-F499 VanDerWaalsContact C-N 3.25Å; R497-F499 PolarHBondContact O-N 3.18Å
498	P	96.1	Very high	97.4	Very high	19 Å²	19	15.1 Å²	15.1	12%	0.123	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	7.7	-179.5	35.4	-34.5	0	0	0	113.7	E102 R263 M496	E102-P498 HydrophobicContact CG-CB 4.11Å; E102-P498 WeakPolarHBondContact OE1-CB 3.47Å; R263-P498 PolarHBondContact NE-O 3.01Å; R263-P498 VanDerWaalsContact NE-O 3.09Å; R263-P498 PolarHBondContact NH2-O 2.7Å; M496-P498 VanDerWaalsContact C-CD 3.46Å; M496-P498 VanDerWaalsContact C-N 3.34Å; M496-P498 VanDerWaalsContact O-N 3.14Å
499	F	98.4	Very high	97.9	Very high	1 Å²	1	13.4 Å²	13.4	0%	0.004	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-134.5	-4.3	-163.9	-54	-54.6	0	0	0	115.3	K258 L262 R263 H278 M496 R497 G501	K258-F499 HydrophobicContact CB-CD1 4.33Å; K258-F499 HydrophobicContact CB-CE1 4.02Å; K258-F499 HydrophobicContact CD-CD1 4.2Å; K258-F499 HydrophobicContact CD-CE1 3.53Å; K258-F499 HydrophobicContact CD-CZ 3.86Å; K258-F499 HydrophobicContact CG-CE1 3.81Å; K258-F499 HydrophobicContact CG-CZ 4.46Å; L262-F499 HydrophobicContact CB-CB 3.97Å; L262-F499 HydrophobicContact CB-CG 4.46Å; L262-F499 HydrophobicContact CD1-CB 3.88Å; L262-F499 HydrophobicContact CD1-CD1 3.82Å; L262-F499 HydrophobicContact CD1-CD2 3.78Å; L262-F499 HydrophobicContact CD1-CE1 4.23Å; L262-F499 HydrophobicContact CD1-CE2 4.23Å; L262-F499 HydrophobicContact CD1-CG 3.57Å; L262-F499 HydrophobicContact CD1-CZ 4.42Å; R263-F499 VanDerWaalsContact CG-O 3.28Å; R263-F499 WeakPolarHBondContact CG-O 3.47Å; H278-F499 HydrophobicContact CB-CD2 4.27Å; H278-F499 AromaticContact CE1-CE2 3.46Å; H278-F499 VanDerWaalsContact CE1-CE2 3.46Å; H278-F499 WeakPolarHBondContact CE1-CE2 3.3Å; H278-F499 AromaticContact CG-CE2 3.88Å; H278-F499 AromaticContact ND1-CD2 3.9Å; H278-F499 AromaticContact ND1-CE2 3.47Å; H278-F499 WeakPolarHBondContact ND1-CE2 3.41Å; H278-F499 AromaticContact NE2-CE2 3.87Å; M496-F499 HydrophobicContact CE-CB 3.96Å; M496-F499 CarbonylContact O-C 3.59Å; M496-F499 WeakPolarHBondContact O-CA 3.29Å; M496-F499 PolarHBondContact O-N 3.4Å; M496-F499 HydrophobicContact SD-CB 3.75Å; M496-F499 HydrophobicContact SD-CD2 4.29Å; M496-F499 HydrophobicContact SD-CG 4.49Å; R497-F499 VanDerWaalsContact C-N 3.25Å; R497-F499 PolarHBondContact O-N 3.18Å; F499-G501 PolarHBondContact O-N 3.06Å
500	F	98.8	Very high	98.2	Very high	5 Å²	5	12 Å²	12	2%	0.022	6%	0.064	C	C	.	.			trans	-56.6	127.6	172.9	-67.2	-60.2	0	0	0	110.5	I107 L127 P493 M496 Y502 F504 Y507	I107-F500 WeakPolarHBondContact CD1-O 3.2Å; L127-F500 HydrophobicContact CD2-CD2 4.2Å; L127-F500 HydrophobicContact CD2-CE2 3.77Å; P493-F500 HydrophobicContact CB-CZ 4.4Å; P493-F500 HydrophobicContact CG-CE2 3.9Å; P493-F500 HydrophobicContact CG-CZ 3.97Å; M496-F500 HydrophobicContact CB-CD1 3.91Å; M496-F500 HydrophobicContact CB-CE1 3.39Å; M496-F500 HydrophobicContact CB-CE2 4.14Å; M496-F500 HydrophobicContact CB-CG 4.47Å; M496-F500 HydrophobicContact CB-CZ 3.51Å; M496-F500 HydrophobicContact CG-CE1 4.38Å; M496-F500 VanDerWaalsContact O-CD2 3.31Å; M496-F500 WeakPolarHBondContact O-CD2 3.33Å; M496-F500 PolarHBondContact O-N 2.87Å; F500-Y502 VanDerWaalsContact C-N 3.33Å; F500-F504 HydrophobicContact CD1-CD2 4.35Å; F500-F504 HydrophobicContact CD2-CB 4.43Å; F500-F504 HydrophobicContact CD2-CD2 4.46Å; F500-F504 AromaticContact CE1-CD2 3.61Å; F500-F504 HydrophobicContact CE1-CD2 3.61Å; F500-F504 HydrophobicContact CE1-CE2 4.13Å; F500-F504 HydrophobicContact CE2-CB 4.38Å; F500-F504 AromaticContact CE2-CD2 3.73Å; F500-F504 HydrophobicContact CE2-CD2 3.73Å; F500-F504 HydrophobicContact CE2-CE2 4.3Å; F500-F504 HydrophobicContact CE2-CG 4.15Å; F500-F504 AromaticContact CZ-CD2 3.26Å; F500-F504 HydrophobicContact CZ-CD2 3.26Å; F500-F504 AromaticContact CZ-CE2 3.6Å; F500-F504 HydrophobicContact CZ-CE2 3.6Å; F500-F504 HydrophobicContact CZ-CG 4.13Å; F500-Y507 HydrophobicContact CD1-CD1 4.43Å; F500-Y507 HydrophobicContact CD1-CD2 4.02Å; F500-Y507 HydrophobicContact CD1-CE2 4.33Å; F500-Y507 HydrophobicContact CD1-CG 4.06Å; F500-Y507 AromaticContact CE1-CD1 3.71Å; F500-Y507 HydrophobicContact CE1-CD1 3.71Å; F500-Y507 AromaticContact CE1-CD2 3.98Å; F500-Y507 HydrophobicContact CE1-CD2 3.98Å; F500-Y507 AromaticContact CE1-CE1 3.81Å; F500-Y507 HydrophobicContact CE1-CE1 3.81Å; F500-Y507 HydrophobicContact CE1-CE2 4.05Å; F500-Y507 AromaticContact CE1-CG 3.8Å; F500-Y507 HydrophobicContact CE1-CG 3.8Å; F500-Y507 AromaticContact CE1-CZ 3.95Å
501	G	98.5	Very high	98.4	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.053	C	C	.	.	S	Bend	trans	-84.5	-7.7	174.5	0	0	0	0	0	114.5	R263 S266 F499	R263-G501 WeakPolarHBondContact O-CA 3.35Å; S266-G501 WeakPolarHBondContact OG-CA 3.41Å; S266-G501 PolarHBondContact OG-N 3.02Å; F499-G501 PolarHBondContact O-N 3.06Å
502	Y	98.8	Very high	98.5	Very high	1 Å²	1	10.5 Å²	10.5	0%	0.004	6%	0.057	C	C	.	.	S	Bend	trans	-163.7	176.4	-174	65.7	-81.9	0	0	0	110.5	E114 T115 S266 K270 F500 F504 Q506 Y507	E114-Y502 WeakPolarHBondContact O-CA 3.39Å; E114-Y502 WeakPolarHBondContact O-CB 3.36Å; T115-Y502 CarbonylContact O-C 3.59Å; S266-Y502 VanDerWaalsContact O-CE1 3.25Å; S266-Y502 WeakPolarHBondContact O-CE1 3.35Å; K270-Y502 HydrophobicContact CB-CE1 4.01Å; K270-Y502 HydrophobicContact CB-CE2 4.34Å; K270-Y502 HydrophobicContact CD-CD2 3.68Å; K270-Y502 HydrophobicContact CD-CE1 4.36Å; K270-Y502 HydrophobicContact CD-CE2 3.47Å; K270-Y502 VanDerWaalsContact CD-CE2 3.47Å; K270-Y502 HydrophobicContact CD-CG 4.2Å; K270-Y502 HydrophobicContact CG-CE2 4.15Å; F500-Y502 VanDerWaalsContact C-N 3.33Å; Y502-F504 PolarHBondContact O-N 3.24Å; Y502-Q506 HydrophobicContact CD2-CB 3.97Å; Y502-Q506 HydrophobicContact CE2-CB 3.91Å; Y502-Y507 HydrophobicContact CE1-CD2 4.25Å; Y502-Y507 VanDerWaalsContact CE2-CA 3.48Å; Y502-Y507 VanDerWaalsContact CE2-N 3.3Å; Y502-Y507 AromaticContact CZ-CD2 3.96Å; Y502-Y507 WeakPolarHBondContact OH-CA 3.25Å
503	N	98.8	Very high	98.6	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.068	C	C	.	.			trans	-47	122.3	-178.6	-175	-60.2	0	0	0	113.7	R113 E114 T115 P117 G505 Q506 Y507 D618	R113-N503 VanDerWaalsContact O-CB 3.31Å; R113-N503 WeakPolarHBondContact O-CB 3.34Å; R113-N503 PolarHBondContact O-ND2 2.88Å; E114-N503 PolarHBondContact O-N 3.39Å; T115-N503 PolarHBondContact O-N 2.9Å; T115-N503 VanDerWaalsContact O-N 3.12Å; P117-N503 WeakPolarHBondContact CA-ND2 3.4Å; N503-G505 PolarHBondContact O-N 3.14Å; N503-G505 WeakPolarHBondContact OD1-CA 3.33Å; N503-G505 PolarHBondContact OD1-N 3.43Å; N503-Q506 HydrophobicContact CB-CB 4.19Å; N503-Q506 HydrophobicContact CB-CG 3.94Å; N503-Q506 WeakPolarHBondContact O-CB 3.43Å; N503-Q506 PolarHBondContact O-N 3.3Å; N503-Q506 VanDerWaalsContact O-N 3.12Å; N503-Q506 PolarHBondContact OD1-N 2.83Å; N503-Y507 PolarHBondContact O-N 3.07Å; N503-D618 PolarHBondContact ND2-OD2 2.87Å
504	F	98.8	Very high	98.5	Very high	1 Å²	1	12 Å²	12	0%	0.004	7%	0.069	C	C	.	.	H	α-helix	trans	-61.1	-35.7	-178.7	174.1	-125.5	0	0	0	114.2	P117 L127 A472 P493 F494 F500 Y502 Q506 Y507 L508 V615	P117-F504 HydrophobicContact CG-CB 4.25Å; L127-F504 HydrophobicContact CB-CB 4.45Å; L127-F504 HydrophobicContact CD1-CB 3.96Å; L127-F504 HydrophobicContact CD1-CD1 3.62Å; L127-F504 HydrophobicContact CD1-CG 4.15Å; L127-F504 HydrophobicContact CD2-CB 4.12Å; L127-F504 HydrophobicContact CD2-CD1 3.79Å; L127-F504 HydrophobicContact CD2-CE1 4.36Å; L127-F504 HydrophobicContact CD2-CG 3.93Å; L127-F504 HydrophobicContact CG-CB 4.42Å; L127-F504 HydrophobicContact CG-CD1 4.35Å; A472-F504 HydrophobicContact CB-CZ 4.2Å; P493-F504 HydrophobicContact CB-CE1 4.2Å; P493-F504 HydrophobicContact CB-CE2 3.69Å; P493-F504 HydrophobicContact CB-CZ 3.39Å; P493-F504 HydrophobicContact CG-CE1 4.14Å; P493-F504 HydrophobicContact CG-CE2 3.98Å; P493-F504 HydrophobicContact CG-CZ 3.74Å; F494-F504 HydrophobicContact CD2-CE2 4.41Å; F500-F504 HydrophobicContact CD1-CD2 4.35Å; F500-F504 HydrophobicContact CD2-CB 4.43Å; F500-F504 HydrophobicContact CD2-CD2 4.46Å; F500-F504 AromaticContact CE1-CD2 3.61Å; F500-F504 HydrophobicContact CE1-CD2 3.61Å; F500-F504 HydrophobicContact CE1-CE2 4.13Å; F500-F504 HydrophobicContact CE2-CB 4.38Å; F500-F504 AromaticContact CE2-CD2 3.73Å; F500-F504 HydrophobicContact CE2-CD2 3.73Å; F500-F504 HydrophobicContact CE2-CE2 4.3Å; F500-F504 HydrophobicContact CE2-CG 4.15Å; F500-F504 AromaticContact CZ-CD2 3.26Å; F500-F504 HydrophobicContact CZ-CD2 3.26Å; F500-F504 AromaticContact CZ-CE2 3.6Å; F500-F504 HydrophobicContact CZ-CE2 3.6Å; F500-F504 HydrophobicContact CZ-CG 4.13Å; Y502-F504 PolarHBondContact O-N 3.24Å; F504-Q506 VanDerWaalsContact C-N 3.31Å; F504-Q506 PolarHBondContact O-N 2.77Å; F504-Y507 AromaticContact CD2-CD1 3.97Å; F504-Y507 HydrophobicContact CD2-CD1 3.97Å; F504-Y507 HydrophobicContact CE2-CD1 4.06Å; F504-Y507 WeakPolarHBondContact O-CA 3.42Å; F504-Y507 WeakPolarHBondContact O-CB 3.26Å; F504-Y507 PolarHBondContact O-N 3.17Å; F504-Y507 VanDerWaalsContact O-N 3.07Å; F504-L508 HydrophobicContact CD1-CD1 4.19Å; F504-L508 HydrophobicContact CD2-CG 4.17Å; F504-L508 HydrophobicContact CE1-CD1 3.69Å; F504-L508 HydrophobicContact CE1-CG 4.27Å; F504-L508 HydrophobicContact CE2-CD1 4.04Å; F504-L508 HydrophobicContact CE2-CD2 3.72Å; F504-L508 HydrophobicContact CE2-CG 3.68Å; F504-L508 HydrophobicContact CZ-CD1 3.6Å; F504-L508 HydrophobicContact CZ-CD2 3.73Å; F504-L508 HydrophobicContact CZ-CG 3.74Å; F504-L508 WeakPolarHBondContact O-CG 3.47Å; F504-L508 PolarHBondContact O-N 3.36Å; F504-V615 HydrophobicContact CD1-CG2 3.78Å; F504-V615 HydrophobicContact CE1-CG2 3.91Å
505	G	98.8	Very high	98.5	Very high	1 Å²	1	13.4 Å²	13.4	1%	0.01	8%	0.08	C	C	.	.	H	α-helix	trans	-64.2	-37.9	175	0	0	0	0	0	112.6	N503 Y507 L508 S509 D618	N503-G505 PolarHBondContact O-N 3.14Å; N503-G505 WeakPolarHBondContact OD1-CA 3.33Å; N503-G505 PolarHBondContact OD1-N 3.43Å; G505-Y507 VanDerWaalsContact C-N 3.32Å; G505-L508 PolarHBondContact O-N 3.48Å; G505-S509 PolarHBondContact O-N 2.7Å; G505-S509 PolarHBondContact O-OG 3.36Å; G505-D618 WeakPolarHBondContact CA-O 3.41Å
506	Q	98.8	Very high	98.4	Very high	58 Å²	58	19.8 Å²	19.8	27%	0.271	11%	0.114	S	C	.	.	H	α-helix	trans	-68.7	-32.4	170.6	-61.1	-177.6	10.3	0	0	112	K270 Y502 N503 F504 S509 H510	K270-Q506 VanDerWaalsContact CE-OE1 3.27Å; Y502-Q506 HydrophobicContact CD2-CB 3.97Å; Y502-Q506 HydrophobicContact CE2-CB 3.91Å; N503-Q506 HydrophobicContact CB-CB 4.19Å; N503-Q506 HydrophobicContact CB-CG 3.94Å; N503-Q506 WeakPolarHBondContact O-CB 3.43Å; N503-Q506 PolarHBondContact O-N 3.3Å; N503-Q506 VanDerWaalsContact O-N 3.12Å; N503-Q506 PolarHBondContact OD1-N 2.83Å; F504-Q506 VanDerWaalsContact C-N 3.31Å; F504-Q506 PolarHBondContact O-N 2.77Å; Q506-S509 PolarHBondContact O-N 3.25Å; Q506-H510 WeakPolarHBondContact O-CB 3.42Å; Q506-H510 PolarHBondContact O-N 2.71Å
507	Y	98.9	Very high	98.3	Very high	1 Å²	1	23.1 Å²	23.1	0%	0.004	13%	0.127	C	C	.	.	H	α-helix	trans	-65	-43.4	174.6	171.2	-81.5	0	0	0	111.3	E277 F494 F500 Y502 N503 F504 G505 S509 H510 W511	E277-Y507 WeakPolarHBondContact OE1-CE2 3.36Å; E277-Y507 PolarHBondContact OE1-OH 3.01Å; E277-Y507 VanDerWaalsContact OE1-OH 3.14Å; E277-Y507 PolarHBondContact OE2-OH 2.91Å; F494-Y507 HydrophobicContact CB-CE1 4.25Å; F494-Y507 WeakPolarHBondContact CB-OH 3.37Å; F494-Y507 AromaticContact CD1-CE1 3.99Å; F494-Y507 HydrophobicContact CD1-CE1 3.99Å; F494-Y507 WeakPolarHBondContact CD1-OH 3.32Å; F494-Y507 AromaticContact CD2-CE1 3.8Å; F494-Y507 HydrophobicContact CD2-CE1 3.8Å; F494-Y507 HydrophobicContact CE1-CE1 4.29Å; F494-Y507 HydrophobicContact CE2-CE1 4.11Å; F494-Y507 AromaticContact CG-CE1 3.76Å; F494-Y507 HydrophobicContact CG-CE1 3.76Å; F494-Y507 WeakPolarHBondContact CG-OH 3.35Å; F494-Y507 HydrophobicContact CZ-CE1 4.36Å; F500-Y507 HydrophobicContact CD1-CD1 4.43Å; F500-Y507 HydrophobicContact CD1-CD2 4.02Å; F500-Y507 HydrophobicContact CD1-CE2 4.33Å; F500-Y507 HydrophobicContact CD1-CG 4.06Å; F500-Y507 AromaticContact CE1-CD1 3.71Å; F500-Y507 HydrophobicContact CE1-CD1 3.71Å; F500-Y507 AromaticContact CE1-CD2 3.98Å; F500-Y507 HydrophobicContact CE1-CD2 3.98Å; F500-Y507 AromaticContact CE1-CE1 3.81Å; F500-Y507 HydrophobicContact CE1-CE1 3.81Å; F500-Y507 HydrophobicContact CE1-CE2 4.05Å; F500-Y507 AromaticContact CE1-CG 3.8Å; F500-Y507 HydrophobicContact CE1-CG 3.8Å; F500-Y507 AromaticContact CE1-CZ 3.95Å; Y502-Y507 HydrophobicContact CE1-CD2 4.25Å; Y502-Y507 VanDerWaalsContact CE2-CA 3.48Å; Y502-Y507 VanDerWaalsContact CE2-N 3.3Å; Y502-Y507 AromaticContact CZ-CD2 3.96Å; Y502-Y507 WeakPolarHBondContact OH-CA 3.25Å; N503-Y507 PolarHBondContact O-N 3.07Å; F504-Y507 AromaticContact CD2-CD1 3.97Å; F504-Y507 HydrophobicContact CD2-CD1 3.97Å; F504-Y507 HydrophobicContact CE2-CD1 4.06Å; F504-Y507 WeakPolarHBondContact O-CA 3.42Å; F504-Y507 WeakPolarHBondContact O-CB 3.26Å; F504-Y507 PolarHBondContact O-N 3.17Å; F504-Y507 VanDerWaalsContact O-N 3.07Å; G505-Y507 VanDerWaalsContact C-N 3.32Å; Y507-S509 VanDerWaalsContact C-N 3.33Å; Y507-S509 PolarHBondContact O-N 3.41Å; Y507-H510 WeakPolarHBondContact O-CB 3.37Å; Y507-H510 PolarHBondContact O-N 3.29Å; Y507-W511 AromaticContact CD1-CD1 3.89Å; Y507-W511 AromaticContact CE1-CD1 3.4Å; Y507-W511 VanDerWaalsContact CE1-CD1 3.4Å; Y507-W511 HydrophobicContact CE1-CG 4.34Å; Y507-W511 AromaticContact CE1-NE1 3.53Å; Y507-W511 AromaticContact CE2-CD1 3.86Å; Y507-W511 AromaticContact CE2-NE1 3.58Å; Y507-W511 AromaticContact CZ-CD1 3.41Å; Y507-W511 VanDerWaalsContact CZ-CD1 3.41Å; Y507-W511 AromaticContact CZ-NE1 3.06Å; Y507-W511 PolarHBondContact O-N 2.93Å; Y507-W511 PolarHBondContact OH-NE1 3.38Å
508	L	98.9	Very high	98.1	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-60.6	-43.5	173	-67.6	169.9	0	0	0	111.5	V468 A472 F494 F504 G505 H510 W511 L512 P620 M623	V468-L508 HydrophobicContact CG1-CD2 4.07Å; A472-L508 HydrophobicContact CB-CD2 3.56Å; F494-L508 HydrophobicContact CE2-CD2 3.74Å; F494-L508 HydrophobicContact CZ-CD2 4.38Å; F504-L508 HydrophobicContact CD1-CD1 4.19Å; F504-L508 HydrophobicContact CD2-CG 4.17Å; F504-L508 HydrophobicContact CE1-CD1 3.69Å; F504-L508 HydrophobicContact CE1-CG 4.27Å; F504-L508 HydrophobicContact CE2-CD1 4.04Å; F504-L508 HydrophobicContact CE2-CD2 3.72Å; F504-L508 HydrophobicContact CE2-CG 3.68Å; F504-L508 HydrophobicContact CZ-CD1 3.6Å; F504-L508 HydrophobicContact CZ-CD2 3.73Å; F504-L508 HydrophobicContact CZ-CG 3.74Å; F504-L508 WeakPolarHBondContact O-CG 3.47Å; F504-L508 PolarHBondContact O-N 3.36Å; G505-L508 PolarHBondContact O-N 3.48Å; L508-H510 VanDerWaalsContact C-N 3.31Å; L508-H510 PolarHBondContact O-N 3.37Å; L508-W511 PolarHBondContact O-N 2.81Å; L508-L512 VanDerWaalsContact O-CG 3.29Å; L508-L512 WeakPolarHBondContact O-CG 3.31Å; L508-L512 PolarHBondContact O-N 3.3Å; L508-P620 HydrophobicContact CB-CG 3.78Å; L508-M623 HydrophobicContact CD1-CG 4.18Å; L508-M623 HydrophobicContact CD2-SD 4.32Å
509	S	98.8	Very high	98.2	Very high	56 Å²	56	30.6 Å²	30.6	39%	0.392	19%	0.19	S	C	.	.	H	α-helix	trans	-60.6	-41	175.9	-58.3	0	0	0	0	112	G505 Q506 Y507 L512 S513 P620	G505-S509 PolarHBondContact O-N 2.7Å; G505-S509 PolarHBondContact O-OG 3.36Å; Q506-S509 PolarHBondContact O-N 3.25Å; Y507-S509 VanDerWaalsContact C-N 3.33Å; Y507-S509 PolarHBondContact O-N 3.41Å; S509-L512 PolarHBondContact O-N 3.03Å; S509-S513 PolarHBondContact O-N 3.46Å; S509-P620 WeakPolarHBondContact OG-CG 3.44Å
510	H	98.9	Very high	98.1	Very high	19 Å²	19	31.8 Å²	31.8	9%	0.088	20%	0.2	C	C	.	.	H	α-helix	trans	-62.4	-47.8	176.2	-173.7	53.8	0	0	0	111.9	A269 W274 Q506 Y507 L508 L512 S513 M514	A269-H510 PolarHBondContact O-NE2 3.04Å; W274-H510 PolarHBondContact O-NE2 3.18Å; Q506-H510 WeakPolarHBondContact O-CB 3.42Å; Q506-H510 PolarHBondContact O-N 2.71Å; Y507-H510 WeakPolarHBondContact O-CB 3.37Å; Y507-H510 PolarHBondContact O-N 3.29Å; L508-H510 VanDerWaalsContact C-N 3.31Å; L508-H510 PolarHBondContact O-N 3.37Å; H510-L512 VanDerWaalsContact C-N 3.35Å; H510-L512 PolarHBondContact O-N 2.89Å; H510-S513 PolarHBondContact O-N 3.48Å; H510-S513 PolarHBondContact O-OG 2.8Å; H510-M514 WeakPolarHBondContact CE1-CE 3.46Å; H510-M514 VanDerWaalsContact NE2-CE 3.31Å; H510-M514 WeakPolarHBondContact NE2-CE 3.42Å; H510-M514 PolarHBondContact O-N 3.27Å
511	W	98.9	Very high	98.1	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-58.9	-43	174	-93.8	82.8	0	0	0	112.8	L275 E277 M279 I445 F447 W464 V468 F494 Y507 L508 S513 M514	L275-W511 HydrophobicContact CD1-CH2 4.23Å; L275-W511 HydrophobicContact CD1-CZ2 4.04Å; L275-W511 HydrophobicContact CD2-CD2 4.38Å; L275-W511 HydrophobicContact CD2-CG 4.42Å; E277-W511 HydrophobicContact CG-CZ2 3.91Å; E277-W511 WeakPolarHBondContact OE1-CZ2 3.31Å; E277-W511 PolarHBondContact OE1-NE1 2.78Å; M279-W511 HydrophobicContact CE-CH2 3.9Å; M279-W511 HydrophobicContact CE-CZ2 4.07Å; I445-W511 HydrophobicContact CD1-CH2 3.84Å; I445-W511 HydrophobicContact CD1-CZ3 3.96Å; F447-W511 HydrophobicContact CZ-CH2 4.36Å; W464-W511 AromaticContact CH2-CE3 3.96Å; W464-W511 HydrophobicContact CH2-CE3 3.96Å; W464-W511 AromaticContact CH2-CZ3 3.74Å; W464-W511 HydrophobicContact CH2-CZ3 3.74Å; W464-W511 AromaticContact CZ2-CE3 3.64Å; W464-W511 HydrophobicContact CZ2-CE3 3.64Å; W464-W511 AromaticContact CZ2-CZ3 3.95Å; W464-W511 HydrophobicContact CZ2-CZ3 3.95Å; W464-W511 PolarHBondContact NE1-O 3.14Å; V468-W511 HydrophobicContact CG1-CB 4.09Å; V468-W511 HydrophobicContact CG2-CB 4.08Å; V468-W511 HydrophobicContact CG2-CE3 4.26Å; F494-W511 HydrophobicContact CD1-CD2 4.34Å; F494-W511 AromaticContact CD1-CE2 3.88Å; F494-W511 HydrophobicContact CD1-CH2 4.35Å; F494-W511 AromaticContact CD1-CZ2 3.87Å; F494-W511 HydrophobicContact CD1-CZ2 3.87Å; F494-W511 AromaticContact CE1-CD2 3.59Å; F494-W511 HydrophobicContact CE1-CD2 3.59Å; F494-W511 AromaticContact CE1-CE2 3.6Å; F494-W511 AromaticContact CE1-CE3 3.85Å; F494-W511 HydrophobicContact CE1-CE3 3.85Å; F494-W511 HydrophobicContact CE1-CG 4.08Å; F494-W511 HydrophobicContact CE1-CH2 4.09Å; F494-W511 AromaticContact CE1-CZ2 3.85Å; F494-W511 HydrophobicContact CE1-CZ2 3.85Å; F494-W511 HydrophobicContact CE1-CZ3 4.09Å; F494-W511 HydrophobicContact CZ-CD2 4.28Å; F494-W511 HydrophobicContact CZ-CG 4.38Å; Y507-W511 AromaticContact CD1-CD1 3.89Å; Y507-W511 AromaticContact CE1-CD1 3.4Å; Y507-W511 VanDerWaalsContact CE1-CD1 3.4Å; Y507-W511 HydrophobicContact CE1-CG 4.34Å; Y507-W511 AromaticContact CE1-NE1 3.53Å; Y507-W511 AromaticContact CE2-CD1 3.86Å; Y507-W511 AromaticContact CE2-NE1 3.58Å; Y507-W511 AromaticContact CZ-CD1 3.41Å; Y507-W511 VanDerWaalsContact CZ-CD1 3.41Å; Y507-W511 AromaticContact CZ-NE1 3.06Å; Y507-W511 PolarHBondContact O-N 2.93Å; Y507-W511 PolarHBondContact OH-NE1 3.38Å; L508-W511 PolarHBondContact O-N 2.81Å; W511-S513 PolarHBondContact O-N 2.85Å; W511-M514 WeakPolarHBondContact O-CB 3.41Å; W511-M514 PolarHBondContact O-N 3.02Å
512	L	98.9	Very high	98.1	Very high	24 Å²	24	40.1 Å²	40.1	13%	0.126	24%	0.239	C	C	.	.	H	α-helix	trans	-61.8	-42.7	176.5	-73.4	168.2	0	0	0	112	Q465 V468 L508 S509 H510 M514 A515 P620 E622 M623	Q465-L512 HydrophobicContact CB-CD2 4.16Å; Q465-L512 HydrophobicContact CG-CD2 3.92Å; V468-L512 HydrophobicContact CB-CD2 4.16Å; V468-L512 HydrophobicContact CG1-CD2 4.18Å; V468-L512 HydrophobicContact CG1-CG 4.14Å; V468-L512 HydrophobicContact CG2-CD2 4.23Å; L508-L512 VanDerWaalsContact O-CG 3.29Å; L508-L512 WeakPolarHBondContact O-CG 3.31Å; L508-L512 PolarHBondContact O-N 3.3Å; S509-L512 PolarHBondContact O-N 3.03Å; H510-L512 VanDerWaalsContact C-N 3.35Å; H510-L512 PolarHBondContact O-N 2.89Å; L512-M514 PolarHBondContact O-N 3.08Å; L512-A515 PolarHBondContact O-N 3.32Å; L512-A515 VanDerWaalsContact O-N 3.12Å; L512-P620 HydrophobicContact CD1-CB 3.85Å; L512-P620 HydrophobicContact CD1-CG 4.32Å; L512-E622 HydrophobicContact CD1-CB 3.93Å; L512-E622 HydrophobicContact CD1-CG 4.32Å; L512-E622 HydrophobicContact CD2-CB 4.36Å; L512-E622 HydrophobicContact CD2-CG 3.83Å; L512-M623 HydrophobicContact CD1-CE 4.23Å; L512-M623 HydrophobicContact CD2-CE 3.91Å; L512-M623 HydrophobicContact CG-CE 4.42Å
513	S	98.7	Very high	98.1	Very high	45 Å²	45	40.5 Å²	40.5	32%	0.315	24%	0.241	S	C	.	.	H	α-helix	trans	-61.3	-17.5	-179.6	79.1	0	0	0	0	114.3	S509 H510 W511 A515 D516	S509-S513 PolarHBondContact O-N 3.46Å; H510-S513 PolarHBondContact O-N 3.48Å; H510-S513 PolarHBondContact O-OG 2.8Å; W511-S513 PolarHBondContact O-N 2.85Å; S513-A515 PolarHBondContact O-N 3.07Å; S513-D516 PolarHBondContact O-N 3.24Å
514	M	98.5	Very high	98.1	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-62.2	-27.6	176.3	-63.6	-59	164	0	0	112.2	L275 F331 W464 H510 W511 L512 D516 R517	L275-M514 HydrophobicContact CD2-CE 3.74Å; L275-M514 HydrophobicContact CG-CE 4Å; F331-M514 HydrophobicContact CD2-SD 4.17Å; F331-M514 HydrophobicContact CE2-CB 4.02Å; F331-M514 HydrophobicContact CE2-CG 4.3Å; F331-M514 HydrophobicContact CE2-SD 3.99Å; W464-M514 HydrophobicContact CZ2-CB 3.82Å; W464-M514 HydrophobicContact CZ2-CG 4.38Å; H510-M514 WeakPolarHBondContact CE1-CE 3.46Å; H510-M514 VanDerWaalsContact NE2-CE 3.31Å; H510-M514 WeakPolarHBondContact NE2-CE 3.42Å; H510-M514 PolarHBondContact O-N 3.27Å; W511-M514 WeakPolarHBondContact O-CB 3.41Å; W511-M514 PolarHBondContact O-N 3.02Å; L512-M514 PolarHBondContact O-N 3.08Å; M514-D516 VanDerWaalsContact C-N 3.26Å; M514-D516 PolarHBondContact O-N 3.41Å; M514-R517 WeakPolarHBondContact O-CB 3.45Å; M514-R517 PolarHBondContact O-N 3.14Å; M514-R517 PolarHBondContact SD-NE 3.26Å; M514-R517 VanDerWaalsContact SD-NE 3.37Å
515	A	97.7	Very high	98.1	Very high	30 Å²	30	43.9 Å²	43.9	25%	0.248	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-69.9	-22.3	175.7	0	0	0	0	0	113.6	W464 L512 S513 R517 L522	W464-A515 HydrophobicContact CG-CB 4.24Å; L512-A515 PolarHBondContact O-N 3.32Å; L512-A515 VanDerWaalsContact O-N 3.12Å; S513-A515 PolarHBondContact O-N 3.07Å; A515-R517 VanDerWaalsContact C-N 3.27Å; A515-R517 PolarHBondContact O-N 3.26Å; A515-L522 HydrophobicContact CB-CD1 3.93Å
516	D	96.8	Very high	98.1	Very high	134 Å²	134	43.8 Å²	43.8	72%	0.717	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-86.2	-2	-179	-55.7	-41.9	0	0	0	112.2	S513 M514 P518	S513-D516 PolarHBondContact O-N 3.24Å; M514-D516 VanDerWaalsContact C-N 3.26Å; M514-D516 PolarHBondContact O-N 3.41Å; D516-P518 WeakPolarHBondContact O-CD 3.43Å
517	R	95.4	Very high	98.1	Very high	70 Å²	70	41.4 Å²	41.4	26%	0.264	24%	0.244	S	C	.	.	S	Bend	trans	-72.2	126.4	-179.9	-74.8	-173	177.4	-137.6	-5.4	111.4	G273 M514 A515 G519 A520	G273-R517 VanDerWaalsContact O-CZ 3.24Å; G273-R517 PolarHBondContact O-NH1 3.47Å; G273-R517 PolarHBondContact O-NH2 3.27Å; M514-R517 WeakPolarHBondContact O-CB 3.45Å; M514-R517 PolarHBondContact O-N 3.14Å; M514-R517 PolarHBondContact SD-NE 3.26Å; M514-R517 VanDerWaalsContact SD-NE 3.37Å; A515-R517 VanDerWaalsContact C-N 3.27Å; A515-R517 PolarHBondContact O-N 3.26Å; R517-G519 PolarHBondContact O-N 3.32Å; R517-A520 HydrophobicContact CB-CB 3.77Å; R517-A520 VanDerWaalsContact O-CB 3.32Å; R517-A520 WeakPolarHBondContact O-CB 3.45Å; R517-A520 PolarHBondContact O-N 3.37Å; R517-A520 VanDerWaalsContact O-N 3.14Å
518	P	95	Very high	98.1	Very high	132 Å²	132	41.4 Å²	41.4	86%	0.857	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.9	127.2	178	-25.9	34.8	0	0	0	112.2	D516 A520	D516-P518 WeakPolarHBondContact O-CD 3.43Å; P518-A520 PolarHBondContact O-N 2.93Å
519	G	96.3	Very high	98.1	Very high	64 Å²	64	41.5 Å²	41.5	66%	0.66	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.4	6.4	177.2	0	0	0	0	0	115.3	G335 R517 K521	G335-G519 WeakPolarHBondContact CA-O 3.4Å; R517-G519 PolarHBondContact O-N 3.32Å; G519-K521 PolarHBondContact O-N 3.43Å
520	A	98	Very high	98.1	Very high	25 Å²	25	39.7 Å²	39.7	21%	0.207	23%	0.229	C	C	.	.			trans	-60.9	123.8	-179.2	0	0	0	0	0	112	F331 R517 P518 L522	F331-A520 HydrophobicContact CD1-CB 4.14Å; F331-A520 HydrophobicContact CE1-CB 3.93Å; F331-A520 HydrophobicContact CZ-CB 4.25Å; R517-A520 HydrophobicContact CB-CB 3.77Å; R517-A520 VanDerWaalsContact O-CB 3.32Å; R517-A520 WeakPolarHBondContact O-CB 3.45Å; R517-A520 PolarHBondContact O-N 3.37Å; R517-A520 VanDerWaalsContact O-N 3.14Å; P518-A520 PolarHBondContact O-N 2.93Å; A520-L522 HydrophobicContact CB-CD2 4.19Å; A520-L522 PolarHBondContact O-N 2.86Å
521	K	98.5	Very high	98	Very high	119 Å²	119	40.2 Å²	40.2	52%	0.517	23%	0.231	S	C	.	.	B	Isolated β-bridge	trans	-90.1	86.7	170.6	-58.6	-180	-167.7	166.9	0	107.6	Q334 G335 N336 G519	Q334-K521 VanDerWaalsContact O-CE 3.31Å; Q334-K521 WeakPolarHBondContact O-CE 3.43Å; G335-K521 WeakPolarHBondContact O-CB 3.38Å; G335-K521 PolarHBondContact O-N 3.12Å; N336-K521 WeakPolarHBondContact OD1-CD 3.17Å; N336-K521 PolarHBondContact OD1-NZ 3.11Å; G519-K521 PolarHBondContact O-N 3.43Å
522	L	98.6	Very high	97.9	Very high	62 Å²	62	40.9 Å²	40.9	33%	0.325	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-64.9	126.1	-178	-60.3	176.4	0	0	0	109.9	F331 W464 A515 A520	F331-L522 HydrophobicContact CZ-CD2 3.86Å; W464-L522 HydrophobicContact CB-CD1 3.84Å; W464-L522 HydrophobicContact CD2-CB 4.5Å; W464-L522 HydrophobicContact CD2-CD1 4.05Å; W464-L522 HydrophobicContact CD2-CD2 4.11Å; W464-L522 HydrophobicContact CD2-CG 4.45Å; W464-L522 HydrophobicContact CE3-CB 3.87Å; W464-L522 HydrophobicContact CE3-CD1 4.24Å; W464-L522 HydrophobicContact CE3-CD2 4.1Å; W464-L522 HydrophobicContact CE3-CG 4.29Å; W464-L522 HydrophobicContact CG-CD1 3.89Å; W464-L522 HydrophobicContact CH2-CD2 4.46Å; W464-L522 HydrophobicContact CZ2-CD2 4.47Å; W464-L522 HydrophobicContact CZ3-CB 4.25Å; W464-L522 HydrophobicContact CZ3-CD2 4.27Å; A515-L522 HydrophobicContact CB-CD1 3.93Å; A520-L522 HydrophobicContact CB-CD2 4.19Å; A520-L522 PolarHBondContact O-N 2.86Å
523	P	98.7	Very high	97.7	Very high	8 Å²	8	43.1 Å²	43.1	5%	0.052	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-64.7	151	175.8	26.6	-33.3	0	0	0	110.4	L337 I442 E443 I445 W464	L337-P523 HydrophobicContact CD2-CG 3.91Å; I442-P523 HydrophobicContact CG2-CB 4.25Å; E443-P523 VanDerWaalsContact C-CB 3.44Å; E443-P523 VanDerWaalsContact O-CA 3.3Å; E443-P523 WeakPolarHBondContact O-CA 3.4Å; E443-P523 WeakPolarHBondContact O-CB 3.33Å; I445-P523 HydrophobicContact CD1-CG 3.6Å; I445-P523 HydrophobicContact CG1-CB 4.16Å; I445-P523 HydrophobicContact CG1-CG 3.73Å; W464-P523 HydrophobicContact CZ3-CG 3.98Å
524	K	98.8	Very high	97.3	Very high	66 Å²	66	41.8 Å²	41.8	29%	0.287	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	140.3	170.2	-74.4	-171.9	176.1	-76.4	0	109.8	E443 A444 I445 E460 F526 R557 V558	E443-K524 PolarHBondContact O-N 2.75Å; A444-K524 CarbonylContact C-O 3.48Å; A444-K524 VanDerWaalsContact CA-O 3.26Å; A444-K524 WeakPolarHBondContact CA-O 3.38Å; I445-K524 PolarHBondContact N-O 3.33Å; E460-K524 WeakPolarHBondContact OE1-CD 3.45Å; E460-K524 IonicContact OE1-NZ 2.81Å; E460-K524 PolarHBondContact OE1-NZ 2.99Å; K524-F526 HydrophobicContact CB-CD2 4.36Å; K524-F526 HydrophobicContact CB-CE2 3.55Å; K524-F526 HydrophobicContact CB-CZ 3.89Å; K524-F526 HydrophobicContact CD-CZ 4.07Å; K524-R557 WeakPolarHBondContact CE-O 3.32Å; K524-V558 HydrophobicContact CD-CG2 4.24Å
525	I	98.9	Very high	96.5	Very high	6 Å²	6	47.8 Å²	47.8	3%	0.031	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	129.2	177.3	-65.4	171.9	0	0	0	109.1	I445 F447 A461 W464	I445-I525 HydrophobicContact CB-CG1 4.33Å; I445-I525 CarbonylContact O-C 3.48Å; I445-I525 WeakPolarHBondContact O-CA 3.3Å; F447-I525 HydrophobicContact CD2-CG2 3.74Å; F447-I525 HydrophobicContact CE2-CG2 3.76Å; A461-I525 HydrophobicContact CB-CB 4.13Å; A461-I525 HydrophobicContact CB-CG2 4.26Å; A461-I525 PolarHBondContact N-O 3.15Å; W464-I525 HydrophobicContact CD2-CD1 4.22Å; W464-I525 HydrophobicContact CE3-CD1 3.6Å; W464-I525 HydrophobicContact CE3-CG1 4.32Å; W464-I525 HydrophobicContact CH2-CD1 4.34Å; W464-I525 HydrophobicContact CZ3-CD1 3.67Å; W464-I525 HydrophobicContact CZ3-CG1 4.19Å
526	F	98.9	Very high	95.6	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	161.6	175.7	-58.3	-88.6	0	0	0	110.7	A444 I445 I446 F447 Y459 E460 K524 W553 M554 R557	A444-F526 HydrophobicContact CB-CD2 4.06Å; A444-F526 HydrophobicContact CB-CE2 3.78Å; I445-F526 PolarHBondContact O-N 2.74Å; I446-F526 WeakPolarHBondContact CA-O 3.34Å; F447-F526 PolarHBondContact N-O 2.98Å; Y459-F526 CarbonylContact O-C 3.57Å; Y459-F526 VanDerWaalsContact O-CA 3.29Å; Y459-F526 WeakPolarHBondContact O-CA 3.45Å; E460-F526 HydrophobicContact CB-CD1 3.62Å; E460-F526 HydrophobicContact CB-CE1 3.59Å; E460-F526 HydrophobicContact CG-CD1 3.93Å; E460-F526 HydrophobicContact CG-CE1 3.6Å; E460-F526 HydrophobicContact CG-CZ 4.19Å; K524-F526 HydrophobicContact CB-CD2 4.36Å; K524-F526 HydrophobicContact CB-CE2 3.55Å; K524-F526 HydrophobicContact CB-CZ 3.89Å; K524-F526 HydrophobicContact CD-CZ 4.07Å; F526-W553 HydrophobicContact CD1-CH2 4.47Å; F526-W553 AromaticContact CD1-CZ3 3.73Å; F526-W553 HydrophobicContact CD1-CZ3 3.73Å; F526-W553 HydrophobicContact CE1-CE3 4.29Å; F526-W553 HydrophobicContact CE1-CH2 4.22Å; F526-W553 AromaticContact CE1-CZ3 3.63Å; F526-W553 HydrophobicContact CE1-CZ3 3.63Å; F526-M554 HydrophobicContact CB-CE 3.52Å; F526-M554 HydrophobicContact CB-SD 4.31Å; F526-M554 HydrophobicContact CD1-CE 4.22Å; F526-M554 HydrophobicContact CD1-CG 3.89Å; F526-M554 HydrophobicContact CD2-CB 4.47Å; F526-M554 HydrophobicContact CD2-CE 4.43Å; F526-M554 HydrophobicContact CD2-CG 4.05Å; F526-M554 HydrophobicContact CD2-SD 4.15Å; F526-M554 HydrophobicContact CE1-CB 4.36Å; F526-M554 HydrophobicContact CE1-CG 3.93Å; F526-M554 HydrophobicContact CE2-CB 4.08Å; F526-M554 HydrophobicContact CE2-CG 4.09Å; F526-M554 HydrophobicContact CG-CE 3.83Å; F526-M554 HydrophobicContact CG-CG 3.94Å; F526-M554 HydrophobicContact CG-SD 4.11Å; F526-M554 HydrophobicContact CZ-CB 4.02Å; F526-M554 HydrophobicContact CZ-CG 4.03Å; F526-R557 HydrophobicContact CE1-CB 4.17Å; F526-R557 HydrophobicContact CE1-CG 4.44Å; F526-R557 HydrophobicContact CZ-CB 3.98Å
527	H	98.9	Very high	94.5	Very high	8 Å²	8	53.6 Å²	53.6	4%	0.037	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	138.3	166	-179.6	-62.8	0	0	0	110	F447 V458 Y459 V470	F447-H527 HydrophobicContact CB-CB 4.49Å; F447-H527 CarbonylContact O-C 3.46Å; F447-H527 WeakPolarHBondContact O-CA 3.35Å; V458-H527 CarbonylContact C-O 3.54Å; V458-H527 VanDerWaalsContact CA-O 3.27Å; V458-H527 WeakPolarHBondContact CA-O 3.06Å; Y459-H527 HydrophobicContact CD1-CB 4.01Å; Y459-H527 HydrophobicContact CD2-CB 4.24Å; Y459-H527 HydrophobicContact CE1-CB 3.45Å; Y459-H527 VanDerWaalsContact CE1-CB 3.45Å; Y459-H527 AromaticContact CE1-CG 3.46Å; Y459-H527 VanDerWaalsContact CE1-CG 3.46Å; Y459-H527 AromaticContact CE1-ND1 3.35Å; Y459-H527 WeakPolarHBondContact CE1-ND1 3.36Å; Y459-H527 HydrophobicContact CE2-CB 3.7Å; Y459-H527 HydrophobicContact CG-CB 4.38Å; Y459-H527 AromaticContact CZ-CG 3.45Å; Y459-H527 VanDerWaalsContact CZ-CG 3.45Å; Y459-H527 AromaticContact CZ-ND1 3.84Å; Y459-H527 PolarHBondContact N-O 2.84Å; Y459-H527 PolarHBondContact O-N 3.27Å; Y459-H527 WeakPolarHBondContact OH-CB 3.46Å; Y459-H527 PolarHBondContact OH-CD2 3.29Å; V470-H527 HydrophobicContact CG1-CB 3.62Å
528	V	98.9	Very high	94.2	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.006	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	155.8	-179.2	-62.5	0	0	0	0	112.4	F298 I446 F447 G448 L457 V458 W530 V550 M554	F298-V528 HydrophobicContact CE1-CG2 3.54Å; F298-V528 HydrophobicContact CZ-CG2 3.65Å; I446-V528 HydrophobicContact CG2-CB 4.4Å; I446-V528 HydrophobicContact CG2-CG1 3.78Å; I446-V528 HydrophobicContact CG2-CG2 3.79Å; F447-V528 WeakPolarHBondContact O-CG2 3.2Å; F447-V528 PolarHBondContact O-N 3.36Å; G448-V528 VanDerWaalsContact CA-O 3.29Å; G448-V528 WeakPolarHBondContact CA-O 3.45Å; L457-V528 CarbonylContact O-C 3.56Å; L457-V528 WeakPolarHBondContact O-CA 3.25Å; V458-V528 HydrophobicContact CB-CG1 4.23Å; V458-V528 HydrophobicContact CG2-CG1 4.01Å; V528-W530 HydrophobicContact CB-CD2 4.42Å; V528-W530 HydrophobicContact CB-CH2 3.79Å; V528-W530 HydrophobicContact CB-CZ2 3.65Å; V528-W530 HydrophobicContact CB-CZ3 4.22Å; V528-W530 HydrophobicContact CG1-CH2 3.69Å; V528-W530 HydrophobicContact CG1-CZ2 3.83Å; V528-W530 HydrophobicContact CG1-CZ3 4.39Å; V528-W530 HydrophobicContact CG2-CD2 4.39Å; V528-W530 HydrophobicContact CG2-CH2 4.15Å; V528-W530 HydrophobicContact CG2-CZ2 3.47Å; V528-W530 VanDerWaalsContact CG2-CZ2 3.47Å; V528-V550 HydrophobicContact CG1-CG1 4.1Å; V528-M554 HydrophobicContact CG1-CE 3.34Å
529	N	98.6	Very high	94.2	Very high	1 Å²	1	51 Å²	51	1%	0.005	29%	0.288	C	S	.	.			trans	-140.5	100.5	170.2	-179.4	20.7	0	0	0	110.9	G449 R451 V455 P456 L457 F531	G449-N529 PolarHBondContact O-OD1 2.84Å; R451-N529 PolarHBondContact N-OD1 2.97Å; R451-N529 PolarHBondContact O-ND2 3.43Å; R451-N529 PolarHBondContact O-OD1 2.82Å; V455-N529 HydrophobicContact CB-CB 4.39Å; V455-N529 HydrophobicContact CG1-CB 4Å; V455-N529 PolarHBondContact O-ND2 3.39Å; P456-N529 WeakPolarHBondContact O-CB 3.4Å; L457-N529 PolarHBondContact O-N 3.14Å; N529-F531 PolarHBondContact O-N 2.78Å; N529-F531 PolarHBondContact OD1-N 3.16Å
530	W	98.3	Very high	94.2	Very high	19 Å²	19	48.6 Å²	48.6	7%	0.072	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-9.3	175.8	-44.5	128.9	0	0	0	113.5	F298 L457 V528 W541 N547 V550	F298-W530 AromaticContact CE2-NE1 3.95Å; F298-W530 AromaticContact CZ-NE1 3.98Å; L457-W530 HydrophobicContact CD1-CE3 3.61Å; L457-W530 HydrophobicContact CD1-CZ3 3.65Å; L457-W530 HydrophobicContact CG-CZ3 4.48Å; V528-W530 HydrophobicContact CB-CD2 4.42Å; V528-W530 HydrophobicContact CB-CH2 3.79Å; V528-W530 HydrophobicContact CB-CZ2 3.65Å; V528-W530 HydrophobicContact CB-CZ3 4.22Å; V528-W530 HydrophobicContact CG1-CH2 3.69Å; V528-W530 HydrophobicContact CG1-CZ2 3.83Å; V528-W530 HydrophobicContact CG1-CZ3 4.39Å; V528-W530 HydrophobicContact CG2-CD2 4.39Å; V528-W530 HydrophobicContact CG2-CH2 4.15Å; V528-W530 HydrophobicContact CG2-CZ2 3.47Å; V528-W530 VanDerWaalsContact CG2-CZ2 3.47Å; W530-W541 AromaticContact CE3-CD1 3.94Å; W530-N547 HydrophobicContact CH2-CB 4.06Å; W530-N547 HydrophobicContact CZ2-CB 4.34Å; W530-N547 HydrophobicContact CZ3-CB 4.22Å; W530-N547 WeakPolarHBondContact CZ3-OD1 3.47Å; W530-V550 HydrophobicContact CH2-CB 3.9Å; W530-V550 HydrophobicContact CH2-CG1 3.76Å; W530-V550 HydrophobicContact CH2-CG2 4.28Å; W530-V550 HydrophobicContact CZ3-CB 4.02Å; W530-V550 HydrophobicContact CZ3-CG1 4.11Å; W530-V550 HydrophobicContact CZ3-CG2 3.87Å
531	F	96.9	Very high	94.2	Very high	29 Å²	29	47.7 Å²	47.7	13%	0.127	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.5	9.2	-158.9	-57.2	-79.6	0	0	0	113.6	R450 R451 N529 K533 F539	R450-F531 HydrophobicContact CB-CB 4.32Å; R450-F531 HydrophobicContact CB-CD2 4.14Å; R450-F531 HydrophobicContact CB-CG 4.16Å; R450-F531 HydrophobicContact CG-CB 4.34Å; R450-F531 HydrophobicContact CG-CD1 3.91Å; R450-F531 HydrophobicContact CG-CD2 3.59Å; R450-F531 HydrophobicContact CG-CE1 4.04Å; R450-F531 HydrophobicContact CG-CE2 3.72Å; R450-F531 HydrophobicContact CG-CG 3.67Å; R450-F531 HydrophobicContact CG-CZ 3.94Å; R451-F531 CarbonylContact O-C 3.52Å; N529-F531 PolarHBondContact O-N 2.78Å; N529-F531 PolarHBondContact OD1-N 3.16Å; F531-K533 PolarHBondContact O-N 2.81Å; F531-F539 HydrophobicContact CB-CE1 4.13Å; F531-F539 HydrophobicContact CD1-CE1 4.06Å; F531-F539 HydrophobicContact CD1-CZ 4.45Å
532	R	97	Very high	94	Very high	14 Å²	14	44.8 Å²	44.8	5%	0.053	25%	0.245	C	C	.	.			trans	-60.1	133.7	174	-158.1	-178.7	173.9	153.3	2.3	109.5	R451 L540 E591 L592 S594	R451-R532 WeakPolarHBondContact O-CA 3.31Å; R451-R532 PolarHBondContact O-N 2.85Å; R532-L540 HydrophobicContact CB-CD1 4.26Å; R532-L540 HydrophobicContact CG-CD1 3.86Å; R532-L540 PolarHBondContact O-N 3.29Å; R532-E591 PolarHBondContact NE-O 2.85Å; R532-E591 PolarHBondContact NH1-O 2.74Å; R532-E591 VanDerWaalsContact NH1-O 3.15Å; R532-E591 PolarHBondContact NH2-O 3.34Å; R532-E591 VanDerWaalsContact NH2-O 3.07Å; R532-L592 HydrophobicContact CB-CD1 4.29Å; R532-L592 PolarHBondContact NH1-O 3.22Å; R532-S594 PolarHBondContact NH1-O 3.37Å; R532-S594 PolarHBondContact NH2-O 3.47Å; R532-S594 PolarHBondContact NH2-OG 2.73Å
533	K	94.4	Very high	93.9	Very high	71 Å²	71	42.2 Å²	42.2	31%	0.309	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	144.2	-178.7	-69.7	175.8	-175.6	167	0	110.7	P452 F531 G538 F539	P452-K533 HydrophobicContact CB-CD 4.4Å; P452-K533 PolarHBondContact O-N 2.87Å; F531-K533 PolarHBondContact O-N 2.81Å; K533-G538 CarbonylContact C-O 3.56Å; K533-G538 WeakPolarHBondContact CA-O 3.35Å; K533-F539 HydrophobicContact CD-CE1 4.27Å; K533-F539 VanDerWaalsContact CE-CZ 3.5Å; K533-F539 HydrophobicContact CG-CD1 3.76Å; K533-F539 HydrophobicContact CG-CE1 3.95Å; K533-F539 HydrophobicContact CG-CG 4.45Å
534	S	89.2	Confident	93.8	Very high	18 Å²	18	45.9 Å²	45.9	13%	0.126	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	142.4	161.5	-175.8	0	0	0	0	108.9	K536 G538 E591	S534-K536 PolarHBondContact O-N 2.96Å; S534-K536 VanDerWaalsContact O-N 3.07Å; S534-K536 PolarHBondContact OG-N 2.82Å; S534-G538 PolarHBondContact N-O 3.49Å; S534-E591 WeakPolarHBondContact CB-OE1 3.24Å; S534-E591 PolarHBondContact OG-OE1 2.67Å; S534-E591 VanDerWaalsContact OG-OE1 3.08Å
535	P	82.4	Confident	93.8	Very high	127 Å²	127	43.4 Å²	43.4	83%	0.825	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-23	171	-25.6	34.5	0	0	0	113.9
536	K	78.8	Confident	93.7	Very high	207 Å²	207	44.2 Å²	44.2	90%	0.9	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-115.6	-31.2	-174.1	-60.7	-177.9	-176.7	177.7	0	114.5	S534	S534-K536 PolarHBondContact O-N 2.96Å; S534-K536 VanDerWaalsContact O-N 3.07Å; S534-K536 PolarHBondContact OG-N 2.82Å
537	A	74.5	Confident	93.7	Very high	79 Å²	79	44.7 Å²	44.7	65%	0.653	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.9	4.1	-167.7	0	0	0	0	0	115.1
538	G	89.6	Confident	93.7	Very high	38 Å²	38	44.3 Å²	44.3	39%	0.392	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	76	-141.7	-175.7	0	0	0	0	0	111.8	K533 S534 L540	K533-G538 CarbonylContact C-O 3.56Å; K533-G538 WeakPolarHBondContact CA-O 3.35Å; S534-G538 PolarHBondContact N-O 3.49Å; G538-L540 PolarHBondContact O-N 3.25Å
539	F	94.9	Very high	93.7	Very high	108 Å²	108	44.6 Å²	44.6	47%	0.474	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	131.5	178.9	-70	-68.7	0	0	0	111.4	F531 K533 W541	F531-F539 HydrophobicContact CB-CE1 4.13Å; F531-F539 HydrophobicContact CD1-CE1 4.06Å; F531-F539 HydrophobicContact CD1-CZ 4.45Å; K533-F539 HydrophobicContact CD-CE1 4.27Å; K533-F539 VanDerWaalsContact CE-CZ 3.5Å; K533-F539 HydrophobicContact CG-CD1 3.76Å; K533-F539 HydrophobicContact CG-CE1 3.95Å; K533-F539 HydrophobicContact CG-CG 4.45Å; F539-W541 VanDerWaalsContact C-N 3.28Å; F539-W541 PolarHBondContact O-N 3.17Å
540	L	95.9	Very high	93.7	Very high	15 Å²	15	44.6 Å²	44.6	8%	0.079	25%	0.248	C	C	.	.	S	Bend	trans	-74.9	-19.7	179.5	-74.6	172	0	0	0	113.3	R532 G538 E591 L592	R532-L540 HydrophobicContact CB-CD1 4.26Å; R532-L540 HydrophobicContact CG-CD1 3.86Å; R532-L540 PolarHBondContact O-N 3.29Å; G538-L540 PolarHBondContact O-N 3.25Å; L540-E591 HydrophobicContact CD1-CB 4.45Å; L540-E591 HydrophobicContact CD1-CG 3.82Å; L540-E591 HydrophobicContact CD2-CG 4.2Å; L540-L592 HydrophobicContact CB-CD1 3.84Å; L540-L592 HydrophobicContact CD1-CD1 4.45Å
541	W	97.3	Very high	93.7	Very high	6 Å²	6	43.7 Å²	43.7	2%	0.023	25%	0.245	C	C	.	.	S	Bend	trans	-123	133.9	-179	-174.6	-111.4	0	0	0	110.2	L457 W530 F539 G543 D546 N547 R549 V550 L580 L583 V587 L592	L457-W541 HydrophobicContact CD1-CB 4.14Å; L457-W541 HydrophobicContact CD1-CD2 3.88Å; L457-W541 HydrophobicContact CD1-CG 3.64Å; L457-W541 HydrophobicContact CD2-CD2 3.9Å; L457-W541 HydrophobicContact CD2-CE3 3.86Å; L457-W541 HydrophobicContact CD2-CH2 4.26Å; L457-W541 HydrophobicContact CD2-CZ2 4.28Å; L457-W541 HydrophobicContact CD2-CZ3 4.06Å; W530-W541 AromaticContact CE3-CD1 3.94Å; F539-W541 VanDerWaalsContact C-N 3.28Å; F539-W541 PolarHBondContact O-N 3.17Å; W541-G543 VanDerWaalsContact C-N 3.27Å; W541-G543 VanDerWaalsContact CD1-N 3.26Å; W541-G543 PolarHBondContact O-N 2.87Å; W541-D546 HydrophobicContact CZ2-CB 4.18Å; W541-D546 WeakPolarHBondContact CZ2-O 3.31Å; W541-N547 PolarHBondContact NE1-OD1 2.89Å; W541-R549 HydrophobicContact CH2-CB 4.25Å; W541-R549 HydrophobicContact CZ2-CB 4.32Å; W541-V550 HydrophobicContact CZ2-CG2 4.33Å; W541-L580 HydrophobicContact CH2-CD2 4.36Å; W541-L580 HydrophobicContact CZ3-CD2 4.21Å; W541-L583 HydrophobicContact CH2-CD1 4.04Å; W541-L583 HydrophobicContact CZ3-CD1 4.21Å; W541-V587 HydrophobicContact CE3-CG1 3.96Å; W541-V587 HydrophobicContact CE3-CG2 4.2Å; W541-V587 HydrophobicContact CZ3-CG1 4.12Å; W541-V587 HydrophobicContact CZ3-CG2 4.15Å; W541-L592 HydrophobicContact CB-CD1 4.47Å; W541-L592 HydrophobicContact CB-CD2 4.46Å; W541-L592 HydrophobicContact CE3-CD2 3.83Å
542	P	95.4	Very high	93.7	Very high	57 Å²	57	42.9 Å²	42.9	37%	0.37	24%	0.242	S	C	.	.			trans	-65.3	-27	-178.8	23.8	-34.6	0	0	0	113.9	D546 L583	P542-D546 HydrophobicContact CB-CB 4.5Å; P542-D546 HydrophobicContact CG-CB 3.81Å; P542-D546 WeakPolarHBondContact CG-OD2 3.39Å; P542-L583 HydrophobicContact CG-CD1 4.04Å; P542-L583 HydrophobicContact CG-CD2 4.26Å
543	G	96.6	Very high	93.8	Very high	8 Å²	8	42.2 Å²	42.2	8%	0.082	24%	0.239	C	C	.	.			trans	72.5	-159.4	176.8	0	0	0	0	0	114	W541 G545 D546 N547	W541-G543 VanDerWaalsContact C-N 3.27Å; W541-G543 VanDerWaalsContact CD1-N 3.26Å; W541-G543 PolarHBondContact O-N 2.87Å; G543-G545 PolarHBondContact O-N 3.12Å; G543-D546 WeakPolarHBondContact O-CB 3.47Å; G543-D546 PolarHBondContact O-N 3.3Å; G543-N547 WeakPolarHBondContact CA-OD1 3.38Å
544	F	96.7	Very high	94	Very high	85 Å²	85	38.9 Å²	38.9	37%	0.373	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	48.8	-123.7	175.7	-53	-70.8	0	0	0	112.5	L310 T357 D546 N547	L310-F544 WeakPolarHBondContact CD1-O 3.19Å; T357-F544 VanDerWaalsContact CB-CE1 3.41Å; T357-F544 HydrophobicContact CG2-CD1 4.09Å; T357-F544 HydrophobicContact CG2-CD2 4.43Å; T357-F544 HydrophobicContact CG2-CE1 3.57Å; T357-F544 HydrophobicContact CG2-CE2 3.94Å; T357-F544 HydrophobicContact CG2-CG 4.49Å; T357-F544 HydrophobicContact CG2-CZ 3.47Å; T357-F544 VanDerWaalsContact CG2-CZ 3.47Å; T357-F544 WeakPolarHBondContact O-CD1 3.38Å; F544-D546 PolarHBondContact O-N 3.28Å; F544-N547 VanDerWaalsContact O-CB 3.25Å; F544-N547 WeakPolarHBondContact O-CB 3.45Å; F544-N547 PolarHBondContact O-N 3.26Å
545	G	97.5	Very high	94.5	Very high	14 Å²	14	38.1 Å²	38.1	14%	0.144	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-59.8	-27.4	-178.4	0	0	0	0	0	114.3	C311 T313 G543 N547 I548	C311-G545 WeakPolarHBondContact O-CA 3.48Å; T313-G545 PolarHBondContact N-O 3.47Å; T313-G545 PolarHBondContact OG1-O 3.17Å; G543-G545 PolarHBondContact O-N 3.12Å; G545-N547 PolarHBondContact O-N 2.76Å; G545-I548 WeakPolarHBondContact O-CG2 3.5Å; G545-I548 PolarHBondContact O-N 3.12Å
546	D	97.9	Very high	95.2	Very high	24 Å²	24	35 Å²	35	13%	0.128	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-73	-15	176.9	-76.4	-52.2	0	0	0	113.1	T313 W541 P542 G543 F544 I548 R549 L583	T313-D546 WeakPolarHBondContact OG1-CA 3.47Å; T313-D546 PolarHBondContact OG1-OD1 2.96Å; W541-D546 HydrophobicContact CZ2-CB 4.18Å; W541-D546 WeakPolarHBondContact CZ2-O 3.31Å; P542-D546 HydrophobicContact CB-CB 4.5Å; P542-D546 HydrophobicContact CG-CB 3.81Å; P542-D546 WeakPolarHBondContact CG-OD2 3.39Å; G543-D546 WeakPolarHBondContact O-CB 3.47Å; G543-D546 PolarHBondContact O-N 3.3Å; F544-D546 PolarHBondContact O-N 3.28Å; D546-I548 PolarHBondContact O-N 3.32Å; D546-R549 WeakPolarHBondContact O-CB 3.45Å; D546-R549 WeakPolarHBondContact O-CG 3.34Å; D546-R549 PolarHBondContact O-N 3.35Å; D546-R549 IonicContact OD1-CZ 3.64Å; D546-R549 IonicContact OD1-NE 2.64Å; D546-R549 PolarHBondContact OD1-NE 3.41Å; D546-R549 IonicContact OD1-NH2 3.32Å; D546-R549 PolarHBondContact OD1-NH2 3.3Å; D546-L583 HydrophobicContact CB-CD1 4.31Å
547	N	98.6	Very high	96.1	Very high	10 Å²	10	26.8 Å²	26.8	5%	0.053	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-60.4	-16.8	172.1	-68.7	-14.3	0	0	0	112.5	L307 L310 W530 W541 G543 F544 G545 R549 V550 L551	L307-N547 HydrophobicContact CD1-CB 4.17Å; L310-N547 HydrophobicContact CD1-CB 3.77Å; W530-N547 HydrophobicContact CH2-CB 4.06Å; W530-N547 HydrophobicContact CZ2-CB 4.34Å; W530-N547 HydrophobicContact CZ3-CB 4.22Å; W530-N547 WeakPolarHBondContact CZ3-OD1 3.47Å; W541-N547 PolarHBondContact NE1-OD1 2.89Å; G543-N547 WeakPolarHBondContact CA-OD1 3.38Å; F544-N547 VanDerWaalsContact O-CB 3.25Å; F544-N547 WeakPolarHBondContact O-CB 3.45Å; F544-N547 PolarHBondContact O-N 3.26Å; G545-N547 PolarHBondContact O-N 2.76Å; N547-R549 PolarHBondContact O-N 3.25Å; N547-V550 PolarHBondContact O-N 2.89Å; N547-L551 PolarHBondContact O-N 3.32Å; N547-L551 VanDerWaalsContact O-N 3.1Å
548	I	98.6	Very high	97.2	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-54.7	-31.2	170.1	-168.6	68.4	0	0	0	112.5	I284 L310 P312 L314 W317 V319 G545 D546 V550 L551 D552	I284-I548 HydrophobicContact CD1-CD1 3.62Å; I284-I548 HydrophobicContact CG1-CD1 4.33Å; L310-I548 HydrophobicContact CD2-CB 4.02Å; L310-I548 HydrophobicContact CD2-CD1 4.27Å; P312-I548 HydrophobicContact CB-CB 4.21Å; P312-I548 HydrophobicContact CB-CD1 4.21Å; P312-I548 HydrophobicContact CB-CG1 3.94Å; P312-I548 HydrophobicContact CB-CG2 4.39Å; P312-I548 HydrophobicContact CG-CD1 4.17Å; P312-I548 HydrophobicContact CG-CG1 4.46Å; L314-I548 HydrophobicContact CB-CG1 4.49Å; L314-I548 HydrophobicContact CB-CG2 3.84Å; L314-I548 HydrophobicContact CD1-CG2 4.04Å; L314-I548 HydrophobicContact CG-CG2 3.74Å; W317-I548 HydrophobicContact CB-CD1 3.89Å; W317-I548 HydrophobicContact CB-CG1 3.8Å; W317-I548 HydrophobicContact CD2-CD1 4.22Å; W317-I548 HydrophobicContact CD2-CG1 4.22Å; W317-I548 HydrophobicContact CE3-CD1 4.09Å; W317-I548 HydrophobicContact CG-CD1 4.17Å; W317-I548 HydrophobicContact CG-CG1 3.9Å; V319-I548 HydrophobicContact CG2-CD1 3.87Å; G545-I548 WeakPolarHBondContact O-CG2 3.5Å; G545-I548 PolarHBondContact O-N 3.12Å; D546-I548 PolarHBondContact O-N 3.32Å; I548-V550 VanDerWaalsContact C-N 3.27Å; I548-V550 PolarHBondContact O-N 3.39Å; I548-L551 HydrophobicContact CD1-CB 4.47Å; I548-L551 HydrophobicContact CD1-CD1 4.45Å; I548-L551 CarbonylContact O-C 3.3Å; I548-L551 PolarHBondContact O-N 3.4Å; I548-D552 WeakPolarHBondContact O-CB 3.3Å; I548-D552 PolarHBondContact O-N 3.15Å
549	R	98.1	Very high	97.4	Very high	7 Å²	7	25.8 Å²	25.8	3%	0.026	13%	0.13	C	C	.	.	H	α-helix	trans	-66.7	-32.1	179.9	-60.1	165.1	-173.5	-79	0.7	112.1	L314 W541 D546 N547 W553 N579 Q581 L583	L314-R549 HydrophobicContact CD1-CG 3.82Å; L314-R549 HydrophobicContact CD2-CG 4.45Å; L314-R549 HydrophobicContact CG-CG 4Å; W541-R549 HydrophobicContact CH2-CB 4.25Å; W541-R549 HydrophobicContact CZ2-CB 4.32Å; D546-R549 WeakPolarHBondContact O-CB 3.45Å; D546-R549 WeakPolarHBondContact O-CG 3.34Å; D546-R549 PolarHBondContact O-N 3.35Å; D546-R549 IonicContact OD1-CZ 3.64Å; D546-R549 IonicContact OD1-NE 2.64Å; D546-R549 PolarHBondContact OD1-NE 3.41Å; D546-R549 IonicContact OD1-NH2 3.32Å; D546-R549 PolarHBondContact OD1-NH2 3.3Å; N547-R549 PolarHBondContact O-N 3.25Å; R549-W553 PolarHBondContact O-N 2.86Å; R549-N579 VanDerWaalsContact CD-O 3.23Å; R549-N579 WeakPolarHBondContact CD-O 3.45Å; R549-N579 VanDerWaalsContact CG-O 3.27Å; R549-N579 WeakPolarHBondContact CG-O 3.3Å; R549-N579 PolarHBondContact NH1-O 2.9Å; R549-Q581 PolarHBondContact NH1-O 2.97Å; R549-Q581 PolarHBondContact NH2-O 3.12Å; R549-L583 VanDerWaalsContact NE-CD1 3.34Å
550	V	98.6	Very high	97.3	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-78.2	-39.6	174.2	173.4	0	0	0	0	110.6	L457 V458 V528 W530 W541 N547 I548 D552 W553 M554	L457-V550 HydrophobicContact CD1-CG2 4.24Å; L457-V550 HydrophobicContact CD2-CG2 3.56Å; L457-V550 HydrophobicContact CG-CG2 3.84Å; V458-V550 HydrophobicContact CB-CG1 3.75Å; V458-V550 HydrophobicContact CG1-CG1 4.06Å; V458-V550 HydrophobicContact CG2-CG1 3.8Å; V528-V550 HydrophobicContact CG1-CG1 4.1Å; W530-V550 HydrophobicContact CH2-CB 3.9Å; W530-V550 HydrophobicContact CH2-CG1 3.76Å; W530-V550 HydrophobicContact CH2-CG2 4.28Å; W530-V550 HydrophobicContact CZ3-CB 4.02Å; W530-V550 HydrophobicContact CZ3-CG1 4.11Å; W530-V550 HydrophobicContact CZ3-CG2 3.87Å; W541-V550 HydrophobicContact CZ2-CG2 4.33Å; N547-V550 PolarHBondContact O-N 2.89Å; I548-V550 VanDerWaalsContact C-N 3.27Å; I548-V550 PolarHBondContact O-N 3.39Å; V550-D552 VanDerWaalsContact C-N 3.33Å; V550-D552 PolarHBondContact O-N 3.32Å; V550-W553 PolarHBondContact O-N 3.42Å; V550-M554 HydrophobicContact CG1-CE 3.78Å; V550-M554 HydrophobicContact CG1-SD 4.46Å; V550-M554 WeakPolarHBondContact O-CG 3.45Å; V550-M554 PolarHBondContact O-N 3.49Å
551	L	98.7	Very high	97	Very high	1 Å²	1	28 Å²	28	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-64.7	-35.9	174.3	-61.7	-178.9	0	0	0	112.4	L282 I284 M294 L307 I446 N547 I548 M554 F555	L282-L551 HydrophobicContact CD2-CD1 4.47Å; I284-L551 HydrophobicContact CD1-CB 3.52Å; I284-L551 HydrophobicContact CD1-CD1 4.13Å; I284-L551 HydrophobicContact CD1-CG 4.48Å; M294-L551 HydrophobicContact SD-CD2 4.12Å; L307-L551 HydrophobicContact CD1-CD1 3.96Å; L307-L551 HydrophobicContact CD1-CG 4.45Å; I446-L551 HydrophobicContact CD1-CD2 3.89Å; N547-L551 PolarHBondContact O-N 3.32Å; N547-L551 VanDerWaalsContact O-N 3.1Å; I548-L551 HydrophobicContact CD1-CB 4.47Å; I548-L551 HydrophobicContact CD1-CD1 4.45Å; I548-L551 CarbonylContact O-C 3.3Å; I548-L551 PolarHBondContact O-N 3.4Å; L551-M554 HydrophobicContact CD2-SD 4.05Å; L551-M554 PolarHBondContact O-N 2.77Å; L551-F555 VanDerWaalsContact O-CB 3.28Å; L551-F555 WeakPolarHBondContact O-CB 3.15Å; L551-F555 PolarHBondContact O-N 2.86Å
552	D	98.1	Very high	96.7	Very high	12 Å²	12	28.4 Å²	28.4	6%	0.064	16%	0.163	C	C	.	.	H	α-helix	trans	-56.9	-49.6	170.9	160.7	41.3	0	0	0	111	W317 I548 V550 M554 F555 R556	W317-D552 HydrophobicContact CH2-CB 3.87Å; W317-D552 HydrophobicContact CZ2-CB 3.5Å; W317-D552 WeakPolarHBondContact CZ2-OD1 3.46Å; I548-D552 WeakPolarHBondContact O-CB 3.3Å; I548-D552 PolarHBondContact O-N 3.15Å; V550-D552 VanDerWaalsContact C-N 3.33Å; V550-D552 PolarHBondContact O-N 3.32Å; D552-M554 PolarHBondContact O-N 2.91Å; D552-F555 WeakPolarHBondContact O-CB 3.28Å; D552-F555 PolarHBondContact O-N 2.93Å; D552-R556 PolarHBondContact O-N 3.25Å; D552-R556 IonicContact OD1-CZ 3.43Å; D552-R556 IonicContact OD1-NE 3.94Å; D552-R556 PolarHBondContact OD1-NE 3.25Å; D552-R556 IonicContact OD1-NH2 2.83Å; D552-R556 PolarHBondContact OD1-NH2 3.17Å; D552-R556 IonicContact OD2-CZ 3.57Å; D552-R556 IonicContact OD2-NE 3.27Å; D552-R556 IonicContact OD2-NH2 3.84Å; D552-R556 PolarHBondContact OD2-NH2 3.23Å
553	W	98.4	Very high	96.3	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-59.8	-46.1	176.4	-179.6	81.6	0	0	0	111.6	V458 E460 F526 R549 V550 F555 R556 R557 T562 A564 P573 L578	V458-W553 HydrophobicContact CG1-CE3 4.18Å; V458-W553 HydrophobicContact CG1-CZ3 4.26Å; V458-W553 HydrophobicContact CG2-CE3 3.96Å; V458-W553 HydrophobicContact CG2-CZ3 3.65Å; E460-W553 HydrophobicContact CB-CH2 4.07Å; F526-W553 HydrophobicContact CD1-CH2 4.47Å; F526-W553 AromaticContact CD1-CZ3 3.73Å; F526-W553 HydrophobicContact CD1-CZ3 3.73Å; F526-W553 HydrophobicContact CE1-CE3 4.29Å; F526-W553 HydrophobicContact CE1-CH2 4.22Å; F526-W553 AromaticContact CE1-CZ3 3.63Å; F526-W553 HydrophobicContact CE1-CZ3 3.63Å; R549-W553 PolarHBondContact O-N 2.86Å; V550-W553 PolarHBondContact O-N 3.42Å; W553-F555 VanDerWaalsContact C-N 3.34Å; W553-F555 PolarHBondContact O-N 2.98Å; W553-R556 PolarHBondContact O-N 2.8Å; W553-R557 HydrophobicContact CD2-CG 3.8Å; W553-R557 HydrophobicContact CE3-CG 4.11Å; W553-R557 HydrophobicContact CG-CG 4.39Å; W553-R557 HydrophobicContact CH2-CG 4.04Å; W553-R557 HydrophobicContact CZ2-CG 3.72Å; W553-R557 HydrophobicContact CZ3-CG 4.22Å; W553-R557 WeakPolarHBondContact O-CB 3.32Å; W553-R557 VanDerWaalsContact O-CG 3.23Å; W553-R557 WeakPolarHBondContact O-CG 3.37Å; W553-R557 PolarHBondContact O-N 2.88Å; W553-T562 HydrophobicContact CG-CG2 4.49Å; W553-A564 HydrophobicContact CZ2-CB 3.98Å; W553-P573 HydrophobicContact CD2-CB 4.43Å; W553-P573 HydrophobicContact CD2-CG 4Å; W553-P573 HydrophobicContact CE3-CG 4.42Å; W553-P573 HydrophobicContact CG-CG 4.43Å; W553-P573 HydrophobicContact CH2-CG 4.37Å; W553-P573 HydrophobicContact CZ2-CB 4.29Å; W553-P573 HydrophobicContact CZ2-CG 3.95Å; W553-L578 HydrophobicContact CB-CD2 3.75Å; W553-L578 HydrophobicContact CG-CD2 4.13Å
554	M	98.7	Very high	96.2	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-59.5	-43.4	175.5	-67.2	175.4	176.1	0	0	112.2	M294 I446 V458 F526 V528 V550 L551 D552 R556 R557 V558	M294-M554 HydrophobicContact CE-CB 4.03Å; M294-M554 HydrophobicContact SD-CB 4.42Å; I446-M554 HydrophobicContact CD1-CE 4.24Å; I446-M554 HydrophobicContact CD1-SD 3.53Å; I446-M554 VanDerWaalsContact CD1-SD 3.53Å; I446-M554 HydrophobicContact CG1-CE 4.18Å; I446-M554 HydrophobicContact CG1-SD 3.82Å; I446-M554 HydrophobicContact CG2-CE 4.01Å; V458-M554 HydrophobicContact CG2-CE 3.48Å; V458-M554 VanDerWaalsContact CG2-CE 3.48Å; F526-M554 HydrophobicContact CB-CE 3.52Å; F526-M554 HydrophobicContact CB-SD 4.31Å; F526-M554 HydrophobicContact CD1-CE 4.22Å; F526-M554 HydrophobicContact CD1-CG 3.89Å; F526-M554 HydrophobicContact CD2-CB 4.47Å; F526-M554 HydrophobicContact CD2-CE 4.43Å; F526-M554 HydrophobicContact CD2-CG 4.05Å; F526-M554 HydrophobicContact CD2-SD 4.15Å; F526-M554 HydrophobicContact CE1-CB 4.36Å; F526-M554 HydrophobicContact CE1-CG 3.93Å; F526-M554 HydrophobicContact CE2-CB 4.08Å; F526-M554 HydrophobicContact CE2-CG 4.09Å; F526-M554 HydrophobicContact CG-CE 3.83Å; F526-M554 HydrophobicContact CG-CG 3.94Å; F526-M554 HydrophobicContact CG-SD 4.11Å; F526-M554 HydrophobicContact CZ-CB 4.02Å; F526-M554 HydrophobicContact CZ-CG 4.03Å; V528-M554 HydrophobicContact CG1-CE 3.34Å; V550-M554 HydrophobicContact CG1-CE 3.78Å; V550-M554 HydrophobicContact CG1-SD 4.46Å; V550-M554 WeakPolarHBondContact O-CG 3.45Å; V550-M554 PolarHBondContact O-N 3.49Å; L551-M554 HydrophobicContact CD2-SD 4.05Å; L551-M554 PolarHBondContact O-N 2.77Å; D552-M554 PolarHBondContact O-N 2.91Å; M554-R556 PolarHBondContact O-N 3.5Å; M554-R557 WeakPolarHBondContact O-CB 3.27Å; M554-R557 PolarHBondContact O-N 2.81Å; M554-R557 VanDerWaalsContact O-N 3.15Å; M554-V558 WeakPolarHBondContact O-CG2 3.43Å; M554-V558 PolarHBondContact O-N 3.32Å
555	F	98.6	Very high	96.2	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.009	17%	0.172	C	C	.	.	H	α-helix	trans	-56.5	-51.7	178	-168.8	-70.7	0	0	0	110.4	I284 N286 E290 K292 M294 W317 L551 D552 W553 R557 V558	I284-F555 HydrophobicContact CG1-CD2 4.4Å; I284-F555 HydrophobicContact CG2-CD2 3.77Å; I284-F555 HydrophobicContact CG2-CE2 4.19Å; N286-F555 HydrophobicContact CB-CE1 4.09Å; N286-F555 HydrophobicContact CB-CE2 4.31Å; N286-F555 HydrophobicContact CB-CZ 3.96Å; N286-F555 VanDerWaalsContact ND2-CE1 3.29Å; N286-F555 WeakPolarHBondContact ND2-CE1 3.08Å; E290-F555 HydrophobicContact CB-CE1 4.39Å; E290-F555 HydrophobicContact CB-CZ 3.91Å; E290-F555 WeakPolarHBondContact O-CZ 3.42Å; K292-F555 HydrophobicContact CB-CD2 4.08Å; K292-F555 HydrophobicContact CB-CE2 3.75Å; K292-F555 HydrophobicContact CB-CZ 4.4Å; K292-F555 HydrophobicContact CD-CD1 4.04Å; K292-F555 HydrophobicContact CD-CD2 3.82Å; K292-F555 HydrophobicContact CD-CE1 3.92Å; K292-F555 HydrophobicContact CD-CE2 3.72Å; K292-F555 HydrophobicContact CD-CG 3.98Å; K292-F555 HydrophobicContact CD-CZ 3.76Å; K292-F555 HydrophobicContact CG-CD2 4.02Å; K292-F555 HydrophobicContact CG-CE1 4.29Å; K292-F555 HydrophobicContact CG-CE2 3.49Å; K292-F555 VanDerWaalsContact CG-CE2 3.49Å; K292-F555 HydrophobicContact CG-CZ 3.64Å; M294-F555 HydrophobicContact CE-CB 4.26Å; W317-F555 HydrophobicContact CH2-CB 3.94Å; W317-F555 HydrophobicContact CH2-CD1 4.32Å; W317-F555 HydrophobicContact CH2-CD2 4.21Å; W317-F555 AromaticContact CH2-CG 3.91Å; W317-F555 HydrophobicContact CH2-CG 3.91Å; W317-F555 HydrophobicContact CZ3-CB 4.2Å; W317-F555 AromaticContact CZ3-CD2 3.84Å; W317-F555 HydrophobicContact CZ3-CD2 3.84Å; W317-F555 HydrophobicContact CZ3-CE2 4.41Å; W317-F555 HydrophobicContact CZ3-CG 4.01Å; L551-F555 VanDerWaalsContact O-CB 3.28Å; L551-F555 WeakPolarHBondContact O-CB 3.15Å; L551-F555 PolarHBondContact O-N 2.86Å; D552-F555 WeakPolarHBondContact O-CB 3.28Å; D552-F555 PolarHBondContact O-N 2.93Å; W553-F555 VanDerWaalsContact C-N 3.34Å; W553-F555 PolarHBondContact O-N 2.98Å; F555-R557 VanDerWaalsContact C-N 3.32Å; F555-R557 PolarHBondContact O-N 3.07Å; F555-V558 PolarHBondContact O-N 3.15Å
556	R	97.8	Very high	96.1	Very high	62 Å²	62	32.5 Å²	32.5	23%	0.234	20%	0.197	C	C	.	.	H	α-helix	trans	-67.4	-32	177.4	-71.1	-176.9	-75.2	123.5	-0.2	112.5	D552 W553 M554 D559 G560 N561 T562 S577	D552-R556 PolarHBondContact O-N 3.25Å; D552-R556 IonicContact OD1-CZ 3.43Å; D552-R556 IonicContact OD1-NE 3.94Å; D552-R556 PolarHBondContact OD1-NE 3.25Å; D552-R556 IonicContact OD1-NH2 2.83Å; D552-R556 PolarHBondContact OD1-NH2 3.17Å; D552-R556 IonicContact OD2-CZ 3.57Å; D552-R556 IonicContact OD2-NE 3.27Å; D552-R556 IonicContact OD2-NH2 3.84Å; D552-R556 PolarHBondContact OD2-NH2 3.23Å; W553-R556 PolarHBondContact O-N 2.8Å; M554-R556 PolarHBondContact O-N 3.5Å; R556-D559 PolarHBondContact O-N 3.4Å; R556-G560 PolarHBondContact O-N 3.05Å; R556-N561 HydrophobicContact CB-CB 4.35Å; R556-N561 PolarHBondContact O-N 3.12Å; R556-T562 HydrophobicContact CB-CG2 3.63Å; R556-T562 VanDerWaalsContact NH1-CB 3.25Å; R556-T562 PolarHBondContact NH1-OG1 3.25Å; R556-S577 PolarHBondContact NH1-O 2.69Å; R556-S577 PolarHBondContact NH2-O 3.37Å
557	R	97.9	Very high	96.1	Very high	35 Å²	35	32.5 Å²	32.5	13%	0.132	20%	0.199	C	C	.	.	H	α-helix	trans	-64.5	-40.5	175.8	-75.9	-59.5	-61.5	149.4	2.6	111.7	E460 K524 F526 W553 M554 F555 D559 G560 T562	E460-R557 IonicContact OE1-NH2 2.85Å; E460-R557 PolarHBondContact OE1-NH2 2.84Å; E460-R557 IonicContact OE2-CZ 3.49Å; E460-R557 IonicContact OE2-NE 3.24Å; E460-R557 PolarHBondContact OE2-NE 3.45Å; E460-R557 IonicContact OE2-NH2 2.84Å; E460-R557 PolarHBondContact OE2-NH2 3.07Å; K524-R557 WeakPolarHBondContact CE-O 3.32Å; F526-R557 HydrophobicContact CE1-CB 4.17Å; F526-R557 HydrophobicContact CE1-CG 4.44Å; F526-R557 HydrophobicContact CZ-CB 3.98Å; W553-R557 HydrophobicContact CD2-CG 3.8Å; W553-R557 HydrophobicContact CE3-CG 4.11Å; W553-R557 HydrophobicContact CG-CG 4.39Å; W553-R557 HydrophobicContact CH2-CG 4.04Å; W553-R557 HydrophobicContact CZ2-CG 3.72Å; W553-R557 HydrophobicContact CZ3-CG 4.22Å; W553-R557 WeakPolarHBondContact O-CB 3.32Å; W553-R557 VanDerWaalsContact O-CG 3.23Å; W553-R557 WeakPolarHBondContact O-CG 3.37Å; W553-R557 PolarHBondContact O-N 2.88Å; M554-R557 WeakPolarHBondContact O-CB 3.27Å; M554-R557 PolarHBondContact O-N 2.81Å; M554-R557 VanDerWaalsContact O-N 3.15Å; F555-R557 VanDerWaalsContact C-N 3.32Å; F555-R557 PolarHBondContact O-N 3.07Å; R557-D559 PolarHBondContact O-N 3.5Å; R557-G560 PolarHBondContact O-N 2.96Å; R557-T562 HydrophobicContact CB-CG2 4.4Å; R557-T562 WeakPolarHBondContact CD-O 3.36Å; R557-T562 HydrophobicContact CG-CG2 3.58Å; R557-T562 PolarHBondContact NH1-O 2.92Å
558	V	97.1	Very high	96	Very high	30 Å²	30	32.8 Å²	32.8	18%	0.182	20%	0.201	C	C	.	.	H	α-helix	trans	-52.1	-42.7	176.6	168.7	0	0	0	0	111.7	K292 E443 A444 K524 M554 F555	K292-V558 HydrophobicContact CD-CB 4.24Å; K292-V558 HydrophobicContact CD-CG1 4.05Å; E443-V558 HydrophobicContact CB-CG1 4.03Å; E443-V558 WeakPolarHBondContact OE2-CG1 3.44Å; A444-V558 HydrophobicContact CB-CG2 4.27Å; K524-V558 HydrophobicContact CD-CG2 4.24Å; M554-V558 WeakPolarHBondContact O-CG2 3.43Å; M554-V558 PolarHBondContact O-N 3.32Å; F555-V558 PolarHBondContact O-N 3.15Å
559	D	93.6	Very high	95.9	Very high	65 Å²	65	33 Å²	33	35%	0.348	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-4	179.8	-58.6	-38.5	0	0	0	114.1	K292 R556 R557 N561	K292-D559 VanDerWaalsContact CE-CG 3.47Å; K292-D559 VanDerWaalsContact CE-OD1 3.26Å; K292-D559 WeakPolarHBondContact CE-OD1 3.22Å; K292-D559 WeakPolarHBondContact CE-OD2 3.38Å; K292-D559 IonicContact NZ-OD1 2.82Å; K292-D559 PolarHBondContact NZ-OD1 3.24Å; K292-D559 IonicContact NZ-OD2 3.29Å; K292-D559 PolarHBondContact NZ-OD2 2.86Å; R556-D559 PolarHBondContact O-N 3.4Å; R557-D559 PolarHBondContact O-N 3.5Å; D559-N561 VanDerWaalsContact C-N 3.27Å; D559-N561 HydrophobicContact CB-CB 4.37Å; D559-N561 WeakPolarHBondContact CB-ND2 3.5Å; D559-N561 PolarHBondContact O-N 3.49Å
560	G	93	Very high	96	Very high	54 Å²	54	32.6 Å²	32.6	56%	0.557	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.1	13.5	-172.8	0	0	0	0	0	114.3	R556 R557 T562	R556-G560 PolarHBondContact O-N 3.05Å; R557-G560 PolarHBondContact O-N 2.96Å; G560-T562 VanDerWaalsContact C-N 3.33Å; G560-T562 PolarHBondContact O-N 3.44Å
561	N	89.4	Confident	96	Very high	115 Å²	115	36 Å²	36	62%	0.615	21%	0.214	S	C	*	.			trans	-86.8	7.8	-173.1	-70.1	-24.3	0	0	0	114.5	R556 D559	R556-N561 HydrophobicContact CB-CB 4.35Å; R556-N561 PolarHBondContact O-N 3.12Å; D559-N561 VanDerWaalsContact C-N 3.27Å; D559-N561 HydrophobicContact CB-CB 4.37Å; D559-N561 WeakPolarHBondContact CB-ND2 3.5Å; D559-N561 PolarHBondContact O-N 3.49Å
562	T	92	Very high	95.9	Very high	16 Å²	16	36.9 Å²	36.9	10%	0.098	22%	0.219	C	C	.	.	S	Bend	trans	-143.7	145.4	172.4	-171.3	0	0	0	0	111.9	W553 R556 R557 G560	W553-T562 HydrophobicContact CG-CG2 4.49Å; R556-T562 HydrophobicContact CB-CG2 3.63Å; R556-T562 VanDerWaalsContact NH1-CB 3.25Å; R556-T562 PolarHBondContact NH1-OG1 3.25Å; R557-T562 HydrophobicContact CB-CG2 4.4Å; R557-T562 WeakPolarHBondContact CD-O 3.36Å; R557-T562 HydrophobicContact CG-CG2 3.58Å; R557-T562 PolarHBondContact NH1-O 2.92Å; G560-T562 VanDerWaalsContact C-N 3.33Å; G560-T562 PolarHBondContact O-N 3.44Å
563	G	85.8	Confident	95.9	Very high	41 Å²	41	36.8 Å²	36.8	42%	0.423	22%	0.219	S	C	.	.			trans	-65.9	151.9	176.3	0	0	0	0	0	112.5
564	A	95.6	Very high	95.6	Very high	24 Å²	24	38.5 Å²	38.5	20%	0.198	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	144.1	169.8	0	0	0	0	0	109.8	W553 Y571 L572 C574	W553-A564 HydrophobicContact CZ2-CB 3.98Å; A564-Y571 HydrophobicContact CB-CG 4.41Å; A564-L572 CarbonylContact C-O 3.06Å; A564-L572 WeakPolarHBondContact CA-O 3.44Å; A564-L572 WeakPolarHBondContact CB-O 3.49Å; A564-C574 PolarHBondContact N-SG 3.35Å; A564-C574 VanDerWaalsContact N-SG 3.36Å
565	M	95.8	Very high	94.9	Very high	82 Å²	82	44.9 Å²	44.9	40%	0.404	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	128.9	-179	-60	-172.1	-60.7	0	0	109.9	Y571 L572 C574	M565-Y571 CarbonylContact O-C 3.55Å; M565-Y571 WeakPolarHBondContact O-CA 3.49Å; M565-L572 PolarHBondContact N-O 3.21Å; M565-L572 PolarHBondContact O-N 3.46Å; M565-C574 HydrophobicContact CG-CB 4.22Å; M565-C574 WeakPolarHBondContact CG-SG 3.31Å
566	P	96.4	Very high	94.3	Very high	102 Å²	102	52.5 Å²	52.5	66%	0.662	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.6	142.2	170.6	-18.9	29.7	0	0	0	111	Y571	P566-Y571 HydrophobicContact CB-CD1 4.42Å; P566-Y571 HydrophobicContact CB-CE1 4.39Å; P566-Y571 HydrophobicContact CG-CD1 4.24Å; P566-Y571 HydrophobicContact CG-CE1 4.06Å
567	S	97.2	Very high	94	Very high	25 Å²	25	50 Å²	50	18%	0.175	30%	0.297	C	S	.	.			trans	-143.1	-178.2	176.7	76.2	0	0	0	0	110.8	F462 V569 G570	F462-S567 WeakPolarHBondContact CZ-O 3.18Å; S567-V569 PolarHBondContact O-N 2.91Å; S567-V569 PolarHBondContact OG-N 3.43Å; S567-G570 WeakPolarHBondContact CA-O 3.47Å; S567-G570 WeakPolarHBondContact CB-O 3.41Å; S567-G570 PolarHBondContact N-O 2.9Å; S567-G570 PolarHBondContact OG-N 3Å; S567-G570 PolarHBondContact OG-O 3.39Å
568	T	96.8	Very high	93.8	Very high	15 Å²	15	49 Å²	49	9%	0.092	30%	0.295	C	S	.	.	S	Bend	trans	-58	-31.8	175.2	-50.1	0	0	0	0	113.4	L630 R633 V634 M637	T568-L630 HydrophobicContact CG2-CD1 4.22Å; T568-L630 WeakPolarHBondContact O-CD1 3.29Å; T568-R633 HydrophobicContact CG2-CB 3.99Å; T568-R633 PolarHBondContact O-NE 3.14Å; T568-V634 HydrophobicContact CG2-CB 4.28Å; T568-V634 HydrophobicContact CG2-CG2 3.48Å; T568-V634 VanDerWaalsContact CG2-CG2 3.48Å; T568-M637 HydrophobicContact CG2-CG 4.16Å; T568-M637 HydrophobicContact CG2-SD 3.65Å; T568-M637 WeakPolarHBondContact OG1-CG 3.46Å; T568-M637 PolarHBondContact OG1-SD 3.21Å
569	V	97.4	Very high	93.7	Very high	4 Å²	4	50.2 Å²	50.2	2%	0.024	30%	0.3	C	S	.	.	S	Bend	trans	-110.2	-6	-166.7	-56	0	0	0	0	113.9	P456 Y459 H466 S567 L572 L595 W600	P456-V569 HydrophobicContact CG-CG2 4.37Å; Y459-V569 HydrophobicContact CD1-CG2 4.17Å; Y459-V569 HydrophobicContact CD2-CB 4.43Å; Y459-V569 HydrophobicContact CD2-CG2 4.19Å; Y459-V569 WeakPolarHBondContact CD2-O 3.41Å; Y459-V569 HydrophobicContact CE2-CB 4.47Å; Y459-V569 VanDerWaalsContact CE2-O 3.31Å; Y459-V569 WeakPolarHBondContact CE2-O 3.35Å; Y459-V569 HydrophobicContact CG-CG2 3.93Å; H466-V569 PolarHBondContact CE1-O 2.89Å; H466-V569 VanDerWaalsContact CE1-O 3.24Å; S567-V569 PolarHBondContact O-N 2.91Å; S567-V569 PolarHBondContact OG-N 3.43Å; V569-L572 HydrophobicContact CG2-CD2 4.36Å; V569-L595 HydrophobicContact CG1-CD1 4.38Å; V569-L595 HydrophobicContact CG1-CD2 4.22Å; V569-L595 HydrophobicContact CG2-CD1 4.16Å; V569-L595 HydrophobicContact CG2-CD2 4.2Å; V569-W600 HydrophobicContact CB-CH2 4.2Å; V569-W600 HydrophobicContact CB-CZ2 4.38Å; V569-W600 HydrophobicContact CG1-CD2 3.82Å; V569-W600 HydrophobicContact CG1-CE3 3.86Å; V569-W600 HydrophobicContact CG1-CH2 3.35Å; V569-W600 HydrophobicContact CG1-CZ2 3.32Å; V569-W600 HydrophobicContact CG1-CZ3 3.62Å
570	G	98.3	Very high	93.7	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	29%	0.292	C	S	.	.	S	Bend	trans	146	-162.9	-169.8	0	0	0	0	0	111.5	E460 S567	E460-G570 CarbonylContact O-C 3.55Å; E460-G570 WeakPolarHBondContact O-CA 3.16Å; S567-G570 WeakPolarHBondContact CA-O 3.47Å; S567-G570 WeakPolarHBondContact CB-O 3.41Å; S567-G570 PolarHBondContact N-O 2.9Å; S567-G570 PolarHBondContact OG-N 3Å; S567-G570 PolarHBondContact OG-O 3.39Å
571	Y	98.6	Very high	93.7	Very high	72 Å²	72	51.9 Å²	51.9	28%	0.282	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	127.7	169.9	-56.3	-80.4	0	0	0	110.9	Y459 E460 F462 A564 M565 P566	Y459-Y571 CarbonylContact C-O 3.56Å; Y459-Y571 VanDerWaalsContact CA-O 3.31Å; Y459-Y571 WeakPolarHBondContact CA-O 3.18Å; E460-Y571 HydrophobicContact CB-CD2 4.45Å; E460-Y571 PolarHBondContact N-O 3.34Å; E460-Y571 PolarHBondContact O-N 3.4Å; F462-Y571 AromaticContact CD1-CD2 3.98Å; F462-Y571 HydrophobicContact CD1-CD2 3.98Å; F462-Y571 HydrophobicContact CD1-CE1 4.28Å; F462-Y571 AromaticContact CD1-CE2 3.55Å; F462-Y571 HydrophobicContact CD1-CE2 3.55Å; F462-Y571 AromaticContact CD1-CZ 3.69Å; F462-Y571 HydrophobicContact CE1-CD1 4.47Å; F462-Y571 HydrophobicContact CE1-CD2 4.38Å; F462-Y571 HydrophobicContact CE1-CE1 4.31Å; F462-Y571 HydrophobicContact CE1-CE2 4.24Å; F462-Y571 HydrophobicContact CE1-CG 4.49Å; F462-Y571 HydrophobicContact CG-CE2 4.49Å; A564-Y571 HydrophobicContact CB-CG 4.41Å; M565-Y571 CarbonylContact O-C 3.55Å; M565-Y571 WeakPolarHBondContact O-CA 3.49Å; P566-Y571 HydrophobicContact CB-CD1 4.42Å; P566-Y571 HydrophobicContact CB-CE1 4.39Å; P566-Y571 HydrophobicContact CG-CD1 4.24Å; P566-Y571 HydrophobicContact CG-CE1 4.06Å
572	L	98.3	Very high	93.8	Very high	18 Å²	18	49.2 Å²	49.2	9%	0.094	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	157.7	173	-59.9	-178.8	0	0	0	110.7	P456 V458 A564 M565 V569 C574 F593 L595	P456-L572 HydrophobicContact CB-CD2 4.43Å; P456-L572 HydrophobicContact CG-CD2 4.05Å; V458-L572 WeakPolarHBondContact O-CD2 3.5Å; A564-L572 CarbonylContact C-O 3.06Å; A564-L572 WeakPolarHBondContact CA-O 3.44Å; A564-L572 WeakPolarHBondContact CB-O 3.49Å; M565-L572 PolarHBondContact N-O 3.21Å; M565-L572 PolarHBondContact O-N 3.46Å; V569-L572 HydrophobicContact CG2-CD2 4.36Å; L572-C574 PolarHBondContact O-N 3.39Å; L572-F593 HydrophobicContact CD2-CD1 4.27Å; L572-L595 HydrophobicContact CD1-CD1 4.2Å
573	P	97.3	Very high	93.8	Very high	10 Å²	10	49.2 Å²	49.2	7%	0.065	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55	135	167.6	-22	33	0	0	0	111.2	V458 W553 S577 L578 F593	V458-P573 HydrophobicContact CG1-CG 3.6Å; W553-P573 HydrophobicContact CD2-CB 4.43Å; W553-P573 HydrophobicContact CD2-CG 4Å; W553-P573 HydrophobicContact CE3-CG 4.42Å; W553-P573 HydrophobicContact CG-CG 4.43Å; W553-P573 HydrophobicContact CH2-CG 4.37Å; W553-P573 HydrophobicContact CZ2-CB 4.29Å; W553-P573 HydrophobicContact CZ2-CG 3.95Å; P573-S577 WeakPolarHBondContact CA-OG 3.29Å; P573-S577 WeakPolarHBondContact CB-OG 3.4Å; P573-L578 HydrophobicContact CB-CD1 4.31Å; P573-L578 HydrophobicContact CB-CD2 4.44Å; P573-L578 HydrophobicContact CB-CG 3.99Å; P573-L578 HydrophobicContact CG-CD1 4.24Å; P573-L578 HydrophobicContact CG-CD2 4.3Å; P573-L578 HydrophobicContact CG-CG 4.22Å; P573-F593 HydrophobicContact CG-CE1 3.87Å; P573-F593 HydrophobicContact CG-CZ 3.88Å
574	C	93.1	Very high	93.9	Very high	36 Å²	36	53 Å²	53	24%	0.243	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-62.8	162.7	166.5	-67.9	0	0	0	0	110.8	A564 M565 L572 D576 S577	A564-C574 PolarHBondContact N-SG 3.35Å; A564-C574 VanDerWaalsContact N-SG 3.36Å; M565-C574 HydrophobicContact CG-CB 4.22Å; M565-C574 WeakPolarHBondContact CG-SG 3.31Å; L572-C574 PolarHBondContact O-N 3.39Å; C574-D576 PolarHBondContact O-N 3.02Å; C574-S577 PolarHBondContact N-OG 3.03Å; C574-S577 WeakPolarHBondContact O-CB 3.41Å; C574-S577 PolarHBondContact O-N 3.46Å; C574-S577 VanDerWaalsContact O-N 3.11Å; C574-S577 PolarHBondContact O-OG 3.43Å
575	N	84.1	Confident	93.4	Very high	135 Å²	135	56.1 Å²	56.1	72%	0.722	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.2	138.7	164.5	-65.8	-12.6	0	0	0	109.8	S577	N575-S577 PolarHBondContact O-N 2.84Å
576	D	85	Confident	92.9	Very high	161 Å²	161	59.7 Å²	59.7	86%	0.861	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.9	4.9	-180	-46.8	-43.1	0	0	0	116.2	C574	C574-D576 PolarHBondContact O-N 3.02Å
577	S	91.3	Very high	92.7	Very high	10 Å²	10	55.7 Å²	55.7	7%	0.07	31%	0.314	C	S	.	.			trans	-81	-14.5	178.7	69.7	0	0	0	0	113.9	R556 P573 C574 N575	R556-S577 PolarHBondContact NH1-O 2.69Å; R556-S577 PolarHBondContact NH2-O 3.37Å; P573-S577 WeakPolarHBondContact CA-OG 3.29Å; P573-S577 WeakPolarHBondContact CB-OG 3.4Å; C574-S577 PolarHBondContact N-OG 3.03Å; C574-S577 WeakPolarHBondContact O-CB 3.41Å; C574-S577 PolarHBondContact O-N 3.46Å; C574-S577 VanDerWaalsContact O-N 3.11Å; C574-S577 PolarHBondContact O-OG 3.43Å; N575-S577 PolarHBondContact O-N 2.84Å
578	L	94.1	Very high	92.5	Very high	14 Å²	14	57.9 Å²	57.9	7%	0.073	32%	0.323	C	S	.	.	S	Bend	trans	-95.2	130.3	170.1	-69.1	174.7	0	0	0	109.9	L457 W553 P573 L580 L589 F593	L457-L578 HydrophobicContact CD2-CD1 4.44Å; W553-L578 HydrophobicContact CB-CD2 3.75Å; W553-L578 HydrophobicContact CG-CD2 4.13Å; P573-L578 HydrophobicContact CB-CD1 4.31Å; P573-L578 HydrophobicContact CB-CD2 4.44Å; P573-L578 HydrophobicContact CB-CG 3.99Å; P573-L578 HydrophobicContact CG-CD1 4.24Å; P573-L578 HydrophobicContact CG-CD2 4.3Å; P573-L578 HydrophobicContact CG-CG 4.22Å; L578-L580 HydrophobicContact CB-CD2 4.39Å; L578-L580 PolarHBondContact O-N 3.07Å; L578-L580 VanDerWaalsContact O-N 3.11Å; L578-L589 HydrophobicContact CD1-CD2 4.48Å; L578-F593 HydrophobicContact CD1-CE2 3.76Å; L578-F593 HydrophobicContact CD1-CZ 3.71Å
579	N	94.1	Very high	92.3	Very high	55 Å²	55	60 Å²	60	29%	0.294	33%	0.334	S	S	.	.			trans	-71.5	107	171	-176.9	-19.9	0	0	0	109.6	L314 R549 Q581	L314-N579 HydrophobicContact CD1-CB 4.17Å; R549-N579 VanDerWaalsContact CD-O 3.23Å; R549-N579 WeakPolarHBondContact CD-O 3.45Å; R549-N579 VanDerWaalsContact CG-O 3.27Å; R549-N579 WeakPolarHBondContact CG-O 3.3Å; R549-N579 PolarHBondContact NH1-O 2.9Å; N579-Q581 WeakPolarHBondContact OD1-CB 3.41Å; N579-Q581 PolarHBondContact OD1-N 2.94Å
580	L	94.7	Very high	92	Very high	36 Å²	36	64 Å²	64	19%	0.188	36%	0.362	C	S	.	.			trans	-102.4	17	177.3	-65.5	-171.3	0	0	0	114	W541 L578 A582 L583 E584 L589	W541-L580 HydrophobicContact CH2-CD2 4.36Å; W541-L580 HydrophobicContact CZ3-CD2 4.21Å; L578-L580 HydrophobicContact CB-CD2 4.39Å; L578-L580 PolarHBondContact O-N 3.07Å; L578-L580 VanDerWaalsContact O-N 3.11Å; L580-A582 PolarHBondContact O-N 3.46Å; L580-L583 CarbonylContact O-C 3.57Å; L580-L583 WeakPolarHBondContact O-CA 3.2Å; L580-L583 WeakPolarHBondContact O-CB 3.4Å; L580-L583 PolarHBondContact O-N 3.38Å; L580-E584 PolarHBondContact O-N 3.24Å; L580-L589 HydrophobicContact CD1-CD1 3.58Å; L580-L589 HydrophobicContact CD1-CD2 4.01Å; L580-L589 HydrophobicContact CD1-CG 3.81Å
581	Q	92.8	Very high	91.8	Very high	119 Å²	119	66.7 Å²	66.7	56%	0.556	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	126	178.8	-170.5	-180	6.5	0	0	111.6	R549 N579 L583 E584	R549-Q581 PolarHBondContact NH1-O 2.97Å; R549-Q581 PolarHBondContact NH2-O 3.12Å; N579-Q581 WeakPolarHBondContact OD1-CB 3.41Å; N579-Q581 PolarHBondContact OD1-N 2.94Å; Q581-L583 VanDerWaalsContact C-N 3.27Å; Q581-L583 PolarHBondContact O-N 3.19Å; Q581-E584 VanDerWaalsContact CA-OE1 3.25Å; Q581-E584 WeakPolarHBondContact CA-OE1 3.35Å
582	A	91.3	Very high	91.6	Very high	59 Å²	59	63.2 Å²	63.2	49%	0.488	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.5	0.3	-173.7	0	0	0	0	0	116.8	L580 E584 K586	L580-A582 PolarHBondContact O-N 3.46Å; A582-E584 WeakPolarHBondContact CA-OE2 3.29Å; A582-E584 PolarHBondContact N-OE1 3.35Å; A582-E584 PolarHBondContact N-OE2 3.31Å; A582-K586 PolarHBondContact O-NZ 2.99Å
583	L	92.7	Very high	91.6	Very high	16 Å²	16	64 Å²	64	8%	0.084	36%	0.364	C	S	.	.			trans	-113.9	6.5	173.7	-62.4	-175.6	0	0	0	112.9	W541 P542 D546 R549 L580 Q581 G585 K586 V587	W541-L583 HydrophobicContact CH2-CD1 4.04Å; W541-L583 HydrophobicContact CZ3-CD1 4.21Å; P542-L583 HydrophobicContact CG-CD1 4.04Å; P542-L583 HydrophobicContact CG-CD2 4.26Å; D546-L583 HydrophobicContact CB-CD1 4.31Å; R549-L583 VanDerWaalsContact NE-CD1 3.34Å; L580-L583 CarbonylContact O-C 3.57Å; L580-L583 WeakPolarHBondContact O-CA 3.2Å; L580-L583 WeakPolarHBondContact O-CB 3.4Å; L580-L583 PolarHBondContact O-N 3.38Å; Q581-L583 VanDerWaalsContact C-N 3.27Å; Q581-L583 PolarHBondContact O-N 3.19Å; L583-G585 PolarHBondContact O-N 2.85Å; L583-K586 WeakPolarHBondContact O-CB 3.31Å; L583-K586 PolarHBondContact O-N 2.66Å; L583-V587 HydrophobicContact CB-CG2 4.16Å; L583-V587 HydrophobicContact CD1-CG2 4.33Å; L583-V587 PolarHBondContact O-N 3.43Å
584	E	87.6	Confident	91.5	Very high	120 Å²	120	64.8 Å²	64.8	56%	0.561	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	131.6	-179.5	-56.3	89.2	161.4	0	0	110.9	L580 Q581 A582 K586	L580-E584 PolarHBondContact O-N 3.24Å; Q581-E584 VanDerWaalsContact CA-OE1 3.25Å; Q581-E584 WeakPolarHBondContact CA-OE1 3.35Å; A582-E584 WeakPolarHBondContact CA-OE2 3.29Å; A582-E584 PolarHBondContact N-OE1 3.35Å; A582-E584 PolarHBondContact N-OE2 3.31Å; E584-K586 PolarHBondContact O-N 3.4Å
585	G	83.9	Confident	91.7	Very high	89 Å²	89	64.5 Å²	64.5	92%	0.918	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	68	-5.5	-177.1	0	0	0	0	0	115.4	L583	L583-G585 PolarHBondContact O-N 2.85Å
586	K	86.9	Confident	92.3	Very high	157 Å²	157	63.1 Å²	63.1	68%	0.683	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-23.9	177.7	-60	179.5	-171.3	161.8	0	112.9	A582 L583 E584	A582-K586 PolarHBondContact O-NZ 2.99Å; L583-K586 WeakPolarHBondContact O-CB 3.31Å; L583-K586 PolarHBondContact O-N 2.66Å; E584-K586 PolarHBondContact O-N 3.4Å
587	V	91.8	Very high	92.9	Very high	19 Å²	19	59.2 Å²	59.2	12%	0.115	33%	0.331	C	S	.	.	S	Bend	trans	-114	126.4	-179.6	180	0	0	0	0	109.6	W541 L583 L589 L592	W541-V587 HydrophobicContact CE3-CG1 3.96Å; W541-V587 HydrophobicContact CE3-CG2 4.2Å; W541-V587 HydrophobicContact CZ3-CG1 4.12Å; W541-V587 HydrophobicContact CZ3-CG2 4.15Å; L583-V587 HydrophobicContact CB-CG2 4.16Å; L583-V587 HydrophobicContact CD1-CG2 4.33Å; L583-V587 PolarHBondContact O-N 3.43Å; V587-L589 HydrophobicContact CG1-CD2 4.1Å; V587-L589 PolarHBondContact O-N 2.84Å; V587-L592 HydrophobicContact CG1-CD2 3.81Å
588	N	91.8	Very high	93.2	Very high	70 Å²	70	64.6 Å²	64.6	37%	0.374	36%	0.355	S	S	.	.			trans	-85.5	90	173	-173.8	-6.6	0	0	0	110.2	S590 E591 L592	N588-S590 VanDerWaalsContact C-N 3.29Å; N588-S590 PolarHBondContact O-N 2.94Å; N588-S590 PolarHBondContact OD1-N 3.18Å; N588-S590 PolarHBondContact OD1-OG 3.22Å; N588-E591 HydrophobicContact CB-CB 4.17Å; N588-E591 VanDerWaalsContact ND2-CB 3.33Å; N588-E591 WeakPolarHBondContact ND2-CB 3.32Å; N588-E591 PolarHBondContact ND2-OE2 2.81Å; N588-E591 PolarHBondContact O-N 2.82Å; N588-E591 PolarHBondContact OD1-N 3.35Å; N588-L592 WeakPolarHBondContact O-CB 3.5Å; N588-L592 PolarHBondContact O-N 3.24Å
589	L	92.6	Very high	93.4	Very high	59 Å²	59	65.9 Å²	65.9	31%	0.309	36%	0.36	S	S	.	.	H	α-helix	trans	-60.2	-37.4	179.5	-72.5	-170	0	0	0	113.1	L578 L580 V587 E591 L592 F593	L578-L589 HydrophobicContact CD1-CD2 4.48Å; L580-L589 HydrophobicContact CD1-CD1 3.58Å; L580-L589 HydrophobicContact CD1-CD2 4.01Å; L580-L589 HydrophobicContact CD1-CG 3.81Å; V587-L589 HydrophobicContact CG1-CD2 4.1Å; V587-L589 PolarHBondContact O-N 2.84Å; L589-E591 PolarHBondContact O-N 2.97Å; L589-L592 HydrophobicContact CD2-CD2 4.49Å; L589-L592 PolarHBondContact O-N 2.84Å; L589-F593 HydrophobicContact CD2-CD2 4.23Å; L589-F593 HydrophobicContact CD2-CE2 3.92Å; L589-F593 WeakPolarHBondContact O-CB 3.34Å; L589-F593 WeakPolarHBondContact O-CD2 3.24Å; L589-F593 PolarHBondContact O-N 2.99Å
590	S	92.6	Very high	93.6	Very high	90 Å²	90	63.9 Å²	63.9	63%	0.629	35%	0.349	S	S	*	.	H	α-helix	trans	-62.3	-45.4	-179	69.7	0	0	0	0	111.8	N588 S594	N588-S590 VanDerWaalsContact C-N 3.29Å; N588-S590 PolarHBondContact O-N 2.94Å; N588-S590 PolarHBondContact OD1-N 3.18Å; N588-S590 PolarHBondContact OD1-OG 3.22Å; S590-S594 WeakPolarHBondContact O-CB 3.44Å; S590-S594 PolarHBondContact O-N 3.3Å
591	E	93.7	Very high	93.7	Very high	55 Å²	55	66.2 Å²	66.2	26%	0.257	36%	0.359	S	S	.	.	H	α-helix	trans	-71.4	-37.6	176.2	-171.9	-179.9	174	0	0	111.2	R532 S534 L540 N588 L589 F593 S594	R532-E591 PolarHBondContact NE-O 2.85Å; R532-E591 PolarHBondContact NH1-O 2.74Å; R532-E591 VanDerWaalsContact NH1-O 3.15Å; R532-E591 PolarHBondContact NH2-O 3.34Å; R532-E591 VanDerWaalsContact NH2-O 3.07Å; S534-E591 WeakPolarHBondContact CB-OE1 3.24Å; S534-E591 PolarHBondContact OG-OE1 2.67Å; S534-E591 VanDerWaalsContact OG-OE1 3.08Å; L540-E591 HydrophobicContact CD1-CB 4.45Å; L540-E591 HydrophobicContact CD1-CG 3.82Å; L540-E591 HydrophobicContact CD2-CG 4.2Å; N588-E591 HydrophobicContact CB-CB 4.17Å; N588-E591 VanDerWaalsContact ND2-CB 3.33Å; N588-E591 WeakPolarHBondContact ND2-CB 3.32Å; N588-E591 PolarHBondContact ND2-OE2 2.81Å; N588-E591 PolarHBondContact O-N 2.82Å; N588-E591 PolarHBondContact OD1-N 3.35Å; L589-E591 PolarHBondContact O-N 2.97Å; E591-F593 VanDerWaalsContact C-N 3.31Å; E591-F593 PolarHBondContact O-N 3.36Å; E591-S594 PolarHBondContact O-N 3.25Å
592	L	95.1	Very high	94	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-66.1	-33.1	-178.9	-173.8	56.7	0	0	0	112.9	P456 L457 R532 L540 W541 V587 N588 L589	P456-L592 VanDerWaalsContact CA-O 3.3Å; P456-L592 WeakPolarHBondContact CA-O 3.47Å; L457-L592 HydrophobicContact CB-CD1 3.91Å; L457-L592 HydrophobicContact CB-CD2 3.9Å; L457-L592 HydrophobicContact CB-CG 3.7Å; L457-L592 HydrophobicContact CD2-CD2 3.78Å; L457-L592 HydrophobicContact CG-CD2 4.3Å; L457-L592 PolarHBondContact N-O 3.29Å; R532-L592 HydrophobicContact CB-CD1 4.29Å; R532-L592 PolarHBondContact NH1-O 3.22Å; L540-L592 HydrophobicContact CB-CD1 3.84Å; L540-L592 HydrophobicContact CD1-CD1 4.45Å; W541-L592 HydrophobicContact CB-CD1 4.47Å; W541-L592 HydrophobicContact CB-CD2 4.46Å; W541-L592 HydrophobicContact CE3-CD2 3.83Å; V587-L592 HydrophobicContact CG1-CD2 3.81Å; N588-L592 WeakPolarHBondContact O-CB 3.5Å; N588-L592 PolarHBondContact O-N 3.24Å; L589-L592 HydrophobicContact CD2-CD2 4.49Å; L589-L592 PolarHBondContact O-N 2.84Å
593	F	96.6	Very high	94.3	Very high	33 Å²	33	64.2 Å²	64.2	15%	0.145	34%	0.337	C	S	.	.	H	α-helix	trans	-104.6	2.7	179	-72.7	-79.2	0	0	0	114.2	P456 L457 V458 L572 P573 L578 L589 E591	P456-F593 HydrophobicContact CB-CD1 3.89Å; P456-F593 HydrophobicContact CB-CE1 4.47Å; L457-F593 HydrophobicContact CB-CE1 4.09Å; L457-F593 HydrophobicContact CB-CE2 4.28Å; L457-F593 HydrophobicContact CB-CZ 3.75Å; L457-F593 HydrophobicContact CD2-CE2 4.37Å; L457-F593 HydrophobicContact CD2-CZ 4.06Å; L457-F593 HydrophobicContact CG-CZ 4.35Å; V458-F593 HydrophobicContact CG1-CE1 4.02Å; V458-F593 HydrophobicContact CG1-CZ 4.1Å; L572-F593 HydrophobicContact CD2-CD1 4.27Å; P573-F593 HydrophobicContact CG-CE1 3.87Å; P573-F593 HydrophobicContact CG-CZ 3.88Å; L578-F593 HydrophobicContact CD1-CE2 3.76Å; L578-F593 HydrophobicContact CD1-CZ 3.71Å; L589-F593 HydrophobicContact CD2-CD2 4.23Å; L589-F593 HydrophobicContact CD2-CE2 3.92Å; L589-F593 WeakPolarHBondContact O-CB 3.34Å; L589-F593 WeakPolarHBondContact O-CD2 3.24Å; L589-F593 PolarHBondContact O-N 2.99Å; E591-F593 VanDerWaalsContact C-N 3.31Å; E591-F593 PolarHBondContact O-N 3.36Å
594	S	95.5	Very high	94.6	Very high	27 Å²	27	63.6 Å²	63.6	19%	0.189	33%	0.334	C	S	.	.			trans	-62.5	140.8	179.2	97	0	0	0	0	111.1	R532 S590 E591 E596	R532-S594 PolarHBondContact NH1-O 3.37Å; R532-S594 PolarHBondContact NH2-O 3.47Å; R532-S594 PolarHBondContact NH2-OG 2.73Å; S590-S594 WeakPolarHBondContact O-CB 3.44Å; S590-S594 PolarHBondContact O-N 3.3Å; E591-S594 PolarHBondContact O-N 3.25Å; S594-E596 WeakPolarHBondContact CB-OE1 3.27Å; S594-E596 PolarHBondContact OG-OE1 2.78Å
595	L	97.4	Very high	95.1	Very high	31 Å²	31	63 Å²	63	16%	0.162	33%	0.332	C	S	.	.			trans	-122	105.7	174.8	-58.9	177.2	0	0	0	107.1	P456 V569 L572 W600 M637	P456-L595 HydrophobicContact CB-CD2 4.48Å; P456-L595 HydrophobicContact CG-CD2 4Å; V569-L595 HydrophobicContact CG1-CD1 4.38Å; V569-L595 HydrophobicContact CG1-CD2 4.22Å; V569-L595 HydrophobicContact CG2-CD1 4.16Å; V569-L595 HydrophobicContact CG2-CD2 4.2Å; L572-L595 HydrophobicContact CD1-CD1 4.2Å; L595-W600 HydrophobicContact CD2-CZ2 4.12Å; L595-M637 HydrophobicContact CB-CE 3.67Å; L595-M637 WeakPolarHBondContact O-CE 3.37Å
596	E	96.7	Very high	95.8	Very high	106 Å²	106	62 Å²	62	50%	0.495	30%	0.303	S	S	.	.			trans	-87.3	128.1	-179	-55.2	-55.5	139.5	0	0	110.3	S594 E598 F599 W600	S594-E596 WeakPolarHBondContact CB-OE1 3.27Å; S594-E596 PolarHBondContact OG-OE1 2.78Å; E596-E598 VanDerWaalsContact C-N 3.32Å; E596-E598 PolarHBondContact O-N 2.68Å; E596-F599 HydrophobicContact CB-CB 4.07Å; E596-F599 PolarHBondContact O-N 3.32Å; E596-W600 PolarHBondContact O-N 2.91Å; E596-W600 VanDerWaalsContact O-N 3.1Å
597	H	97.6	Very high	96.4	Very high	79 Å²	79	54.6 Å²	54.6	37%	0.366	27%	0.271	S	S	.	.	H	α-helix	trans	-53.8	-47.8	-179.4	173.4	-81.6	0	0	0	112	F599 W600 Q601 V634	H597-F599 VanDerWaalsContact C-N 3.33Å; H597-F599 PolarHBondContact O-N 3.37Å; H597-W600 PolarHBondContact O-N 2.86Å; H597-Q601 PolarHBondContact CE1-OE1 3.38Å; H597-Q601 VanDerWaalsContact CE1-OE1 3.31Å; H597-Q601 WeakPolarHBondContact O-CB 3.15Å; H597-Q601 PolarHBondContact O-N 3.07Å; H597-V634 PolarHBondContact CD2-O 3.31Å
598	E	97.7	Very high	96.7	Very high	123 Å²	123	57.8 Å²	57.8	58%	0.575	28%	0.281	S	S	*	.	H	α-helix	trans	-62.1	-39.3	-178.5	-168	-171	155.9	0	0	112.5	E596 K602	E596-E598 VanDerWaalsContact C-N 3.32Å; E596-E598 PolarHBondContact O-N 2.68Å; E598-K602 WeakPolarHBondContact O-CG 3.5Å; E598-K602 PolarHBondContact O-N 3.38Å; E598-K602 WeakPolarHBondContact OE1-CE 3.33Å; E598-K602 IonicContact OE1-NZ 2.64Å; E598-K602 PolarHBondContact OE1-NZ 2.74Å
599	F	97.7	Very high	97	Very high	41 Å²	41	60.7 Å²	60.7	18%	0.18	29%	0.29	C	S	.	.	H	α-helix	trans	-63.2	-49.6	176.7	174.6	-88.4	0	0	0	110.8	E453 V455 E596 H597 Q601 K602 E603	E453-F599 HydrophobicContact CB-CE2 4.25Å; E453-F599 WeakPolarHBondContact O-CE2 3.49Å; E453-F599 VanDerWaalsContact O-CZ 3.22Å; E453-F599 WeakPolarHBondContact O-CZ 3.46Å; V455-F599 HydrophobicContact CG2-CE1 4.22Å; V455-F599 HydrophobicContact CG2-CZ 4.14Å; E596-F599 HydrophobicContact CB-CB 4.07Å; E596-F599 PolarHBondContact O-N 3.32Å; H597-F599 VanDerWaalsContact C-N 3.33Å; H597-F599 PolarHBondContact O-N 3.37Å; F599-Q601 VanDerWaalsContact C-N 3.34Å; F599-Q601 PolarHBondContact O-N 3.05Å; F599-K602 PolarHBondContact O-N 2.81Å; F599-E603 PolarHBondContact O-N 3.41Å
600	W	98.3	Very high	97.2	Very high	13 Å²	13	58.4 Å²	58.4	5%	0.049	28%	0.277	C	S	.	.	H	α-helix	trans	-71.7	-28.8	-176.4	-76.9	101	0	0	0	113	G454 V455 V569 L595 E596 H597 E603 V604 V634	G454-W600 PolarHBondContact O-NE1 2.96Å; V455-W600 HydrophobicContact CG2-CH2 4.42Å; V455-W600 HydrophobicContact CG2-CZ2 4.42Å; V569-W600 HydrophobicContact CB-CH2 4.2Å; V569-W600 HydrophobicContact CB-CZ2 4.38Å; V569-W600 HydrophobicContact CG1-CD2 3.82Å; V569-W600 HydrophobicContact CG1-CE3 3.86Å; V569-W600 HydrophobicContact CG1-CH2 3.35Å; V569-W600 HydrophobicContact CG1-CZ2 3.32Å; V569-W600 HydrophobicContact CG1-CZ3 3.62Å; L595-W600 HydrophobicContact CD2-CZ2 4.12Å; E596-W600 PolarHBondContact O-N 2.91Å; E596-W600 VanDerWaalsContact O-N 3.1Å; H597-W600 PolarHBondContact O-N 2.86Å; W600-E603 HydrophobicContact CE3-CB 4.22Å; W600-E603 HydrophobicContact CE3-CG 4.25Å; W600-E603 HydrophobicContact CZ3-CG 4.18Å; W600-E603 PolarHBondContact O-N 3.4Å; W600-V604 WeakPolarHBondContact O-CG2 3.44Å; W600-V604 PolarHBondContact O-N 3.08Å; W600-V634 HydrophobicContact CB-CG1 4.12Å; W600-V634 HydrophobicContact CB-CG2 3.76Å
601	Q	98.4	Very high	97.5	Very high	85 Å²	85	54.2 Å²	54.2	40%	0.397	25%	0.248	S	C	.	.	H	α-helix	trans	-62	-48.7	170.1	-176	178.6	-12.2	0	0	111.1	H597 F599 E603 V604 E605 V634	H597-Q601 PolarHBondContact CE1-OE1 3.38Å; H597-Q601 VanDerWaalsContact CE1-OE1 3.31Å; H597-Q601 WeakPolarHBondContact O-CB 3.15Å; H597-Q601 PolarHBondContact O-N 3.07Å; F599-Q601 VanDerWaalsContact C-N 3.34Å; F599-Q601 PolarHBondContact O-N 3.05Å; Q601-E603 VanDerWaalsContact C-N 3.31Å; Q601-E603 PolarHBondContact O-N 2.92Å; Q601-V604 PolarHBondContact O-N 2.83Å; Q601-E605 PolarHBondContact NE2-OE1 3.2Å; Q601-E605 WeakPolarHBondContact O-CG 3.43Å; Q601-E605 PolarHBondContact O-N 2.67Å; Q601-V634 HydrophobicContact CB-CG1 4.29Å
602	K	98.3	Very high	97.7	Very high	121 Å²	121	54.8 Å²	54.8	53%	0.526	26%	0.255	S	S	.	.	H	α-helix	trans	-61.8	-39.2	175.5	-72.3	169.9	174.3	168.8	0	111.9	E598 F599 E605 E606	E598-K602 WeakPolarHBondContact O-CG 3.5Å; E598-K602 PolarHBondContact O-N 3.38Å; E598-K602 WeakPolarHBondContact OE1-CE 3.33Å; E598-K602 IonicContact OE1-NZ 2.64Å; E598-K602 PolarHBondContact OE1-NZ 2.74Å; F599-K602 PolarHBondContact O-N 2.81Å; K602-E605 PolarHBondContact O-N 2.86Å; K602-E606 WeakPolarHBondContact O-CB 3.35Å; K602-E606 PolarHBondContact O-N 2.9Å
603	E	98.3	Very high	97.8	Very high	14 Å²	14	57 Å²	57	7%	0.065	27%	0.268	C	S	.	.	H	α-helix	trans	-63.3	-43.5	177.3	-167	71	-174.8	0	0	111.7	R451 R475 F599 W600 Q601 E606 V607	R451-E603 IonicContact CZ-OE1 2.73Å; R451-E603 IonicContact CZ-OE2 3.69Å; R451-E603 IonicContact NH1-OE1 2.92Å; R451-E603 PolarHBondContact NH1-OE1 3.23Å; R451-E603 IonicContact NH1-OE2 3.02Å; R451-E603 VanDerWaalsContact NH2-CD 3.34Å; R451-E603 IonicContact NH2-OE1 3.75Å; R451-E603 PolarHBondContact NH2-OE1 3.4Å; R451-E603 IonicContact NH2-OE2 2.82Å; R451-E603 PolarHBondContact NH2-OE2 3.1Å; R475-E603 VanDerWaalsContact CD-OE1 3.24Å; R475-E603 WeakPolarHBondContact CD-OE1 3.28Å; R475-E603 IonicContact CZ-OE2 3.07Å; R475-E603 VanDerWaalsContact NH1-CD 3.33Å; R475-E603 IonicContact NH1-OE1 3.99Å; R475-E603 PolarHBondContact NH1-OE1 3.3Å; R475-E603 IonicContact NH1-OE2 2.68Å; R475-E603 PolarHBondContact NH1-OE2 3.41Å; F599-E603 PolarHBondContact O-N 3.41Å; W600-E603 HydrophobicContact CE3-CB 4.22Å; W600-E603 HydrophobicContact CE3-CG 4.25Å; W600-E603 HydrophobicContact CZ3-CG 4.18Å; W600-E603 PolarHBondContact O-N 3.4Å; Q601-E603 VanDerWaalsContact C-N 3.31Å; Q601-E603 PolarHBondContact O-N 2.92Å; E603-E606 PolarHBondContact O-N 3.06Å; E603-V607 WeakPolarHBondContact O-CB 3.39Å; E603-V607 VanDerWaalsContact O-CG2 3.32Å; E603-V607 WeakPolarHBondContact O-CG2 3.16Å; E603-V607 PolarHBondContact O-N 3.16Å
604	V	98.6	Very high	97.8	Very high	4 Å²	4	55.9 Å²	55.9	2%	0.024	26%	0.264	C	S	.	.	H	α-helix	trans	-61.9	-44.8	175.8	165.4	0	0	0	0	111.6	W600 Q601 E606 V607 R608 L627 L630 Q631 V634	W600-V604 WeakPolarHBondContact O-CG2 3.44Å; W600-V604 PolarHBondContact O-N 3.08Å; Q601-V604 PolarHBondContact O-N 2.83Å; V604-E606 VanDerWaalsContact C-N 3.33Å; V604-V607 PolarHBondContact O-N 3.32Å; V604-R608 WeakPolarHBondContact O-CB 3.42Å; V604-R608 PolarHBondContact O-N 3.31Å; V604-L627 HydrophobicContact CG1-CD1 4.11Å; V604-L630 HydrophobicContact CG2-CD2 3.71Å; V604-L630 HydrophobicContact CG2-CG 3.71Å; V604-Q631 HydrophobicContact CG1-CB 3.83Å; V604-Q631 HydrophobicContact CG1-CG 3.95Å; V604-V634 HydrophobicContact CG2-CG2 4.11Å
605	E	98.4	Very high	97.9	Very high	108 Å²	108	54.6 Å²	54.6	51%	0.505	26%	0.255	S	S	.	.	H	α-helix	trans	-61.7	-43	178	-72.6	171.5	-168	0	0	111.4	Q601 K602 R608 K609	Q601-E605 PolarHBondContact NE2-OE1 3.2Å; Q601-E605 WeakPolarHBondContact O-CG 3.43Å; Q601-E605 PolarHBondContact O-N 2.67Å; K602-E605 PolarHBondContact O-N 2.86Å; E605-R608 PolarHBondContact O-N 3.5Å; E605-K609 WeakPolarHBondContact O-CB 3.32Å; E605-K609 PolarHBondContact O-N 3.4Å
606	E	98.3	Very high	97.9	Very high	66 Å²	66	55.1 Å²	55.1	31%	0.308	26%	0.258	S	S	.	.	H	α-helix	trans	-69.2	-41.7	179	-176.1	66.5	166.7	0	0	112.3	R475 K602 E603 V604 R608 K609 Y610	R475-E606 IonicContact NH2-OE1 2.76Å; K602-E606 WeakPolarHBondContact O-CB 3.35Å; K602-E606 PolarHBondContact O-N 2.9Å; E603-E606 PolarHBondContact O-N 3.06Å; V604-E606 VanDerWaalsContact C-N 3.33Å; E606-R608 VanDerWaalsContact C-N 3.33Å; E606-R608 PolarHBondContact O-N 3.4Å; E606-K609 PolarHBondContact O-N 2.89Å; E606-Y610 WeakPolarHBondContact O-CB 3.48Å; E606-Y610 PolarHBondContact O-N 2.99Å
607	V	98.4	Very high	97.9	Very high	2 Å²	2	56.1 Å²	56.1	1%	0.012	27%	0.266	C	S	.	.	H	α-helix	trans	-61.7	-42.9	173.5	168	0	0	0	0	111	F469 T473 E603 V604 K609 Y610 F611 L627	F469-V607 HydrophobicContact CE2-CG1 4.35Å; F469-V607 HydrophobicContact CZ-CG1 4.49Å; T473-V607 HydrophobicContact CG2-CB 4.38Å; T473-V607 HydrophobicContact CG2-CG1 3.49Å; T473-V607 VanDerWaalsContact CG2-CG1 3.49Å; T473-V607 HydrophobicContact CG2-CG2 3.91Å; E603-V607 WeakPolarHBondContact O-CB 3.39Å; E603-V607 VanDerWaalsContact O-CG2 3.32Å; E603-V607 WeakPolarHBondContact O-CG2 3.16Å; E603-V607 PolarHBondContact O-N 3.16Å; V604-V607 PolarHBondContact O-N 3.32Å; V607-K609 PolarHBondContact O-N 2.91Å; V607-Y610 PolarHBondContact O-N 3.4Å; V607-F611 HydrophobicContact CG1-CD2 3.93Å; V607-F611 HydrophobicContact CG1-CE2 3.76Å; V607-F611 HydrophobicContact CG1-CG 4.48Å; V607-F611 HydrophobicContact CG1-CZ 4.16Å; V607-F611 PolarHBondContact O-N 3.3Å; V607-L627 HydrophobicContact CB-CD1 4.16Å; V607-L627 HydrophobicContact CG1-CD1 3.72Å; V607-L627 HydrophobicContact CG1-CD2 4.36Å
608	R	98.6	Very high	97.9	Very high	87 Å²	87	53.4 Å²	53.4	33%	0.328	26%	0.255	S	S	.	.	H	α-helix	trans	-58.2	-50.5	176.5	-173.7	174.4	-68.5	-81	0.7	110.7	V604 E605 E606 Y610 F611 T612 L627	V604-R608 WeakPolarHBondContact O-CB 3.42Å; V604-R608 PolarHBondContact O-N 3.31Å; E605-R608 PolarHBondContact O-N 3.5Å; E606-R608 VanDerWaalsContact C-N 3.33Å; E606-R608 PolarHBondContact O-N 3.4Å; R608-Y610 VanDerWaalsContact C-N 3.34Å; R608-Y610 PolarHBondContact O-N 2.96Å; R608-F611 PolarHBondContact O-N 3.39Å; R608-T612 WeakPolarHBondContact O-CB 3.33Å; R608-T612 PolarHBondContact O-N 2.9Å; R608-T612 PolarHBondContact O-OG1 3.07Å; R608-T612 VanDerWaalsContact O-OG1 3.06Å; R608-L627 HydrophobicContact CB-CD2 3.82Å; R608-L627 HydrophobicContact CG-CD2 4.13Å
609	K	97.9	Very high	97.9	Very high	130 Å²	130	49.3 Å²	49.3	57%	0.565	24%	0.237	S	C	*	.	H	α-helix	trans	-58.1	-46.7	177	-178.2	-177.4	174.9	-171.1	0	111.4	E605 E606 V607 T612 T613	E605-K609 WeakPolarHBondContact O-CB 3.32Å; E605-K609 PolarHBondContact O-N 3.4Å; E606-K609 PolarHBondContact O-N 2.89Å; V607-K609 PolarHBondContact O-N 2.91Å; K609-T612 PolarHBondContact O-N 3.4Å; K609-T613 VanDerWaalsContact O-CB 3.3Å; K609-T613 WeakPolarHBondContact O-CB 3.15Å; K609-T613 PolarHBondContact O-N 2.91Å; K609-T613 PolarHBondContact O-OG1 2.85Å
610	Y	98.1	Very high	98	Very high	12 Å²	12	48.1 Å²	48.1	5%	0.047	23%	0.233	C	C	.	.	H	α-helix	trans	-58.9	-51.4	178.5	175.8	-105.7	0	0	0	112	L127 H491 E606 V607 R608 T613 Q614	L127-Y610 VanDerWaalsContact CD2-OH 3.24Å; L127-Y610 WeakPolarHBondContact CD2-OH 3.48Å; H491-Y610 HydrophobicContact CB-CD2 3.9Å; H491-Y610 HydrophobicContact CB-CE1 4.14Å; H491-Y610 HydrophobicContact CB-CE2 3.44Å; H491-Y610 VanDerWaalsContact CB-CE2 3.44Å; H491-Y610 HydrophobicContact CB-CG 4.41Å; H491-Y610 AromaticContact CD2-CD2 3.56Å; H491-Y610 AromaticContact CD2-CG 3.85Å; H491-Y610 AromaticContact CE1-CD1 3.86Å; H491-Y610 AromaticContact CE1-CG 3.56Å; H491-Y610 AromaticContact CG-CD1 3.96Å; H491-Y610 AromaticContact CG-CD2 3.46Å; H491-Y610 VanDerWaalsContact CG-CD2 3.46Å; H491-Y610 AromaticContact CG-CE2 3.57Å; H491-Y610 AromaticContact CG-CG 3.66Å; H491-Y610 AromaticContact CG-CZ 3.87Å; H491-Y610 AromaticContact ND1-CD1 3.47Å; H491-Y610 WeakPolarHBondContact ND1-CD1 3.45Å; H491-Y610 AromaticContact ND1-CD2 3.8Å; H491-Y610 AromaticContact ND1-CE1 3.8Å; H491-Y610 AromaticContact ND1-CG 3.46Å; H491-Y610 AromaticContact NE2-CD2 3.99Å; H491-Y610 AromaticContact NE2-CG 3.83Å; E606-Y610 WeakPolarHBondContact O-CB 3.48Å; E606-Y610 PolarHBondContact O-N 2.99Å; V607-Y610 PolarHBondContact O-N 3.4Å; R608-Y610 VanDerWaalsContact C-N 3.34Å; R608-Y610 PolarHBondContact O-N 2.96Å; Y610-T613 PolarHBondContact O-N 3.37Å; Y610-Q614 HydrophobicContact CD2-CB 4.16Å; Y610-Q614 HydrophobicContact CD2-CG 3.66Å; Y610-Q614 HydrophobicContact CE2-CB 3.92Å; Y610-Q614 HydrophobicContact CE2-CG 3.58Å; Y610-Q614 VanDerWaalsContact O-CB 3.27Å; Y610-Q614 WeakPolarHBondContact O-CB 3.46Å; Y610-Q614 PolarHBondContact O-N 3.45Å
611	F	98.4	Very high	98	Very high	1 Å²	1	54.6 Å²	54.6	0%	0.004	27%	0.269	C	S	.	.	H	α-helix	trans	-62.7	-46.1	179	-75.3	-15.4	0	0	0	112.6	F469 A472 T473 V607 R608 T613 V615 N616 L619 M623 L627	F469-F611 HydrophobicContact CD2-CE2 4.09Å; F469-F611 HydrophobicContact CD2-CZ 4.45Å; F469-F611 AromaticContact CE2-CE2 3.85Å; F469-F611 HydrophobicContact CE2-CE2 3.85Å; F469-F611 HydrophobicContact CE2-CZ 4.43Å; A472-F611 HydrophobicContact CB-CE1 4.21Å; A472-F611 HydrophobicContact CB-CZ 3.85Å; T473-F611 HydrophobicContact CG2-CE2 4.16Å; T473-F611 HydrophobicContact CG2-CZ 3.7Å; V607-F611 HydrophobicContact CG1-CD2 3.93Å; V607-F611 HydrophobicContact CG1-CE2 3.76Å; V607-F611 HydrophobicContact CG1-CG 4.48Å; V607-F611 HydrophobicContact CG1-CZ 4.16Å; V607-F611 PolarHBondContact O-N 3.3Å; R608-F611 PolarHBondContact O-N 3.39Å; F611-T613 VanDerWaalsContact C-N 3.32Å; F611-T613 PolarHBondContact O-N 3.47Å; F611-V615 HydrophobicContact CD1-CG2 4.08Å; F611-V615 WeakPolarHBondContact O-CA 3.47Å; F611-V615 WeakPolarHBondContact O-CB 3.33Å; F611-V615 PolarHBondContact O-N 3.49Å; F611-N616 PolarHBondContact O-N 3.35Å; F611-L619 HydrophobicContact CB-CD1 4.05Å; F611-L619 HydrophobicContact CB-CD2 3.91Å; F611-L619 HydrophobicContact CD1-CD1 4.12Å; F611-L619 HydrophobicContact CD2-CD1 3.93Å; F611-L619 HydrophobicContact CD2-CD2 4.21Å; F611-L619 HydrophobicContact CE2-CD1 4.36Å; F611-L619 HydrophobicContact CG-CD1 3.79Å; F611-L619 HydrophobicContact CG-CD2 4.31Å; F611-M623 HydrophobicContact CE2-CB 4.47Å; F611-L627 HydrophobicContact CD2-CD2 4.28Å
612	T	97	Very high	98	Very high	67 Å²	67	52.4 Å²	52.4	41%	0.411	26%	0.259	S	S	.	.	H	α-helix	trans	-60.4	-42	177.1	-63.4	0	0	0	0	111.7	L120 R608 K609 N616	L120-T612 HydrophobicContact CD2-CG2 3.88Å; R608-T612 WeakPolarHBondContact O-CB 3.33Å; R608-T612 PolarHBondContact O-N 2.9Å; R608-T612 PolarHBondContact O-OG1 3.07Å; R608-T612 VanDerWaalsContact O-OG1 3.06Å; K609-T612 PolarHBondContact O-N 3.4Å; T612-N616 WeakPolarHBondContact O-CB 3.41Å
613	T	96.8	Very high	98	Very high	46 Å²	46	46.7 Å²	46.7	28%	0.282	23%	0.233	S	C	.	.	H	α-helix	trans	-81.4	-40.9	-176.3	-57.6	0	0	0	0	113.1	P119 L120 K609 Y610 F611	P119-T613 CarbonylContact C-O 3.17Å; P119-T613 WeakPolarHBondContact CA-O 2.97Å; P119-T613 WeakPolarHBondContact CB-O 3.39Å; L120-T613 PolarHBondContact N-O 3.28Å; K609-T613 VanDerWaalsContact O-CB 3.3Å; K609-T613 WeakPolarHBondContact O-CB 3.15Å; K609-T613 PolarHBondContact O-N 2.91Å; K609-T613 PolarHBondContact O-OG1 2.85Å; Y610-T613 PolarHBondContact O-N 3.37Å; F611-T613 VanDerWaalsContact C-N 3.32Å; F611-T613 PolarHBondContact O-N 3.47Å
614	Q	97.9	Very high	98	Very high	11 Å²	11	47.6 Å²	47.6	5%	0.051	24%	0.243	C	C	.	.	H	α-helix	trans	-98.9	-25.4	-169	-64	-63.9	-52.5	0	0	114.1	P117 L127 Y610	P117-Q614 WeakPolarHBondContact CB-O 3.32Å; L127-Q614 HydrophobicContact CD1-CB 3.91Å; L127-Q614 WeakPolarHBondContact CD1-O 3.36Å; Y610-Q614 HydrophobicContact CD2-CB 4.16Å; Y610-Q614 HydrophobicContact CD2-CG 3.66Å; Y610-Q614 HydrophobicContact CE2-CB 3.92Å; Y610-Q614 HydrophobicContact CE2-CG 3.58Å; Y610-Q614 VanDerWaalsContact O-CB 3.27Å; Y610-Q614 WeakPolarHBondContact O-CB 3.46Å; Y610-Q614 PolarHBondContact O-N 3.45Å
615	V	97.8	Very high	98	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.1	-38.4	-178.4	-161.2	0	0	0	0	111	P117 L127 F504 F611 D617 D618 L619	P117-V615 HydrophobicContact CG-CG1 4.37Å; L127-V615 HydrophobicContact CD1-CG2 4.32Å; F504-V615 HydrophobicContact CD1-CG2 3.78Å; F504-V615 HydrophobicContact CE1-CG2 3.91Å; F611-V615 HydrophobicContact CD1-CG2 4.08Å; F611-V615 WeakPolarHBondContact O-CA 3.47Å; F611-V615 WeakPolarHBondContact O-CB 3.33Å; F611-V615 PolarHBondContact O-N 3.49Å; V615-D617 PolarHBondContact O-N 3.48Å; V615-D618 HydrophobicContact CG1-CB 4.29Å; V615-D618 PolarHBondContact O-N 3.39Å; V615-D618 VanDerWaalsContact O-N 3.09Å; V615-L619 HydrophobicContact CB-CB 4.2Å; V615-L619 HydrophobicContact CB-CD1 4.17Å; V615-L619 HydrophobicContact CG1-CB 3.96Å; V615-L619 HydrophobicContact CG1-CD1 4.08Å; V615-L619 HydrophobicContact CG2-CD1 4.45Å
616	N	96.7	Very high	98.1	Very high	42 Å²	42	47.9 Å²	47.9	23%	0.225	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	49.9	-124.6	173.7	-171.2	36.7	0	0	0	111.8	F611 T612 D618 L619	F611-N616 PolarHBondContact O-N 3.35Å; T612-N616 WeakPolarHBondContact O-CB 3.41Å; N616-D618 PolarHBondContact O-N 2.96Å; N616-D618 VanDerWaalsContact O-N 3.14Å; N616-L619 WeakPolarHBondContact O-CB 3.44Å; N616-L619 PolarHBondContact O-N 2.88Å; N616-L619 VanDerWaalsContact O-N 3.08Å
617	D	96.4	Very high	98.1	Very high	126 Å²	126	45 Å²	45	67%	0.674	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-65.9	-15.3	-175.8	-59	-43.4	0	0	0	113.9	V615 L619	V615-D617 PolarHBondContact O-N 3.48Å; D617-L619 VanDerWaalsContact C-N 3.34Å
618	D	97.9	Very high	98.1	Very high	23 Å²	23	49.5 Å²	49.5	12%	0.123	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-88.4	-0.9	177	-65.8	-47.2	0	0	0	112.8	R113 P117 N503 G505 V615 N616 P620	R113-D618 IonicContact CZ-OD1 3.17Å; R113-D618 IonicContact NE-OD1 2.86Å; R113-D618 PolarHBondContact NE-OD1 2.79Å; R113-D618 IonicContact NE-OD2 3.31Å; R113-D618 PolarHBondContact NE-OD2 3.33Å; R113-D618 IonicContact NH2-OD1 2.67Å; R113-D618 PolarHBondContact NH2-OD1 2.99Å; P117-D618 WeakPolarHBondContact CA-OD2 3.36Å; P117-D618 HydrophobicContact CB-CB 4.19Å; N503-D618 PolarHBondContact ND2-OD2 2.87Å; G505-D618 WeakPolarHBondContact CA-O 3.41Å; V615-D618 HydrophobicContact CG1-CB 4.29Å; V615-D618 PolarHBondContact O-N 3.39Å; V615-D618 VanDerWaalsContact O-N 3.09Å; N616-D618 PolarHBondContact O-N 2.96Å; N616-D618 VanDerWaalsContact O-N 3.14Å; D618-P620 VanDerWaalsContact O-CD 3.28Å; D618-P620 WeakPolarHBondContact O-CD 3.15Å
619	L	98.6	Very high	98.1	Very high	36 Å²	36	47.8 Å²	47.8	19%	0.188	24%	0.244	C	C	.	.	S	Bend	trans	-70.1	120.1	-180	-174.6	71.7	0	0	0	110.2	F611 V615 N616 D617 N621 M623 A624	F611-L619 HydrophobicContact CB-CD1 4.05Å; F611-L619 HydrophobicContact CB-CD2 3.91Å; F611-L619 HydrophobicContact CD1-CD1 4.12Å; F611-L619 HydrophobicContact CD2-CD1 3.93Å; F611-L619 HydrophobicContact CD2-CD2 4.21Å; F611-L619 HydrophobicContact CE2-CD1 4.36Å; F611-L619 HydrophobicContact CG-CD1 3.79Å; F611-L619 HydrophobicContact CG-CD2 4.31Å; V615-L619 HydrophobicContact CB-CB 4.2Å; V615-L619 HydrophobicContact CB-CD1 4.17Å; V615-L619 HydrophobicContact CG1-CB 3.96Å; V615-L619 HydrophobicContact CG1-CD1 4.08Å; V615-L619 HydrophobicContact CG2-CD1 4.45Å; N616-L619 WeakPolarHBondContact O-CB 3.44Å; N616-L619 PolarHBondContact O-N 2.88Å; N616-L619 VanDerWaalsContact O-N 3.08Å; D617-L619 VanDerWaalsContact C-N 3.34Å; L619-N621 PolarHBondContact O-N 3.1Å; L619-M623 HydrophobicContact CD1-CB 3.8Å; L619-M623 HydrophobicContact CD1-CG 4.48Å; L619-M623 HydrophobicContact CG-CB 4.21Å; L619-A624 HydrophobicContact CD2-CB 4.21Å
620	P	98.6	Very high	98.1	Very high	17 Å²	17	42.1 Å²	42.1	11%	0.11	22%	0.22	C	C	.	.			trans	-62.6	139	177	-22.9	35.2	0	0	0	111.3	L508 S509 L512 D618 E622 M623 A624	L508-P620 HydrophobicContact CB-CG 3.78Å; S509-P620 WeakPolarHBondContact OG-CG 3.44Å; L512-P620 HydrophobicContact CD1-CB 3.85Å; L512-P620 HydrophobicContact CD1-CG 4.32Å; D618-P620 VanDerWaalsContact O-CD 3.28Å; D618-P620 WeakPolarHBondContact O-CD 3.15Å; P620-E622 PolarHBondContact O-N 3.43Å; P620-M623 HydrophobicContact CB-CG 4.33Å; P620-M623 HydrophobicContact CG-CG 4.37Å; P620-M623 WeakPolarHBondContact O-CB 3.3Å; P620-M623 PolarHBondContact O-N 3.27Å; P620-A624 PolarHBondContact O-N 3.28Å
621	N	98.5	Very high	98.1	Very high	148 Å²	148	44.3 Å²	44.3	79%	0.791	23%	0.231	S	C	*	.	H	α-helix	trans	-51.8	-35.5	179.3	-70.5	-19.4	0	0	0	112.8	L619 M623 A624 R625	L619-N621 PolarHBondContact O-N 3.1Å; N621-M623 VanDerWaalsContact C-N 3.3Å; N621-M623 PolarHBondContact O-N 3.19Å; N621-A624 PolarHBondContact O-N 3.38Å; N621-R625 PolarHBondContact O-N 3.18Å
622	E	98.6	Very high	98.1	Very high	40 Å²	40	49.3 Å²	49.3	19%	0.187	25%	0.254	C	S	.	.	H	α-helix	trans	-63.1	-34.7	177.6	-178.1	53.5	-153	0	0	112.8	Q465 L512 P620 R625 Q626	Q465-E622 HydrophobicContact CB-CG 3.73Å; Q465-E622 WeakPolarHBondContact CB-OE1 3.43Å; Q465-E622 HydrophobicContact CG-CG 3.75Å; L512-E622 HydrophobicContact CD1-CB 3.93Å; L512-E622 HydrophobicContact CD1-CG 4.32Å; L512-E622 HydrophobicContact CD2-CB 4.36Å; L512-E622 HydrophobicContact CD2-CG 3.83Å; P620-E622 PolarHBondContact O-N 3.43Å; E622-R625 VanDerWaalsContact CD-NH2 3.27Å; E622-R625 WeakPolarHBondContact O-CB 3.38Å; E622-R625 PolarHBondContact O-N 3.32Å; E622-R625 IonicContact OE1-CZ 3.39Å; E622-R625 IonicContact OE1-NE 3.32Å; E622-R625 PolarHBondContact OE1-NE 3.44Å; E622-R625 IonicContact OE1-NH2 2.76Å; E622-R625 PolarHBondContact OE1-NH2 2.64Å; E622-R625 IonicContact OE2-CZ 3.29Å; E622-R625 VanDerWaalsContact OE2-CZ 3.29Å; E622-R625 IonicContact OE2-NE 2.74Å; E622-R625 PolarHBondContact OE2-NE 2.9Å; E622-R625 IonicContact OE2-NH2 2.72Å; E622-R625 PolarHBondContact OE2-NH2 3.28Å; E622-R625 VanDerWaalsContact OE2-NH2 3.07Å; E622-Q626 WeakPolarHBondContact O-CG 3.43Å; E622-Q626 PolarHBondContact O-N 2.9Å; E622-Q626 PolarHBondContact OE1-NE2 3.41Å
623	M	98.7	Very high	98.2	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-71	-38.5	176.4	-63.1	-65.9	94.6	0	0	111.9	Q465 V468 F469 A472 L508 L512 F611 L619 P620 N621 R625 Q626 L627	Q465-M623 WeakPolarHBondContact O-CE 3.39Å; V468-M623 HydrophobicContact CB-CE 4.15Å; V468-M623 HydrophobicContact CG1-CE 3.96Å; V468-M623 HydrophobicContact CG1-SD 4Å; F469-M623 HydrophobicContact CB-CE 3.95Å; F469-M623 HydrophobicContact CB-SD 3.95Å; F469-M623 HydrophobicContact CD2-SD 4.49Å; A472-M623 HydrophobicContact CB-SD 4.23Å; L508-M623 HydrophobicContact CD1-CG 4.18Å; L508-M623 HydrophobicContact CD2-SD 4.32Å; L512-M623 HydrophobicContact CD1-CE 4.23Å; L512-M623 HydrophobicContact CD2-CE 3.91Å; L512-M623 HydrophobicContact CG-CE 4.42Å; F611-M623 HydrophobicContact CE2-CB 4.47Å; L619-M623 HydrophobicContact CD1-CB 3.8Å; L619-M623 HydrophobicContact CD1-CG 4.48Å; L619-M623 HydrophobicContact CG-CB 4.21Å; P620-M623 HydrophobicContact CB-CG 4.33Å; P620-M623 HydrophobicContact CG-CG 4.37Å; P620-M623 WeakPolarHBondContact O-CB 3.3Å; P620-M623 PolarHBondContact O-N 3.27Å; N621-M623 VanDerWaalsContact C-N 3.3Å; N621-M623 PolarHBondContact O-N 3.19Å; M623-R625 VanDerWaalsContact C-N 3.32Å; M623-Q626 HydrophobicContact CE-CG 4.38Å; M623-Q626 PolarHBondContact O-N 2.93Å; M623-L627 PolarHBondContact O-N 2.93Å
624	A	98.3	Very high	98.3	Very high	33 Å²	33	46.6 Å²	46.6	27%	0.273	23%	0.232	S	C	.	.	H	α-helix	trans	-61.3	-43.5	171.6	0	0	0	0	0	111	L619 P620 N621 L627 E628	L619-A624 HydrophobicContact CD2-CB 4.21Å; P620-A624 PolarHBondContact O-N 3.28Å; N621-A624 PolarHBondContact O-N 3.38Å; A624-L627 WeakPolarHBondContact O-CB 3.41Å; A624-L627 PolarHBondContact O-N 3.21Å; A624-E628 WeakPolarHBondContact O-CG 3.46Å; A624-E628 PolarHBondContact O-N 3.47Å
625	R	98.8	Very high	98.2	Very high	114 Å²	114	53.1 Å²	53.1	43%	0.43	26%	0.26	S	S	.	.	H	α-helix	trans	-60.9	-46.6	175.6	-169.6	-179	75.7	111.7	-2	112.3	N621 E622 M623 L627 E628 L629	N621-R625 PolarHBondContact O-N 3.18Å; E622-R625 VanDerWaalsContact CD-NH2 3.27Å; E622-R625 WeakPolarHBondContact O-CB 3.38Å; E622-R625 PolarHBondContact O-N 3.32Å; E622-R625 IonicContact OE1-CZ 3.39Å; E622-R625 IonicContact OE1-NE 3.32Å; E622-R625 PolarHBondContact OE1-NE 3.44Å; E622-R625 IonicContact OE1-NH2 2.76Å; E622-R625 PolarHBondContact OE1-NH2 2.64Å; E622-R625 IonicContact OE2-CZ 3.29Å; E622-R625 VanDerWaalsContact OE2-CZ 3.29Å; E622-R625 IonicContact OE2-NE 2.74Å; E622-R625 PolarHBondContact OE2-NE 2.9Å; E622-R625 IonicContact OE2-NH2 2.72Å; E622-R625 PolarHBondContact OE2-NH2 3.28Å; E622-R625 VanDerWaalsContact OE2-NH2 3.07Å; M623-R625 VanDerWaalsContact C-N 3.32Å; R625-L627 VanDerWaalsContact C-N 3.29Å; R625-L627 PolarHBondContact O-N 3.05Å; R625-E628 PolarHBondContact O-N 2.98Å; R625-L629 HydrophobicContact CG-CD1 4.29Å; R625-L629 WeakPolarHBondContact O-CG 3.32Å; R625-L629 PolarHBondContact O-N 3.14Å
626	Q	98.8	Very high	98.1	Very high	4 Å²	4	60.5 Å²	60.5	2%	0.019	29%	0.294	C	S	.	.	H	α-helix	trans	-62.6	-36.5	178.2	-70.1	-61.4	-30.9	0	0	112.4	H466 F469 E622 M623 L629 L630	H466-Q626 PolarHBondContact CD2-OE1 3.04Å; H466-Q626 VanDerWaalsContact CD2-OE1 3.31Å; F469-Q626 HydrophobicContact CB-CB 3.6Å; F469-Q626 HydrophobicContact CB-CG 3.89Å; F469-Q626 HydrophobicContact CD1-CB 4.02Å; F469-Q626 HydrophobicContact CD2-CB 3.61Å; F469-Q626 HydrophobicContact CE2-CB 4.26Å; F469-Q626 HydrophobicContact CG-CB 3.46Å; F469-Q626 VanDerWaalsContact CG-CB 3.46Å; F469-Q626 HydrophobicContact CG-CG 4.3Å; E622-Q626 WeakPolarHBondContact O-CG 3.43Å; E622-Q626 PolarHBondContact O-N 2.9Å; E622-Q626 PolarHBondContact OE1-NE2 3.41Å; M623-Q626 HydrophobicContact CE-CG 4.38Å; M623-Q626 PolarHBondContact O-N 2.93Å; Q626-L629 PolarHBondContact O-N 3.45Å; Q626-L630 PolarHBondContact O-N 3.08Å
627	L	98.8	Very high	97.8	Very high	5 Å²	5	63.8 Å²	63.8	3%	0.026	31%	0.31	C	S	.	.	H	α-helix	trans	-63.8	-42.7	173.6	179.7	57.9	0	0	0	112.3	F469 V604 V607 R608 F611 M623 A624 R625 L630 Q631	F469-L627 HydrophobicContact CE2-CB 3.81Å; F469-L627 HydrophobicContact CE2-CD1 4.34Å; F469-L627 HydrophobicContact CZ-CB 4.26Å; F469-L627 HydrophobicContact CZ-CD1 4.18Å; V604-L627 HydrophobicContact CG1-CD1 4.11Å; V607-L627 HydrophobicContact CB-CD1 4.16Å; V607-L627 HydrophobicContact CG1-CD1 3.72Å; V607-L627 HydrophobicContact CG1-CD2 4.36Å; R608-L627 HydrophobicContact CB-CD2 3.82Å; R608-L627 HydrophobicContact CG-CD2 4.13Å; F611-L627 HydrophobicContact CD2-CD2 4.28Å; M623-L627 PolarHBondContact O-N 2.93Å; A624-L627 WeakPolarHBondContact O-CB 3.41Å; A624-L627 PolarHBondContact O-N 3.21Å; R625-L627 VanDerWaalsContact C-N 3.29Å; R625-L627 PolarHBondContact O-N 3.05Å; L627-L630 PolarHBondContact O-N 3.5Å; L627-Q631 WeakPolarHBondContact O-CB 3.45Å; L627-Q631 PolarHBondContact O-N 3.32Å
628	E	98.7	Very high	97.9	Very high	98 Å²	98	60.7 Å²	60.7	46%	0.458	29%	0.292	S	S	.	.	H	α-helix	trans	-64.1	-42.5	175.3	-71.4	173.5	-177.4	0	0	112	A624 R625 L630 Q631 Q632	A624-E628 WeakPolarHBondContact O-CG 3.46Å; A624-E628 PolarHBondContact O-N 3.47Å; R625-E628 PolarHBondContact O-N 2.98Å; E628-L630 VanDerWaalsContact C-N 3.35Å; E628-L630 PolarHBondContact O-N 3.46Å; E628-Q631 WeakPolarHBondContact O-CB 3.38Å; E628-Q631 PolarHBondContact O-N 3.37Å; E628-Q632 WeakPolarHBondContact O-CG 3.41Å; E628-Q632 PolarHBondContact O-N 2.89Å
629	L	98.7	Very high	97.9	Very high	51 Å²	51	62.7 Å²	62.7	27%	0.267	30%	0.3	S	S	.	.	H	α-helix	trans	-63.3	-40.5	176.1	-69.5	173.2	0	0	0	111.7	R625 Q626 Q632 R633	R625-L629 HydrophobicContact CG-CD1 4.29Å; R625-L629 WeakPolarHBondContact O-CG 3.32Å; R625-L629 PolarHBondContact O-N 3.14Å; Q626-L629 PolarHBondContact O-N 3.45Å; L629-Q632 PolarHBondContact O-N 3.09Å; L629-R633 WeakPolarHBondContact O-CG 3.45Å; L629-R633 PolarHBondContact O-N 3.3Å; L629-R633 VanDerWaalsContact O-N 3.08Å; L629-R633 PolarHBondContact O-NH1 3.13Å
630	L	98.7	Very high	97.9	Very high	10 Å²	10	64.2 Å²	64.2	5%	0.052	31%	0.307	C	S	.	.	H	α-helix	trans	-61	-47.8	172.1	176.4	62.3	0	0	0	110.6	F469 T568 V604 Q626 L627 E628 Q632 R633 V634	F469-L630 HydrophobicContact CE1-CB 4.38Å; F469-L630 HydrophobicContact CE1-CD2 3.93Å; F469-L630 HydrophobicContact CZ-CB 4.46Å; F469-L630 HydrophobicContact CZ-CD2 3.97Å; T568-L630 HydrophobicContact CG2-CD1 4.22Å; T568-L630 WeakPolarHBondContact O-CD1 3.29Å; V604-L630 HydrophobicContact CG2-CD2 3.71Å; V604-L630 HydrophobicContact CG2-CG 3.71Å; Q626-L630 PolarHBondContact O-N 3.08Å; L627-L630 PolarHBondContact O-N 3.5Å; E628-L630 VanDerWaalsContact C-N 3.35Å; E628-L630 PolarHBondContact O-N 3.46Å; L630-Q632 VanDerWaalsContact C-N 3.28Å; L630-Q632 PolarHBondContact O-N 3.47Å; L630-R633 PolarHBondContact O-N 3.49Å; L630-R633 VanDerWaalsContact O-N 3.16Å; L630-V634 HydrophobicContact CD1-CG2 4.13Å; L630-V634 HydrophobicContact CG-CG2 4.34Å; L630-V634 WeakPolarHBondContact O-CG2 3.46Å; L630-V634 PolarHBondContact O-N 3.15Å
631	Q	98.5	Very high	97.8	Very high	59 Å²	59	66.9 Å²	66.9	28%	0.276	32%	0.318	S	S	.	.	H	α-helix	trans	-58.3	-40.1	178.4	-172.7	176.4	11.7	0	0	112.5	V604 L627 E628 V634 K635	V604-Q631 HydrophobicContact CG1-CB 3.83Å; V604-Q631 HydrophobicContact CG1-CG 3.95Å; L627-Q631 WeakPolarHBondContact O-CB 3.45Å; L627-Q631 PolarHBondContact O-N 3.32Å; E628-Q631 WeakPolarHBondContact O-CB 3.38Å; E628-Q631 PolarHBondContact O-N 3.37Å; Q631-V634 PolarHBondContact O-N 3.06Å; Q631-K635 WeakPolarHBondContact O-CG 3.36Å; Q631-K635 PolarHBondContact O-N 3.08Å; Q631-K635 VanDerWaalsContact O-N 3.08Å
632	Q	98.4	Very high	97.8	Very high	106 Å²	106	61.9 Å²	61.9	50%	0.495	29%	0.289	S	S	.	.	H	α-helix	trans	-63.9	-44.9	176.1	-72.9	173.9	6.4	0	0	111.7	E628 L629 L630 V634 K635 Q636	E628-Q632 WeakPolarHBondContact O-CG 3.41Å; E628-Q632 PolarHBondContact O-N 2.89Å; L629-Q632 PolarHBondContact O-N 3.09Å; L630-Q632 VanDerWaalsContact C-N 3.28Å; L630-Q632 PolarHBondContact O-N 3.47Å; Q632-V634 PolarHBondContact O-N 3.04Å; Q632-K635 PolarHBondContact O-N 3.21Å; Q632-Q636 WeakPolarHBondContact O-CG 3.5Å; Q632-Q636 PolarHBondContact O-N 2.94Å
633	R	98.4	Very high	97.7	Very high	51 Å²	51	63.3 Å²	63.3	19%	0.192	30%	0.295	C	S	.	.	H	α-helix	trans	-63.3	-40.7	176.5	-69.5	-173	-60	-90.9	5.4	112	H466 T568 L629 L630 K635 Q636 M637	H466-R633 PolarHBondContact NE2-NH2 3.36Å; T568-R633 HydrophobicContact CG2-CB 3.99Å; T568-R633 PolarHBondContact O-NE 3.14Å; L629-R633 WeakPolarHBondContact O-CG 3.45Å; L629-R633 PolarHBondContact O-N 3.3Å; L629-R633 VanDerWaalsContact O-N 3.08Å; L629-R633 PolarHBondContact O-NH1 3.13Å; L630-R633 PolarHBondContact O-N 3.49Å; L630-R633 VanDerWaalsContact O-N 3.16Å; R633-K635 VanDerWaalsContact C-N 3.34Å; R633-K635 PolarHBondContact O-N 3.48Å; R633-Q636 PolarHBondContact O-N 2.95Å; R633-Q636 VanDerWaalsContact O-N 3.15Å; R633-M637 PolarHBondContact O-N 3.23Å
634	V	97.9	Very high	97.6	Very high	4 Å²	4	67.9 Å²	67.9	2%	0.024	32%	0.317	C	S	.	.	H	α-helix	trans	-60.8	-43.9	176.6	173.2	0	0	0	0	110.9	T568 H597 W600 Q601 V604 L630 Q631 Q632 Q636 M637	T568-V634 HydrophobicContact CG2-CB 4.28Å; T568-V634 HydrophobicContact CG2-CG2 3.48Å; T568-V634 VanDerWaalsContact CG2-CG2 3.48Å; H597-V634 PolarHBondContact CD2-O 3.31Å; W600-V634 HydrophobicContact CB-CG1 4.12Å; W600-V634 HydrophobicContact CB-CG2 3.76Å; Q601-V634 HydrophobicContact CB-CG1 4.29Å; V604-V634 HydrophobicContact CG2-CG2 4.11Å; L630-V634 HydrophobicContact CD1-CG2 4.13Å; L630-V634 HydrophobicContact CG-CG2 4.34Å; L630-V634 WeakPolarHBondContact O-CG2 3.46Å; L630-V634 PolarHBondContact O-N 3.15Å; Q631-V634 PolarHBondContact O-N 3.06Å; Q632-V634 PolarHBondContact O-N 3.04Å; V634-Q636 PolarHBondContact O-N 3.31Å; V634-Q636 VanDerWaalsContact O-N 3.14Å; V634-M637 HydrophobicContact CG1-SD 4.45Å; V634-M637 WeakPolarHBondContact O-CB 3.36Å; V634-M637 WeakPolarHBondContact O-CG 3.48Å; V634-M637 PolarHBondContact O-N 3.38Å
635	K	96.6	Very high	97.6	Very high	148 Å²	148	70.5 Å²	70.5	64%	0.643	32%	0.32	S	S	*	.	H	α-helix	trans	-63.7	-16.9	177.6	-74.1	176.5	178.5	-178.7	0	114.4	Q631 Q632 R633	Q631-K635 WeakPolarHBondContact O-CG 3.36Å; Q631-K635 PolarHBondContact O-N 3.08Å; Q631-K635 VanDerWaalsContact O-N 3.08Å; Q632-K635 PolarHBondContact O-N 3.21Å; R633-K635 VanDerWaalsContact C-N 3.34Å; R633-K635 PolarHBondContact O-N 3.48Å
636	Q	95.3	Very high	97.5	Very high	156 Å²	156	66.9 Å²	66.9	73%	0.729	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	2.6	-178	-69	175.2	-2.7	0	0	113.2	Q632 R633 V634	Q632-Q636 WeakPolarHBondContact O-CG 3.5Å; Q632-Q636 PolarHBondContact O-N 2.94Å; R633-Q636 PolarHBondContact O-N 2.95Å; R633-Q636 VanDerWaalsContact O-N 3.15Å; V634-Q636 PolarHBondContact O-N 3.31Å; V634-Q636 VanDerWaalsContact O-N 3.14Å
637	M	91.3	Very high	97.4	Very high	111 Å²	111	72.6 Å²	72.6	55%	0.547	34%	0.337	S	S	.	.			trans	-67.6	0	-179.1	-69.3	179.3	65.6	0	0	114.1	T568 L595 R633 V634	T568-M637 HydrophobicContact CG2-CG 4.16Å; T568-M637 HydrophobicContact CG2-SD 3.65Å; T568-M637 WeakPolarHBondContact OG1-CG 3.46Å; T568-M637 PolarHBondContact OG1-SD 3.21Å; L595-M637 HydrophobicContact CB-CE 3.67Å; L595-M637 WeakPolarHBondContact O-CE 3.37Å; R633-M637 PolarHBondContact O-N 3.23Å; V634-M637 HydrophobicContact CG1-SD 4.45Å; V634-M637 WeakPolarHBondContact O-CB 3.36Å; V634-M637 WeakPolarHBondContact O-CG 3.48Å; V634-M637 PolarHBondContact O-N 3.38Å

Retrieved 637 of 637 residues in 754 ms (Link to these results)

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