A0A087Y7K1_POEFO Loading...

Protein kinase C

AlphaFold DB , UniProt , Accession A0A087Y7K1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 671 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.4	Very low	31.5	Very low	249 Å²	249	148.5 Å²	148.5	100%	1.227	83%	0.828	S	S	*	*				0	137.2	0	-82	175.1	167.9	0	0	106.8
2	A	34.7	Very low	31.6	Very low	91 Å²	91	143.4 Å²	143.4	75%	0.752	82%	0.819	S	S	*	*			trans	-42.8	151.5	-165.2	0	0	0	0	0	115
3	D	29.3	Very low	31.8	Very low	165 Å²	165	142 Å²	142	88%	0.882	81%	0.808	S	S	*	*			cis	-161.1	152.7	45.7	-120.5	-30.1	0	0	0	112
4	A	30.6	Very low	32	Very low	81 Å²	81	142.9 Å²	142.9	67%	0.669	82%	0.817	S	S	*	*			trans	-115.2	139.7	-179.8	0	0	0	0	0	111.7
5	S	29.3	Very low	32.1	Very low	104 Å²	104	139.6 Å²	139.6	73%	0.727	81%	0.814	S	S	*	*			trans	65.6	111.9	144.5	55.3	0	0	0	0	121.2
6	F	30.5	Very low	32.3	Very low	203 Å²	203	139.3 Å²	139.3	89%	0.89	81%	0.808	S	S	*	*			trans	36.1	121.4	131.5	-72	-88.4	0	0	0	119.7
7	N	27.2	Very low	32.7	Very low	142 Å²	142	144.8 Å²	144.8	76%	0.759	81%	0.812	S	S	*	*				-164.9	162.1	102.4	-131.4	2.1	0	0	0	114
8	E	34.2	Very low	33	Very low	167 Å²	167	147.8 Å²	147.8	78%	0.78	82%	0.816	S	S	*	*			trans	-37.5	166.4	-178.8	-64.3	172.4	130.9	0	0	119.5
9	S	32.6	Very low	32.9	Very low	102 Å²	102	144.4 Å²	144.4	71%	0.713	81%	0.809	S	S	*	*			trans	90.6	110.4	174	75.5	0	0	0	0	114.2
10	F	31.3	Very low	33	Very low	179 Å²	179	149.2 Å²	149.2	79%	0.785	81%	0.814	S	S	*	*			trans	167.8	75.1	148.2	-91.4	-66	0	0	0	110
11	T	33.7	Very low	33	Very low	150 Å²	150	151.7 Å²	151.7	92%	0.92	82%	0.817	S	S	*	*	S	Bend	trans	-145.2	57.4	153.2	43.8	0	0	0	0	109.7
12	A	32.4	Very low	33.5	Very low	88 Å²	88	143.5 Å²	143.5	73%	0.727	80%	0.797	S	S	*	*			trans	-155.6	56.3	171.6	0	0	0	0	0	111.2
13	D	34.5	Very low	33.3	Very low	125 Å²	125	143.8 Å²	143.8	67%	0.668	80%	0.799	S	S	*	*			trans	-152	32.6	177.5	-106.4	-23.6	0	0	0	116.5
14	V	34.3	Very low	33.7	Very low	154 Å²	154	144.1 Å²	144.1	93%	0.933	80%	0.8	S	S	*	*	S	Bend	trans	-129	25.1	168.1	-160.5	0	0	0	0	112.8
15	A	33.1	Very low	34.1	Very low	94 Å²	94	151.6 Å²	151.6	78%	0.777	81%	0.81	S	S	*	*	S	Bend	trans	-134.6	42.8	175.6	0	0	0	0	0	112.3
16	N	36.4	Very low	34.6	Very low	134 Å²	134	155.1 Å²	155.1	72%	0.717	82%	0.816	S	S	*	*			trans	-146.3	51.8	-177.9	-117.3	-11.2	0	0	0	114.8
17	R	37.9	Very low	35.8	Very low	233 Å²	233	151 Å²	151	88%	0.879	80%	0.797	S	S	*	*	S	Bend	trans	-137.5	127.7	155.2	-70.8	-169.8	177.5	179.2	-0.6	109.5
18	F	37.9	Very low	37.9	Very low	199 Å²	199	150.4 Å²	150.4	87%	0.873	79%	0.794	S	S	*	*			trans	91.6	39.1	-175.2	-53	-74.9	0	0	0	118.1
19	A	31	Very low	40.2	Very low	84 Å²	84	145.9 Å²	145.9	69%	0.694	78%	0.778	S	S	*	*			trans	-101	95.8	146.3	0	0	0	0	0	108.6	K21	A19-K21 PolarHBondContact O-N 3.4Å
20	R	36.1	Very low	42.6	Very low	239 Å²	239	144.2 Å²	144.2	90%	0.902	76%	0.759	S	S	*	*			trans	-69.8	102.6	164.1	-77.3	-174.4	-176.5	173.3	2.3	107.2	G22	R20-G22 PolarHBondContact O-N 3.01Å
21	K	33.3	Very low	45.3	Very low	203 Å²	203	141.8 Å²	141.8	88%	0.883	75%	0.75	S	S	*	*			trans	-45.9	134.5	164	-78.6	179.6	174.3	178.8	0	109.2	A19 A23	A19-K21 PolarHBondContact O-N 3.4Å; K21-A23 PolarHBondContact O-N 3.34Å
22	G	42.5	Very low	47.5	Very low	77 Å²	77	135.9 Å²	135.9	79%	0.794	71%	0.713	S	S	*	*			trans	-49.7	117.3	-174.2	0	0	0	0	0	113	R20 L24	R20-G22 PolarHBondContact O-N 3.01Å; G22-L24 PolarHBondContact O-N 3.44Å
23	A	30.5	Very low	49.7	Very low	97 Å²	97	136.7 Å²	136.7	80%	0.802	70%	0.7	S	S	*	*			trans	-77.4	101.7	153.5	0	0	0	0	0	106.7	K21 R25	K21-A23 PolarHBondContact O-N 3.34Å; A23-R25 VanDerWaalsContact C-N 3.33Å; A23-R25 PolarHBondContact O-N 3.23Å
24	L	38.6	Very low	52	Low	172 Å²	172	134.3 Å²	134.3	90%	0.901	69%	0.688	S	S	*	*			trans	-60.2	101.3	162.7	-91.2	151.2	0	0	0	107	G22 Q26	G22-L24 PolarHBondContact O-N 3.44Å; L24-Q26 PolarHBondContact O-N 3.4Å
25	R	39	Very low	54.3	Low	237 Å²	237	127 Å²	127	89%	0.894	64%	0.643	S	S	*	*			trans	-64	106.2	174.1	-153.5	175.9	-176.8	-179	0.9	106.5	A23 K27	A23-R25 VanDerWaalsContact C-N 3.33Å; A23-R25 PolarHBondContact O-N 3.23Å; R25-K27 PolarHBondContact O-N 3.11Å; R25-K27 VanDerWaalsContact O-N 3.07Å
26	Q	40.6	Very low	57	Low	179 Å²	179	126.9 Å²	126.9	84%	0.836	63%	0.625	S	S	*	*			trans	-51.8	117.7	176.4	-155.5	168.5	7.7	0	0	107.3	L24 N28	L24-Q26 PolarHBondContact O-N 3.4Å; Q26-N28 PolarHBondContact O-N 2.78Å
27	K	54.3	Low	59.7	Low	115 Å²	115	120.5 Å²	120.5	50%	0.5	59%	0.591	S	S	.	*			trans	-65	124.7	178.5	-68.2	-178.9	-178.5	174	0	106.2	R25 V29	R25-K27 PolarHBondContact O-N 3.11Å; R25-K27 VanDerWaalsContact O-N 3.07Å; K27-V29 WeakPolarHBondContact O-CG2 3.42Å; K27-V29 PolarHBondContact O-N 3.48Å
28	N	71.6	Confident	62.1	Low	131 Å²	131	109.6 Å²	109.6	70%	0.701	55%	0.55	S	S	*	*			trans	-58.6	110.5	171.9	-69.5	-5.3	0	0	0	107.9	Q26	Q26-N28 PolarHBondContact O-N 2.78Å
29	V	82.6	Confident	64.3	Low	71 Å²	71	101.2 Å²	101.2	43%	0.43	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	125.1	174.1	-177.2	0	0	0	0	106.7	K27 K36 F37 I38	K27-V29 WeakPolarHBondContact O-CG2 3.42Å; K27-V29 PolarHBondContact O-N 3.48Å; V29-K36 HydrophobicContact CG1-CB 3.76Å; V29-K36 HydrophobicContact CG1-CG 4.24Å; V29-F37 WeakPolarHBondContact CA-O 3.43Å; V29-I38 HydrophobicContact CG2-CG2 3.97Å
30	H	83.5	Confident	66.7	Low	68 Å²	68	102.4 Å²	102.4	32%	0.315	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	115.1	174.7	-65.4	-104.5	0	0	0	107.5	H35 F37 F63 H77	H30-H35 VanDerWaalsContact O-O 3.14Å; H30-F37 HydrophobicContact CB-CB 4.18Å; H30-F37 PolarHBondContact N-O 2.94Å; H30-F37 WeakPolarHBondContact O-CB 3.3Å; H30-F37 PolarHBondContact O-N 3.07Å; H30-F63 AromaticContact CD2-CE1 3.7Å; H30-F63 AromaticContact CD2-CZ 3.61Å; H30-F63 AromaticContact NE2-CE1 3.97Å; H30-F63 AromaticContact NE2-CZ 3.63Å; H30-H77 AromaticContact CG-NE2 3.87Å; H30-H77 AromaticContact ND1-NE2 3.59Å
31	E	88.1	Confident	68.6	Low	128 Å²	128	96.4 Å²	96.4	60%	0.598	49%	0.485	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.3	114.6	-178.9	-164.8	157.3	-146.3	0	0	109.8	H35 K36	E31-H35 VanDerWaalsContact CA-O 3.29Å; E31-H35 WeakPolarHBondContact CA-O 3.35Å; E31-K36 WeakPolarHBondContact OE1-CE 3.35Å
32	V	80.3	Confident	70.5	Confident	26 Å²	26	87.7 Å²	87.7	16%	0.158	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	119	-179.9	-177.8	0	0	0	0	108.1	D34 H35 F37 H77	V32-D34 VanDerWaalsContact C-N 3.27Å; V32-D34 PolarHBondContact O-N 2.83Å; V32-H35 PolarHBondContact N-O 3.39Å; V32-H35 WeakPolarHBondContact O-CA 3.24Å; V32-H35 VanDerWaalsContact O-CB 3.23Å; V32-H35 WeakPolarHBondContact O-CB 3.44Å; V32-H35 PolarHBondContact O-N 3.48Å; V32-F37 HydrophobicContact CB-CD2 4.32Å; V32-F37 HydrophobicContact CB-CE2 4.25Å; V32-F37 HydrophobicContact CG2-CD2 4.48Å; V32-H77 WeakPolarHBondContact CG1-O 3.36Å
33	K	78.1	Confident	71	Confident	104 Å²	104	90.3 Å²	90.3	45%	0.452	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.9	50.8	-178.5	-57.2	-68.5	-173.7	173.9	0	111.7	H35 V80 F82 S83 C84	K33-H35 PolarHBondContact O-CD2 2.87Å; K33-H35 PolarHBondContact O-N 3.2Å; K33-V80 WeakPolarHBondContact CG-O 3.37Å; K33-F82 VanDerWaalsContact CB-O 3.28Å; K33-F82 WeakPolarHBondContact CB-O 3.39Å; K33-S83 CarbonylContact O-C 3.54Å; K33-S83 VanDerWaalsContact O-CA 3.22Å; K33-S83 WeakPolarHBondContact O-CA 3.43Å; K33-C84 PolarHBondContact O-N 3.29Å
34	D	83.3	Confident	72.4	Confident	75 Å²	75	87.2 Å²	87.2	40%	0.401	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.8	1.3	-178.8	-42.1	-54.3	0	0	0	115.5	V32 S83 C84 A87	V32-D34 VanDerWaalsContact C-N 3.27Å; V32-D34 PolarHBondContact O-N 2.83Å; D34-S83 PolarHBondContact OD2-OG 2.87Å; D34-C84 VanDerWaalsContact C-CB 3.4Å; D34-C84 HydrophobicContact CB-CB 4.15Å; D34-C84 VanDerWaalsContact O-CB 3.27Å; D34-C84 WeakPolarHBondContact O-CB 3.47Å; D34-A87 HydrophobicContact CB-CB 3.82Å; D34-A87 WeakPolarHBondContact O-CB 3.35Å
35	H	82.8	Confident	73.7	Confident	0 Å²	0	82.3 Å²	82.3	0%	0	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	124.8	168.8	-69.7	-94	0	0	0	110.3	H30 E31 V32 K33 F37 C65 C68 F82 C84	H30-H35 VanDerWaalsContact O-O 3.14Å; E31-H35 VanDerWaalsContact CA-O 3.29Å; E31-H35 WeakPolarHBondContact CA-O 3.35Å; V32-H35 PolarHBondContact N-O 3.39Å; V32-H35 WeakPolarHBondContact O-CA 3.24Å; V32-H35 VanDerWaalsContact O-CB 3.23Å; V32-H35 WeakPolarHBondContact O-CB 3.44Å; V32-H35 PolarHBondContact O-N 3.48Å; K33-H35 PolarHBondContact O-CD2 2.87Å; K33-H35 PolarHBondContact O-N 3.2Å; H35-F37 HydrophobicContact CB-CD2 3.75Å; H35-F37 HydrophobicContact CB-CE1 4.36Å; H35-F37 HydrophobicContact CB-CE2 3.3Å; H35-F37 HydrophobicContact CB-CG 4.45Å; H35-F37 HydrophobicContact CB-CZ 3.63Å; H35-F37 AromaticContact CG-CE2 3.89Å; H35-F37 AromaticContact CG-CZ 3.8Å; H35-F37 AromaticContact ND1-CZ 3.99Å; H35-F37 PolarHBondContact O-N 3.31Å; H35-C65 HydrophobicContact CB-CB 4.33Å; H35-C65 PolarHBondContact ND1-SG 2.94Å; H35-C65 VanDerWaalsContact ND1-SG 3.4Å; H35-C68 PolarHBondContact CE1-SG 3.32Å; H35-C68 PolarHBondContact ND1-SG 2.69Å; H35-F82 AromaticContact CE1-CE2 3.78Å; H35-F82 AromaticContact NE2-CD2 3.83Å; H35-F82 AromaticContact NE2-CE2 3.5Å; H35-F82 WeakPolarHBondContact NE2-CE2 3.36Å; H35-C84 HydrophobicContact CB-CB 4.23Å; H35-C84 WeakPolarHBondContact NE2-CA 3.5Å; H35-C84 PolarHBondContact NE2-N 3.27Å
36	K	89.3	Confident	75.2	Confident	93 Å²	93	71.1 Å²	71.1	40%	0.404	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	83.6	172.6	-65.9	178.3	-176.8	174.8	0	110.4	V29 E31 C65 Q66 V67	V29-K36 HydrophobicContact CG1-CB 3.76Å; V29-K36 HydrophobicContact CG1-CG 4.24Å; E31-K36 WeakPolarHBondContact OE1-CE 3.35Å; K36-C65 WeakPolarHBondContact O-CA 3.35Å; K36-Q66 PolarHBondContact O-N 3.49Å; K36-V67 HydrophobicContact CB-CG2 4.47Å; K36-V67 HydrophobicContact CD-CG2 4.45Å
37	F	91.9	Very high	76.7	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	130	-178.5	-73.4	-66.2	0	0	0	112.2	V29 H30 V32 H35 F63 C65 F70 V72 H77 V80	V29-F37 WeakPolarHBondContact CA-O 3.43Å; H30-F37 HydrophobicContact CB-CB 4.18Å; H30-F37 PolarHBondContact N-O 2.94Å; H30-F37 WeakPolarHBondContact O-CB 3.3Å; H30-F37 PolarHBondContact O-N 3.07Å; V32-F37 HydrophobicContact CB-CD2 4.32Å; V32-F37 HydrophobicContact CB-CE2 4.25Å; V32-F37 HydrophobicContact CG2-CD2 4.48Å; H35-F37 HydrophobicContact CB-CD2 3.75Å; H35-F37 HydrophobicContact CB-CE1 4.36Å; H35-F37 HydrophobicContact CB-CE2 3.3Å; H35-F37 HydrophobicContact CB-CG 4.45Å; H35-F37 HydrophobicContact CB-CZ 3.63Å; H35-F37 AromaticContact CG-CE2 3.89Å; H35-F37 AromaticContact CG-CZ 3.8Å; H35-F37 AromaticContact ND1-CZ 3.99Å; H35-F37 PolarHBondContact O-N 3.31Å; F37-F63 HydrophobicContact CB-CB 4.03Å; F37-F63 HydrophobicContact CB-CG 4.26Å; F37-F63 HydrophobicContact CD1-CB 3.99Å; F37-F63 HydrophobicContact CG-CB 4.25Å; F37-C65 HydrophobicContact CD1-CB 4.01Å; F37-C65 HydrophobicContact CE1-CB 3.81Å; F37-C65 HydrophobicContact CZ-CB 4.47Å; F37-F70 HydrophobicContact CE1-CD1 4.31Å; F37-F70 HydrophobicContact CZ-CD1 4.11Å; F37-V72 HydrophobicContact CD1-CG2 4.03Å; F37-V72 HydrophobicContact CE1-CG2 3.64Å; F37-V72 HydrophobicContact CZ-CG2 4.03Å; F37-H77 HydrophobicContact CD2-CB 3.97Å; F37-H77 HydrophobicContact CE2-CB 4.16Å; F37-H77 HydrophobicContact CG-CB 4.25Å; F37-V80 HydrophobicContact CE2-CG2 4.31Å; F37-V80 HydrophobicContact CZ-CG2 4.06Å
38	I	88.3	Confident	77.5	Confident	4 Å²	4	60.3 Å²	60.3	2%	0.021	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	140.8	172.8	57.2	162.7	0	0	0	111.2	V29 R40 F63 Q64 Q66	V29-I38 HydrophobicContact CG2-CG2 3.97Å; I38-R40 HydrophobicContact CD1-CG 4.35Å; I38-R40 HydrophobicContact CG1-CG 4.31Å; I38-R40 PolarHBondContact O-N 2.9Å; I38-F63 WeakPolarHBondContact O-CA 3.39Å; I38-Q64 WeakPolarHBondContact CG1-O 3.23Å; I38-Q64 PolarHBondContact N-O 3.39Å; I38-Q64 PolarHBondContact O-N 3.25Å; I38-Q66 HydrophobicContact CB-CG 4.29Å; I38-Q66 HydrophobicContact CD1-CG 3.68Å; I38-Q66 HydrophobicContact CG1-CG 3.63Å; I38-Q66 VanDerWaalsContact CG2-CD 3.47Å; I38-Q66 HydrophobicContact CG2-CG 3.73Å
39	A	85.3	Confident	77.7	Confident	23 Å²	23	55 Å²	55	19%	0.19	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	122.9	176.4	0	0	0	0	0	109.5	K60 G62 F63	A39-K60 HydrophobicContact CB-CB 4.1Å; A39-K60 HydrophobicContact CB-CD 3.57Å; A39-K60 HydrophobicContact CB-CG 4.44Å; A39-K60 WeakPolarHBondContact O-CD 3.49Å; A39-K60 WeakPolarHBondContact O-CE 3.36Å; A39-K60 PolarHBondContact O-NZ 3.35Å; A39-K60 VanDerWaalsContact O-NZ 3.13Å; A39-G62 WeakPolarHBondContact CA-O 3.5Å; A39-F63 VanDerWaalsContact CA-CD1 3.48Å; A39-F63 HydrophobicContact CB-CD1 3.95Å; A39-F63 HydrophobicContact CB-CE1 3.67Å
40	R	80.3	Confident	77.2	Confident	108 Å²	108	54.6 Å²	54.6	41%	0.408	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	147.4	-177.3	-85.4	-73.3	-171.1	177.7	3.1	111.4	I38 F42 K60 Q61 G62 Q64	I38-R40 HydrophobicContact CD1-CG 4.35Å; I38-R40 HydrophobicContact CG1-CG 4.31Å; I38-R40 PolarHBondContact O-N 2.9Å; R40-F42 HydrophobicContact CB-CE1 4.02Å; R40-F42 HydrophobicContact CB-CE2 4.09Å; R40-F42 HydrophobicContact CB-CZ 3.76Å; R40-K60 CarbonylContact O-C 3.5Å; R40-K60 VanDerWaalsContact O-C 3.22Å; R40-K60 WeakPolarHBondContact O-CA 3.1Å; R40-K60 WeakPolarHBondContact O-CB 3.24Å; R40-Q61 PolarHBondContact O-N 2.74Å; R40-Q61 VanDerWaalsContact O-N 3.07Å; R40-G62 PolarHBondContact N-O 3.16Å; R40-Q64 HydrophobicContact CB-CB 4.35Å; R40-Q64 HydrophobicContact CG-CB 3.85Å
41	F	76.4	Confident	75.9	Confident	113 Å²	113	52.3 Å²	52.3	50%	0.496	25%	0.25	S	S	.	.			trans	-92.6	122.8	164	-175.2	-86.1	0	0	0	106.2	K43 G59	F41-K43 HydrophobicContact CD1-CG 3.74Å; F41-K43 HydrophobicContact CE1-CB 4.36Å; F41-K43 HydrophobicContact CE1-CG 3.74Å; F41-G59 WeakPolarHBondContact CD2-O 3.41Å; F41-G59 WeakPolarHBondContact CE2-O 3.49Å
42	F	73.2	Confident	74.5	Confident	20 Å²	20	48.6 Å²	48.6	9%	0.088	24%	0.236	C	C	.	.			trans	-102	112.3	176.9	-58.8	-76.7	0	0	0	107.5	R40 Q44 T46 I55 Q61 Q64 V71	R40-F42 HydrophobicContact CB-CE1 4.02Å; R40-F42 HydrophobicContact CB-CE2 4.09Å; R40-F42 HydrophobicContact CB-CZ 3.76Å; F42-Q44 VanDerWaalsContact C-N 3.31Å; F42-T46 WeakPolarHBondContact CB-OG1 3.43Å; F42-T46 HydrophobicContact CD1-CG2 4Å; F42-T46 HydrophobicContact CE1-CG2 4.31Å; F42-T46 HydrophobicContact CG-CG2 4.25Å; F42-I55 HydrophobicContact CD2-CG2 4.11Å; F42-I55 HydrophobicContact CE2-CD1 4.44Å; F42-I55 HydrophobicContact CE2-CG2 4.28Å; F42-Q61 HydrophobicContact CD2-CB 4.46Å; F42-Q61 PolarHBondContact O-NE2 3.38Å; F42-Q61 PolarHBondContact O-OE1 2.93Å; F42-Q64 HydrophobicContact CE1-CB 4.31Å; F42-Q64 HydrophobicContact CZ-CB 4.14Å; F42-V71 HydrophobicContact CE1-CG1 3.91Å; F42-V71 HydrophobicContact CE1-CG2 3.79Å; F42-V71 HydrophobicContact CE2-CG1 4.15Å; F42-V71 HydrophobicContact CZ-CB 4.43Å; F42-V71 HydrophobicContact CZ-CG1 3.55Å; F42-V71 HydrophobicContact CZ-CG2 4Å
43	K	52.7	Low	73.4	Confident	132 Å²	132	50.9 Å²	50.9	57%	0.574	25%	0.248	S	C	*	.	S	Bend	trans	-75.6	-23.7	-176.8	-64	175.5	176.4	175	0	112.7	F41 D543	F41-K43 HydrophobicContact CD1-CG 3.74Å; F41-K43 HydrophobicContact CE1-CB 4.36Å; F41-K43 HydrophobicContact CE1-CG 3.74Å; K43-D543 IonicContact NZ-OD1 3.35Å; K43-D543 PolarHBondContact NZ-OD1 3.48Å; K43-D543 IonicContact NZ-OD2 2.7Å; K43-D543 PolarHBondContact NZ-OD2 2.96Å
44	Q	61	Low	72.6	Confident	33 Å²	33	50.3 Å²	50.3	15%	0.154	25%	0.245	C	C	.	.	S	Bend	trans	-107.2	158.3	179.3	68.3	-171.7	-75.2	0	0	111.1	F42 T46 Y121	F42-Q44 VanDerWaalsContact C-N 3.31Å; Q44-T46 PolarHBondContact O-N 3.49Å; Q44-T46 PolarHBondContact O-OG1 2.68Å; Q44-Y121 PolarHBondContact OE1-OH 2.8Å
45	P	65.5	Low	71.9	Confident	69 Å²	69	46.8 Å²	46.8	45%	0.448	23%	0.227	S	C	.	.			trans	-57	112.2	172.9	-24.7	34.4	0	0	0	111.1	F54 F112	P45-F54 HydrophobicContact CB-CE2 3.88Å; P45-F54 HydrophobicContact CB-CZ 4.5Å; P45-F112 WeakPolarHBondContact O-CE1 3.35Å
46	T	70.3	Confident	70.9	Confident	1 Å²	1	56 Å²	56	1%	0.006	26%	0.261	C	S	.	.			trans	-122.3	131	-174.8	-53.7	0	0	0	0	109.4	F42 Q44 F54 I55 V71 G117	F42-T46 WeakPolarHBondContact CB-OG1 3.43Å; F42-T46 HydrophobicContact CD1-CG2 4Å; F42-T46 HydrophobicContact CE1-CG2 4.31Å; F42-T46 HydrophobicContact CG-CG2 4.25Å; Q44-T46 PolarHBondContact O-N 3.49Å; Q44-T46 PolarHBondContact O-OG1 2.68Å; T46-F54 WeakPolarHBondContact O-CD2 3.48Å; T46-I55 HydrophobicContact CG2-CD1 4.43Å; T46-I55 WeakPolarHBondContact O-CB 3.35Å; T46-I55 PolarHBondContact O-N 2.78Å; T46-V71 HydrophobicContact CG2-CB 4.5Å; T46-V71 HydrophobicContact CG2-CG1 3.7Å; T46-G117 WeakPolarHBondContact CA-O 3.45Å
47	F	71.7	Confident	69.2	Low	66 Å²	66	53.3 Å²	53.3	29%	0.289	26%	0.26	S	S	.	.	B	Isolated β-bridge	trans	-99.4	146.4	179	-66.4	-94	0	0	0	110.8	S49 T52 D53 F54 F112 G117	F47-S49 PolarHBondContact O-N 2.84Å; F47-T52 VanDerWaalsContact CD1-O 3.3Å; F47-T52 WeakPolarHBondContact CD1-O 3.45Å; F47-D53 WeakPolarHBondContact CA-O 3.41Å; F47-F54 HydrophobicContact CD1-CB 4.06Å; F47-F54 HydrophobicContact CE1-CB 3.76Å; F47-F54 HydrophobicContact CE1-CD2 4.38Å; F47-F54 HydrophobicContact CE1-CG 4.47Å; F47-F54 HydrophobicContact CZ-CB 4.43Å; F47-F54 HydrophobicContact CZ-CD2 4.35Å; F47-F112 HydrophobicContact CD2-CB 4.25Å; F47-F112 AromaticContact CD2-CD1 3.8Å; F47-F112 HydrophobicContact CD2-CD1 3.8Å; F47-F112 HydrophobicContact CD2-CD2 4.04Å; F47-F112 HydrophobicContact CD2-CE1 4.16Å; F47-F112 HydrophobicContact CD2-CE2 4.39Å; F47-F112 AromaticContact CD2-CG 3.74Å; F47-F112 HydrophobicContact CD2-CG 3.74Å; F47-F112 HydrophobicContact CD2-CZ 4.45Å; F47-F112 AromaticContact CE2-CD1 3.96Å; F47-F112 HydrophobicContact CE2-CD1 3.96Å; F47-F112 AromaticContact CE2-CD2 3.8Å; F47-F112 HydrophobicContact CE2-CD2 3.8Å; F47-F112 AromaticContact CE2-CE1 3.89Å; F47-F112 HydrophobicContact CE2-CE1 3.89Å; F47-F112 AromaticContact CE2-CE2 3.73Å; F47-F112 HydrophobicContact CE2-CE2 3.73Å; F47-F112 AromaticContact CE2-CG 3.93Å; F47-F112 HydrophobicContact CE2-CG 3.93Å; F47-F112 AromaticContact CE2-CZ 3.78Å; F47-F112 HydrophobicContact CE2-CZ 3.78Å; F47-G117 PolarHBondContact N-O 2.71Å; F47-G117 VanDerWaalsContact N-O 3.11Å; F47-G117 VanDerWaalsContact O-CA 3.23Å; F47-G117 WeakPolarHBondContact O-CA 3.34Å
48	C	71.8	Confident	66.9	Low	1 Å²	1	63.8 Å²	63.8	1%	0.007	31%	0.306	C	S	.	.			trans	-71.3	120.1	177.6	171.3	0	0	0	0	110.3	H50 C51 T52 D53 I55 V72 H73	C48-H50 PolarHBondContact O-N 2.82Å; C48-H50 PolarHBondContact SG-N 3.31Å; C48-H50 VanDerWaalsContact SG-N 3.41Å; C48-C51 VanDerWaalsContact CB-SG 3.59Å; C48-C51 PolarHBondContact O-N 3.33Å; C48-C51 PolarHBondContact SG-N 3Å; C48-C51 VanDerWaalsContact SG-N 3.43Å; C48-T52 WeakPolarHBondContact O-CA 3.38Å; C48-T52 PolarHBondContact O-N 3.38Å; C48-D53 PolarHBondContact N-O 2.75Å; C48-I55 HydrophobicContact CB-CD1 3.95Å; C48-I55 HydrophobicContact CB-CG1 3.85Å; C48-V72 VanDerWaalsContact SG-CA 3.51Å; C48-H73 WeakPolarHBondContact CB-CE1 3.39Å; C48-H73 WeakPolarHBondContact CB-ND1 3.1Å; C48-H73 PolarHBondContact SG-N 3.45Å; C48-H73 VanDerWaalsContact SG-N 3.39Å
49	S	75.4	Confident	65.9	Low	19 Å²	19	65.4 Å²	65.4	13%	0.133	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-9	177.8	-59.2	0	0	0	0	115	F47 V71 D114 H115	F47-S49 PolarHBondContact O-N 2.84Å; S49-V71 WeakPolarHBondContact CB-O 3.33Å; S49-V71 PolarHBondContact N-O 2.8Å; S49-V71 PolarHBondContact OG-O 3.31Å; S49-D114 WeakPolarHBondContact CA-O 3.32Å; S49-D114 WeakPolarHBondContact CB-O 3.17Å; S49-D114 PolarHBondContact OG-O 3.45Å; S49-H115 PolarHBondContact OG-O 3.1Å
50	H	71.4	Confident	65.3	Low	64 Å²	64	68.9 Å²	68.9	30%	0.296	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-50.5	173.8	174.7	80.6	0	0	0	112.7	C48 V72 C76 L79	C48-H50 PolarHBondContact O-N 2.82Å; C48-H50 PolarHBondContact SG-N 3.31Å; C48-H50 VanDerWaalsContact SG-N 3.41Å; H50-V72 HydrophobicContact CB-CG1 3.83Å; H50-C76 HydrophobicContact CB-CB 4.22Å; H50-L79 PolarHBondContact CE1-O 3.38Å; H50-L79 VanDerWaalsContact CE1-O 3.22Å
51	C	57.8	Low	65.1	Low	20 Å²	20	65.6 Å²	65.6	14%	0.135	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.3	-1.3	-177	69.8	0	0	0	0	114.6	C48 D53 H73 R156	C48-C51 VanDerWaalsContact CB-SG 3.59Å; C48-C51 PolarHBondContact O-N 3.33Å; C48-C51 PolarHBondContact SG-N 3Å; C48-C51 VanDerWaalsContact SG-N 3.43Å; C51-D53 PolarHBondContact O-N 2.8Å; C51-H73 PolarHBondContact SG-CE1 3.39Å; C51-H73 PolarHBondContact SG-ND1 2.98Å; C51-R156 PolarHBondContact O-NH1 3.44Å
52	T	57.8	Low	65.5	Low	49 Å²	49	60.2 Å²	60.2	30%	0.301	30%	0.301	S	S	.	.			trans	50.3	12.1	-173.9	77.8	0	0	0	0	116.3	F47 C48 R156	F47-T52 VanDerWaalsContact CD1-O 3.3Å; F47-T52 WeakPolarHBondContact CD1-O 3.45Å; C48-T52 WeakPolarHBondContact O-CA 3.38Å; C48-T52 PolarHBondContact O-N 3.38Å; T52-R156 VanDerWaalsContact OG1-CZ 3.24Å; T52-R156 PolarHBondContact OG1-NH1 3.08Å; T52-R156 PolarHBondContact OG1-NH2 2.95Å
53	D	56.2	Low	66.3	Low	75 Å²	75	59.9 Å²	59.9	40%	0.401	30%	0.299	S	S	.	.			trans	-81	155.2	172.7	-61.8	-29.5	0	0	0	110.5	F47 C48 C51 I55 H73	F47-D53 WeakPolarHBondContact CA-O 3.41Å; C48-D53 PolarHBondContact N-O 2.75Å; C51-D53 PolarHBondContact O-N 2.8Å; D53-I55 PolarHBondContact O-N 2.9Å; D53-H73 PolarHBondContact O-CE1 3.39Å
54	F	62.6	Low	68.1	Low	91 Å²	91	55.8 Å²	55.8	40%	0.399	28%	0.282	S	S	.	.	B	Isolated β-bridge	trans	-61.3	133.7	178.4	-178.4	-131.4	0	0	0	111.3	P45 T46 F47 W56 H73	P45-F54 HydrophobicContact CB-CE2 3.88Å; P45-F54 HydrophobicContact CB-CZ 4.5Å; T46-F54 WeakPolarHBondContact O-CD2 3.48Å; F47-F54 HydrophobicContact CD1-CB 4.06Å; F47-F54 HydrophobicContact CE1-CB 3.76Å; F47-F54 HydrophobicContact CE1-CD2 4.38Å; F47-F54 HydrophobicContact CE1-CG 4.47Å; F47-F54 HydrophobicContact CZ-CB 4.43Å; F47-F54 HydrophobicContact CZ-CD2 4.35Å; F54-W56 HydrophobicContact CD1-CB 3.86Å; F54-W56 HydrophobicContact CD1-CG 4.46Å; F54-W56 HydrophobicContact CE1-CB 3.72Å; F54-W56 HydrophobicContact CZ-CB 4.48Å; F54-H73 PolarHBondContact O-NE2 2.77Å
55	I	67.6	Low	69.3	Low	2 Å²	2	54.2 Å²	54.2	1%	0.01	28%	0.275	C	S	.	.			trans	-89.3	106.6	175.7	-63.4	171.1	0	0	0	108.8	F42 T46 C48 D53 Q61 V71	F42-I55 HydrophobicContact CD2-CG2 4.11Å; F42-I55 HydrophobicContact CE2-CD1 4.44Å; F42-I55 HydrophobicContact CE2-CG2 4.28Å; T46-I55 HydrophobicContact CG2-CD1 4.43Å; T46-I55 WeakPolarHBondContact O-CB 3.35Å; T46-I55 PolarHBondContact O-N 2.78Å; C48-I55 HydrophobicContact CB-CD1 3.95Å; C48-I55 HydrophobicContact CB-CG1 3.85Å; D53-I55 PolarHBondContact O-N 2.9Å; I55-Q61 HydrophobicContact CG2-CB 3.58Å; I55-V71 HydrophobicContact CD1-CG1 3.32Å
56	W	62.6	Low	70.3	Confident	192 Å²	192	56 Å²	56	73%	0.727	28%	0.277	S	S	*	.			trans	-127.2	159.8	-177.4	68.3	-82.9	0	0	0	112.5	F54	F54-W56 HydrophobicContact CD1-CB 3.86Å; F54-W56 HydrophobicContact CD1-CG 4.46Å; F54-W56 HydrophobicContact CE1-CB 3.72Å; F54-W56 HydrophobicContact CZ-CB 4.48Å
57	G	52.8	Low	70.8	Confident	37 Å²	37	58.5 Å²	58.5	38%	0.381	29%	0.292	S	S	.	.			trans	143.3	166.6	179.1	0	0	0	0	0	114.1	Q61	G57-Q61 WeakPolarHBondContact O-CG 3.47Å
58	F	43.5	Very low	70.9	Confident	220 Å²	220	55.4 Å²	55.4	97%	0.965	28%	0.279	S	S	*	.	S	Bend	trans	-79.8	129.8	177.7	-66.2	-81.1	0	0	0	111.8
59	G	68.3	Low	71.6	Confident	39 Å²	39	58 Å²	58	40%	0.402	30%	0.296	S	S	.	.	S	Bend	trans	76.8	-141	-179	0	0	0	0	0	112.5	F41 Q61	F41-G59 WeakPolarHBondContact CD2-O 3.41Å; F41-G59 WeakPolarHBondContact CE2-O 3.49Å; G59-Q61 WeakPolarHBondContact O-CG 3.37Å; G59-Q61 PolarHBondContact O-N 3.18Å
60	K	73.5	Confident	72	Confident	96 Å²	96	57.5 Å²	57.5	42%	0.417	29%	0.292	S	S	.	.	S	Bend	trans	-66.3	100.5	-178.1	-65.1	176	170.5	-158.2	0	110.1	A39 R40 K74	A39-K60 HydrophobicContact CB-CB 4.1Å; A39-K60 HydrophobicContact CB-CD 3.57Å; A39-K60 HydrophobicContact CB-CG 4.44Å; A39-K60 WeakPolarHBondContact O-CD 3.49Å; A39-K60 WeakPolarHBondContact O-CE 3.36Å; A39-K60 PolarHBondContact O-NZ 3.35Å; A39-K60 VanDerWaalsContact O-NZ 3.13Å; R40-K60 CarbonylContact O-C 3.5Å; R40-K60 VanDerWaalsContact O-C 3.22Å; R40-K60 WeakPolarHBondContact O-CA 3.1Å; R40-K60 WeakPolarHBondContact O-CB 3.24Å; K60-K74 WeakPolarHBondContact O-CE 3.47Å; K60-K74 PolarHBondContact O-NZ 3.47Å
61	Q	74.5	Confident	72.7	Confident	38 Å²	38	54.5 Å²	54.5	18%	0.178	28%	0.278	C	S	.	.			trans	-74.6	-29.1	-169.2	-57.6	122.9	-34.7	0	0	113.5	R40 F42 I55 G57 G59	R40-Q61 PolarHBondContact O-N 2.74Å; R40-Q61 VanDerWaalsContact O-N 3.07Å; F42-Q61 HydrophobicContact CD2-CB 4.46Å; F42-Q61 PolarHBondContact O-NE2 3.38Å; F42-Q61 PolarHBondContact O-OE1 2.93Å; I55-Q61 HydrophobicContact CG2-CB 3.58Å; G57-Q61 WeakPolarHBondContact O-CG 3.47Å; G59-Q61 WeakPolarHBondContact O-CG 3.37Å; G59-Q61 PolarHBondContact O-N 3.18Å
62	G	84.8	Confident	73.8	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	-169	-177.2	0	0	0	0	0	114.1	A39 R40	A39-G62 WeakPolarHBondContact CA-O 3.5Å; R40-G62 PolarHBondContact N-O 3.16Å
63	F	90.7	Very high	74.6	Confident	14 Å²	14	51.8 Å²	51.8	6%	0.061	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	139.9	179.1	-75	-47	0	0	0	110.8	H30 F37 I38 A39 V71 V72 K74 H77	H30-F63 AromaticContact CD2-CE1 3.7Å; H30-F63 AromaticContact CD2-CZ 3.61Å; H30-F63 AromaticContact NE2-CE1 3.97Å; H30-F63 AromaticContact NE2-CZ 3.63Å; F37-F63 HydrophobicContact CB-CB 4.03Å; F37-F63 HydrophobicContact CB-CG 4.26Å; F37-F63 HydrophobicContact CD1-CB 3.99Å; F37-F63 HydrophobicContact CG-CB 4.25Å; I38-F63 WeakPolarHBondContact O-CA 3.39Å; A39-F63 VanDerWaalsContact CA-CD1 3.48Å; A39-F63 HydrophobicContact CB-CD1 3.95Å; A39-F63 HydrophobicContact CB-CE1 3.67Å; F63-V71 WeakPolarHBondContact O-CA 3.21Å; F63-V72 HydrophobicContact CB-CG2 4Å; F63-V72 PolarHBondContact N-O 2.98Å; F63-V72 PolarHBondContact O-N 3.16Å; F63-K74 HydrophobicContact CD2-CB 4.25Å; F63-K74 HydrophobicContact CD2-CG 4.15Å; F63-K74 HydrophobicContact CE2-CB 3.99Å; F63-K74 HydrophobicContact CE2-CG 3.97Å; F63-K74 HydrophobicContact CZ-CG 4.25Å; F63-H77 HydrophobicContact CB-CB 4.43Å; F63-H77 HydrophobicContact CD2-CB 3.68Å; F63-H77 AromaticContact CD2-CD2 3.84Å; F63-H77 AromaticContact CD2-CG 3.41Å; F63-H77 VanDerWaalsContact CD2-CG 3.41Å; F63-H77 AromaticContact CD2-ND1 3.6Å; F63-H77 HydrophobicContact CE2-CB 4.43Å; F63-H77 AromaticContact CE2-CD2 3.82Å; F63-H77 AromaticContact CE2-CE1 3.56Å; F63-H77 AromaticContact CE2-CG 3.68Å; F63-H77 AromaticContact CE2-ND1 3.5Å; F63-H77 AromaticContact CE2-NE2 3.71Å; F63-H77 HydrophobicContact CG-CB 4.45Å
64	Q	90	Very high	75.8	Confident	45 Å²	45	53 Å²	53	21%	0.21	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	131.4	171.9	-174.7	179.8	28.1	0	0	109.1	I38 R40 F42 Q66 F70 V71	I38-Q64 WeakPolarHBondContact CG1-O 3.23Å; I38-Q64 PolarHBondContact N-O 3.39Å; I38-Q64 PolarHBondContact O-N 3.25Å; R40-Q64 HydrophobicContact CB-CB 4.35Å; R40-Q64 HydrophobicContact CG-CB 3.85Å; F42-Q64 HydrophobicContact CE1-CB 4.31Å; F42-Q64 HydrophobicContact CZ-CB 4.14Å; Q64-Q66 PolarHBondContact O-N 3.1Å; Q64-F70 WeakPolarHBondContact CA-O 3.49Å; Q64-V71 HydrophobicContact CB-CG2 4.07Å; Q64-V71 HydrophobicContact CG-CG2 3.74Å
65	C	87.5	Confident	76.5	Confident	1 Å²	1	55.1 Å²	55.1	1%	0.007	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	127.9	172.6	-175.4	0	0	0	0	109.6	H35 K36 F37 V67 C68 C69 F70	H35-C65 HydrophobicContact CB-CB 4.33Å; H35-C65 PolarHBondContact ND1-SG 2.94Å; H35-C65 VanDerWaalsContact ND1-SG 3.4Å; K36-C65 WeakPolarHBondContact O-CA 3.35Å; F37-C65 HydrophobicContact CD1-CB 4.01Å; F37-C65 HydrophobicContact CE1-CB 3.81Å; F37-C65 HydrophobicContact CZ-CB 4.47Å; C65-V67 PolarHBondContact O-N 2.88Å; C65-C68 VanDerWaalsContact SG-SG 3.62Å; C65-C69 VanDerWaalsContact O-CA 3.27Å; C65-C69 WeakPolarHBondContact O-CA 3.45Å; C65-C69 PolarHBondContact O-N 3.24Å; C65-C69 VanDerWaalsContact O-N 3.14Å; C65-F70 HydrophobicContact CB-CB 4.2Å; C65-F70 PolarHBondContact N-O 2.85Å
66	Q	84.8	Confident	76.6	Confident	107 Å²	107	55.3 Å²	55.3	50%	0.5	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-14.7	179.1	-64.3	-171.7	-80.5	0	0	114	K36 I38 Q64	K36-Q66 PolarHBondContact O-N 3.49Å; I38-Q66 HydrophobicContact CB-CG 4.29Å; I38-Q66 HydrophobicContact CD1-CG 3.68Å; I38-Q66 HydrophobicContact CG1-CG 3.63Å; I38-Q66 VanDerWaalsContact CG2-CD 3.47Å; I38-Q66 HydrophobicContact CG2-CG 3.73Å; Q64-Q66 PolarHBondContact O-N 3.1Å
67	V	80.8	Confident	77.3	Confident	53 Å²	53	46.6 Å²	46.6	32%	0.321	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-58.6	-171.2	-178.1	0	0	0	0	110.7	K36 C65 G86	K36-V67 HydrophobicContact CB-CG2 4.47Å; K36-V67 HydrophobicContact CD-CG2 4.45Å; C65-V67 PolarHBondContact O-N 2.88Å; V67-G86 WeakPolarHBondContact CG1-O 3.46Å
68	C	75.2	Confident	78.5	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	2.1	-176.3	65.8	0	0	0	0	113.7	H35 C65 F70 C84 H115 N144	H35-C68 PolarHBondContact CE1-SG 3.32Å; H35-C68 PolarHBondContact ND1-SG 2.69Å; C65-C68 VanDerWaalsContact SG-SG 3.62Å; C68-F70 PolarHBondContact O-N 2.91Å; C68-F70 VanDerWaalsContact SG-CB 3.53Å; C68-C84 VanDerWaalsContact SG-SG 3.65Å; C68-H115 PolarHBondContact O-NE2 2.83Å; C68-N144 HydrophobicContact CB-CB 4.13Å
69	C	84.9	Confident	79.8	Confident	55 Å²	55	44.4 Å²	44.4	37%	0.372	22%	0.22	S	C	.	.			trans	62.9	12.8	-176.3	-59.8	0	0	0	0	115.6	C65 V71	C65-C69 VanDerWaalsContact O-CA 3.27Å; C65-C69 WeakPolarHBondContact O-CA 3.45Å; C65-C69 PolarHBondContact O-N 3.24Å; C65-C69 VanDerWaalsContact O-N 3.14Å; C69-V71 WeakPolarHBondContact O-CG2 3.48Å; C69-V71 PolarHBondContact O-N 2.7Å
70	F	85.1	Confident	79.8	Confident	9 Å²	9	42.7 Å²	42.7	4%	0.039	20%	0.202	C	C	.	.			trans	-60	126.5	176.5	-165.3	-114.5	0	0	0	111.2	F37 Q64 C65 C68 V72 V80 F82 H115	F37-F70 HydrophobicContact CE1-CD1 4.31Å; F37-F70 HydrophobicContact CZ-CD1 4.11Å; Q64-F70 WeakPolarHBondContact CA-O 3.49Å; C65-F70 HydrophobicContact CB-CB 4.2Å; C65-F70 PolarHBondContact N-O 2.85Å; C68-F70 PolarHBondContact O-N 2.91Å; C68-F70 VanDerWaalsContact SG-CB 3.53Å; F70-V72 HydrophobicContact CD1-CG1 3.78Å; F70-V72 HydrophobicContact CE1-CG1 3.47Å; F70-V72 VanDerWaalsContact CE1-CG1 3.47Å; F70-V72 HydrophobicContact CZ-CG1 4.32Å; F70-V80 HydrophobicContact CD1-CG2 4.35Å; F70-V80 HydrophobicContact CE1-CG1 4.17Å; F70-V80 HydrophobicContact CE1-CG2 3.84Å; F70-F82 HydrophobicContact CD1-CZ 4.2Å; F70-F82 HydrophobicContact CD2-CZ 4.1Å; F70-F82 HydrophobicContact CE1-CE1 4.17Å; F70-F82 AromaticContact CE1-CZ 3.87Å; F70-F82 HydrophobicContact CE1-CZ 3.87Å; F70-F82 HydrophobicContact CE2-CE1 4.31Å; F70-F82 AromaticContact CE2-CZ 3.74Å; F70-F82 HydrophobicContact CE2-CZ 3.74Å; F70-F82 HydrophobicContact CG-CZ 4.32Å; F70-F82 AromaticContact CZ-CE1 3.85Å; F70-F82 HydrophobicContact CZ-CE1 3.85Å; F70-F82 AromaticContact CZ-CZ 3.63Å; F70-F82 HydrophobicContact CZ-CZ 3.63Å; F70-H115 WeakPolarHBondContact CA-O 3.43Å; F70-H115 AromaticContact CD2-CE1 3.76Å; F70-H115 AromaticContact CD2-ND1 3.63Å; F70-H115 WeakPolarHBondContact CD2-O 3.16Å
71	V	85.4	Confident	79.6	Confident	1 Å²	1	42.2 Å²	42.2	1%	0.006	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	131.8	-173.3	169.6	0	0	0	0	111.3	F42 T46 S49 I55 F63 Q64 C69 C116	F42-V71 HydrophobicContact CE1-CG1 3.91Å; F42-V71 HydrophobicContact CE1-CG2 3.79Å; F42-V71 HydrophobicContact CE2-CG1 4.15Å; F42-V71 HydrophobicContact CZ-CB 4.43Å; F42-V71 HydrophobicContact CZ-CG1 3.55Å; F42-V71 HydrophobicContact CZ-CG2 4Å; T46-V71 HydrophobicContact CG2-CB 4.5Å; T46-V71 HydrophobicContact CG2-CG1 3.7Å; S49-V71 WeakPolarHBondContact CB-O 3.33Å; S49-V71 PolarHBondContact N-O 2.8Å; S49-V71 PolarHBondContact OG-O 3.31Å; I55-V71 HydrophobicContact CD1-CG1 3.32Å; F63-V71 WeakPolarHBondContact O-CA 3.21Å; Q64-V71 HydrophobicContact CB-CG2 4.07Å; Q64-V71 HydrophobicContact CG-CG2 3.74Å; C69-V71 WeakPolarHBondContact O-CG2 3.48Å; C69-V71 PolarHBondContact O-N 2.7Å; V71-C116 WeakPolarHBondContact CB-O 3.1Å; V71-C116 WeakPolarHBondContact CG2-O 3.35Å
72	V	81.1	Confident	79.3	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	156.7	-177.7	-67.2	0	0	0	0	112.3	F37 C48 H50 F63 F70 C76 H77 V80	F37-V72 HydrophobicContact CD1-CG2 4.03Å; F37-V72 HydrophobicContact CE1-CG2 3.64Å; F37-V72 HydrophobicContact CZ-CG2 4.03Å; C48-V72 VanDerWaalsContact SG-CA 3.51Å; H50-V72 HydrophobicContact CB-CG1 3.83Å; F63-V72 HydrophobicContact CB-CG2 4Å; F63-V72 PolarHBondContact N-O 2.98Å; F63-V72 PolarHBondContact O-N 3.16Å; F70-V72 HydrophobicContact CD1-CG1 3.78Å; F70-V72 HydrophobicContact CE1-CG1 3.47Å; F70-V72 VanDerWaalsContact CE1-CG1 3.47Å; F70-V72 HydrophobicContact CZ-CG1 4.32Å; V72-C76 HydrophobicContact CB-CB 4.09Å; V72-H77 HydrophobicContact CG2-CB 3.57Å; V72-V80 HydrophobicContact CG1-CG2 4.14Å
73	H	75.2	Confident	78.7	Confident	13 Å²	13	44.2 Å²	44.2	6%	0.06	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	158.1	166	-63.8	101.6	0	0	0	110.7	C48 C51 D53 F54 R75 C76 H77	C48-H73 WeakPolarHBondContact CB-CE1 3.39Å; C48-H73 WeakPolarHBondContact CB-ND1 3.1Å; C48-H73 PolarHBondContact SG-N 3.45Å; C48-H73 VanDerWaalsContact SG-N 3.39Å; C51-H73 PolarHBondContact SG-CE1 3.39Å; C51-H73 PolarHBondContact SG-ND1 2.98Å; D53-H73 PolarHBondContact O-CE1 3.39Å; F54-H73 PolarHBondContact O-NE2 2.77Å; H73-R75 HydrophobicContact CB-CG 3.84Å; H73-R75 PolarHBondContact O-N 3.42Å; H73-C76 HydrophobicContact CB-CB 4.11Å; H73-C76 PolarHBondContact O-N 3.17Å; H73-H77 PolarHBondContact O-N 3.33Å
74	K	81.5	Confident	78	Confident	100 Å²	100	43.8 Å²	43.8	44%	0.435	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-34.5	170	-65.2	-179.8	-173.7	163	0	113	K60 F63 H77	K60-K74 WeakPolarHBondContact O-CE 3.47Å; K60-K74 PolarHBondContact O-NZ 3.47Å; F63-K74 HydrophobicContact CD2-CB 4.25Å; F63-K74 HydrophobicContact CD2-CG 4.15Å; F63-K74 HydrophobicContact CE2-CB 3.99Å; F63-K74 HydrophobicContact CE2-CG 3.97Å; F63-K74 HydrophobicContact CZ-CG 4.25Å; K74-H77 PolarHBondContact O-CE1 3.11Å; K74-H77 PolarHBondContact O-ND1 3.14Å
75	R	77.6	Confident	77.1	Confident	135 Å²	135	43.2 Å²	43.2	51%	0.509	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-19.1	175.7	67.1	-174.8	175.4	-162.7	2.8	114.2	H73 E279	H73-R75 HydrophobicContact CB-CG 3.84Å; H73-R75 PolarHBondContact O-N 3.42Å; R75-E279 IonicContact NH1-OE1 3.77Å
76	C	68.8	Low	76.1	Confident	6 Å²	6	44.9 Å²	44.9	4%	0.041	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-15.6	-172.3	-66.5	0	0	0	0	113.6	H50 V72 H73 E78 L79	H50-C76 HydrophobicContact CB-CB 4.22Å; V72-C76 HydrophobicContact CB-CB 4.09Å; H73-C76 HydrophobicContact CB-CB 4.11Å; H73-C76 PolarHBondContact O-N 3.17Å; C76-E78 VanDerWaalsContact C-N 3.3Å; C76-E78 PolarHBondContact O-N 3.31Å; C76-L79 WeakPolarHBondContact O-CB 3.21Å; C76-L79 PolarHBondContact O-N 3.2Å
77	H	77.3	Confident	75.1	Confident	10 Å²	10	41.5 Å²	41.5	5%	0.046	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-64.4	-31.7	-175.4	78.7	-61.5	0	0	0	114.5	H30 V32 F37 F63 V72 H73 K74 L79 V80	H30-H77 AromaticContact CG-NE2 3.87Å; H30-H77 AromaticContact ND1-NE2 3.59Å; V32-H77 WeakPolarHBondContact CG1-O 3.36Å; F37-H77 HydrophobicContact CD2-CB 3.97Å; F37-H77 HydrophobicContact CE2-CB 4.16Å; F37-H77 HydrophobicContact CG-CB 4.25Å; F63-H77 HydrophobicContact CB-CB 4.43Å; F63-H77 HydrophobicContact CD2-CB 3.68Å; F63-H77 AromaticContact CD2-CD2 3.84Å; F63-H77 AromaticContact CD2-CG 3.41Å; F63-H77 VanDerWaalsContact CD2-CG 3.41Å; F63-H77 AromaticContact CD2-ND1 3.6Å; F63-H77 HydrophobicContact CE2-CB 4.43Å; F63-H77 AromaticContact CE2-CD2 3.82Å; F63-H77 AromaticContact CE2-CE1 3.56Å; F63-H77 AromaticContact CE2-CG 3.68Å; F63-H77 AromaticContact CE2-ND1 3.5Å; F63-H77 AromaticContact CE2-NE2 3.71Å; F63-H77 HydrophobicContact CG-CB 4.45Å; V72-H77 HydrophobicContact CG2-CB 3.57Å; H73-H77 PolarHBondContact O-N 3.33Å; K74-H77 PolarHBondContact O-CE1 3.11Å; K74-H77 PolarHBondContact O-ND1 3.14Å; H77-L79 VanDerWaalsContact C-N 3.27Å; H77-V80 WeakPolarHBondContact O-CG2 3.48Å
78	E	77.8	Confident	73.7	Confident	145 Å²	145	45.1 Å²	45.1	68%	0.678	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-75	-18	174.8	-74.7	167.6	-166.1	0	0	112.5	C76 V80	C76-E78 VanDerWaalsContact C-N 3.3Å; C76-E78 PolarHBondContact O-N 3.31Å; E78-V80 VanDerWaalsContact C-N 3.34Å
79	L	70.4	Confident	72.5	Confident	65 Å²	65	55.3 Å²	55.3	34%	0.34	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-90.6	3.9	-178.4	-53.3	178.2	0	0	0	113	H50 C76 H77 T81	H50-L79 PolarHBondContact CE1-O 3.38Å; H50-L79 VanDerWaalsContact CE1-O 3.22Å; C76-L79 WeakPolarHBondContact O-CB 3.21Å; C76-L79 PolarHBondContact O-N 3.2Å; H77-L79 VanDerWaalsContact C-N 3.27Å; L79-T81 PolarHBondContact O-N 2.84Å
80	V	69.5	Low	70.5	Confident	3 Å²	3	54.8 Å²	54.8	2%	0.018	29%	0.294	C	S	.	.			trans	-73.5	115.4	177.5	-179.3	0	0	0	0	108.9	K33 F37 F70 V72 H77 E78 F82	K33-V80 WeakPolarHBondContact CG-O 3.37Å; F37-V80 HydrophobicContact CE2-CG2 4.31Å; F37-V80 HydrophobicContact CZ-CG2 4.06Å; F70-V80 HydrophobicContact CD1-CG2 4.35Å; F70-V80 HydrophobicContact CE1-CG1 4.17Å; F70-V80 HydrophobicContact CE1-CG2 3.84Å; V72-V80 HydrophobicContact CG1-CG2 4.14Å; H77-V80 WeakPolarHBondContact O-CG2 3.48Å; E78-V80 VanDerWaalsContact C-N 3.34Å; V80-F82 HydrophobicContact CG1-CD1 4.03Å; V80-F82 HydrophobicContact CG1-CE1 3.86Å; V80-F82 HydrophobicContact CG1-CG 4.43Å; V80-F82 HydrophobicContact CG1-CZ 4.11Å
81	T	69.4	Low	68	Low	87 Å²	87	59.2 Å²	59.2	53%	0.534	32%	0.323	S	S	.	.			trans	-91.6	-11.1	-170.6	54	0	0	0	0	114.4	L79 P183	L79-T81 PolarHBondContact O-N 2.84Å; T81-P183 HydrophobicContact CG2-CG 4.37Å
82	F	66.9	Low	66.1	Low	33 Å²	33	65.9 Å²	65.9	15%	0.145	36%	0.359	C	S	.	.	S	Bend	trans	-110.9	152.1	-177.8	64.2	-89.7	0	0	0	112	K33 H35 F70 V80 P85 P146 L148	K33-F82 VanDerWaalsContact CB-O 3.28Å; K33-F82 WeakPolarHBondContact CB-O 3.39Å; H35-F82 AromaticContact CE1-CE2 3.78Å; H35-F82 AromaticContact NE2-CD2 3.83Å; H35-F82 AromaticContact NE2-CE2 3.5Å; H35-F82 WeakPolarHBondContact NE2-CE2 3.36Å; F70-F82 HydrophobicContact CD1-CZ 4.2Å; F70-F82 HydrophobicContact CD2-CZ 4.1Å; F70-F82 HydrophobicContact CE1-CE1 4.17Å; F70-F82 AromaticContact CE1-CZ 3.87Å; F70-F82 HydrophobicContact CE1-CZ 3.87Å; F70-F82 HydrophobicContact CE2-CE1 4.31Å; F70-F82 AromaticContact CE2-CZ 3.74Å; F70-F82 HydrophobicContact CE2-CZ 3.74Å; F70-F82 HydrophobicContact CG-CZ 4.32Å; F70-F82 AromaticContact CZ-CE1 3.85Å; F70-F82 HydrophobicContact CZ-CE1 3.85Å; F70-F82 AromaticContact CZ-CZ 3.63Å; F70-F82 HydrophobicContact CZ-CZ 3.63Å; V80-F82 HydrophobicContact CG1-CD1 4.03Å; V80-F82 HydrophobicContact CG1-CE1 3.86Å; V80-F82 HydrophobicContact CG1-CG 4.43Å; V80-F82 HydrophobicContact CG1-CZ 4.11Å; F82-P85 HydrophobicContact CD2-CG 4.39Å; F82-P85 HydrophobicContact CE2-CG 4.25Å; F82-P146 HydrophobicContact CD1-CG 4.28Å; F82-P146 HydrophobicContact CD2-CB 3.74Å; F82-P146 HydrophobicContact CD2-CG 3.95Å; F82-P146 HydrophobicContact CE1-CG 4.1Å; F82-P146 HydrophobicContact CE2-CB 4Å; F82-P146 HydrophobicContact CE2-CG 3.76Å; F82-P146 HydrophobicContact CG-CB 4.07Å; F82-P146 HydrophobicContact CG-CG 4.21Å; F82-P146 HydrophobicContact CZ-CG 3.84Å; F82-L148 HydrophobicContact CB-CD1 4.26Å; F82-L148 HydrophobicContact CD1-CD1 4.18Å; F82-L148 HydrophobicContact CG-CD1 4.37Å
83	S	73.8	Confident	64.3	Low	47 Å²	47	70 Å²	70	33%	0.329	38%	0.384	S	S	.	.			trans	-73.8	145.2	175	-78.7	0	0	0	0	112.1	K33 D34 P85	K33-S83 CarbonylContact O-C 3.54Å; K33-S83 VanDerWaalsContact O-CA 3.22Å; K33-S83 WeakPolarHBondContact O-CA 3.43Å; D34-S83 PolarHBondContact OD2-OG 2.87Å; S83-P85 WeakPolarHBondContact O-CD 3.34Å; S83-P85 VanDerWaalsContact O-N 3.12Å
84	C	75.6	Confident	62.8	Low	4 Å²	4	75.7 Å²	75.7	3%	0.027	42%	0.415	C	S	.	.			trans	-55.2	114.8	-179.6	178.8	0	0	0	0	111.7	K33 D34 H35 C68 G86 A87	K33-C84 PolarHBondContact O-N 3.29Å; D34-C84 VanDerWaalsContact C-CB 3.4Å; D34-C84 HydrophobicContact CB-CB 4.15Å; D34-C84 VanDerWaalsContact O-CB 3.27Å; D34-C84 WeakPolarHBondContact O-CB 3.47Å; H35-C84 HydrophobicContact CB-CB 4.23Å; H35-C84 WeakPolarHBondContact NE2-CA 3.5Å; H35-C84 PolarHBondContact NE2-N 3.27Å; C68-C84 VanDerWaalsContact SG-SG 3.65Å; C84-G86 PolarHBondContact O-N 3.22Å; C84-A87 HydrophobicContact CB-CB 3.74Å; C84-A87 PolarHBondContact O-N 3.31Å
85	P	70.4	Confident	61.2	Low	33 Å²	33	73.3 Å²	73.3	21%	0.214	41%	0.407	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-19.7	-174.5	-26.5	37.6	0	0	0	114.3	F82 S83 N144 P146	F82-P85 HydrophobicContact CD2-CG 4.39Å; F82-P85 HydrophobicContact CE2-CG 4.25Å; S83-P85 WeakPolarHBondContact O-CD 3.34Å; S83-P85 VanDerWaalsContact O-N 3.12Å; P85-N144 WeakPolarHBondContact CG-O 3.47Å; P85-P146 HydrophobicContact CG-CB 4.34Å
86	G	66.3	Low	59.9	Low	37 Å²	37	71.6 Å²	71.6	38%	0.381	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-2.2	178.9	0	0	0	0	0	115.1	V67 C84	V67-G86 WeakPolarHBondContact CG1-O 3.46Å; C84-G86 PolarHBondContact O-N 3.22Å
87	A	63.7	Low	59	Low	36 Å²	36	80.9 Å²	80.9	30%	0.298	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-33.2	-177.3	0	0	0	0	0	112.5	D34 C84	D34-A87 HydrophobicContact CB-CB 3.82Å; D34-A87 WeakPolarHBondContact O-CB 3.35Å; C84-A87 HydrophobicContact CB-CB 3.74Å; C84-A87 PolarHBondContact O-N 3.31Å
88	D	51.1	Low	57.9	Low	128 Å²	128	82.6 Å²	82.6	68%	0.684	46%	0.459	S	S	*	.	S	Bend	trans	-152.6	149.2	168.7	-82.3	-47	0	0	0	107	G90	D88-G90 WeakPolarHBondContact O-CA 3.19Å; D88-G90 PolarHBondContact O-N 3.35Å
89	K	50.3	Low	57.5	Low	214 Å²	214	80.3 Å²	80.3	93%	0.93	45%	0.447	S	S	*	.	S	Bend	trans	-55.6	107.2	169.6	-71.9	-178.8	-180	178.9	0	106.6
90	G	43.7	Very low	57.6	Low	44 Å²	44	78.9 Å²	78.9	45%	0.454	44%	0.438	S	S	.	.			trans	-58.5	170.9	-157.8	0	0	0	0	0	115.5	D88 D92	D88-G90 WeakPolarHBondContact O-CA 3.19Å; D88-G90 PolarHBondContact O-N 3.35Å; G90-D92 PolarHBondContact O-N 3Å
91	P	33.3	Very low	58.2	Low	102 Å²	102	85 Å²	85	66%	0.662	47%	0.465	S	S	*	.			trans	-57.1	131.5	176.5	23.8	-31.4	0	0	0	110.3	T93	P91-T93 PolarHBondContact O-N 3.19Å
92	D	44	Very low	59	Low	141 Å²	141	82.6 Å²	82.6	75%	0.754	45%	0.447	S	S	*	.			trans	-46.9	105.1	174.6	-73.4	-40.7	0	0	0	110.7	G90	G90-D92 PolarHBondContact O-N 3Å
93	T	43.6	Very low	59.8	Low	87 Å²	87	86.9 Å²	86.9	53%	0.534	47%	0.466	S	S	.	.			trans	-117.2	77.1	155.8	47.8	0	0	0	0	106.4	P91 D95	P91-T93 PolarHBondContact O-N 3.19Å; T93-D95 PolarHBondContact O-N 3.48Å
94	D	44	Very low	60.4	Low	132 Å²	132	89.4 Å²	89.4	71%	0.706	47%	0.474	S	S	*	.			trans	-67.3	30.5	174.9	-91.3	-24.6	0	0	0	113.1	P96	D94-P96 WeakPolarHBondContact O-CD 3.39Å
95	D	48	Very low	60.1	Low	51 Å²	51	92.6 Å²	92.6	27%	0.273	49%	0.489	S	S	.	.			trans	-93	106.8	170.5	-159.8	-32.4	0	0	0	109.8	T93 R97 T98	T93-D95 PolarHBondContact O-N 3.48Å; D95-R97 PolarHBondContact O-N 3.24Å; D95-R97 VanDerWaalsContact OD1-CB 3.23Å; D95-R97 WeakPolarHBondContact OD1-CB 3.18Å; D95-R97 WeakPolarHBondContact OD1-CG 3.37Å; D95-R97 IonicContact OD1-CZ 3.2Å; D95-R97 PolarHBondContact OD1-N 2.84Å; D95-R97 IonicContact OD1-NE 3.67Å; D95-R97 PolarHBondContact OD1-NE 3Å; D95-R97 IonicContact OD1-NH2 2.71Å; D95-R97 IonicContact OD2-CZ 3.85Å; D95-R97 IonicContact OD2-NE 3.81Å; D95-R97 PolarHBondContact OD2-NE 3.37Å; D95-R97 IonicContact OD2-NH2 2.82Å; D95-R97 PolarHBondContact OD2-NH2 2.66Å; D95-T98 PolarHBondContact O-N 3.42Å; D95-T98 PolarHBondContact O-OG1 2.92Å
96	P	50.1	Low	60.1	Low	99 Å²	99	93.1 Å²	93.1	64%	0.643	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-7.8	178.1	23.6	-31.5	0	0	0	113.8	D94	D94-P96 WeakPolarHBondContact O-CD 3.39Å
97	R	49.5	Very low	60.1	Low	201 Å²	201	92 Å²	92	76%	0.758	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-22.1	177.3	-63.6	173.8	-73	-172.8	0.6	113.9	D95	D95-R97 PolarHBondContact O-N 3.24Å; D95-R97 VanDerWaalsContact OD1-CB 3.23Å; D95-R97 WeakPolarHBondContact OD1-CB 3.18Å; D95-R97 WeakPolarHBondContact OD1-CG 3.37Å; D95-R97 IonicContact OD1-CZ 3.2Å; D95-R97 PolarHBondContact OD1-N 2.84Å; D95-R97 IonicContact OD1-NE 3.67Å; D95-R97 PolarHBondContact OD1-NE 3Å; D95-R97 IonicContact OD1-NH2 2.71Å; D95-R97 IonicContact OD2-CZ 3.85Å; D95-R97 IonicContact OD2-NE 3.81Å; D95-R97 PolarHBondContact OD2-NE 3.37Å; D95-R97 IonicContact OD2-NH2 2.82Å; D95-R97 PolarHBondContact OD2-NH2 2.66Å
98	T	55.2	Low	59.3	Low	45 Å²	45	92.6 Å²	92.6	28%	0.276	49%	0.485	S	S	.	.	S	Bend	trans	-97.2	0.2	178.8	61	0	0	0	0	112.9	D95 S147 L148 C149	D95-T98 PolarHBondContact O-N 3.42Å; D95-T98 PolarHBondContact O-OG1 2.92Å; T98-S147 WeakPolarHBondContact CB-O 3.45Å; T98-S147 CarbonylContact O-C 3.55Å; T98-S147 WeakPolarHBondContact O-CA 3.35Å; T98-S147 VanDerWaalsContact O-O 3.12Å; T98-S147 PolarHBondContact OG1-O 3.07Å; T98-L148 PolarHBondContact O-N 2.97Å; T98-C149 WeakPolarHBondContact O-CB 3.45Å; T98-C149 PolarHBondContact O-N 3.12Å
99	K	68.9	Low	59.5	Low	98 Å²	98	88.3 Å²	88.3	43%	0.426	47%	0.465	S	S	.	.	S	Bend	trans	-81.7	134.2	177.2	-65.9	-172.4	-179.6	179.3	0	111.2	C149	K99-C149 VanDerWaalsContact C-CB 3.42Å; K99-C149 WeakPolarHBondContact O-CB 3.36Å
100	H	72	Confident	59.9	Low	34 Å²	34	82.8 Å²	82.8	16%	0.157	45%	0.451	C	S	.	.			trans	-68.8	134.8	175.2	-69.1	-90.6	0	0	0	110.8	F102 C133 P146 C149	H100-F102 HydrophobicContact CB-CD2 3.46Å; H100-F102 VanDerWaalsContact CB-CD2 3.46Å; H100-F102 HydrophobicContact CB-CE1 4.45Å; H100-F102 HydrophobicContact CB-CE2 3.14Å; H100-F102 HydrophobicContact CB-CG 4.29Å; H100-F102 HydrophobicContact CB-CZ 3.68Å; H100-F102 AromaticContact CG-CE2 3.64Å; H100-F102 AromaticContact CG-CZ 3.79Å; H100-F102 AromaticContact ND1-CZ 3.93Å; H100-F102 PolarHBondContact O-N 3.38Å; H100-C133 PolarHBondContact CE1-SG 2.89Å; H100-C133 PolarHBondContact ND1-SG 3.21Å; H100-C133 VanDerWaalsContact ND1-SG 3.37Å; H100-P146 PolarHBondContact CD2-O 3.07Å; H100-P146 VanDerWaalsContact CD2-O 3.25Å; H100-P146 PolarHBondContact NE2-O 3.38Å; H100-C149 HydrophobicContact CB-CB 4.24Å; H100-C149 PolarHBondContact NE2-N 3.25Å
101	K	82.9	Confident	61	Low	133 Å²	133	81.8 Å²	81.8	58%	0.578	44%	0.436	S	S	*	.			trans	-100.3	76.9	173.2	-69.5	-178.7	-176.5	174.7	0	108.9	C130 D131	K101-C130 PolarHBondContact N-SG 3.15Å; K101-C130 WeakPolarHBondContact O-CA 3.46Å; K101-D131 HydrophobicContact CB-CB 4.36Å; K101-D131 PolarHBondContact O-N 3.26Å
102	F	86.7	Confident	63.1	Low	35 Å²	35	79.6 Å²	79.6	15%	0.154	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	129.2	-179	-75.9	-66.1	0	0	0	111.7	H100 M128 K129 C130 M135 V137 V142 V145	H100-F102 HydrophobicContact CB-CD2 3.46Å; H100-F102 VanDerWaalsContact CB-CD2 3.46Å; H100-F102 HydrophobicContact CB-CE1 4.45Å; H100-F102 HydrophobicContact CB-CE2 3.14Å; H100-F102 HydrophobicContact CB-CG 4.29Å; H100-F102 HydrophobicContact CB-CZ 3.68Å; H100-F102 AromaticContact CG-CE2 3.64Å; H100-F102 AromaticContact CG-CZ 3.79Å; H100-F102 AromaticContact ND1-CZ 3.93Å; H100-F102 PolarHBondContact O-N 3.38Å; F102-M128 HydrophobicContact CB-CB 4.08Å; F102-M128 HydrophobicContact CB-CE 3.96Å; F102-M128 HydrophobicContact CD1-CB 3.93Å; F102-M128 HydrophobicContact CG-CB 4.26Å; F102-K129 WeakPolarHBondContact CA-O 3.24Å; F102-C130 HydrophobicContact CD1-CB 3.98Å; F102-C130 HydrophobicContact CE1-CB 3.79Å; F102-C130 HydrophobicContact CZ-CB 4.42Å; F102-M135 HydrophobicContact CE1-CB 4.45Å; F102-M135 HydrophobicContact CZ-SD 4.18Å; F102-V137 HydrophobicContact CD1-CG2 3.89Å; F102-V137 HydrophobicContact CE1-CB 4.49Å; F102-V137 HydrophobicContact CE1-CG1 4.34Å; F102-V137 HydrophobicContact CE1-CG2 3.43Å; F102-V137 VanDerWaalsContact CE1-CG2 3.43Å; F102-V137 HydrophobicContact CE2-CG2 4.3Å; F102-V137 HydrophobicContact CZ-CG1 4.27Å; F102-V137 HydrophobicContact CZ-CG2 3.66Å; F102-V142 HydrophobicContact CB-CG1 4.38Å; F102-V142 HydrophobicContact CD2-CG1 3.62Å; F102-V142 HydrophobicContact CD2-CG2 4.43Å; F102-V142 HydrophobicContact CE2-CG1 4.2Å; F102-V142 HydrophobicContact CG-CG1 4.23Å; F102-V142 HydrophobicContact CG-CG2 4.42Å; F102-V145 HydrophobicContact CE2-CB 4.24Å; F102-V145 HydrophobicContact CE2-CG1 4.2Å; F102-V145 HydrophobicContact CE2-CG2 4.22Å; F102-V145 HydrophobicContact CZ-CB 4.44Å; F102-V145 HydrophobicContact CZ-CG1 4.1Å; F102-V145 HydrophobicContact CZ-CG2 4.14Å
103	K	83.6	Confident	64.9	Low	124 Å²	124	73 Å²	73	54%	0.539	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	148.5	167.9	-72.8	-173	-180	150	0	110	H105 M128 K129 D131	K103-H105 PolarHBondContact O-N 3Å; K103-M128 CarbonylContact O-C 3.48Å; K103-M128 VanDerWaalsContact O-CA 3.26Å; K103-M128 WeakPolarHBondContact O-CA 3.4Å; K103-K129 PolarHBondContact N-O 3.47Å; K103-K129 PolarHBondContact O-N 3.44Å; K103-D131 WeakPolarHBondContact CD-OD1 3.29Å; K103-D131 VanDerWaalsContact CD-OD2 3.25Å; K103-D131 WeakPolarHBondContact CD-OD2 3.31Å; K103-D131 WeakPolarHBondContact CE-OD2 3.4Å; K103-D131 IonicContact NZ-OD1 3.31Å; K103-D131 IonicContact NZ-OD2 2.86Å; K103-D131 PolarHBondContact NZ-OD2 3.46Å
104	I	84.6	Confident	66.5	Low	99 Å²	99	71 Å²	71	51%	0.508	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	129.6	170.7	-64.7	170	0	0	0	107.9	H125 M128	I104-H125 HydrophobicContact CG2-CB 3.42Å; I104-H125 VanDerWaalsContact CG2-CB 3.42Å; I104-M128 HydrophobicContact CB-SD 4.16Å; I104-M128 HydrophobicContact CG1-CE 4.12Å; I104-M128 HydrophobicContact CG1-SD 3.45Å; I104-M128 WeakPolarHBondContact CG1-SD 3.29Å
105	H	70.8	Confident	68.3	Low	71 Å²	71	64.8 Å²	64.8	33%	0.329	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	142.6	-176.9	-168.9	68.4	0	0	0	111.2	K103 Y107 H125 Q126 G127 K129	K103-H105 PolarHBondContact O-N 3Å; H105-Y107 HydrophobicContact CB-CE2 4.19Å; H105-Y107 AromaticContact CD2-CD1 3.65Å; H105-Y107 AromaticContact CD2-CE1 3.5Å; H105-Y107 AromaticContact CD2-CG 3.97Å; H105-Y107 AromaticContact CD2-CZ 3.73Å; H105-H125 CarbonylContact O-C 3.53Å; H105-H125 VanDerWaalsContact O-CA 3.31Å; H105-H125 WeakPolarHBondContact O-CA 3.4Å; H105-Q126 PolarHBondContact O-N 3.2Å; H105-G127 PolarHBondContact N-O 3.43Å; H105-K129 HydrophobicContact CB-CB 3.47Å; H105-K129 VanDerWaalsContact CB-CB 3.47Å
106	T	68.9	Low	69.7	Low	45 Å²	45	62.8 Å²	62.8	28%	0.276	32%	0.324	S	S	.	.			trans	-100.7	120.6	171.2	-62.7	0	0	0	0	108.7	I124 H125	T106-I124 HydrophobicContact CG2-CB 4.38Å; T106-I124 HydrophobicContact CG2-CG2 4.21Å; T106-H125 PolarHBondContact OG1-CD2 2.8Å; T106-H125 VanDerWaalsContact OG1-CD2 3.26Å; T106-H125 PolarHBondContact OG1-N 3.1Å
107	Y	68.1	Low	70.4	Confident	14 Å²	14	58.1 Å²	58.1	6%	0.055	29%	0.294	C	S	.	.			trans	-91.1	134.9	-179.4	-61.6	-88.4	0	0	0	110.3	H105 S109 T111 L120 Q126 M128 N136	H105-Y107 HydrophobicContact CB-CE2 4.19Å; H105-Y107 AromaticContact CD2-CD1 3.65Å; H105-Y107 AromaticContact CD2-CE1 3.5Å; H105-Y107 AromaticContact CD2-CG 3.97Å; H105-Y107 AromaticContact CD2-CZ 3.73Å; Y107-S109 VanDerWaalsContact C-N 3.34Å; Y107-T111 WeakPolarHBondContact CB-OG1 3.46Å; Y107-T111 HydrophobicContact CD1-CG2 3.62Å; Y107-T111 WeakPolarHBondContact CD1-OG1 3.33Å; Y107-T111 HydrophobicContact CE1-CG2 3.79Å; Y107-T111 HydrophobicContact CG-CG2 4.22Å; Y107-L120 HydrophobicContact CD2-CD1 3.92Å; Y107-L120 HydrophobicContact CE1-CD1 4.27Å; Y107-L120 HydrophobicContact CE2-CD1 3.43Å; Y107-L120 VanDerWaalsContact CE2-CD1 3.43Å; Y107-Q126 HydrophobicContact CD2-CB 4.07Å; Y107-Q126 PolarHBondContact O-NE2 3.23Å; Y107-Q126 VanDerWaalsContact O-NE2 3.13Å; Y107-M128 PolarHBondContact OH-O 3.26Å; Y107-N136 HydrophobicContact CE1-CB 3.83Å; Y107-N136 VanDerWaalsContact CE1-CG 3.48Å; Y107-N136 WeakPolarHBondContact CE1-OD1 3.13Å; Y107-N136 WeakPolarHBondContact OH-CA 3.36Å; Y107-N136 VanDerWaalsContact OH-CB 3.28Å; Y107-N136 WeakPolarHBondContact OH-CB 3.46Å; Y107-N136 PolarHBondContact OH-OD1 3.26Å; Y107-N136 VanDerWaalsContact OH-OD1 3.11Å
108	G	46.2	Very low	71.6	Confident	47 Å²	47	49.8 Å²	49.8	49%	0.485	27%	0.266	S	S	.	.	S	Bend	trans	-83.1	-7.2	179.3	0	0	0	0	0	114.6
109	S	55	Low	72.6	Confident	38 Å²	38	49.6 Å²	49.6	27%	0.266	26%	0.264	S	S	.	.	S	Bend	trans	-142.2	159.5	179	66	0	0	0	0	110.7	Y107 T111	Y107-S109 VanDerWaalsContact C-N 3.34Å; S109-T111 PolarHBondContact O-N 2.93Å; S109-T111 PolarHBondContact O-OG1 3.35Å
110	P	59.3	Low	72.8	Confident	99 Å²	99	45.3 Å²	45.3	64%	0.643	25%	0.245	S	C	*	.			trans	-50.8	108.2	171	-27.1	35.4	0	0	0	110.6	L119	P110-L119 HydrophobicContact CB-CD1 3.84Å
111	T	66.9	Low	72.5	Confident	23 Å²	23	45.5 Å²	45.5	14%	0.141	25%	0.245	C	C	.	.			trans	-118	136.5	-173.7	-57.9	0	0	0	0	108.5	Y107 S109 L119 L120 N136	Y107-T111 WeakPolarHBondContact CB-OG1 3.46Å; Y107-T111 HydrophobicContact CD1-CG2 3.62Å; Y107-T111 WeakPolarHBondContact CD1-OG1 3.33Å; Y107-T111 HydrophobicContact CE1-CG2 3.79Å; Y107-T111 HydrophobicContact CG-CG2 4.22Å; S109-T111 PolarHBondContact O-N 2.93Å; S109-T111 PolarHBondContact O-OG1 3.35Å; T111-L119 WeakPolarHBondContact O-CD1 3.39Å; T111-L120 HydrophobicContact CG2-CD1 3.94Å; T111-L120 VanDerWaalsContact O-CB 3.24Å; T111-L120 WeakPolarHBondContact O-CB 3.48Å; T111-L120 WeakPolarHBondContact O-CG 3.18Å; T111-L120 PolarHBondContact O-N 3.28Å; T111-N136 HydrophobicContact CG2-CB 4Å
112	F	77.3	Confident	70.9	Confident	56 Å²	56	41.1 Å²	41.1	25%	0.246	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-99.3	147.2	-177.7	-62.6	-96.6	0	0	0	110.3	P45 F47 D114 S118 L119	P45-F112 WeakPolarHBondContact O-CE1 3.35Å; F47-F112 HydrophobicContact CD2-CB 4.25Å; F47-F112 AromaticContact CD2-CD1 3.8Å; F47-F112 HydrophobicContact CD2-CD1 3.8Å; F47-F112 HydrophobicContact CD2-CD2 4.04Å; F47-F112 HydrophobicContact CD2-CE1 4.16Å; F47-F112 HydrophobicContact CD2-CE2 4.39Å; F47-F112 AromaticContact CD2-CG 3.74Å; F47-F112 HydrophobicContact CD2-CG 3.74Å; F47-F112 HydrophobicContact CD2-CZ 4.45Å; F47-F112 AromaticContact CE2-CD1 3.96Å; F47-F112 HydrophobicContact CE2-CD1 3.96Å; F47-F112 AromaticContact CE2-CD2 3.8Å; F47-F112 HydrophobicContact CE2-CD2 3.8Å; F47-F112 AromaticContact CE2-CE1 3.89Å; F47-F112 HydrophobicContact CE2-CE1 3.89Å; F47-F112 AromaticContact CE2-CE2 3.73Å; F47-F112 HydrophobicContact CE2-CE2 3.73Å; F47-F112 AromaticContact CE2-CG 3.93Å; F47-F112 HydrophobicContact CE2-CG 3.93Å; F47-F112 AromaticContact CE2-CZ 3.78Å; F47-F112 HydrophobicContact CE2-CZ 3.78Å; F112-D114 PolarHBondContact O-N 3.43Å; F112-S118 CarbonylContact C-O 3.51Å; F112-S118 WeakPolarHBondContact CA-O 3.42Å; F112-L119 HydrophobicContact CD1-CB 4.15Å; F112-L119 HydrophobicContact CD1-CD1 4.15Å; F112-L119 HydrophobicContact CD2-CD1 4.33Å; F112-L119 HydrophobicContact CE1-CB 4.01Å; F112-L119 HydrophobicContact CE1-CD1 3.83Å; F112-L119 HydrophobicContact CE2-CD1 4.01Å; F112-L119 HydrophobicContact CG-CD1 4.38Å; F112-L119 HydrophobicContact CZ-CD1 3.75Å
113	C	80.7	Confident	68.9	Low	1 Å²	1	40.5 Å²	40.5	1%	0.007	24%	0.236	C	C	.	.			trans	-69.1	119.5	173.8	179	0	0	0	0	109.4	H115 C116 G117 S118 L120 N136 V137 H138	C113-H115 PolarHBondContact O-N 3.17Å; C113-H115 VanDerWaalsContact O-N 3.1Å; C113-C116 WeakPolarHBondContact CB-SG 3.29Å; C113-C116 PolarHBondContact SG-N 3.5Å; C113-C116 PolarHBondContact SG-SG 3.05Å; C113-G117 WeakPolarHBondContact O-CA 3.17Å; C113-G117 PolarHBondContact O-N 2.94Å; C113-S118 WeakPolarHBondContact CB-O 3.18Å; C113-S118 PolarHBondContact N-O 3.36Å; C113-L120 HydrophobicContact CB-CD2 3.79Å; C113-L120 HydrophobicContact CB-CG 4.45Å; C113-N136 CarbonylContact C-O 3.55Å; C113-N136 WeakPolarHBondContact CA-O 3.34Å; C113-V137 VanDerWaalsContact SG-CA 3.59Å; C113-H138 VanDerWaalsContact CB-CE1 3.43Å; C113-H138 WeakPolarHBondContact CB-CE1 3.41Å; C113-H138 VanDerWaalsContact CB-ND1 3.3Å; C113-H138 WeakPolarHBondContact CB-ND1 3.47Å; C113-H138 PolarHBondContact SG-N 2.89Å; C113-H138 VanDerWaalsContact SG-N 3.43Å; C113-H138 PolarHBondContact SG-ND1 3.2Å; C113-H138 VanDerWaalsContact SG-ND1 3.38Å
114	D	78.4	Confident	67.6	Low	47 Å²	47	38.7 Å²	38.7	25%	0.251	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-16.6	178.5	-67.9	-47.3	0	0	0	112.4	S49 F112 M135 N136	S49-D114 WeakPolarHBondContact CA-O 3.32Å; S49-D114 WeakPolarHBondContact CB-O 3.17Å; S49-D114 PolarHBondContact OG-O 3.45Å; F112-D114 PolarHBondContact O-N 3.43Å; D114-M135 HydrophobicContact CB-CE 3.64Å; D114-M135 HydrophobicContact CB-CG 3.78Å; D114-M135 WeakPolarHBondContact OD2-CA 3.36Å; D114-N136 PolarHBondContact N-O 2.96Å; D114-N136 PolarHBondContact OD2-N 2.9Å
115	H	81.2	Confident	66.8	Low	0 Å²	0	38.4 Å²	38.4	0%	0	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-43.1	-178.1	-178.7	73.3	0	0	0	114.7	S49 C68 F70 C113 M135 V137 C141 N144 V145	S49-H115 PolarHBondContact OG-O 3.1Å; C68-H115 PolarHBondContact O-NE2 2.83Å; F70-H115 WeakPolarHBondContact CA-O 3.43Å; F70-H115 AromaticContact CD2-CE1 3.76Å; F70-H115 AromaticContact CD2-ND1 3.63Å; F70-H115 WeakPolarHBondContact CD2-O 3.16Å; C113-H115 PolarHBondContact O-N 3.17Å; C113-H115 VanDerWaalsContact O-N 3.1Å; H115-M135 HydrophobicContact CB-CE 4.4Å; H115-V137 HydrophobicContact CB-CG1 3.97Å; H115-C141 HydrophobicContact CB-CB 4.2Å; H115-N144 PolarHBondContact CE1-O 3.39Å; H115-V145 HydrophobicContact CB-CG2 4.23Å
116	C	77	Confident	67.2	Low	10 Å²	10	36.1 Å²	36.1	7%	0.068	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	-5.7	180	73.3	0	0	0	0	113.3	V71 C113 S118 H138	V71-C116 WeakPolarHBondContact CB-O 3.1Å; V71-C116 WeakPolarHBondContact CG2-O 3.35Å; C113-C116 WeakPolarHBondContact CB-SG 3.29Å; C113-C116 PolarHBondContact SG-N 3.5Å; C113-C116 PolarHBondContact SG-SG 3.05Å; C116-S118 PolarHBondContact O-N 3.36Å; C116-H138 PolarHBondContact SG-CE1 2.68Å; C116-H138 PolarHBondContact SG-ND1 3.26Å
117	G	66.1	Low	68	Low	1 Å²	1	34 Å²	34	1%	0.01	20%	0.204	C	C	.	.			trans	76.3	-8.5	177.3	0	0	0	0	0	115.3	T46 F47 C113	T46-G117 WeakPolarHBondContact CA-O 3.45Å; F47-G117 PolarHBondContact N-O 2.71Å; F47-G117 VanDerWaalsContact N-O 3.11Å; F47-G117 VanDerWaalsContact O-CA 3.23Å; F47-G117 WeakPolarHBondContact O-CA 3.34Å; C113-G117 WeakPolarHBondContact O-CA 3.17Å; C113-G117 PolarHBondContact O-N 2.94Å
118	S	74.6	Confident	69	Low	26 Å²	26	34.7 Å²	34.7	18%	0.182	21%	0.208	C	C	.	.	S	Bend	trans	-86.7	160	-178.3	-56.7	0	0	0	0	112.7	F112 C113 C116	F112-S118 CarbonylContact C-O 3.51Å; F112-S118 WeakPolarHBondContact CA-O 3.42Å; C113-S118 WeakPolarHBondContact CB-O 3.18Å; C113-S118 PolarHBondContact N-O 3.36Å; C116-S118 PolarHBondContact O-N 3.36Å
119	L	74.8	Confident	70.9	Confident	41 Å²	41	35.1 Å²	35.1	22%	0.215	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-61.2	141.3	179.6	-169.1	68.2	0	0	0	112	P110 T111 F112 Y121 H138	P110-L119 HydrophobicContact CB-CD1 3.84Å; T111-L119 WeakPolarHBondContact O-CD1 3.39Å; F112-L119 HydrophobicContact CD1-CB 4.15Å; F112-L119 HydrophobicContact CD1-CD1 4.15Å; F112-L119 HydrophobicContact CD2-CD1 4.33Å; F112-L119 HydrophobicContact CE1-CB 4.01Å; F112-L119 HydrophobicContact CE1-CD1 3.83Å; F112-L119 HydrophobicContact CE2-CD1 4.01Å; F112-L119 HydrophobicContact CG-CD1 4.38Å; F112-L119 HydrophobicContact CZ-CD1 3.75Å; L119-Y121 HydrophobicContact CB-CE1 4.3Å; L119-Y121 HydrophobicContact CB-CE2 4.11Å; L119-Y121 HydrophobicContact CD2-CD1 4.24Å; L119-Y121 HydrophobicContact CD2-CE1 3.98Å; L119-Y121 WeakPolarHBondContact O-CD2 3.38Å; L119-Y121 WeakPolarHBondContact O-CE2 3.29Å; L119-Y121 PolarHBondContact O-N 2.77Å; L119-H138 PolarHBondContact O-CE1 3.2Å; L119-H138 PolarHBondContact O-NE2 2.82Å
120	L	74.3	Confident	72.1	Confident	8 Å²	8	33.3 Å²	33.3	4%	0.042	18%	0.183	C	C	.	.			trans	-80.7	95.8	168.6	-61.6	176.9	0	0	0	108.4	Y107 T111 C113 Q126 N136 H138	Y107-L120 HydrophobicContact CD2-CD1 3.92Å; Y107-L120 HydrophobicContact CE1-CD1 4.27Å; Y107-L120 HydrophobicContact CE2-CD1 3.43Å; Y107-L120 VanDerWaalsContact CE2-CD1 3.43Å; T111-L120 HydrophobicContact CG2-CD1 3.94Å; T111-L120 VanDerWaalsContact O-CB 3.24Å; T111-L120 WeakPolarHBondContact O-CB 3.48Å; T111-L120 WeakPolarHBondContact O-CG 3.18Å; T111-L120 PolarHBondContact O-N 3.28Å; C113-L120 HydrophobicContact CB-CD2 3.79Å; C113-L120 HydrophobicContact CB-CG 4.45Å; L120-Q126 HydrophobicContact CB-CB 3.91Å; L120-N136 HydrophobicContact CD1-CB 4.03Å; L120-H138 HydrophobicContact CD2-CB 4.33Å; L120-H138 VanDerWaalsContact CD2-CD2 3.47Å; L120-H138 WeakPolarHBondContact CD2-CD2 3.45Å
121	Y	65.4	Low	73	Confident	38 Å²	38	32.9 Å²	32.9	15%	0.149	18%	0.176	C	C	.	.			trans	-70.3	147.6	-176.4	-65.4	-82.5	0	0	0	113	Q44 L119 Q126	Q44-Y121 PolarHBondContact OE1-OH 2.8Å; L119-Y121 HydrophobicContact CB-CE1 4.3Å; L119-Y121 HydrophobicContact CB-CE2 4.11Å; L119-Y121 HydrophobicContact CD2-CD1 4.24Å; L119-Y121 HydrophobicContact CD2-CE1 3.98Å; L119-Y121 WeakPolarHBondContact O-CD2 3.38Å; L119-Y121 WeakPolarHBondContact O-CE2 3.29Å; L119-Y121 PolarHBondContact O-N 2.77Å; Y121-Q126 WeakPolarHBondContact O-CA 3.38Å; Y121-Q126 WeakPolarHBondContact O-CB 3.4Å; Y121-Q126 WeakPolarHBondContact O-CG 3.05Å
122	G	48.7	Very low	73	Confident	41 Å²	41	35 Å²	35	42%	0.423	19%	0.192	S	C	.	.	S	Bend	trans	113.9	170.9	173.6	0	0	0	0	0	115.5	Q126	G122-Q126 WeakPolarHBondContact O-CG 3.21Å; G122-Q126 PolarHBondContact O-NE2 3.35Å
123	L	45.4	Very low	72.3	Confident	22 Å²	22	33.3 Å²	33.3	12%	0.115	19%	0.187	C	C	.	.	S	Bend	trans	-95	-30.1	-177.5	-56.3	175.4	0	0	0	113.4	Q126 M425 E529	L123-Q126 PolarHBondContact O-NE2 3.16Å; L123-M425 HydrophobicContact CD2-CE 3.33Å; L123-M425 HydrophobicContact CD2-SD 3.54Å; L123-M425 VanDerWaalsContact CD2-SD 3.54Å; L123-E529 HydrophobicContact CD1-CG 4.39Å
124	I	54.9	Low	71.8	Confident	86 Å²	86	37.9 Å²	37.9	44%	0.441	21%	0.211	S	C	.	.	S	Bend	trans	-139.1	147.4	179.3	57.1	170.7	0	0	0	109.5	T106 Q126	T106-I124 HydrophobicContact CG2-CB 4.38Å; T106-I124 HydrophobicContact CG2-CG2 4.21Å; I124-Q126 PolarHBondContact O-N 3.44Å; I124-Q126 VanDerWaalsContact O-N 3.1Å
125	H	68.9	Low	71.8	Confident	92 Å²	92	36.6 Å²	36.6	43%	0.426	20%	0.204	S	C	.	.	S	Bend	trans	53.1	35.4	174.9	-56.6	161.1	0	0	0	112.9	I104 H105 T106 G127 K139	I104-H125 HydrophobicContact CG2-CB 3.42Å; I104-H125 VanDerWaalsContact CG2-CB 3.42Å; H105-H125 CarbonylContact O-C 3.53Å; H105-H125 VanDerWaalsContact O-CA 3.31Å; H105-H125 WeakPolarHBondContact O-CA 3.4Å; T106-H125 PolarHBondContact OG1-CD2 2.8Å; T106-H125 VanDerWaalsContact OG1-CD2 3.26Å; T106-H125 PolarHBondContact OG1-N 3.1Å; H125-G127 PolarHBondContact O-N 3.26Å; H125-G127 VanDerWaalsContact O-N 3.15Å; H125-K139 WeakPolarHBondContact O-CE 2.99Å; H125-K139 PolarHBondContact O-NZ 3.42Å
126	Q	80	Confident	72	Confident	24 Å²	24	38 Å²	38	11%	0.112	21%	0.211	C	C	.	.			trans	-58.8	-29.2	-173.9	-59.6	92.7	-26.5	0	0	112.1	H105 Y107 L120 Y121 G122 L123 I124	H105-Q126 PolarHBondContact O-N 3.2Å; Y107-Q126 HydrophobicContact CD2-CB 4.07Å; Y107-Q126 PolarHBondContact O-NE2 3.23Å; Y107-Q126 VanDerWaalsContact O-NE2 3.13Å; L120-Q126 HydrophobicContact CB-CB 3.91Å; Y121-Q126 WeakPolarHBondContact O-CA 3.38Å; Y121-Q126 WeakPolarHBondContact O-CB 3.4Å; Y121-Q126 WeakPolarHBondContact O-CG 3.05Å; G122-Q126 WeakPolarHBondContact O-CG 3.21Å; G122-Q126 PolarHBondContact O-NE2 3.35Å; L123-Q126 PolarHBondContact O-NE2 3.16Å; I124-Q126 PolarHBondContact O-N 3.44Å; I124-Q126 VanDerWaalsContact O-N 3.1Å
127	G	84.3	Confident	72.4	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	-163	-179.6	0	0	0	0	0	112.6	H105 H125 V137	H105-G127 PolarHBondContact N-O 3.43Å; H125-G127 PolarHBondContact O-N 3.26Å; H125-G127 VanDerWaalsContact O-N 3.15Å; G127-V137 CarbonylContact C-O 3.22Å; G127-V137 WeakPolarHBondContact CA-O 3.43Å
128	M	89.3	Confident	73.2	Confident	28 Å²	28	38.7 Å²	38.7	14%	0.138	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	133.9	-178.8	-57.6	-68.9	-70.1	0	0	107.7	F102 K103 I104 Y107 N136 V137 K139 V142	F102-M128 HydrophobicContact CB-CB 4.08Å; F102-M128 HydrophobicContact CB-CE 3.96Å; F102-M128 HydrophobicContact CD1-CB 3.93Å; F102-M128 HydrophobicContact CG-CB 4.26Å; K103-M128 CarbonylContact O-C 3.48Å; K103-M128 VanDerWaalsContact O-CA 3.26Å; K103-M128 WeakPolarHBondContact O-CA 3.4Å; I104-M128 HydrophobicContact CB-SD 4.16Å; I104-M128 HydrophobicContact CG1-CE 4.12Å; I104-M128 HydrophobicContact CG1-SD 3.45Å; I104-M128 WeakPolarHBondContact CG1-SD 3.29Å; Y107-M128 PolarHBondContact OH-O 3.26Å; M128-N136 WeakPolarHBondContact O-CA 3.31Å; M128-V137 HydrophobicContact CB-CG2 4.06Å; M128-V137 PolarHBondContact N-O 3.04Å; M128-V137 PolarHBondContact O-N 2.82Å; M128-K139 HydrophobicContact CG-CB 4.35Å; M128-K139 HydrophobicContact CG-CG 3.86Å; M128-K139 HydrophobicContact SD-CG 3.89Å; M128-V142 HydrophobicContact CB-CG2 3.9Å; M128-V142 HydrophobicContact CG-CG2 3.58Å
129	K	86.1	Confident	73.7	Confident	56 Å²	56	42.9 Å²	42.9	24%	0.243	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	133.2	175.7	-172.3	169.5	-175.8	-160	0	109.7	F102 K103 H105 D134 M135 N136	F102-K129 WeakPolarHBondContact CA-O 3.24Å; K103-K129 PolarHBondContact N-O 3.47Å; K103-K129 PolarHBondContact O-N 3.44Å; H105-K129 HydrophobicContact CB-CB 3.47Å; H105-K129 VanDerWaalsContact CB-CB 3.47Å; K129-D134 WeakPolarHBondContact CE-OD1 3.48Å; K129-D134 IonicContact NZ-OD1 3.04Å; K129-D134 PolarHBondContact NZ-OD1 2.95Å; K129-M135 CarbonylContact C-O 3.56Å; K129-M135 WeakPolarHBondContact CA-O 3.49Å; K129-N136 WeakPolarHBondContact CG-OD1 3.46Å
130	C	80.9	Confident	73.9	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	122.7	174.7	-174.5	0	0	0	0	110	K101 F102 S132 D134 M135 C149	K101-C130 PolarHBondContact N-SG 3.15Å; K101-C130 WeakPolarHBondContact O-CA 3.46Å; F102-C130 HydrophobicContact CD1-CB 3.98Å; F102-C130 HydrophobicContact CE1-CB 3.79Å; F102-C130 HydrophobicContact CZ-CB 4.42Å; C130-S132 PolarHBondContact O-N 3.09Å; C130-S132 VanDerWaalsContact O-N 3.16Å; C130-D134 WeakPolarHBondContact O-CA 3.48Å; C130-D134 PolarHBondContact O-N 2.82Å; C130-M135 HydrophobicContact CB-CB 4.17Å; C130-M135 PolarHBondContact N-O 3.37Å; C130-C149 PolarHBondContact SG-SG 3.42Å
131	D	76.9	Confident	74.3	Confident	90 Å²	90	46.7 Å²	46.7	48%	0.481	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-21.8	177.8	-78.2	-15.1	0	0	0	113.7	K101 K103	K101-D131 HydrophobicContact CB-CB 4.36Å; K101-D131 PolarHBondContact O-N 3.26Å; K103-D131 WeakPolarHBondContact CD-OD1 3.29Å; K103-D131 VanDerWaalsContact CD-OD2 3.25Å; K103-D131 WeakPolarHBondContact CD-OD2 3.31Å; K103-D131 WeakPolarHBondContact CE-OD2 3.4Å; K103-D131 IonicContact NZ-OD1 3.31Å; K103-D131 IonicContact NZ-OD2 2.86Å; K103-D131 PolarHBondContact NZ-OD2 3.46Å
132	S	67.9	Low	75.1	Confident	68 Å²	68	46.1 Å²	46.1	48%	0.476	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-32.9	-172.5	-52	0	0	0	0	114	C130 C149	C130-S132 PolarHBondContact O-N 3.09Å; C130-S132 VanDerWaalsContact O-N 3.16Å; S132-C149 WeakPolarHBondContact CB-SG 3.4Å
133	C	61.7	Low	76.5	Confident	21 Å²	21	51.3 Å²	51.3	14%	0.142	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-132.8	9.4	-172.1	72.4	0	0	0	0	113.5	H100 M135	H100-C133 PolarHBondContact CE1-SG 2.89Å; H100-C133 PolarHBondContact ND1-SG 3.21Å; H100-C133 VanDerWaalsContact ND1-SG 3.37Å; C133-M135 PolarHBondContact O-N 3.12Å
134	D	71.6	Confident	78	Confident	97 Å²	97	52.4 Å²	52.4	52%	0.519	27%	0.267	S	S	.	.			trans	56.5	14.5	179.1	-68.2	-54.5	0	0	0	115.8	K129 C130 N136	K129-D134 WeakPolarHBondContact CE-OD1 3.48Å; K129-D134 IonicContact NZ-OD1 3.04Å; K129-D134 PolarHBondContact NZ-OD1 2.95Å; C130-D134 WeakPolarHBondContact O-CA 3.48Å; C130-D134 PolarHBondContact O-N 2.82Å; D134-N136 VanDerWaalsContact O-CG 3.27Å; D134-N136 PolarHBondContact O-N 2.77Å; D134-N136 PolarHBondContact O-ND2 3.38Å; D134-N136 PolarHBondContact O-OD1 3.41Å
135	M	78.8	Confident	78.8	Confident	20 Å²	20	48.9 Å²	48.9	10%	0.099	25%	0.249	C	C	.	.			trans	-63.4	134	175.8	-171.8	-176.1	-170.7	0	0	110.7	F102 D114 H115 K129 C130 C133 V137 V145	F102-M135 HydrophobicContact CE1-CB 4.45Å; F102-M135 HydrophobicContact CZ-SD 4.18Å; D114-M135 HydrophobicContact CB-CE 3.64Å; D114-M135 HydrophobicContact CB-CG 3.78Å; D114-M135 WeakPolarHBondContact OD2-CA 3.36Å; H115-M135 HydrophobicContact CB-CE 4.4Å; K129-M135 CarbonylContact C-O 3.56Å; K129-M135 WeakPolarHBondContact CA-O 3.49Å; C130-M135 HydrophobicContact CB-CB 4.17Å; C130-M135 PolarHBondContact N-O 3.37Å; C133-M135 PolarHBondContact O-N 3.12Å; M135-V137 HydrophobicContact CE-CG1 3.79Å; M135-V137 HydrophobicContact CG-CG1 4.07Å; M135-V137 HydrophobicContact SD-CG1 4.2Å; M135-V145 HydrophobicContact CE-CG1 3.86Å; M135-V145 HydrophobicContact CE-CG2 4.5Å; M135-V145 HydrophobicContact SD-CG1 3.69Å
136	N	83.6	Confident	78.9	Confident	29 Å²	29	45.5 Å²	45.5	16%	0.155	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	120.6	-173.6	-51.1	-53.4	0	0	0	109.1	Y107 T111 C113 D114 L120 M128 K129 D134	Y107-N136 HydrophobicContact CE1-CB 3.83Å; Y107-N136 VanDerWaalsContact CE1-CG 3.48Å; Y107-N136 WeakPolarHBondContact CE1-OD1 3.13Å; Y107-N136 WeakPolarHBondContact OH-CA 3.36Å; Y107-N136 VanDerWaalsContact OH-CB 3.28Å; Y107-N136 WeakPolarHBondContact OH-CB 3.46Å; Y107-N136 PolarHBondContact OH-OD1 3.26Å; Y107-N136 VanDerWaalsContact OH-OD1 3.11Å; T111-N136 HydrophobicContact CG2-CB 4Å; C113-N136 CarbonylContact C-O 3.55Å; C113-N136 WeakPolarHBondContact CA-O 3.34Å; D114-N136 PolarHBondContact N-O 2.96Å; D114-N136 PolarHBondContact OD2-N 2.9Å; L120-N136 HydrophobicContact CD1-CB 4.03Å; M128-N136 WeakPolarHBondContact O-CA 3.31Å; K129-N136 WeakPolarHBondContact CG-OD1 3.46Å; D134-N136 VanDerWaalsContact O-CG 3.27Å; D134-N136 PolarHBondContact O-N 2.77Å; D134-N136 PolarHBondContact O-ND2 3.38Å; D134-N136 PolarHBondContact O-OD1 3.41Å
137	V	85.9	Confident	78.3	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	155.2	-177.3	-60.8	0	0	0	0	112	F102 C113 H115 G127 M128 M135 C141 V142 V145	F102-V137 HydrophobicContact CD1-CG2 3.89Å; F102-V137 HydrophobicContact CE1-CB 4.49Å; F102-V137 HydrophobicContact CE1-CG1 4.34Å; F102-V137 HydrophobicContact CE1-CG2 3.43Å; F102-V137 VanDerWaalsContact CE1-CG2 3.43Å; F102-V137 HydrophobicContact CE2-CG2 4.3Å; F102-V137 HydrophobicContact CZ-CG1 4.27Å; F102-V137 HydrophobicContact CZ-CG2 3.66Å; C113-V137 VanDerWaalsContact SG-CA 3.59Å; H115-V137 HydrophobicContact CB-CG1 3.97Å; G127-V137 CarbonylContact C-O 3.22Å; G127-V137 WeakPolarHBondContact CA-O 3.43Å; M128-V137 HydrophobicContact CB-CG2 4.06Å; M128-V137 PolarHBondContact N-O 3.04Å; M128-V137 PolarHBondContact O-N 2.82Å; M135-V137 HydrophobicContact CE-CG1 3.79Å; M135-V137 HydrophobicContact CG-CG1 4.07Å; M135-V137 HydrophobicContact SD-CG1 4.2Å; V137-C141 HydrophobicContact CB-CB 4.15Å; V137-V142 HydrophobicContact CG2-CG2 3.87Å; V137-V145 HydrophobicContact CB-CG2 4.3Å; V137-V145 HydrophobicContact CG1-CG2 3.81Å; V137-V145 HydrophobicContact CG2-CG2 4.21Å
138	H	83.9	Confident	77.4	Confident	25 Å²	25	50.6 Å²	50.6	12%	0.116	27%	0.267	C	S	.	.			trans	-61.9	153	169.4	-62.1	102.3	0	0	0	110.4	C113 C116 L119 L120 Q140 C141 V142	C113-H138 VanDerWaalsContact CB-CE1 3.43Å; C113-H138 WeakPolarHBondContact CB-CE1 3.41Å; C113-H138 VanDerWaalsContact CB-ND1 3.3Å; C113-H138 WeakPolarHBondContact CB-ND1 3.47Å; C113-H138 PolarHBondContact SG-N 2.89Å; C113-H138 VanDerWaalsContact SG-N 3.43Å; C113-H138 PolarHBondContact SG-ND1 3.2Å; C113-H138 VanDerWaalsContact SG-ND1 3.38Å; C116-H138 PolarHBondContact SG-CE1 2.68Å; C116-H138 PolarHBondContact SG-ND1 3.26Å; L119-H138 PolarHBondContact O-CE1 3.2Å; L119-H138 PolarHBondContact O-NE2 2.82Å; L120-H138 HydrophobicContact CD2-CB 4.33Å; L120-H138 VanDerWaalsContact CD2-CD2 3.47Å; L120-H138 WeakPolarHBondContact CD2-CD2 3.45Å; H138-Q140 HydrophobicContact CB-CG 4.01Å; H138-Q140 PolarHBondContact O-N 3.01Å; H138-C141 HydrophobicContact CB-CB 4.15Å; H138-C141 PolarHBondContact O-N 3.24Å; H138-V142 PolarHBondContact O-N 2.85Å
139	K	84.2	Confident	75.9	Confident	114 Å²	114	49.6 Å²	49.6	50%	0.496	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-40.9	174.1	-68.3	172.7	-173.9	155.5	0	112.3	H125 M128 V142	H125-K139 WeakPolarHBondContact O-CE 2.99Å; H125-K139 PolarHBondContact O-NZ 3.42Å; M128-K139 HydrophobicContact CG-CB 4.35Å; M128-K139 HydrophobicContact CG-CG 3.86Å; M128-K139 HydrophobicContact SD-CG 3.89Å; K139-V142 WeakPolarHBondContact O-CG2 3.38Å
140	Q	78.9	Confident	74.3	Confident	121 Å²	121	49.8 Å²	49.8	57%	0.565	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-26.2	177.3	59.1	174.7	-21.8	0	0	114.2	H138 V142	H138-Q140 HydrophobicContact CB-CG 4.01Å; H138-Q140 PolarHBondContact O-N 3.01Å; Q140-V142 VanDerWaalsContact C-N 3.31Å; Q140-V142 PolarHBondContact O-N 2.9Å
141	C	82.4	Confident	73	Confident	9 Å²	9	54.3 Å²	54.3	6%	0.061	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-22.7	179	-68.9	0	0	0	0	112.3	H115 V137 H138 M143 N144 V145	H115-C141 HydrophobicContact CB-CB 4.2Å; V137-C141 HydrophobicContact CB-CB 4.15Å; H138-C141 HydrophobicContact CB-CB 4.15Å; H138-C141 PolarHBondContact O-N 3.24Å; C141-M143 VanDerWaalsContact C-N 3.29Å; C141-M143 PolarHBondContact O-N 2.88Å; C141-N144 CarbonylContact O-C 3.57Å; C141-N144 WeakPolarHBondContact O-CA 3.26Å; C141-N144 WeakPolarHBondContact O-CB 3.49Å; C141-N144 PolarHBondContact O-N 3.46Å; C141-V145 WeakPolarHBondContact O-CG2 3.33Å; C141-V145 PolarHBondContact O-N 2.9Å; C141-V145 VanDerWaalsContact O-N 3.15Å
142	V	83.3	Confident	71.3	Confident	25 Å²	25	54.7 Å²	54.7	15%	0.152	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-48.9	-46.4	-175.9	-179.3	0	0	0	0	113.1	F102 M128 V137 H138 K139 Q140 N144 V145	F102-V142 HydrophobicContact CB-CG1 4.38Å; F102-V142 HydrophobicContact CD2-CG1 3.62Å; F102-V142 HydrophobicContact CD2-CG2 4.43Å; F102-V142 HydrophobicContact CE2-CG1 4.2Å; F102-V142 HydrophobicContact CG-CG1 4.23Å; F102-V142 HydrophobicContact CG-CG2 4.42Å; M128-V142 HydrophobicContact CB-CG2 3.9Å; M128-V142 HydrophobicContact CG-CG2 3.58Å; V137-V142 HydrophobicContact CG2-CG2 3.87Å; H138-V142 PolarHBondContact O-N 2.85Å; K139-V142 WeakPolarHBondContact O-CG2 3.38Å; Q140-V142 VanDerWaalsContact C-N 3.31Å; Q140-V142 PolarHBondContact O-N 2.9Å; V142-N144 PolarHBondContact O-N 3.21Å; V142-V145 PolarHBondContact O-N 3.08Å
143	M	76.9	Confident	70.1	Confident	151 Å²	151	56 Å²	56	74%	0.744	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-70.2	-17.8	-178.3	-61.6	-65.1	87.2	0	0	113.4	C141	C141-M143 VanDerWaalsContact C-N 3.29Å; C141-M143 PolarHBondContact O-N 2.88Å
144	N	77.2	Confident	69.1	Low	45 Å²	45	58.3 Å²	58.3	24%	0.241	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-100.8	-1.8	-179.6	-65.2	-44.5	0	0	0	112.5	C68 P85 H115 C141 V142	C68-N144 HydrophobicContact CB-CB 4.13Å; P85-N144 WeakPolarHBondContact CG-O 3.47Å; H115-N144 PolarHBondContact CE1-O 3.39Å; C141-N144 CarbonylContact O-C 3.57Å; C141-N144 WeakPolarHBondContact O-CA 3.26Å; C141-N144 WeakPolarHBondContact O-CB 3.49Å; C141-N144 PolarHBondContact O-N 3.46Å; V142-N144 PolarHBondContact O-N 3.21Å
145	V	73.3	Confident	68.2	Low	12 Å²	12	54.6 Å²	54.6	7%	0.073	30%	0.302	C	S	.	.	S	Bend	trans	-78.3	130.4	175.3	-177.4	0	0	0	0	109.6	F102 H115 M135 V137 C141 V142	F102-V145 HydrophobicContact CE2-CB 4.24Å; F102-V145 HydrophobicContact CE2-CG1 4.2Å; F102-V145 HydrophobicContact CE2-CG2 4.22Å; F102-V145 HydrophobicContact CZ-CB 4.44Å; F102-V145 HydrophobicContact CZ-CG1 4.1Å; F102-V145 HydrophobicContact CZ-CG2 4.14Å; H115-V145 HydrophobicContact CB-CG2 4.23Å; M135-V145 HydrophobicContact CE-CG1 3.86Å; M135-V145 HydrophobicContact CE-CG2 4.5Å; M135-V145 HydrophobicContact SD-CG1 3.69Å; V137-V145 HydrophobicContact CB-CG2 4.3Å; V137-V145 HydrophobicContact CG1-CG2 3.81Å; V137-V145 HydrophobicContact CG2-CG2 4.21Å; C141-V145 WeakPolarHBondContact O-CG2 3.33Å; C141-V145 PolarHBondContact O-N 2.9Å; C141-V145 VanDerWaalsContact O-N 3.15Å; V142-V145 PolarHBondContact O-N 3.08Å
146	P	69.5	Low	67.2	Low	20 Å²	20	58.4 Å²	58.4	13%	0.13	32%	0.315	C	S	.	.			trans	-64.5	148.9	175.2	29.8	-37	0	0	0	111.5	F82 P85 H100 L148	F82-P146 HydrophobicContact CD1-CG 4.28Å; F82-P146 HydrophobicContact CD2-CB 3.74Å; F82-P146 HydrophobicContact CD2-CG 3.95Å; F82-P146 HydrophobicContact CE1-CG 4.1Å; F82-P146 HydrophobicContact CE2-CB 4Å; F82-P146 HydrophobicContact CE2-CG 3.76Å; F82-P146 HydrophobicContact CG-CB 4.07Å; F82-P146 HydrophobicContact CG-CG 4.21Å; F82-P146 HydrophobicContact CZ-CG 3.84Å; P85-P146 HydrophobicContact CG-CB 4.34Å; H100-P146 PolarHBondContact CD2-O 3.07Å; H100-P146 VanDerWaalsContact CD2-O 3.25Å; H100-P146 PolarHBondContact NE2-O 3.38Å; P146-L148 VanDerWaalsContact C-N 3.26Å; P146-L148 HydrophobicContact CB-CD1 3.95Å; P146-L148 HydrophobicContact CB-CG 4.1Å; P146-L148 HydrophobicContact CG-CD1 4.01Å; P146-L148 HydrophobicContact CG-CG 4.44Å; P146-L148 PolarHBondContact O-N 3.16Å
147	S	68.1	Low	66.7	Low	50 Å²	50	59.9 Å²	59.9	35%	0.35	32%	0.318	S	S	.	.	S	Bend	trans	-79	71.3	177.9	-66	0	0	0	0	111.5	T98	T98-S147 WeakPolarHBondContact CB-O 3.45Å; T98-S147 CarbonylContact O-C 3.55Å; T98-S147 WeakPolarHBondContact O-CA 3.35Å; T98-S147 VanDerWaalsContact O-O 3.12Å; T98-S147 PolarHBondContact OG1-O 3.07Å
148	L	65.1	Low	66.3	Low	82 Å²	82	59.9 Å²	59.9	43%	0.429	32%	0.318	S	S	.	.			trans	-123.9	30	-176.8	-62.4	173.5	0	0	0	113.1	F82 T98 P146 T151	F82-L148 HydrophobicContact CB-CD1 4.26Å; F82-L148 HydrophobicContact CD1-CD1 4.18Å; F82-L148 HydrophobicContact CG-CD1 4.37Å; T98-L148 PolarHBondContact O-N 2.97Å; P146-L148 VanDerWaalsContact C-N 3.26Å; P146-L148 HydrophobicContact CB-CD1 3.95Å; P146-L148 HydrophobicContact CB-CG 4.1Å; P146-L148 HydrophobicContact CG-CD1 4.01Å; P146-L148 HydrophobicContact CG-CG 4.44Å; P146-L148 PolarHBondContact O-N 3.16Å; L148-T151 PolarHBondContact O-OG1 3.16Å
149	C	57.5	Low	66.4	Low	7 Å²	7	59.8 Å²	59.8	5%	0.047	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	134.9	-177.3	-172	0	0	0	0	112.6	T98 K99 H100 C130 S132	T98-C149 WeakPolarHBondContact O-CB 3.45Å; T98-C149 PolarHBondContact O-N 3.12Å; K99-C149 VanDerWaalsContact C-CB 3.42Å; K99-C149 WeakPolarHBondContact O-CB 3.36Å; H100-C149 HydrophobicContact CB-CB 4.24Å; H100-C149 PolarHBondContact NE2-N 3.25Å; C130-C149 PolarHBondContact SG-SG 3.42Å; S132-C149 WeakPolarHBondContact CB-SG 3.4Å
150	G	52.4	Low	66.8	Low	59 Å²	59	54.3 Å²	54.3	61%	0.608	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.9	5.7	178.8	0	0	0	0	0	114.9	D152	G150-D152 PolarHBondContact O-N 3.2Å
151	T	53.6	Low	67.6	Low	96 Å²	96	51.9 Å²	51.9	59%	0.589	28%	0.279	S	S	*	.			trans	-82.1	110.4	168.1	-30.5	0	0	0	0	108.2	L148 H153	L148-T151 PolarHBondContact O-OG1 3.16Å; T151-H153 PolarHBondContact O-N 3.3Å
152	D	42.1	Very low	68.3	Low	98 Å²	98	51.4 Å²	51.4	52%	0.524	28%	0.276	S	S	.	.			trans	-59.8	124.7	-172	-173.8	-2.8	0	0	0	113	G150 T154	G150-D152 PolarHBondContact O-N 3.2Å; D152-T154 VanDerWaalsContact C-N 3.29Å; D152-T154 PolarHBondContact O-N 2.91Å; D152-T154 WeakPolarHBondContact OD1-CB 3.45Å; D152-T154 WeakPolarHBondContact OD1-CG2 3.34Å; D152-T154 PolarHBondContact OD1-N 2.99Å; D152-T154 PolarHBondContact OD1-OG1 3.01Å; D152-T154 PolarHBondContact OD2-OG1 3.47Å
153	H	42.4	Very low	68.9	Low	94 Å²	94	55.2 Å²	55.2	44%	0.435	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-77.8	-7.7	179.1	-72.9	-67	0	0	0	113.8	T151 R156	T151-H153 PolarHBondContact O-N 3.3Å; H153-R156 WeakPolarHBondContact O-CG 3.43Å
154	T	41.2	Very low	69.9	Low	70 Å²	70	48 Å²	48	43%	0.429	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-79.6	-16.7	-179.3	69.8	0	0	0	0	113.6	D152 K274	D152-T154 VanDerWaalsContact C-N 3.29Å; D152-T154 PolarHBondContact O-N 2.91Å; D152-T154 WeakPolarHBondContact OD1-CB 3.45Å; D152-T154 WeakPolarHBondContact OD1-CG2 3.34Å; D152-T154 PolarHBondContact OD1-N 2.99Å; D152-T154 PolarHBondContact OD1-OG1 3.01Å; D152-T154 PolarHBondContact OD2-OG1 3.47Å; T154-K274 WeakPolarHBondContact O-CD 3.44Å; T154-K274 WeakPolarHBondContact O-CE 3.46Å; T154-K274 PolarHBondContact O-NZ 2.8Å
155	E	52.6	Low	70.7	Confident	20 Å²	20	47.7 Å²	47.7	9%	0.093	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-127.6	42.6	-174.4	-64.2	-174.1	173.3	0	0	113.9	R157 G158 R159 N180	E155-R157 PolarHBondContact O-N 3Å; E155-G158 PolarHBondContact O-N 2.89Å; E155-R159 VanDerWaalsContact OE1-CD 3.23Å; E155-R159 WeakPolarHBondContact OE1-CD 3.46Å; E155-R159 IonicContact OE1-CZ 2.75Å; E155-R159 IonicContact OE1-NE 3.65Å; E155-R159 IonicContact OE1-NH1 3.19Å; E155-R159 PolarHBondContact OE1-NH1 2.76Å; E155-R159 WeakPolarHBondContact OE2-CD 3.37Å; E155-R159 IonicContact OE2-CZ 3.25Å; E155-R159 IonicContact OE2-NE 2.82Å; E155-R159 PolarHBondContact OE2-NE 2.84Å; E155-R159 IonicContact OE2-NH1 2.83Å; E155-N180 PolarHBondContact OE2-ND2 3.02Å
156	R	58	Low	71.7	Confident	99 Å²	99	48.5 Å²	48.5	37%	0.374	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-21	-170.9	-62.3	-175.2	-174.9	171.1	-3.9	118.4	C51 T52 H153 I182	C51-R156 PolarHBondContact O-NH1 3.44Å; T52-R156 VanDerWaalsContact OG1-CZ 3.24Å; T52-R156 PolarHBondContact OG1-NH1 3.08Å; T52-R156 PolarHBondContact OG1-NH2 2.95Å; H153-R156 WeakPolarHBondContact O-CG 3.43Å; R156-I182 WeakPolarHBondContact O-CG2 3.46Å
157	R	73.4	Confident	72.8	Confident	61 Å²	61	51.9 Å²	51.9	23%	0.23	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.1	2	177.6	-66.9	177	176.1	-79.7	-5	112.8	E155 M254 L275 L276	E155-R157 PolarHBondContact O-N 3Å; R157-M254 WeakPolarHBondContact CD-O 3.47Å; R157-M254 PolarHBondContact NH1-O 3.49Å; R157-L275 HydrophobicContact CB-CB 3.86Å; R157-L275 WeakPolarHBondContact O-CD1 3.31Å; R157-L276 WeakPolarHBondContact CD-O 3.34Å
158	G	76.3	Confident	73.8	Confident	0 Å²	0	53 Å²	53	0%	0	30%	0.299	C	S	.	.			trans	87.5	-173.6	-169.8	0	0	0	0	0	114.2	E155 K179 N180 L275	E155-G158 PolarHBondContact O-N 2.89Å; G158-K179 CarbonylContact C-O 3.59Å; G158-K179 VanDerWaalsContact CA-O 3.24Å; G158-K179 WeakPolarHBondContact CA-O 3.25Å; G158-N180 WeakPolarHBondContact CA-O 3.33Å; G158-N180 PolarHBondContact N-O 3.28Å; G158-L275 WeakPolarHBondContact O-CB 3.44Å; G158-L275 PolarHBondContact O-N 3.41Å
159	R	85.9	Confident	75.1	Confident	22 Å²	22	52.7 Å²	52.7	8%	0.083	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	152.9	-178.8	55	174.5	170.3	-166.8	17.4	110.8	E155 G178 K179 W272 F273 I288 D293	E155-R159 VanDerWaalsContact OE1-CD 3.23Å; E155-R159 WeakPolarHBondContact OE1-CD 3.46Å; E155-R159 IonicContact OE1-CZ 2.75Å; E155-R159 IonicContact OE1-NE 3.65Å; E155-R159 IonicContact OE1-NH1 3.19Å; E155-R159 PolarHBondContact OE1-NH1 2.76Å; E155-R159 WeakPolarHBondContact OE2-CD 3.37Å; E155-R159 IonicContact OE2-CZ 3.25Å; E155-R159 IonicContact OE2-NE 2.82Å; E155-R159 PolarHBondContact OE2-NE 2.84Å; E155-R159 IonicContact OE2-NH1 2.83Å; R159-G178 CarbonylContact O-C 3.59Å; R159-G178 WeakPolarHBondContact O-CA 3.33Å; R159-K179 HydrophobicContact CG-CB 3.81Å; R159-K179 PolarHBondContact N-O 2.86Å; R159-K179 PolarHBondContact O-N 3.13Å; R159-W272 HydrophobicContact CB-CE3 3.93Å; R159-W272 HydrophobicContact CB-CZ3 4.37Å; R159-W272 HydrophobicContact CG-CE3 3.63Å; R159-W272 HydrophobicContact CG-CZ3 3.75Å; R159-F273 CarbonylContact C-O 3.51Å; R159-F273 VanDerWaalsContact CA-O 3.25Å; R159-F273 WeakPolarHBondContact CA-O 3.13Å; R159-I288 HydrophobicContact CB-CD1 3.66Å; R159-D293 IonicContact CZ-OD2 2.79Å; R159-D293 IonicContact NH1-OD2 3.27Å; R159-D293 IonicContact NH2-OD2 3.93Å; R159-D293 PolarHBondContact NH2-OD2 3.23Å
160	L	93.6	Very high	76.9	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	128.4	-178.4	-163.9	68.6	0	0	0	110.2	L162 V175 V194 W221 V240 V242 F273 L275	L160-L162 HydrophobicContact CD2-CD1 4.02Å; L160-L162 HydrophobicContact CD2-CD2 3.66Å; L160-L162 HydrophobicContact CD2-CG 3.92Å; L160-L162 HydrophobicContact CG-CD2 3.9Å; L160-L162 HydrophobicContact CG-CG 4Å; L160-V175 HydrophobicContact CD1-CG1 4.32Å; L160-V194 HydrophobicContact CD1-CG2 4.38Å; L160-V194 HydrophobicContact CD2-CG1 4.46Å; L160-W221 HydrophobicContact CD1-CE3 4.29Å; L160-W221 HydrophobicContact CD1-CH2 4.04Å; L160-W221 HydrophobicContact CD1-CZ3 3.43Å; L160-W221 VanDerWaalsContact CD1-CZ3 3.43Å; L160-V240 HydrophobicContact CD2-CG1 3.76Å; L160-V242 HydrophobicContact CD1-CG2 4.47Å; L160-V242 HydrophobicContact CD2-CG2 4.2Å; L160-F273 PolarHBondContact N-O 2.81Å; L160-F273 PolarHBondContact O-N 3.47Å; L160-L275 HydrophobicContact CB-CD2 4.26Å; L160-L275 HydrophobicContact CB-CG 4.46Å
161	Y	95.3	Very high	79	Confident	69 Å²	69	54.5 Å²	54.5	27%	0.271	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	116.9	172.4	-164.9	-78.1	0	0	0	109.8	V176 E177 G271 W272	Y161-V176 HydrophobicContact CD1-CB 3.77Å; Y161-V176 HydrophobicContact CD1-CG1 4.29Å; Y161-V176 HydrophobicContact CD1-CG2 3.68Å; Y161-V176 HydrophobicContact CE1-CG2 4.22Å; Y161-V176 HydrophobicContact CG-CB 4.43Å; Y161-V176 PolarHBondContact O-N 3.36Å; Y161-E177 PolarHBondContact N-O 3.2Å; Y161-G271 WeakPolarHBondContact CA-O 3.39Å; Y161-W272 AromaticContact CD2-CD1 3.79Å; Y161-W272 AromaticContact CD2-CD2 3.76Å; Y161-W272 HydrophobicContact CD2-CD2 3.76Å; Y161-W272 AromaticContact CD2-CE2 3.6Å; Y161-W272 HydrophobicContact CD2-CE3 4.42Å; Y161-W272 AromaticContact CD2-CG 3.87Å; Y161-W272 HydrophobicContact CD2-CG 3.87Å; Y161-W272 HydrophobicContact CD2-CZ2 4.1Å; Y161-W272 AromaticContact CD2-NE1 3.61Å; Y161-W272 HydrophobicContact CG-CD2 4.42Å
162	L	96.4	Very high	81.1	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	149.3	-176.1	-65.5	177.6	0	0	0	111.1	L160 V175 V240 L257 F259 C270 G271 F273	L160-L162 HydrophobicContact CD2-CD1 4.02Å; L160-L162 HydrophobicContact CD2-CD2 3.66Å; L160-L162 HydrophobicContact CD2-CG 3.92Å; L160-L162 HydrophobicContact CG-CD2 3.9Å; L160-L162 HydrophobicContact CG-CG 4Å; L162-V175 HydrophobicContact CD2-CB 4.21Å; L162-V175 HydrophobicContact CD2-CG1 4.19Å; L162-V175 HydrophobicContact CD2-CG2 3.93Å; L162-V240 HydrophobicContact CD1-CG1 4.17Å; L162-V240 HydrophobicContact CD1-CG2 4.27Å; L162-L257 HydrophobicContact CD1-CD1 3.73Å; L162-L257 HydrophobicContact CD1-CD2 4.26Å; L162-F259 HydrophobicContact CD1-CE2 3.75Å; L162-F259 HydrophobicContact CD1-CZ 4.14Å; L162-C270 WeakPolarHBondContact O-CA 3.32Å; L162-G271 PolarHBondContact N-O 3.19Å; L162-G271 PolarHBondContact O-N 3.49Å; L162-F273 HydrophobicContact CB-CD2 4.2Å; L162-F273 HydrophobicContact CB-CE2 4.29Å
163	K	96.9	Very high	83.7	Confident	104 Å²	104	49.2 Å²	49.2	45%	0.452	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	113.5	165.1	-179.7	178.7	-179	178.9	0	109.4	V165 K174 V269 C270	K163-V165 HydrophobicContact CG-CG2 4.22Å; K163-K174 HydrophobicContact CB-CB 4.25Å; K163-K174 PolarHBondContact N-O 3.16Å; K163-K174 PolarHBondContact O-N 3Å; K163-V269 CarbonylContact C-O 3.6Å; K163-V269 VanDerWaalsContact CA-O 3.31Å; K163-V269 WeakPolarHBondContact CA-O 3.24Å; K163-C270 HydrophobicContact CG-CB 4.34Å
164	C	96.4	Very high	86.3	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	126.4	178.7	-44.4	0	0	0	0	109.6	L171 E172 V173 L264 P268 V269	C164-L171 HydrophobicContact CB-CD1 4.41Å; C164-E172 CarbonylContact C-O 3.58Å; C164-E172 VanDerWaalsContact CA-O 3.32Å; C164-E172 WeakPolarHBondContact CA-O 3.47Å; C164-V173 HydrophobicContact CB-CG2 4.5Å; C164-L264 HydrophobicContact CB-CD1 4.11Å; C164-L264 HydrophobicContact CB-CD2 3.88Å; C164-P268 WeakPolarHBondContact O-CA 3.33Å; C164-V269 HydrophobicContact CB-CG2 3.58Å; C164-V269 PolarHBondContact N-O 3.27Å; C164-V269 PolarHBondContact O-N 3.19Å
165	V	95.5	Very high	89	Confident	39 Å²	39	44.6 Å²	44.6	24%	0.236	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	132.6	-177.7	-176.2	0	0	0	0	109.2	K163 E172 P268	K163-V165 HydrophobicContact CG-CG2 4.22Å; V165-E172 PolarHBondContact N-O 3.27Å; V165-E172 PolarHBondContact O-N 3.43Å; V165-P268 HydrophobicContact CB-CB 4.47Å; V165-P268 HydrophobicContact CG1-CB 4.44Å; V165-P268 HydrophobicContact CG2-CB 4Å
166	V	94.4	Very high	91	Very high	29 Å²	29	44.6 Å²	44.6	18%	0.176	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	121.9	171	-175.3	0	0	0	0	109.4	K170 L171 L229 L264 M265	V166-K170 CarbonylContact C-O 3.51Å; V166-K170 WeakPolarHBondContact CA-O 3.31Å; V166-L171 HydrophobicContact CG2-CB 4.21Å; V166-L171 HydrophobicContact CG2-CD1 3.71Å; V166-L229 HydrophobicContact CG1-CD1 3.89Å; V166-L229 HydrophobicContact CG2-CD1 4.45Å; V166-L264 HydrophobicContact CG2-CB 3.82Å; V166-M265 HydrophobicContact CB-CG 4.31Å; V166-M265 HydrophobicContact CG1-CG 3.93Å; V166-M265 HydrophobicContact CG2-CG 4.25Å
167	T	92.2	Very high	92.7	Very high	91 Å²	91	42 Å²	42	56%	0.558	22%	0.22	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-125.8	110	175.5	-52	0	0	0	0	109.3	D169 K170	T167-D169 PolarHBondContact O-N 3.23Å; T167-K170 PolarHBondContact N-O 2.89Å; T167-K170 PolarHBondContact O-N 3.15Å; T167-K170 VanDerWaalsContact O-N 3.14Å
168	G	89.6	Confident	93.5	Very high	73 Å²	73	39.1 Å²	39.1	75%	0.753	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.9	-119.9	-175.8	0	0	0	0	0	112
169	D	91.6	Very high	93.8	Very high	76 Å²	76	42.2 Å²	42.2	41%	0.406	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	15.5	177.1	72.4	-28.9	0	0	0	113.3	T167 K228 L229	T167-D169 PolarHBondContact O-N 3.23Å; D169-K228 CarbonylContact O-C 3.58Å; D169-K228 VanDerWaalsContact OD2-CE 3.24Å; D169-K228 WeakPolarHBondContact OD2-CE 3.47Å; D169-L229 PolarHBondContact O-N 3.06Å
170	K	95.1	Very high	93.3	Very high	104 Å²	104	45.2 Å²	45.2	45%	0.452	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	127.5	-177.1	-63.3	179.4	-175.4	176.8	0	111.8	V166 T167 V226 F227	V166-K170 CarbonylContact C-O 3.51Å; V166-K170 WeakPolarHBondContact CA-O 3.31Å; T167-K170 PolarHBondContact N-O 2.89Å; T167-K170 PolarHBondContact O-N 3.15Å; T167-K170 VanDerWaalsContact O-N 3.14Å; K170-V226 HydrophobicContact CB-CG1 4.16Å; K170-V226 HydrophobicContact CD-CG1 4.37Å; K170-V226 HydrophobicContact CG-CG1 4.4Å; K170-F227 WeakPolarHBondContact CA-O 3.23Å
171	L	96.5	Very high	92.1	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	111.7	165.8	165.9	61.9	0	0	0	108.7	C164 V166 V173 L198 V226 F227 L229 L238 L264	C164-L171 HydrophobicContact CB-CD1 4.41Å; V166-L171 HydrophobicContact CG2-CB 4.21Å; V166-L171 HydrophobicContact CG2-CD1 3.71Å; L171-V173 HydrophobicContact CD1-CG2 3.99Å; L171-V173 HydrophobicContact CD2-CG2 4.36Å; L171-V173 HydrophobicContact CG-CG2 3.89Å; L171-L198 HydrophobicContact CD2-CD2 4.14Å; L171-V226 WeakPolarHBondContact O-CA 3.4Å; L171-F227 HydrophobicContact CB-CB 4.2Å; L171-F227 HydrophobicContact CD2-CD2 4.41Å; L171-F227 HydrophobicContact CG-CD2 4.45Å; L171-F227 PolarHBondContact N-O 2.84Å; L171-F227 PolarHBondContact O-N 3.49Å; L171-L229 HydrophobicContact CB-CD1 3.92Å; L171-L229 HydrophobicContact CB-CD2 3.95Å; L171-L229 HydrophobicContact CB-CG 3.95Å; L171-L229 HydrophobicContact CD2-CD2 4.34Å; L171-L238 HydrophobicContact CD2-CB 4.28Å; L171-L238 HydrophobicContact CD2-CD1 4.21Å; L171-L238 HydrophobicContact CD2-CD2 4.24Å; L171-L238 HydrophobicContact CD2-CG 4.47Å; L171-L264 HydrophobicContact CD1-CD1 3.75Å; L171-L264 HydrophobicContact CD2-CD1 4.31Å
172	E	97.4	Very high	90.8	Very high	82 Å²	82	43.8 Å²	43.8	38%	0.383	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	123.7	174.8	-59.4	-171.9	168.5	0	0	109.5	C164 V165 T224 V226	C164-E172 CarbonylContact C-O 3.58Å; C164-E172 VanDerWaalsContact CA-O 3.32Å; C164-E172 WeakPolarHBondContact CA-O 3.47Å; V165-E172 PolarHBondContact N-O 3.27Å; V165-E172 PolarHBondContact O-N 3.43Å; E172-T224 HydrophobicContact CB-CG2 4.47Å; E172-V226 HydrophobicContact CG-CG1 4.27Å; E172-V226 HydrophobicContact CG-CG2 4.09Å
173	V	97.5	Very high	89.4	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	108.5	179.3	-173.6	0	0	0	0	108.8	C164 L171 L196 T224 I225 F227 L238	C164-V173 HydrophobicContact CB-CG2 4.5Å; L171-V173 HydrophobicContact CD1-CG2 3.99Å; L171-V173 HydrophobicContact CD2-CG2 4.36Å; L171-V173 HydrophobicContact CG-CG2 3.89Å; V173-L196 HydrophobicContact CB-CD2 3.81Å; V173-L196 HydrophobicContact CG1-CD2 3.33Å; V173-L196 HydrophobicContact CG2-CD2 4.24Å; V173-T224 WeakPolarHBondContact O-CA 3.43Å; V173-I225 PolarHBondContact N-O 2.87Å; V173-I225 PolarHBondContact O-N 2.83Å; V173-F227 HydrophobicContact CG2-CD2 4.33Å; V173-F227 HydrophobicContact CG2-CE2 4.29Å; V173-L238 HydrophobicContact CB-CD2 4.45Å; V173-L238 HydrophobicContact CG1-CD2 4.19Å; V173-L238 HydrophobicContact CG2-CD1 4.13Å; V173-L238 HydrophobicContact CG2-CD2 3.42Å; V173-L238 VanDerWaalsContact CG2-CD2 3.42Å; V173-L238 HydrophobicContact CG2-CG 4.42Å
174	K	97.6	Very high	88.2	Confident	67 Å²	67	43 Å²	43	29%	0.291	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	115.7	172.1	-170.2	180	-178.3	-163.9	0	109.9	K163 V176 D222 E223	K163-K174 HydrophobicContact CB-CB 4.25Å; K163-K174 PolarHBondContact N-O 3.16Å; K163-K174 PolarHBondContact O-N 3Å; K174-V176 HydrophobicContact CD-CG2 4.09Å; K174-V176 HydrophobicContact CG-CG2 4.03Å; K174-D222 VanDerWaalsContact CE-OD1 3.27Å; K174-D222 WeakPolarHBondContact CE-OD1 3.4Å; K174-D222 IonicContact NZ-OD1 3.52Å; K174-D222 PolarHBondContact NZ-OD1 3.03Å; K174-E223 CarbonylContact C-O 3.6Å; K174-E223 WeakPolarHBondContact CA-O 3.47Å
175	V	97.2	Very high	86.6	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	107.4	171.1	-175.9	0	0	0	0	107.5	L160 L162 V194 L196 T210 W221 D222 E223	L160-V175 HydrophobicContact CD1-CG1 4.32Å; L162-V175 HydrophobicContact CD2-CB 4.21Å; L162-V175 HydrophobicContact CD2-CG1 4.19Å; L162-V175 HydrophobicContact CD2-CG2 3.93Å; V175-V194 HydrophobicContact CG1-CB 4.14Å; V175-V194 HydrophobicContact CG1-CG1 4.38Å; V175-V194 HydrophobicContact CG1-CG2 3.7Å; V175-V194 HydrophobicContact CG2-CG1 4.25Å; V175-L196 HydrophobicContact CG2-CD1 4.1Å; V175-L196 HydrophobicContact CG2-CD2 4.35Å; V175-T210 HydrophobicContact CB-CG2 4.16Å; V175-T210 HydrophobicContact CG1-CG2 4.39Å; V175-T210 HydrophobicContact CG2-CG2 4.14Å; V175-W221 HydrophobicContact CG1-CB 4.38Å; V175-W221 HydrophobicContact CG1-CD2 4.15Å; V175-W221 HydrophobicContact CG1-CE3 3.73Å; V175-W221 HydrophobicContact CG1-CG 4.45Å; V175-W221 HydrophobicContact CG1-CZ3 4.31Å; V175-D222 WeakPolarHBondContact O-CA 3.25Å; V175-D222 PolarHBondContact O-N 2.79Å; V175-D222 VanDerWaalsContact O-N 3.08Å; V175-E223 PolarHBondContact N-O 3.14Å; V175-E223 PolarHBondContact O-N 3.03Å; V175-E223 VanDerWaalsContact O-N 3.09Å
176	V	95.3	Very high	84.7	Confident	20 Å²	20	48.6 Å²	48.6	12%	0.121	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	-69.4	-172	-175.5	0	0	0	0	110.2	Y161 K174 W221 D222	Y161-V176 HydrophobicContact CD1-CB 3.77Å; Y161-V176 HydrophobicContact CD1-CG1 4.29Å; Y161-V176 HydrophobicContact CD1-CG2 3.68Å; Y161-V176 HydrophobicContact CE1-CG2 4.22Å; Y161-V176 HydrophobicContact CG-CB 4.43Å; Y161-V176 PolarHBondContact O-N 3.36Å; K174-V176 HydrophobicContact CD-CG2 4.09Å; K174-V176 HydrophobicContact CG-CG2 4.03Å; V176-W221 PolarHBondContact O-N 3.23Å; V176-D222 PolarHBondContact O-N 3.25Å
177	E	93.3	Very high	83.2	Confident	46 Å²	46	51.6 Å²	51.6	22%	0.215	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	156.5	-175.7	57.7	174.8	-164.1	0	0	111.9	Y161 K179 P219 R220 W272	Y161-E177 PolarHBondContact N-O 3.2Å; E177-K179 IonicContact OE1-NZ 3.76Å; E177-P219 CarbonylContact C-O 3.59Å; E177-P219 WeakPolarHBondContact CA-O 3.42Å; E177-P219 WeakPolarHBondContact CB-O 3.42Å; E177-R220 HydrophobicContact CB-CB 4.24Å; E177-R220 HydrophobicContact CB-CG 4.21Å; E177-W272 HydrophobicContact CG-CH2 3.65Å; E177-W272 HydrophobicContact CG-CZ2 4.22Å; E177-W272 HydrophobicContact CG-CZ3 4.44Å; E177-W272 VanDerWaalsContact OE1-CH2 3.31Å; E177-W272 WeakPolarHBondContact OE1-CH2 3.39Å; E177-W272 WeakPolarHBondContact OE1-CZ2 3.4Å
178	G	89.9	Confident	81.3	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	150.8	168.3	0	0	0	0	0	109.7	R159 N218 P219	R159-G178 CarbonylContact O-C 3.59Å; R159-G178 WeakPolarHBondContact O-CA 3.33Å; G178-N218 CarbonylContact O-C 3.6Å; G178-N218 WeakPolarHBondContact O-CA 3.46Å; G178-P219 PolarHBondContact N-O 2.96Å
179	K	83.1	Confident	80.3	Confident	64 Å²	64	48.7 Å²	48.7	28%	0.278	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	150.5	172.1	-75.1	179.5	-174.5	178.5	0	110.7	G158 R159 E177 L181 N218 W272	G158-K179 CarbonylContact C-O 3.59Å; G158-K179 VanDerWaalsContact CA-O 3.24Å; G158-K179 WeakPolarHBondContact CA-O 3.25Å; R159-K179 HydrophobicContact CG-CB 3.81Å; R159-K179 PolarHBondContact N-O 2.86Å; R159-K179 PolarHBondContact O-N 3.13Å; E177-K179 IonicContact OE1-NZ 3.76Å; K179-L181 PolarHBondContact O-N 3.4Å; K179-N218 WeakPolarHBondContact CA-OD1 3.5Å; K179-W272 HydrophobicContact CB-CH2 4.12Å; K179-W272 HydrophobicContact CB-CZ3 4.17Å; K179-W272 HydrophobicContact CD-CH2 3.44Å; K179-W272 VanDerWaalsContact CD-CH2 3.44Å; K179-W272 HydrophobicContact CD-CZ2 3.73Å; K179-W272 HydrophobicContact CD-CZ3 4.25Å; K179-W272 HydrophobicContact CG-CH2 3.58Å; K179-W272 HydrophobicContact CG-CZ2 4.36Å; K179-W272 HydrophobicContact CG-CZ3 4.13Å
180	N	74.4	Confident	79.7	Confident	86 Å²	86	45.1 Å²	45.1	46%	0.46	24%	0.244	S	C	.	.	S	Bend	trans	54.7	33.5	176.9	-55.7	-32.8	0	0	0	113.2	E155 G158 L217 N218	E155-N180 PolarHBondContact OE2-ND2 3.02Å; G158-N180 WeakPolarHBondContact CA-O 3.33Å; G158-N180 PolarHBondContact N-O 3.28Å; N180-L217 PolarHBondContact N-O 2.85Å; N180-N218 PolarHBondContact N-OD1 3.29Å
181	L	69.4	Low	79.4	Confident	3 Å²	3	40.8 Å²	40.8	2%	0.016	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-62.9	149.6	178.3	-61	-174.1	0	0	0	110.5	K179 P192 L217 P219 W221 V242 M254 L275	K179-L181 PolarHBondContact O-N 3.4Å; L181-P192 HydrophobicContact CD1-CB 3.76Å; L181-P192 HydrophobicContact CD1-CG 3.92Å; L181-L217 HydrophobicContact CB-CB 4.43Å; L181-L217 WeakPolarHBondContact CB-O 3.48Å; L181-L217 WeakPolarHBondContact CG-O 3.44Å; L181-L217 PolarHBondContact N-O 3.42Å; L181-L217 WeakPolarHBondContact O-CD2 3.43Å; L181-P219 VanDerWaalsContact CD1-CD 3.48Å; L181-P219 HydrophobicContact CD1-CG 3.48Å; L181-P219 VanDerWaalsContact CD1-CG 3.48Å; L181-W221 HydrophobicContact CD1-CH2 4.19Å; L181-V242 HydrophobicContact CD1-CG1 4.25Å; L181-M254 HydrophobicContact CB-CE 3.88Å; L181-M254 HydrophobicContact CD1-CE 4.2Å; L181-L275 HydrophobicContact CD2-CD1 3.26Å
182	I	67.1	Low	79.3	Confident	35 Å²	35	40.8 Å²	40.8	18%	0.179	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-68.3	138.9	178.8	50.7	174.1	0	0	0	111.2	R156 M184 S190 M254	R156-I182 WeakPolarHBondContact O-CG2 3.46Å; I182-M184 HydrophobicContact CD1-CG 4.49Å; I182-M184 HydrophobicContact CD1-SD 3.53Å; I182-M184 VanDerWaalsContact CD1-SD 3.53Å; I182-M184 HydrophobicContact CG1-CG 4.26Å; I182-M184 HydrophobicContact CG1-SD 3.87Å; I182-S190 PolarHBondContact O-OG 2.82Å; I182-M254 HydrophobicContact CD1-CB 4.38Å; I182-M254 WeakPolarHBondContact CD1-O 3.38Å; I182-M254 HydrophobicContact CG1-CB 4.17Å; I182-M254 HydrophobicContact CG1-CE 4.34Å; I182-M254 WeakPolarHBondContact O-CE 3.37Å
183	P	66.1	Low	79.3	Confident	45 Å²	45	37.7 Å²	37.7	29%	0.292	21%	0.211	S	C	.	.	P	Polyproline II helix	trans	-73.2	133.7	170.8	31.8	-33.8	0	0	0	109.9	T81 G188 L217	T81-P183 HydrophobicContact CG2-CG 4.37Å; P183-G188 WeakPolarHBondContact CB-O 3.33Å; P183-L217 HydrophobicContact CB-CD1 4.26Å; P183-L217 HydrophobicContact CB-CD2 4.31Å
184	M	73.4	Confident	79.2	Confident	44 Å²	44	37.7 Å²	37.7	22%	0.217	21%	0.211	C	C	.	.			trans	-124	-24.9	-176.8	-63.5	-56.9	-71	0	0	111.2	I182 L189 S190 D244 D252 M254	I182-M184 HydrophobicContact CD1-CG 4.49Å; I182-M184 HydrophobicContact CD1-SD 3.53Å; I182-M184 VanDerWaalsContact CD1-SD 3.53Å; I182-M184 HydrophobicContact CG1-CG 4.26Å; I182-M184 HydrophobicContact CG1-SD 3.87Å; M184-L189 PolarHBondContact N-O 2.9Å; M184-L189 VanDerWaalsContact N-O 3.07Å; M184-S190 WeakPolarHBondContact CB-OG 3.37Å; M184-S190 PolarHBondContact N-OG 2.95Å; M184-D244 HydrophobicContact CB-CB 3.83Å; M184-D244 WeakPolarHBondContact CB-OD2 3.42Å; M184-D244 HydrophobicContact CG-CB 4.05Å; M184-D252 HydrophobicContact CE-CB 3.43Å; M184-D252 VanDerWaalsContact CE-CB 3.43Å; M184-M254 HydrophobicContact CG-CE 4.25Å; M184-M254 HydrophobicContact CG-CG 3.96Å
185	D	61.2	Low	79.2	Confident	30 Å²	30	35.5 Å²	35.5	16%	0.16	20%	0.201	C	C	.	.	S	Bend	trans	-86.3	152.9	176.8	-76.6	-53.3	0	0	0	112.6	N187 G188 L189 S190	D185-N187 WeakPolarHBondContact CB-OD1 3.23Å; D185-N187 PolarHBondContact O-N 3.43Å; D185-G188 PolarHBondContact O-N 3.47Å; D185-L189 WeakPolarHBondContact CB-O 3.28Å; D185-L189 PolarHBondContact N-O 2.86Å; D185-S190 WeakPolarHBondContact OD2-CA 3.24Å
186	P	57.3	Low	79.2	Confident	126 Å²	126	35.5 Å²	35.5	82%	0.818	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-19.7	174.7	-25.8	34.6	0	0	0	115.4	G188	P186-G188 PolarHBondContact O-N 2.71Å
187	N	60.9	Low	79.2	Confident	91 Å²	91	36.5 Å²	36.5	49%	0.487	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-1.1	176.8	65.9	5.8	0	0	0	113.2	D185 L189 S215	D185-N187 WeakPolarHBondContact CB-OD1 3.23Å; D185-N187 PolarHBondContact O-N 3.43Å; N187-L189 VanDerWaalsContact C-N 3.33Å; N187-L189 WeakPolarHBondContact OD1-CA 3.29Å; N187-L189 WeakPolarHBondContact OD1-CB 3.16Å; N187-L189 PolarHBondContact OD1-N 2.82Å; N187-S215 PolarHBondContact ND2-OG 3.11Å
188	G	53.7	Low	79.3	Confident	41 Å²	41	34.4 Å²	34.4	42%	0.423	19%	0.194	S	C	.	.	S	Bend	trans	77.8	16.8	-177.5	0	0	0	0	0	113.9	P183 D185 P186	P183-G188 WeakPolarHBondContact CB-O 3.33Å; D185-G188 PolarHBondContact O-N 3.47Å; P186-G188 PolarHBondContact O-N 2.71Å
189	L	68.6	Low	79.3	Confident	63 Å²	63	35 Å²	35	33%	0.33	20%	0.198	S	C	.	.			trans	-125.1	-168.3	176.1	-60.5	167.9	0	0	0	109.1	M184 D185 N187 S215 L217	M184-L189 PolarHBondContact N-O 2.9Å; M184-L189 VanDerWaalsContact N-O 3.07Å; D185-L189 WeakPolarHBondContact CB-O 3.28Å; D185-L189 PolarHBondContact N-O 2.86Å; N187-L189 VanDerWaalsContact C-N 3.33Å; N187-L189 WeakPolarHBondContact OD1-CA 3.29Å; N187-L189 WeakPolarHBondContact OD1-CB 3.16Å; N187-L189 PolarHBondContact OD1-N 2.82Å; L189-S215 WeakPolarHBondContact CD1-O 3.35Å; L189-L217 HydrophobicContact CD2-CD1 4.33Å; L189-L217 HydrophobicContact CD2-CG 4.04Å
190	S	78.7	Confident	79.4	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	22%	0.215	C	C	.	.			trans	-147.1	160.9	172.7	-69.9	0	0	0	0	110.2	I182 M184 D185 P192 S215 N216 M254	I182-S190 PolarHBondContact O-OG 2.82Å; M184-S190 WeakPolarHBondContact CB-OG 3.37Å; M184-S190 PolarHBondContact N-OG 2.95Å; D185-S190 WeakPolarHBondContact OD2-CA 3.24Å; S190-P192 WeakPolarHBondContact O-CD 3.3Å; S190-S215 CarbonylContact O-C 3.35Å; S190-S215 WeakPolarHBondContact O-CA 3.47Å; S190-S215 PolarHBondContact O-N 2.98Å; S190-S215 VanDerWaalsContact O-N 3.07Å; S190-N216 PolarHBondContact O-N 3.49Å; S190-M254 WeakPolarHBondContact OG-CE 3.47Å
191	D	89.4	Confident	80	Confident	13 Å²	13	33.9 Å²	33.9	7%	0.07	20%	0.2	C	C	.	.			trans	-103.9	62	172	-71.4	-37.1	0	0	0	112.4	R212 I213 Y214 S215 D244 W245	D191-R212 HydrophobicContact CB-CG 4.13Å; D191-R212 VanDerWaalsContact CG-NH2 3.32Å; D191-R212 IonicContact OD1-NE 2.72Å; D191-R212 IonicContact OD1-NH2 2.82Å; D191-R212 IonicContact OD2-CZ 2.8Å; D191-R212 IonicContact OD2-NE 2.81Å; D191-R212 PolarHBondContact OD2-NE 3.46Å; D191-R212 IonicContact OD2-NH2 3.22Å; D191-R212 PolarHBondContact OD2-NH2 2.96Å; D191-I213 CarbonylContact C-O 3.23Å; D191-I213 VanDerWaalsContact C-O 3.23Å; D191-I213 WeakPolarHBondContact CA-O 3.15Å; D191-Y214 WeakPolarHBondContact OD1-CA 3.44Å; D191-S215 PolarHBondContact OD1-N 3.5Å; D191-D244 VanDerWaalsContact CA-OD1 3.27Å; D191-D244 WeakPolarHBondContact CA-OD1 3.28Å; D191-D244 WeakPolarHBondContact CB-OD1 3.44Å; D191-D244 PolarHBondContact N-OD1 2.94Å; D191-W245 HydrophobicContact CB-CB 4.14Å; D191-W245 PolarHBondContact O-N 3.47Å; D191-W245 VanDerWaalsContact O-N 3.14Å
192	P	93.4	Very high	80.5	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	141.5	-164.4	33.2	-41	0	0	0	113.5	L181 S190 I213 N216 P219 W221 V242 W243 M254	L181-P192 HydrophobicContact CD1-CB 3.76Å; L181-P192 HydrophobicContact CD1-CG 3.92Å; S190-P192 WeakPolarHBondContact O-CD 3.3Å; P192-I213 VanDerWaalsContact CD-O 3.31Å; P192-I213 WeakPolarHBondContact CD-O 3.33Å; P192-I213 PolarHBondContact O-N 2.99Å; P192-N216 WeakPolarHBondContact CD-O 3.41Å; P192-N216 VanDerWaalsContact CG-O 3.31Å; P192-N216 WeakPolarHBondContact CG-O 3.18Å; P192-P219 HydrophobicContact CB-CG 4.33Å; P192-P219 HydrophobicContact CG-CB 3.77Å; P192-P219 HydrophobicContact CG-CG 3.58Å; P192-W221 HydrophobicContact CB-CH2 4.44Å; P192-W221 HydrophobicContact CB-CZ2 3.9Å; P192-W221 HydrophobicContact CG-CZ2 4.11Å; P192-W221 PolarHBondContact O-NE1 3.38Å; P192-V242 HydrophobicContact CB-CG1 4.16Å; P192-W243 CarbonylContact C-O 3.59Å; P192-W243 VanDerWaalsContact CA-O 3.31Å; P192-W243 WeakPolarHBondContact CA-O 3.38Å; P192-M254 HydrophobicContact CB-CE 4.2Å; P192-M254 HydrophobicContact CB-SD 3.79Å
193	Y	96.8	Very high	81.1	Confident	18 Å²	18	45.5 Å²	45.5	7%	0.071	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	151.8	165.9	71.9	-79.4	0	0	0	110.6	K209 W243 W245 N251	Y193-K209 HydrophobicContact CD2-CB 4.2Å; Y193-K209 HydrophobicContact CD2-CD 4.27Å; Y193-K209 HydrophobicContact CE2-CD 4.27Å; Y193-W243 HydrophobicContact CD1-CB 4.05Å; Y193-W243 VanDerWaalsContact CD1-O 3.25Å; Y193-W243 WeakPolarHBondContact CD1-O 3.35Å; Y193-W243 HydrophobicContact CE1-CB 3.37Å; Y193-W243 HydrophobicContact CE1-CG 4.44Å; Y193-W243 HydrophobicContact CE2-CB 4.06Å; Y193-W243 HydrophobicContact CE2-CG 4.49Å; Y193-W243 AromaticContact CZ-CG 3.98Å; Y193-W243 PolarHBondContact N-O 3.01Å; Y193-W243 PolarHBondContact O-N 3.29Å; Y193-W243 WeakPolarHBondContact OH-CB 3.09Å; Y193-W245 HydrophobicContact CD1-CB 4.04Å; Y193-W245 HydrophobicContact CE1-CB 4.14Å; Y193-N251 HydrophobicContact CE1-CB 4.49Å; Y193-N251 WeakPolarHBondContact CE1-ND2 3.28Å; Y193-N251 PolarHBondContact OH-ND2 3.48Å
194	V	97.3	Very high	81.8	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	133.8	-179	-172.7	0	0	0	0	110	L160 V175 L196 K209 T210 W221 V240 E241 V242	L160-V194 HydrophobicContact CD1-CG2 4.38Å; L160-V194 HydrophobicContact CD2-CG1 4.46Å; V175-V194 HydrophobicContact CG1-CB 4.14Å; V175-V194 HydrophobicContact CG1-CG1 4.38Å; V175-V194 HydrophobicContact CG1-CG2 3.7Å; V175-V194 HydrophobicContact CG2-CG1 4.25Å; V194-L196 HydrophobicContact CG1-CD1 3.95Å; V194-L196 HydrophobicContact CG1-CG 4.4Å; V194-K209 CarbonylContact O-C 2.93Å; V194-K209 WeakPolarHBondContact O-CA 3.42Å; V194-K209 WeakPolarHBondContact O-CB 3.44Å; V194-T210 HydrophobicContact CB-CG2 3.97Å; V194-T210 PolarHBondContact N-OG1 3.46Å; V194-T210 PolarHBondContact O-N 2.72Å; V194-W221 HydrophobicContact CG2-CD2 4.17Å; V194-W221 HydrophobicContact CG2-CE3 4.21Å; V194-W221 HydrophobicContact CG2-CH2 3.68Å; V194-W221 HydrophobicContact CG2-CZ2 3.69Å; V194-W221 HydrophobicContact CG2-CZ3 3.97Å; V194-V240 HydrophobicContact CG1-CG1 3.5Å; V194-E241 CarbonylContact C-O 3.56Å; V194-E241 WeakPolarHBondContact CA-O 3.32Å; V194-V242 HydrophobicContact CG2-CG2 4.18Å
195	K	96.9	Very high	82.5	Confident	21 Å²	21	52.3 Å²	52.3	9%	0.091	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	129.2	176.5	-173.7	-162.8	-57.7	157.2	0	108.8	K207 Q208 E241 W243	K195-K207 HydrophobicContact CD-CD 4.09Å; K195-K207 HydrophobicContact CD-CG 4.2Å; K195-K207 HydrophobicContact CG-CD 4.38Å; K195-K207 HydrophobicContact CG-CG 3.99Å; K195-Q208 CarbonylContact C-O 3.5Å; K195-Q208 WeakPolarHBondContact CA-O 3.31Å; K195-E241 HydrophobicContact CB-CB 4.43Å; K195-E241 WeakPolarHBondContact CD-OE2 3.13Å; K195-E241 PolarHBondContact N-O 3.46Å; K195-E241 IonicContact NZ-OE2 2.61Å; K195-E241 PolarHBondContact NZ-OE2 2.79Å; K195-E241 PolarHBondContact O-N 2.77Å; K195-W243 VanDerWaalsContact NZ-CZ2 3.26Å
196	L	96.9	Very high	83.8	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	138.8	179	-59.8	94.7	0	0	0	110.5	V173 V175 V194 K207 Q208 I225 F227 L238 S239 V240	V173-L196 HydrophobicContact CB-CD2 3.81Å; V173-L196 HydrophobicContact CG1-CD2 3.33Å; V173-L196 HydrophobicContact CG2-CD2 4.24Å; V175-L196 HydrophobicContact CG2-CD1 4.1Å; V175-L196 HydrophobicContact CG2-CD2 4.35Å; V194-L196 HydrophobicContact CG1-CD1 3.95Å; V194-L196 HydrophobicContact CG1-CG 4.4Å; L196-K207 CarbonylContact O-C 3.6Å; L196-K207 WeakPolarHBondContact O-CA 3.43Å; L196-Q208 PolarHBondContact N-O 2.83Å; L196-Q208 PolarHBondContact O-N 2.93Å; L196-I225 HydrophobicContact CD1-CD1 3.56Å; L196-F227 HydrophobicContact CB-CE2 4.02Å; L196-F227 HydrophobicContact CB-CZ 3.65Å; L196-F227 HydrophobicContact CD2-CE2 4.45Å; L196-L238 HydrophobicContact CB-CD1 4.41Å; L196-L238 HydrophobicContact CD2-CD1 4.28Å; L196-S239 VanDerWaalsContact CA-O 3.28Å; L196-S239 WeakPolarHBondContact CA-O 3.31Å; L196-V240 HydrophobicContact CD2-CG2 4.11Å; L196-V240 HydrophobicContact CG-CG1 4.47Å; L196-V240 HydrophobicContact CG-CG2 4.45Å
197	K	95.8	Very high	85.5	Confident	40 Å²	40	50.9 Å²	50.9	17%	0.174	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	156	176.9	59.3	179.4	175.8	-175.5	0	109.9	I199 S239 E241	K197-I199 HydrophobicContact CD-CG2 3.84Å; K197-I199 HydrophobicContact CG-CG2 3.9Å; K197-S239 WeakPolarHBondContact CE-OG 3.42Å; K197-S239 PolarHBondContact N-O 3.25Å; K197-S239 VanDerWaalsContact N-O 3.12Å; K197-S239 PolarHBondContact O-N 3.14Å; K197-E241 WeakPolarHBondContact CE-OE1 3.43Å; K197-E241 IonicContact NZ-OE1 3.61Å; K197-E241 PolarHBondContact NZ-OE1 2.9Å
198	L	94.9	Very high	87.2	Confident	3 Å²	3	50.1 Å²	50.1	2%	0.016	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	115.4	171.7	-64	177.1	0	0	0	108.8	L171 P200 D201 T206 F227 L229 R236 R237 L238 V261	L171-L198 HydrophobicContact CD2-CD2 4.14Å; L198-P200 CarbonylContact O-C 3.55Å; L198-D201 VanDerWaalsContact O-CB 3.26Å; L198-D201 WeakPolarHBondContact O-CB 3.25Å; L198-T206 HydrophobicContact CB-CG2 4.27Å; L198-T206 HydrophobicContact CD1-CG2 4.43Å; L198-T206 PolarHBondContact N-OG1 3.21Å; L198-F227 HydrophobicContact CD1-CB 4.46Å; L198-F227 HydrophobicContact CD1-CD1 4.12Å; L198-F227 HydrophobicContact CG-CD1 3.94Å; L198-F227 HydrophobicContact CG-CE1 4.26Å; L198-L229 HydrophobicContact CD1-CD2 4Å; L198-R236 VanDerWaalsContact CB-CZ 3.44Å; L198-R236 PolarHBondContact O-NE 3.19Å; L198-R236 PolarHBondContact O-NH2 2.75Å; L198-R237 CarbonylContact C-O 3.55Å; L198-R237 VanDerWaalsContact CA-O 3.27Å; L198-R237 WeakPolarHBondContact CA-O 3.32Å; L198-L238 HydrophobicContact CD2-CB 4.38Å; L198-L238 HydrophobicContact CD2-CD1 4.29Å; L198-V261 HydrophobicContact CD2-CG2 3.88Å
199	I	89.7	Confident	89.2	Confident	13 Å²	13	54.6 Å²	54.6	7%	0.067	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	146	-179.4	58.2	172.8	0	0	0	112.1	K197 R236 R237 E282	K197-I199 HydrophobicContact CD-CG2 3.84Å; K197-I199 HydrophobicContact CG-CG2 3.9Å; I199-R236 CarbonylContact O-C 3.48Å; I199-R236 VanDerWaalsContact O-CA 3.29Å; I199-R236 WeakPolarHBondContact O-CA 3.36Å; I199-R236 VanDerWaalsContact O-CB 3.25Å; I199-R236 WeakPolarHBondContact O-CB 3.48Å; I199-R237 HydrophobicContact CD1-CB 4.21Å; I199-R237 HydrophobicContact CG1-CB 3.74Å; I199-R237 WeakPolarHBondContact CG1-O 3.31Å; I199-R237 PolarHBondContact N-O 2.77Å; I199-R237 PolarHBondContact O-N 3.34Å; I199-E282 HydrophobicContact CD1-CG 3.64Å; I199-E282 WeakPolarHBondContact CD1-O 3.49Å
200	P	86	Confident	90.5	Very high	100 Å²	100	51.9 Å²	51.9	65%	0.649	26%	0.262	S	S	*	.	S	Bend	cis	-65.9	142.2	-5.5	27	-34.1	0	0	0	112.3	L198 R236	L198-P200 CarbonylContact O-C 3.55Å; P200-R236 PolarHBondContact O-NE 3.48Å; P200-R236 VanDerWaalsContact O-NE 3.14Å; P200-R236 PolarHBondContact O-NH2 3.32Å
201	D	87	Confident	91.2	Very high	26 Å²	26	59.2 Å²	59.2	14%	0.139	29%	0.293	C	S	.	.			trans	-126.4	70.8	177.7	-161.2	-1.4	0	0	0	111	L198 K203 N204 E205 T206 R236	L198-D201 VanDerWaalsContact O-CB 3.26Å; L198-D201 WeakPolarHBondContact O-CB 3.25Å; D201-K203 PolarHBondContact O-N 3.49Å; D201-K203 VanDerWaalsContact O-N 3.08Å; D201-N204 VanDerWaalsContact CG-CA 3.45Å; D201-N204 PolarHBondContact O-N 3.14Å; D201-N204 PolarHBondContact OD1-N 3.49Å; D201-N204 VanDerWaalsContact OD2-C 3.31Å; D201-N204 WeakPolarHBondContact OD2-CA 3.47Å; D201-E205 PolarHBondContact OD1-N 2.82Å; D201-E205 VanDerWaalsContact OD1-N 3.16Å; D201-E205 PolarHBondContact OD2-N 2.88Å; D201-T206 WeakPolarHBondContact OD2-CB 3.39Å; D201-T206 PolarHBondContact OD2-N 2.9Å; D201-T206 PolarHBondContact OD2-OG1 3.42Å; D201-R236 IonicContact OD1-NH2 2.91Å
202	P	78.5	Confident	91.4	Very high	126 Å²	126	61.1 Å²	61.1	82%	0.818	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-24	-170.4	24.5	-34.1	0	0	0	113.5
203	K	80.8	Confident	91.3	Very high	156 Å²	156	63.2 Å²	63.2	68%	0.678	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	-1.6	178.1	-59.5	-174.3	-176.8	-177.8	0	113.4	D201 E205	D201-K203 PolarHBondContact O-N 3.49Å; D201-K203 VanDerWaalsContact O-N 3.08Å; K203-E205 HydrophobicContact CB-CG 3.69Å; K203-E205 WeakPolarHBondContact CB-OE1 3.31Å; K203-E205 WeakPolarHBondContact CD-OE1 3.13Å; K203-E205 PolarHBondContact O-N 3.35Å
204	N	80.7	Confident	91	Very high	92 Å²	92	70 Å²	70	49%	0.492	34%	0.337	S	S	.	.			trans	55.3	30.6	-178.6	-152.1	20.5	0	0	0	113.4	D201	D201-N204 VanDerWaalsContact CG-CA 3.45Å; D201-N204 PolarHBondContact O-N 3.14Å; D201-N204 PolarHBondContact OD1-N 3.49Å; D201-N204 VanDerWaalsContact OD2-C 3.31Å; D201-N204 WeakPolarHBondContact OD2-CA 3.47Å
205	E	86.9	Confident	90.3	Very high	139 Å²	139	72.4 Å²	72.4	65%	0.65	35%	0.354	S	S	*	.			trans	-82.1	-20.3	-172.4	-74.2	174.3	-173.6	0	0	112.4	D201 K203	D201-E205 PolarHBondContact OD1-N 2.82Å; D201-E205 VanDerWaalsContact OD1-N 3.16Å; D201-E205 PolarHBondContact OD2-N 2.88Å; K203-E205 HydrophobicContact CB-CG 3.69Å; K203-E205 WeakPolarHBondContact CB-OE1 3.31Å; K203-E205 WeakPolarHBondContact CD-OE1 3.13Å; K203-E205 PolarHBondContact O-N 3.35Å
206	T	89.6	Confident	89.3	Confident	28 Å²	28	74.1 Å²	74.1	17%	0.172	36%	0.364	C	S	.	.	S	Bend	trans	-94.6	-4.8	-175.1	68.7	0	0	0	0	113.2	L198 D201 Q208 F227	L198-T206 HydrophobicContact CB-CG2 4.27Å; L198-T206 HydrophobicContact CD1-CG2 4.43Å; L198-T206 PolarHBondContact N-OG1 3.21Å; D201-T206 WeakPolarHBondContact OD2-CB 3.39Å; D201-T206 PolarHBondContact OD2-N 2.9Å; D201-T206 PolarHBondContact OD2-OG1 3.42Å; T206-Q208 PolarHBondContact O-N 3.25Å; T206-F227 WeakPolarHBondContact O-CE1 3.28Å
207	K	93.8	Very high	88.1	Confident	98 Å²	98	75.7 Å²	75.7	43%	0.426	37%	0.372	S	S	.	.			trans	-63.8	122.1	-174.1	179.7	179.4	166.1	-177.8	0	112.5	K195 L196	K195-K207 HydrophobicContact CD-CD 4.09Å; K195-K207 HydrophobicContact CD-CG 4.2Å; K195-K207 HydrophobicContact CG-CD 4.38Å; K195-K207 HydrophobicContact CG-CG 3.99Å; L196-K207 CarbonylContact O-C 3.6Å; L196-K207 WeakPolarHBondContact O-CA 3.43Å
208	Q	95.5	Very high	87.6	Confident	75 Å²	75	77.6 Å²	77.6	35%	0.35	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	159.9	172.1	-62.8	-171.8	68	0	0	109.8	K195 L196 T206 I225 V226	K195-Q208 CarbonylContact C-O 3.5Å; K195-Q208 WeakPolarHBondContact CA-O 3.31Å; L196-Q208 PolarHBondContact N-O 2.83Å; L196-Q208 PolarHBondContact O-N 2.93Å; T206-Q208 PolarHBondContact O-N 3.25Å; Q208-I225 HydrophobicContact CB-CD1 4.38Å; Q208-I225 HydrophobicContact CB-CG2 3.76Å; Q208-I225 HydrophobicContact CG-CG2 4.24Å; Q208-V226 PolarHBondContact NE2-O 3.44Å; Q208-V226 VanDerWaalsContact NE2-O 3.11Å
209	K	95.1	Very high	87.4	Confident	135 Å²	135	77.4 Å²	77.4	59%	0.587	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-146.8	151.7	179.8	63.7	175.5	-178.4	173.5	0	112.4	Y193 V194	Y193-K209 HydrophobicContact CD2-CB 4.2Å; Y193-K209 HydrophobicContact CD2-CD 4.27Å; Y193-K209 HydrophobicContact CE2-CD 4.27Å; V194-K209 CarbonylContact O-C 2.93Å; V194-K209 WeakPolarHBondContact O-CA 3.42Å; V194-K209 WeakPolarHBondContact O-CB 3.44Å
210	T	96.8	Very high	87.7	Confident	7 Å²	7	84.3 Å²	84.3	4%	0.043	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-77.8	173.8	171.3	67	0	0	0	0	111.2	V175 V194 W221 E223 I225	V175-T210 HydrophobicContact CB-CG2 4.16Å; V175-T210 HydrophobicContact CG1-CG2 4.39Å; V175-T210 HydrophobicContact CG2-CG2 4.14Å; V194-T210 HydrophobicContact CB-CG2 3.97Å; V194-T210 PolarHBondContact N-OG1 3.46Å; V194-T210 PolarHBondContact O-N 2.72Å; T210-W221 PolarHBondContact OG1-NE1 2.92Å; T210-E223 HydrophobicContact CG2-CB 4.18Å; T210-I225 HydrophobicContact CG2-CD1 4.05Å
211	K	93.8	Very high	88.1	Confident	153 Å²	153	80.3 Å²	80.3	67%	0.665	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-66.3	152.1	164.5	-62.8	172.9	-175.7	173.6	0	110.2	W221 E223	K211-W221 PolarHBondContact O-NE1 3.39Å; K211-E223 WeakPolarHBondContact CB-OE1 3.26Å; K211-E223 WeakPolarHBondContact CG-OE1 3.43Å; K211-E223 PolarHBondContact N-OE1 3.39Å; K211-E223 PolarHBondContact N-OE2 2.88Å
212	R	92.4	Very high	88.5	Confident	54 Å²	54	81.9 Å²	81.9	20%	0.204	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-74.2	139.9	166.8	162.6	-169.9	169.6	-168.1	9.5	109.6	D191 W245	D191-R212 HydrophobicContact CB-CG 4.13Å; D191-R212 VanDerWaalsContact CG-NH2 3.32Å; D191-R212 IonicContact OD1-NE 2.72Å; D191-R212 IonicContact OD1-NH2 2.82Å; D191-R212 IonicContact OD2-CZ 2.8Å; D191-R212 IonicContact OD2-NE 2.81Å; D191-R212 PolarHBondContact OD2-NE 3.46Å; D191-R212 IonicContact OD2-NH2 3.22Å; D191-R212 PolarHBondContact OD2-NH2 2.96Å; R212-W245 HydrophobicContact CG-CB 4.3Å
213	I	92.5	Very high	89.4	Confident	43 Å²	43	78 Å²	78	22%	0.221	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-103.7	136.3	164.1	-56.8	-57.8	0	0	0	107.6	D191 P192 N216 P219	D191-I213 CarbonylContact C-O 3.23Å; D191-I213 VanDerWaalsContact C-O 3.23Å; D191-I213 WeakPolarHBondContact CA-O 3.15Å; P192-I213 VanDerWaalsContact CD-O 3.31Å; P192-I213 WeakPolarHBondContact CD-O 3.33Å; P192-I213 PolarHBondContact O-N 2.99Å; I213-N216 HydrophobicContact CG2-CB 3.79Å; I213-P219 HydrophobicContact CB-CB 3.87Å; I213-P219 HydrophobicContact CG1-CB 3.85Å; I213-P219 HydrophobicContact CG2-CB 4.08Å
214	Y	90.3	Very high	90.1	Very high	160 Å²	160	74.3 Å²	74.3	63%	0.627	35%	0.351	S	S	*	.	S	Bend	trans	-86.3	132.4	-174.9	-66.9	-101.8	0	0	0	111.3	D191 N216	D191-Y214 WeakPolarHBondContact OD1-CA 3.44Å; Y214-N216 PolarHBondContact O-N 3.45Å
215	S	82.9	Confident	90.9	Very high	52 Å²	52	70.5 Å²	70.5	36%	0.364	33%	0.33	S	S	.	.	S	Bend	trans	44.5	57.3	168.5	-56.2	0	0	0	0	113	N187 L189 S190 D191	N187-S215 PolarHBondContact ND2-OG 3.11Å; L189-S215 WeakPolarHBondContact CD1-O 3.35Å; S190-S215 CarbonylContact O-C 3.35Å; S190-S215 WeakPolarHBondContact O-CA 3.47Å; S190-S215 PolarHBondContact O-N 2.98Å; S190-S215 VanDerWaalsContact O-N 3.07Å; D191-S215 PolarHBondContact OD1-N 3.5Å
216	N	74.9	Confident	91.3	Very high	57 Å²	57	66.9 Å²	66.9	31%	0.305	32%	0.317	S	S	.	.			trans	-147.3	122.7	-175.1	-167.2	-16.7	0	0	0	112.1	S190 P192 I213 Y214 N218	S190-N216 PolarHBondContact O-N 3.49Å; P192-N216 WeakPolarHBondContact CD-O 3.41Å; P192-N216 VanDerWaalsContact CG-O 3.31Å; P192-N216 WeakPolarHBondContact CG-O 3.18Å; I213-N216 HydrophobicContact CG2-CB 3.79Å; Y214-N216 PolarHBondContact O-N 3.45Å; N216-N218 WeakPolarHBondContact OD1-CA 3.45Å; N216-N218 PolarHBondContact OD1-N 3.37Å; N216-N218 PolarHBondContact OD1-O 3.03Å
217	L	71.9	Confident	91.6	Very high	32 Å²	32	65.8 Å²	65.8	17%	0.168	31%	0.31	C	S	.	.	S	Bend	trans	-89	-5.5	176.2	-56.6	-177.1	0	0	0	113.7	N180 L181 P183 L189	N180-L217 PolarHBondContact N-O 2.85Å; L181-L217 HydrophobicContact CB-CB 4.43Å; L181-L217 WeakPolarHBondContact CB-O 3.48Å; L181-L217 WeakPolarHBondContact CG-O 3.44Å; L181-L217 PolarHBondContact N-O 3.42Å; L181-L217 WeakPolarHBondContact O-CD2 3.43Å; P183-L217 HydrophobicContact CB-CD1 4.26Å; P183-L217 HydrophobicContact CB-CD2 4.31Å; L189-L217 HydrophobicContact CD2-CD1 4.33Å; L189-L217 HydrophobicContact CD2-CG 4.04Å
218	N	85.6	Confident	91.6	Very high	80 Å²	80	68.8 Å²	68.8	43%	0.428	32%	0.323	S	S	.	.	S	Bend	trans	-127	57.4	175.4	-57.1	-80.6	0	0	0	110.4	G178 K179 N180 N216	G178-N218 CarbonylContact O-C 3.6Å; G178-N218 WeakPolarHBondContact O-CA 3.46Å; K179-N218 WeakPolarHBondContact CA-OD1 3.5Å; N180-N218 PolarHBondContact N-OD1 3.29Å; N216-N218 WeakPolarHBondContact OD1-CA 3.45Å; N216-N218 PolarHBondContact OD1-N 3.37Å; N216-N218 PolarHBondContact OD1-O 3.03Å
219	P	91	Very high	91.5	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	31%	0.31	C	S	.	.			trans	-68.8	147.9	-173.7	31.9	-40	0	0	0	111.8	E177 G178 L181 P192 I213 W221	E177-P219 CarbonylContact C-O 3.59Å; E177-P219 WeakPolarHBondContact CA-O 3.42Å; E177-P219 WeakPolarHBondContact CB-O 3.42Å; G178-P219 PolarHBondContact N-O 2.96Å; L181-P219 VanDerWaalsContact CD1-CD 3.48Å; L181-P219 HydrophobicContact CD1-CG 3.48Å; L181-P219 VanDerWaalsContact CD1-CG 3.48Å; P192-P219 HydrophobicContact CB-CG 4.33Å; P192-P219 HydrophobicContact CG-CB 3.77Å; P192-P219 HydrophobicContact CG-CG 3.58Å; I213-P219 HydrophobicContact CB-CB 3.87Å; I213-P219 HydrophobicContact CG1-CB 3.85Å; I213-P219 HydrophobicContact CG2-CB 4.08Å; P219-W221 HydrophobicContact CB-CD2 4.38Å; P219-W221 HydrophobicContact CB-CE3 4.41Å; P219-W221 HydrophobicContact CB-CH2 3.91Å; P219-W221 HydrophobicContact CB-CZ2 3.78Å; P219-W221 HydrophobicContact CB-CZ3 4.19Å; P219-W221 HydrophobicContact CG-CE3 4.22Å; P219-W221 HydrophobicContact CG-CH2 3.11Å; P219-W221 HydrophobicContact CG-CZ2 3.44Å; P219-W221 VanDerWaalsContact CG-CZ2 3.44Å; P219-W221 HydrophobicContact CG-CZ3 3.53Å
220	R	94.9	Very high	91.3	Very high	158 Å²	158	65.7 Å²	65.7	60%	0.596	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.5	112.4	171.3	-173.9	166.3	174.1	174.8	0.8	108.9	E177 D222	E177-R220 HydrophobicContact CB-CB 4.24Å; E177-R220 HydrophobicContact CB-CG 4.21Å; R220-D222 IonicContact CZ-OD2 3.19Å; R220-D222 VanDerWaalsContact CZ-OD2 3.31Å; R220-D222 IonicContact NE-OD2 3.47Å; R220-D222 PolarHBondContact NE-OD2 2.76Å; R220-D222 IonicContact NH2-OD2 2.7Å; R220-D222 PolarHBondContact NH2-OD2 3.29Å
221	W	96.3	Very high	90.8	Very high	16 Å²	16	70.8 Å²	70.8	6%	0.061	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	-45.7	-178.5	-65.2	-82.2	0	0	0	111.5	L160 V175 V176 L181 P192 V194 T210 K211 P219 E223	L160-W221 HydrophobicContact CD1-CE3 4.29Å; L160-W221 HydrophobicContact CD1-CH2 4.04Å; L160-W221 HydrophobicContact CD1-CZ3 3.43Å; L160-W221 VanDerWaalsContact CD1-CZ3 3.43Å; V175-W221 HydrophobicContact CG1-CB 4.38Å; V175-W221 HydrophobicContact CG1-CD2 4.15Å; V175-W221 HydrophobicContact CG1-CE3 3.73Å; V175-W221 HydrophobicContact CG1-CG 4.45Å; V175-W221 HydrophobicContact CG1-CZ3 4.31Å; V176-W221 PolarHBondContact O-N 3.23Å; L181-W221 HydrophobicContact CD1-CH2 4.19Å; P192-W221 HydrophobicContact CB-CH2 4.44Å; P192-W221 HydrophobicContact CB-CZ2 3.9Å; P192-W221 HydrophobicContact CG-CZ2 4.11Å; P192-W221 PolarHBondContact O-NE1 3.38Å; V194-W221 HydrophobicContact CG2-CD2 4.17Å; V194-W221 HydrophobicContact CG2-CE3 4.21Å; V194-W221 HydrophobicContact CG2-CH2 3.68Å; V194-W221 HydrophobicContact CG2-CZ2 3.69Å; V194-W221 HydrophobicContact CG2-CZ3 3.97Å; T210-W221 PolarHBondContact OG1-NE1 2.92Å; K211-W221 PolarHBondContact O-NE1 3.39Å; P219-W221 HydrophobicContact CB-CD2 4.38Å; P219-W221 HydrophobicContact CB-CE3 4.41Å; P219-W221 HydrophobicContact CB-CH2 3.91Å; P219-W221 HydrophobicContact CB-CZ2 3.78Å; P219-W221 HydrophobicContact CB-CZ3 4.19Å; P219-W221 HydrophobicContact CG-CE3 4.22Å; P219-W221 HydrophobicContact CG-CH2 3.11Å; P219-W221 HydrophobicContact CG-CZ2 3.44Å; P219-W221 VanDerWaalsContact CG-CZ2 3.44Å; P219-W221 HydrophobicContact CG-CZ3 3.53Å; W221-E223 HydrophobicContact CB-CG 4.48Å; W221-E223 PolarHBondContact O-N 3.35Å
222	D	94.8	Very high	90.4	Very high	58 Å²	58	67.3 Å²	67.3	31%	0.31	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	51.1	33.7	-174.2	-93.2	-53.2	0	0	0	113.7	K174 V175 V176 R220	K174-D222 VanDerWaalsContact CE-OD1 3.27Å; K174-D222 WeakPolarHBondContact CE-OD1 3.4Å; K174-D222 IonicContact NZ-OD1 3.52Å; K174-D222 PolarHBondContact NZ-OD1 3.03Å; V175-D222 WeakPolarHBondContact O-CA 3.25Å; V175-D222 PolarHBondContact O-N 2.79Å; V175-D222 VanDerWaalsContact O-N 3.08Å; V176-D222 PolarHBondContact O-N 3.25Å; R220-D222 IonicContact CZ-OD2 3.19Å; R220-D222 VanDerWaalsContact CZ-OD2 3.31Å; R220-D222 IonicContact NE-OD2 3.47Å; R220-D222 PolarHBondContact NE-OD2 2.76Å; R220-D222 IonicContact NH2-OD2 2.7Å; R220-D222 PolarHBondContact NH2-OD2 3.29Å
223	E	96.4	Very high	90.2	Very high	45 Å²	45	65 Å²	65	21%	0.21	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	139.8	-177.3	-73.3	-176.3	-122	0	0	111.5	K174 V175 T210 K211 W221	K174-E223 CarbonylContact C-O 3.6Å; K174-E223 WeakPolarHBondContact CA-O 3.47Å; V175-E223 PolarHBondContact N-O 3.14Å; V175-E223 PolarHBondContact O-N 3.03Å; V175-E223 VanDerWaalsContact O-N 3.09Å; T210-E223 HydrophobicContact CG2-CB 4.18Å; K211-E223 WeakPolarHBondContact CB-OE1 3.26Å; K211-E223 WeakPolarHBondContact CG-OE1 3.43Å; K211-E223 PolarHBondContact N-OE1 3.39Å; K211-E223 PolarHBondContact N-OE2 2.88Å; W221-E223 HydrophobicContact CB-CG 4.48Å; W221-E223 PolarHBondContact O-N 3.35Å
224	T	96.8	Very high	90	Very high	79 Å²	79	68.1 Å²	68.1	49%	0.485	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	122.8	175.3	-54.8	0	0	0	0	109.8	E172 V173 V226	E172-T224 HydrophobicContact CB-CG2 4.47Å; V173-T224 WeakPolarHBondContact O-CA 3.43Å; T224-V226 HydrophobicContact CG2-CG2 4.42Å
225	I	96.3	Very high	89.7	Confident	12 Å²	12	67.4 Å²	67.4	6%	0.062	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	132.3	177.8	-73.2	169.1	0	0	0	108.3	V173 L196 Q208 T210 F227	V173-I225 PolarHBondContact N-O 2.87Å; V173-I225 PolarHBondContact O-N 2.83Å; L196-I225 HydrophobicContact CD1-CD1 3.56Å; Q208-I225 HydrophobicContact CB-CD1 4.38Å; Q208-I225 HydrophobicContact CB-CG2 3.76Å; Q208-I225 HydrophobicContact CG-CG2 4.24Å; T210-I225 HydrophobicContact CG2-CD1 4.05Å; I225-F227 HydrophobicContact CG2-CD2 4.21Å; I225-F227 HydrophobicContact CG2-CE2 3.6Å; I225-F227 HydrophobicContact CG2-CZ 4.03Å
226	V	96.3	Very high	90.2	Very high	62 Å²	62	66.7 Å²	66.7	38%	0.376	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	129.3	-175.7	-173.6	0	0	0	0	109.8	K170 L171 E172 Q208 T224	K170-V226 HydrophobicContact CB-CG1 4.16Å; K170-V226 HydrophobicContact CD-CG1 4.37Å; K170-V226 HydrophobicContact CG-CG1 4.4Å; L171-V226 WeakPolarHBondContact O-CA 3.4Å; E172-V226 HydrophobicContact CG-CG1 4.27Å; E172-V226 HydrophobicContact CG-CG2 4.09Å; Q208-V226 PolarHBondContact NE2-O 3.44Å; Q208-V226 VanDerWaalsContact NE2-O 3.11Å; T224-V226 HydrophobicContact CG2-CG2 4.42Å
227	F	95.7	Very high	91.1	Very high	6 Å²	6	66.5 Å²	66.5	3%	0.026	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	129.3	172.8	-65.3	-96.1	0	0	0	109.5	K170 L171 V173 L196 L198 T206 I225 L229 L238	K170-F227 WeakPolarHBondContact CA-O 3.23Å; L171-F227 HydrophobicContact CB-CB 4.2Å; L171-F227 HydrophobicContact CD2-CD2 4.41Å; L171-F227 HydrophobicContact CG-CD2 4.45Å; L171-F227 PolarHBondContact N-O 2.84Å; L171-F227 PolarHBondContact O-N 3.49Å; V173-F227 HydrophobicContact CG2-CD2 4.33Å; V173-F227 HydrophobicContact CG2-CE2 4.29Å; L196-F227 HydrophobicContact CB-CE2 4.02Å; L196-F227 HydrophobicContact CB-CZ 3.65Å; L196-F227 HydrophobicContact CD2-CE2 4.45Å; L198-F227 HydrophobicContact CD1-CB 4.46Å; L198-F227 HydrophobicContact CD1-CD1 4.12Å; L198-F227 HydrophobicContact CG-CD1 3.94Å; L198-F227 HydrophobicContact CG-CE1 4.26Å; T206-F227 WeakPolarHBondContact O-CE1 3.28Å; I225-F227 HydrophobicContact CG2-CD2 4.21Å; I225-F227 HydrophobicContact CG2-CE2 3.6Å; I225-F227 HydrophobicContact CG2-CZ 4.03Å; F227-L229 HydrophobicContact CB-CD2 4.49Å; F227-L229 PolarHBondContact O-N 3.42Å; F227-L238 HydrophobicContact CD2-CD1 4.35Å; F227-L238 HydrophobicContact CE2-CD1 3.8Å; F227-L238 HydrophobicContact CZ-CD1 4.1Å
228	K	94.3	Very high	92.3	Very high	161 Å²	161	65 Å²	65	70%	0.7	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.1	110.5	168.8	-171.7	175.2	-175.4	176.9	0	108.9	D169	D169-K228 CarbonylContact O-C 3.58Å; D169-K228 VanDerWaalsContact OD2-CE 3.24Å; D169-K228 WeakPolarHBondContact OD2-CE 3.47Å
229	L	93.2	Very high	92.8	Very high	13 Å²	13	61.2 Å²	61.2	7%	0.068	30%	0.304	C	S	.	.			trans	-81.4	132	-176.5	-60.6	-178.2	0	0	0	111.2	V166 D169 L171 L198 F227 D233 V261 M265	V166-L229 HydrophobicContact CG1-CD1 3.89Å; V166-L229 HydrophobicContact CG2-CD1 4.45Å; D169-L229 PolarHBondContact O-N 3.06Å; L171-L229 HydrophobicContact CB-CD1 3.92Å; L171-L229 HydrophobicContact CB-CD2 3.95Å; L171-L229 HydrophobicContact CB-CG 3.95Å; L171-L229 HydrophobicContact CD2-CD2 4.34Å; L198-L229 HydrophobicContact CD1-CD2 4Å; F227-L229 HydrophobicContact CB-CD2 4.49Å; F227-L229 PolarHBondContact O-N 3.42Å; L229-D233 HydrophobicContact CD2-CB 4.26Å; L229-V261 HydrophobicContact CD1-CG1 3.94Å; L229-V261 HydrophobicContact CD2-CG1 4.15Å; L229-M265 HydrophobicContact CD1-CE 3.54Å
230	K	91.2	Very high	93.1	Very high	132 Å²	132	61.2 Å²	61.2	57%	0.574	30%	0.304	S	S	*	.			trans	-88.1	158.6	165.9	-61.6	175.3	-175.3	172.6	0	109.5	S232 D233	K230-S232 PolarHBondContact O-N 2.92Å; K230-S232 VanDerWaalsContact O-N 3.14Å; K230-D233 WeakPolarHBondContact CB-OD2 3.43Å; K230-D233 PolarHBondContact N-OD2 3Å; K230-D233 WeakPolarHBondContact O-CB 3.36Å; K230-D233 PolarHBondContact O-N 3.15Å
231	P	85.1	Confident	93.2	Very high	114 Å²	114	54.2 Å²	54.2	74%	0.74	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-54.8	-33.1	175	-27.5	35.6	0	0	0	114	D233 K234	P231-D233 VanDerWaalsContact C-N 3.27Å; P231-D233 PolarHBondContact O-N 3.27Å; P231-K234 WeakPolarHBondContact O-CG 3.43Å
232	S	85.6	Confident	93.2	Very high	79 Å²	79	53.4 Å²	53.4	55%	0.552	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-72.4	-13.7	176.2	57.4	0	0	0	0	114.3	K230 K234	K230-S232 PolarHBondContact O-N 2.92Å; K230-S232 VanDerWaalsContact O-N 3.14Å; S232-K234 PolarHBondContact O-N 3.48Å
233	D	89.4	Confident	93.1	Very high	6 Å²	6	52.6 Å²	52.6	3%	0.032	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-80.5	-5.5	-178.8	-63.4	-33.3	0	0	0	112.5	L229 K230 P231 D235 R236 V261	L229-D233 HydrophobicContact CD2-CB 4.26Å; K230-D233 WeakPolarHBondContact CB-OD2 3.43Å; K230-D233 PolarHBondContact N-OD2 3Å; K230-D233 WeakPolarHBondContact O-CB 3.36Å; K230-D233 PolarHBondContact O-N 3.15Å; P231-D233 VanDerWaalsContact C-N 3.27Å; P231-D233 PolarHBondContact O-N 3.27Å; D233-D235 PolarHBondContact O-N 3.42Å; D233-R236 WeakPolarHBondContact O-CB 3.24Å; D233-R236 PolarHBondContact O-N 2.96Å; D233-R236 VanDerWaalsContact O-N 3.08Å; D233-R236 WeakPolarHBondContact OD1-CD 3.25Å; D233-R236 IonicContact OD1-CZ 3.73Å; D233-R236 IonicContact OD1-NE 3.36Å; D233-R236 IonicContact OD1-NH1 2.8Å; D233-R236 PolarHBondContact OD1-NH1 3.43Å; D233-V261 VanDerWaalsContact O-CB 3.29Å; D233-V261 WeakPolarHBondContact O-CB 3.39Å; D233-V261 WeakPolarHBondContact O-CG1 3.48Å
234	K	86.5	Confident	92.7	Very high	108 Å²	108	50.4 Å²	50.4	47%	0.47	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-56.2	-36.1	175.7	-73.2	-175.7	175.9	-174.4	0	112.5	P231 S232 R236 S262 M265	P231-K234 WeakPolarHBondContact O-CG 3.43Å; S232-K234 PolarHBondContact O-N 3.48Å; K234-R236 VanDerWaalsContact C-N 3.32Å; K234-S262 WeakPolarHBondContact O-CB 3.4Å; K234-S262 PolarHBondContact O-N 2.98Å; K234-S262 PolarHBondContact O-OG 2.8Å; K234-M265 HydrophobicContact CD-SD 4.36Å; K234-M265 HydrophobicContact CG-CE 3.81Å; K234-M265 HydrophobicContact CG-SD 3.82Å
235	D	85	Confident	92.3	Very high	145 Å²	145	50.6 Å²	50.6	78%	0.775	25%	0.25	S	C	*	.	G	3₁₀ helix	trans	-90.5	4	-177.6	-51.5	-45.3	0	0	0	112.8	D233	D233-D235 PolarHBondContact O-N 3.42Å
236	R	93	Very high	91.4	Very high	38 Å²	38	51.1 Å²	51.1	14%	0.143	25%	0.252	C	S	.	.			trans	-91.7	169.2	177.7	-64.9	175.2	81.4	-176.8	4.5	111.3	L198 I199 P200 D201 D233 K234 V261	L198-R236 VanDerWaalsContact CB-CZ 3.44Å; L198-R236 PolarHBondContact O-NE 3.19Å; L198-R236 PolarHBondContact O-NH2 2.75Å; I199-R236 CarbonylContact O-C 3.48Å; I199-R236 VanDerWaalsContact O-CA 3.29Å; I199-R236 WeakPolarHBondContact O-CA 3.36Å; I199-R236 VanDerWaalsContact O-CB 3.25Å; I199-R236 WeakPolarHBondContact O-CB 3.48Å; P200-R236 PolarHBondContact O-NE 3.48Å; P200-R236 VanDerWaalsContact O-NE 3.14Å; P200-R236 PolarHBondContact O-NH2 3.32Å; D201-R236 IonicContact OD1-NH2 2.91Å; D233-R236 WeakPolarHBondContact O-CB 3.24Å; D233-R236 PolarHBondContact O-N 2.96Å; D233-R236 VanDerWaalsContact O-N 3.08Å; D233-R236 WeakPolarHBondContact OD1-CD 3.25Å; D233-R236 IonicContact OD1-CZ 3.73Å; D233-R236 IonicContact OD1-NE 3.36Å; D233-R236 IonicContact OD1-NH1 2.8Å; D233-R236 PolarHBondContact OD1-NH1 3.43Å; K234-R236 VanDerWaalsContact C-N 3.32Å; R236-V261 HydrophobicContact CB-CG2 4.39Å; R236-V261 VanDerWaalsContact O-CB 3.31Å; R236-V261 WeakPolarHBondContact O-CB 3.3Å; R236-V261 VanDerWaalsContact O-CG2 3.27Å; R236-V261 WeakPolarHBondContact O-CG2 3.33Å; R236-V261 PolarHBondContact O-N 3.29Å
237	R	95	Very high	89.9	Confident	52 Å²	52	58.7 Å²	58.7	20%	0.196	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	142.6	172.8	-47.5	-177.9	60.4	70.4	9.6	110.8	L198 I199 S239 S258 F259 Y283	L198-R237 CarbonylContact C-O 3.55Å; L198-R237 VanDerWaalsContact CA-O 3.27Å; L198-R237 WeakPolarHBondContact CA-O 3.32Å; I199-R237 HydrophobicContact CD1-CB 4.21Å; I199-R237 HydrophobicContact CG1-CB 3.74Å; I199-R237 WeakPolarHBondContact CG1-O 3.31Å; I199-R237 PolarHBondContact N-O 2.77Å; I199-R237 PolarHBondContact O-N 3.34Å; R237-S239 PolarHBondContact O-N 3.45Å; R237-S258 PolarHBondContact NE-OG 2.78Å; R237-S258 PolarHBondContact NH2-O 3.44Å; R237-S258 VanDerWaalsContact NH2-O 3.13Å; R237-S258 PolarHBondContact NH2-OG 3.06Å; R237-F259 CarbonylContact C-O 3.25Å; R237-F259 WeakPolarHBondContact CA-O 3.47Å; R237-F259 WeakPolarHBondContact CB-O 3.47Å; R237-Y283 PolarHBondContact NH2-O 3.4Å
238	L	96.7	Very high	87.6	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	110.6	164.2	174.2	70.2	0	0	0	108.3	L171 V173 L196 L198 F227 V240 S258 F259 L264	L171-L238 HydrophobicContact CD2-CB 4.28Å; L171-L238 HydrophobicContact CD2-CD1 4.21Å; L171-L238 HydrophobicContact CD2-CD2 4.24Å; L171-L238 HydrophobicContact CD2-CG 4.47Å; V173-L238 HydrophobicContact CB-CD2 4.45Å; V173-L238 HydrophobicContact CG1-CD2 4.19Å; V173-L238 HydrophobicContact CG2-CD1 4.13Å; V173-L238 HydrophobicContact CG2-CD2 3.42Å; V173-L238 VanDerWaalsContact CG2-CD2 3.42Å; V173-L238 HydrophobicContact CG2-CG 4.42Å; L196-L238 HydrophobicContact CB-CD1 4.41Å; L196-L238 HydrophobicContact CD2-CD1 4.28Å; L198-L238 HydrophobicContact CD2-CB 4.38Å; L198-L238 HydrophobicContact CD2-CD1 4.29Å; F227-L238 HydrophobicContact CD2-CD1 4.35Å; F227-L238 HydrophobicContact CE2-CD1 3.8Å; F227-L238 HydrophobicContact CZ-CD1 4.1Å; L238-V240 HydrophobicContact CD2-CG2 4.22Å; L238-V240 HydrophobicContact CG-CG2 4.11Å; L238-S258 CarbonylContact O-C 3.5Å; L238-S258 WeakPolarHBondContact O-CA 3.45Å; L238-S258 WeakPolarHBondContact O-CB 3.22Å; L238-F259 HydrophobicContact CB-CB 4.46Å; L238-F259 HydrophobicContact CD2-CD2 4.16Å; L238-F259 PolarHBondContact N-O 2.93Å; L238-F259 PolarHBondContact O-N 2.88Å; L238-L264 HydrophobicContact CB-CD1 4.33Å; L238-L264 HydrophobicContact CD2-CD1 4.07Å
239	S	96.6	Very high	86.4	Confident	2 Å²	2	61.2 Å²	61.2	1%	0.014	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	132.5	170.8	172.9	0	0	0	0	109.8	L196 K197 R237	L196-S239 VanDerWaalsContact CA-O 3.28Å; L196-S239 WeakPolarHBondContact CA-O 3.31Å; K197-S239 WeakPolarHBondContact CE-OG 3.42Å; K197-S239 PolarHBondContact N-O 3.25Å; K197-S239 VanDerWaalsContact N-O 3.12Å; K197-S239 PolarHBondContact O-N 3.14Å; R237-S239 PolarHBondContact O-N 3.45Å
240	V	97.3	Very high	85.4	Confident	0 Å²	0	71.7 Å²	71.7	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	112.4	176.8	-173.1	0	0	0	0	107.7	L160 L162 V194 L196 L238 S256 L257 F259	L160-V240 HydrophobicContact CD2-CG1 3.76Å; L162-V240 HydrophobicContact CD1-CG1 4.17Å; L162-V240 HydrophobicContact CD1-CG2 4.27Å; V194-V240 HydrophobicContact CG1-CG1 3.5Å; L196-V240 HydrophobicContact CD2-CG2 4.11Å; L196-V240 HydrophobicContact CG-CG1 4.47Å; L196-V240 HydrophobicContact CG-CG2 4.45Å; L238-V240 HydrophobicContact CD2-CG2 4.22Å; L238-V240 HydrophobicContact CG-CG2 4.11Å; V240-S256 CarbonylContact O-C 3.59Å; V240-S256 VanDerWaalsContact O-CA 3.22Å; V240-S256 WeakPolarHBondContact O-CA 3.49Å; V240-S256 WeakPolarHBondContact O-CB 3.41Å; V240-L257 HydrophobicContact CB-CD1 3.94Å; V240-L257 HydrophobicContact CB-CG 4.17Å; V240-L257 HydrophobicContact CG2-CD1 4.09Å; V240-L257 PolarHBondContact N-O 2.79Å; V240-L257 PolarHBondContact O-N 3.48Å; V240-F259 HydrophobicContact CG2-CE2 4.49Å
241	E	96.3	Very high	84.9	Confident	10 Å²	10	67.6 Å²	67.6	5%	0.047	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	131.2	-176.8	-55.2	171.4	178.4	0	0	110	V194 K195 K197 W243 F253 G255	V194-E241 CarbonylContact C-O 3.56Å; V194-E241 WeakPolarHBondContact CA-O 3.32Å; K195-E241 HydrophobicContact CB-CB 4.43Å; K195-E241 WeakPolarHBondContact CD-OE2 3.13Å; K195-E241 PolarHBondContact N-O 3.46Å; K195-E241 IonicContact NZ-OE2 2.61Å; K195-E241 PolarHBondContact NZ-OE2 2.79Å; K195-E241 PolarHBondContact O-N 2.77Å; K197-E241 WeakPolarHBondContact CE-OE1 3.43Å; K197-E241 IonicContact NZ-OE1 3.61Å; K197-E241 PolarHBondContact NZ-OE1 2.9Å; E241-W243 WeakPolarHBondContact OE2-CZ2 3.13Å; E241-W243 PolarHBondContact OE2-NE1 3.21Å; E241-F253 HydrophobicContact CB-CE2 4.25Å; E241-F253 HydrophobicContact CG-CE2 4.42Å; E241-G255 CarbonylContact C-O 3.49Å
242	V	95.1	Very high	84.5	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	132	171.8	-169.7	0	0	0	0	108.5	L160 L181 P192 V194 M254 G255 L275	L160-V242 HydrophobicContact CD1-CG2 4.47Å; L160-V242 HydrophobicContact CD2-CG2 4.2Å; L181-V242 HydrophobicContact CD1-CG1 4.25Å; P192-V242 HydrophobicContact CB-CG1 4.16Å; V194-V242 HydrophobicContact CG2-CG2 4.18Å; V242-M254 HydrophobicContact CB-CB 4.19Å; V242-M254 HydrophobicContact CG1-CB 4.15Å; V242-M254 HydrophobicContact CG1-SD 3.79Å; V242-M254 WeakPolarHBondContact O-CB 3.46Å; V242-M254 PolarHBondContact O-N 3.07Å; V242-G255 PolarHBondContact N-O 3.27Å; V242-G255 PolarHBondContact O-N 2.79Å; V242-L275 HydrophobicContact CB-CD1 4.46Å; V242-L275 HydrophobicContact CB-CD2 4.47Å; V242-L275 HydrophobicContact CG2-CD1 3.94Å; V242-L275 HydrophobicContact CG2-CD2 3.56Å; V242-L275 HydrophobicContact CG2-CG 4.44Å
243	W	92.9	Very high	84.3	Confident	40 Å²	40	63.1 Å²	63.1	15%	0.152	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	146	-177.1	-70.3	77.9	0	0	0	110	P192 Y193 K195 E241 N251 D252 F253	P192-W243 CarbonylContact C-O 3.59Å; P192-W243 VanDerWaalsContact CA-O 3.31Å; P192-W243 WeakPolarHBondContact CA-O 3.38Å; Y193-W243 HydrophobicContact CD1-CB 4.05Å; Y193-W243 VanDerWaalsContact CD1-O 3.25Å; Y193-W243 WeakPolarHBondContact CD1-O 3.35Å; Y193-W243 HydrophobicContact CE1-CB 3.37Å; Y193-W243 HydrophobicContact CE1-CG 4.44Å; Y193-W243 HydrophobicContact CE2-CB 4.06Å; Y193-W243 HydrophobicContact CE2-CG 4.49Å; Y193-W243 AromaticContact CZ-CG 3.98Å; Y193-W243 PolarHBondContact N-O 3.01Å; Y193-W243 PolarHBondContact O-N 3.29Å; Y193-W243 WeakPolarHBondContact OH-CB 3.09Å; K195-W243 VanDerWaalsContact NZ-CZ2 3.26Å; E241-W243 WeakPolarHBondContact OE2-CZ2 3.13Å; E241-W243 PolarHBondContact OE2-NE1 3.21Å; W243-N251 HydrophobicContact CE3-CB 4.19Å; W243-N251 VanDerWaalsContact CE3-O 3.23Å; W243-N251 WeakPolarHBondContact CZ3-O 3.2Å; W243-D252 CarbonylContact C-O 3.52Å; W243-D252 VanDerWaalsContact CA-O 3.31Å; W243-D252 WeakPolarHBondContact CA-O 3.44Å; W243-F253 HydrophobicContact CD2-CB 4.44Å; W243-F253 HydrophobicContact CD2-CD2 4.32Å; W243-F253 AromaticContact CE2-CD2 3.76Å; W243-F253 HydrophobicContact CE3-CB 4.08Å; W243-F253 HydrophobicContact CH2-CB 3.95Å; W243-F253 HydrophobicContact CH2-CD2 4.19Å; W243-F253 HydrophobicContact CZ2-CB 4.31Å; W243-F253 AromaticContact CZ2-CD2 3.71Å; W243-F253 HydrophobicContact CZ2-CD2 3.71Å; W243-F253 HydrophobicContact CZ2-CG 4.48Å; W243-F253 HydrophobicContact CZ3-CB 3.82Å
244	D	89.4	Confident	83.9	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	140.3	167.7	-167.1	25.8	0	0	0	109.8	M184 D191 N251 D252 M254	M184-D244 HydrophobicContact CB-CB 3.83Å; M184-D244 WeakPolarHBondContact CB-OD2 3.42Å; M184-D244 HydrophobicContact CG-CB 4.05Å; D191-D244 VanDerWaalsContact CA-OD1 3.27Å; D191-D244 WeakPolarHBondContact CA-OD1 3.28Å; D191-D244 WeakPolarHBondContact CB-OD1 3.44Å; D191-D244 PolarHBondContact N-OD1 2.94Å; D244-N251 VanDerWaalsContact O-CA 3.29Å; D244-N251 WeakPolarHBondContact O-CA 3.44Å; D244-N251 WeakPolarHBondContact O-CB 3.34Å; D244-D252 HydrophobicContact CB-CB 4.29Å; D244-D252 PolarHBondContact N-O 3.34Å; D244-D252 PolarHBondContact O-N 2.84Å; D244-M254 HydrophobicContact CB-CG 4.09Å; D244-M254 HydrophobicContact CB-SD 3.98Å; D244-M254 PolarHBondContact N-SD 3.24Å; D244-M254 VanDerWaalsContact N-SD 3.45Å
245	W	88.6	Confident	83.7	Confident	83 Å²	83	57.7 Å²	57.7	31%	0.314	27%	0.265	S	S	.	.			trans	-97	122.9	178.5	-177	90.3	0	0	0	110	D191 Y193 R212 R247	D191-W245 HydrophobicContact CB-CB 4.14Å; D191-W245 PolarHBondContact O-N 3.47Å; D191-W245 VanDerWaalsContact O-N 3.14Å; Y193-W245 HydrophobicContact CD1-CB 4.04Å; Y193-W245 HydrophobicContact CE1-CB 4.14Å; R212-W245 HydrophobicContact CG-CB 4.3Å; W245-R247 HydrophobicContact CH2-CB 3.82Å; W245-R247 HydrophobicContact CH2-CG 3.95Å; W245-R247 HydrophobicContact CZ3-CB 3.65Å; W245-R247 HydrophobicContact CZ3-CG 4.22Å
246	D	77.5	Confident	84	Confident	22 Å²	22	51 Å²	51	12%	0.118	23%	0.23	C	C	.	.			trans	-107.4	140.6	178.2	-74.7	-79.9	0	0	0	112.3	T249 N251 D252	D246-T249 VanDerWaalsContact CB-OG1 3.23Å; D246-T249 WeakPolarHBondContact CB-OG1 3.16Å; D246-T249 VanDerWaalsContact CG-OG1 3.26Å; D246-T249 PolarHBondContact OD1-OG1 2.9Å; D246-N251 PolarHBondContact N-OD1 3.49Å; D246-N251 WeakPolarHBondContact OD2-CA 3.14Å; D246-D252 PolarHBondContact OD2-N 2.8Å
247	R	62.9	Low	84	Confident	221 Å²	221	49.2 Å²	49.2	83%	0.834	22%	0.223	S	C	*	.	S	Bend	trans	-79.1	-31	177.2	-168.3	170.5	178.7	173.7	-1	113	W245	W245-R247 HydrophobicContact CH2-CB 3.82Å; W245-R247 HydrophobicContact CH2-CG 3.95Å; W245-R247 HydrophobicContact CZ3-CB 3.65Å; W245-R247 HydrophobicContact CZ3-CG 4.22Å
248	T	48.4	Very low	83.9	Confident	133 Å²	133	46.7 Å²	46.7	82%	0.816	21%	0.214	S	C	*	.	S	Bend	trans	-125.3	-13.9	-166.4	46.8	0	0	0	0	114
249	T	68.4	Low	83.7	Confident	88 Å²	88	46.8 Å²	46.8	54%	0.54	21%	0.214	S	C	.	.	S	Bend	trans	-123.6	177.3	-176.2	37.1	0	0	0	0	110.4	D246	D246-T249 VanDerWaalsContact CB-OG1 3.23Å; D246-T249 WeakPolarHBondContact CB-OG1 3.16Å; D246-T249 VanDerWaalsContact CG-OG1 3.26Å; D246-T249 PolarHBondContact OD1-OG1 2.9Å
250	R	72.4	Confident	83.5	Confident	232 Å²	232	47 Å²	47	88%	0.875	22%	0.216	S	C	*	.	P	Polyproline II helix	trans	-72	133.4	170.1	-71.7	-177.4	178.5	177.5	0.6	107.6	D252	R250-D252 PolarHBondContact O-N 3.08Å
251	N	81.1	Confident	83.3	Confident	47 Å²	47	47 Å²	47	25%	0.251	22%	0.216	S	C	.	.	P	Polyproline II helix	trans	-46.2	126.9	172.6	-67.8	9.8	0	0	0	111.4	Y193 W243 D244 D246	Y193-N251 HydrophobicContact CE1-CB 4.49Å; Y193-N251 WeakPolarHBondContact CE1-ND2 3.28Å; Y193-N251 PolarHBondContact OH-ND2 3.48Å; W243-N251 HydrophobicContact CE3-CB 4.19Å; W243-N251 VanDerWaalsContact CE3-O 3.23Å; W243-N251 WeakPolarHBondContact CZ3-O 3.2Å; D244-N251 VanDerWaalsContact O-CA 3.29Å; D244-N251 WeakPolarHBondContact O-CA 3.44Å; D244-N251 WeakPolarHBondContact O-CB 3.34Å; D246-N251 PolarHBondContact N-OD1 3.49Å; D246-N251 WeakPolarHBondContact OD2-CA 3.14Å
252	D	76	Confident	83	Confident	66 Å²	66	48.7 Å²	48.7	35%	0.353	23%	0.229	S	C	.	.	P	Polyproline II helix	trans	-84.4	144.1	-178.2	-71.4	-41.7	0	0	0	113.2	M184 W243 D244 D246 R250	M184-D252 HydrophobicContact CE-CB 3.43Å; M184-D252 VanDerWaalsContact CE-CB 3.43Å; W243-D252 CarbonylContact C-O 3.52Å; W243-D252 VanDerWaalsContact CA-O 3.31Å; W243-D252 WeakPolarHBondContact CA-O 3.44Å; D244-D252 HydrophobicContact CB-CB 4.29Å; D244-D252 PolarHBondContact N-O 3.34Å; D244-D252 PolarHBondContact O-N 2.84Å; D246-D252 PolarHBondContact OD2-N 2.8Å; R250-D252 PolarHBondContact O-N 3.08Å
253	F	82.4	Confident	82.6	Confident	33 Å²	33	53.6 Å²	53.6	15%	0.145	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	126.9	-179.5	174.4	-95.6	0	0	0	110.7	E241 W243 G255 S256 Q278	E241-F253 HydrophobicContact CB-CE2 4.25Å; E241-F253 HydrophobicContact CG-CE2 4.42Å; W243-F253 HydrophobicContact CD2-CB 4.44Å; W243-F253 HydrophobicContact CD2-CD2 4.32Å; W243-F253 AromaticContact CE2-CD2 3.76Å; W243-F253 HydrophobicContact CE3-CB 4.08Å; W243-F253 HydrophobicContact CH2-CB 3.95Å; W243-F253 HydrophobicContact CH2-CD2 4.19Å; W243-F253 HydrophobicContact CZ2-CB 4.31Å; W243-F253 AromaticContact CZ2-CD2 3.71Å; W243-F253 HydrophobicContact CZ2-CD2 3.71Å; W243-F253 HydrophobicContact CZ2-CG 4.48Å; W243-F253 HydrophobicContact CZ3-CB 3.82Å; F253-G255 VanDerWaalsContact CZ-CA 3.43Å; F253-S256 WeakPolarHBondContact CZ-OG 3.42Å; F253-Q278 HydrophobicContact CD1-CB 4.22Å; F253-Q278 HydrophobicContact CE1-CB 3.66Å; F253-Q278 HydrophobicContact CE2-CB 4.27Å; F253-Q278 HydrophobicContact CE2-CG 4.28Å; F253-Q278 HydrophobicContact CZ-CB 3.67Å; F253-Q278 HydrophobicContact CZ-CG 4.15Å
254	M	80.2	Confident	82.5	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	-46.1	-177.5	-57.4	176	78.9	0	0	112.1	R157 L181 I182 M184 S190 P192 V242 D244	R157-M254 WeakPolarHBondContact CD-O 3.47Å; R157-M254 PolarHBondContact NH1-O 3.49Å; L181-M254 HydrophobicContact CB-CE 3.88Å; L181-M254 HydrophobicContact CD1-CE 4.2Å; I182-M254 HydrophobicContact CD1-CB 4.38Å; I182-M254 WeakPolarHBondContact CD1-O 3.38Å; I182-M254 HydrophobicContact CG1-CB 4.17Å; I182-M254 HydrophobicContact CG1-CE 4.34Å; I182-M254 WeakPolarHBondContact O-CE 3.37Å; M184-M254 HydrophobicContact CG-CE 4.25Å; M184-M254 HydrophobicContact CG-CG 3.96Å; S190-M254 WeakPolarHBondContact OG-CE 3.47Å; P192-M254 HydrophobicContact CB-CE 4.2Å; P192-M254 HydrophobicContact CB-SD 3.79Å; V242-M254 HydrophobicContact CB-CB 4.19Å; V242-M254 HydrophobicContact CG1-CB 4.15Å; V242-M254 HydrophobicContact CG1-SD 3.79Å; V242-M254 WeakPolarHBondContact O-CB 3.46Å; V242-M254 PolarHBondContact O-N 3.07Å; D244-M254 HydrophobicContact CB-CG 4.09Å; D244-M254 HydrophobicContact CB-SD 3.98Å; D244-M254 PolarHBondContact N-SD 3.24Å; D244-M254 VanDerWaalsContact N-SD 3.45Å
255	G	82.9	Confident	82.5	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	177.2	165.2	178.9	0	0	0	0	0	112.8	E241 V242 F253 L276	E241-G255 CarbonylContact C-O 3.49Å; V242-G255 PolarHBondContact N-O 3.27Å; V242-G255 PolarHBondContact O-N 2.79Å; F253-G255 VanDerWaalsContact CZ-CA 3.43Å; G255-L276 CarbonylContact C-O 3.57Å; G255-L276 VanDerWaalsContact CA-O 3.23Å; G255-L276 WeakPolarHBondContact CA-O 3.13Å
256	S	90.6	Very high	82.5	Confident	4 Å²	4	60 Å²	60	3%	0.028	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	165.5	179.6	59.9	0	0	0	0	113	V240 F253 L276 C277 G281	V240-S256 CarbonylContact O-C 3.59Å; V240-S256 VanDerWaalsContact O-CA 3.22Å; V240-S256 WeakPolarHBondContact O-CA 3.49Å; V240-S256 WeakPolarHBondContact O-CB 3.41Å; F253-S256 WeakPolarHBondContact CZ-OG 3.42Å; S256-L276 PolarHBondContact N-O 3.01Å; S256-L276 WeakPolarHBondContact O-CA 3.24Å; S256-L276 WeakPolarHBondContact O-CB 3.47Å; S256-L276 PolarHBondContact O-N 3.35Å; S256-C277 PolarHBondContact OG-O 3.34Å; S256-G281 VanDerWaalsContact OG-CA 3.3Å; S256-G281 WeakPolarHBondContact OG-CA 3.47Å
257	L	93.1	Very high	83	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	162.4	168.4	60.8	92.2	0	0	0	109.1	L162 V240 F259 F273 L275 G281 Y284 N285	L162-L257 HydrophobicContact CD1-CD1 3.73Å; L162-L257 HydrophobicContact CD1-CD2 4.26Å; V240-L257 HydrophobicContact CB-CD1 3.94Å; V240-L257 HydrophobicContact CB-CG 4.17Å; V240-L257 HydrophobicContact CG2-CD1 4.09Å; V240-L257 PolarHBondContact N-O 2.79Å; V240-L257 PolarHBondContact O-N 3.48Å; L257-F259 HydrophobicContact CD1-CD2 3.99Å; L257-F259 HydrophobicContact CD1-CE2 3.23Å; L257-F259 HydrophobicContact CD1-CZ 3.67Å; L257-F273 HydrophobicContact CD2-CB 3.69Å; L257-L275 HydrophobicContact CD2-CD2 4.23Å; L257-G281 CarbonylContact C-O 3.51Å; L257-G281 VanDerWaalsContact CA-O 3.28Å; L257-G281 WeakPolarHBondContact CA-O 3.31Å; L257-Y284 CarbonylContact C-O 3.57Å; L257-Y284 WeakPolarHBondContact CA-O 3.31Å; L257-N285 HydrophobicContact CB-CB 4.3Å; L257-N285 HydrophobicContact CD1-CB 4.34Å
258	S	92.7	Very high	84.3	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	153.1	178.2	68.2	0	0	0	0	114	R237 L238 G281 E282 Y283 Y284 N285	R237-S258 PolarHBondContact NE-OG 2.78Å; R237-S258 PolarHBondContact NH2-O 3.44Å; R237-S258 VanDerWaalsContact NH2-O 3.13Å; R237-S258 PolarHBondContact NH2-OG 3.06Å; L238-S258 CarbonylContact O-C 3.5Å; L238-S258 WeakPolarHBondContact O-CA 3.45Å; L238-S258 WeakPolarHBondContact O-CB 3.22Å; S258-G281 VanDerWaalsContact CB-O 3.27Å; S258-G281 WeakPolarHBondContact CB-O 3.18Å; S258-G281 PolarHBondContact N-O 3.45Å; S258-G281 PolarHBondContact OG-O 3.3Å; S258-E282 WeakPolarHBondContact CB-O 2.91Å; S258-E282 VanDerWaalsContact OG-C 3.24Å; S258-E282 PolarHBondContact OG-O 3.3Å; S258-Y283 WeakPolarHBondContact OG-CA 3.48Å; S258-Y283 PolarHBondContact OG-N 3.11Å; S258-Y284 PolarHBondContact N-O 3.04Å; S258-Y284 CarbonylContact O-C 3.4Å; S258-Y284 PolarHBondContact OG-N 3.17Å; S258-N285 WeakPolarHBondContact O-CB 2.93Å; S258-N285 PolarHBondContact O-ND2 3.42Å
259	F	93.7	Very high	86.4	Confident	2 Å²	2	51 Å²	51	1%	0.009	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	138.9	176.6	-59.8	-82.7	0	0	0	110.7	L162 R237 L238 V240 L257 V261 L264 V269 F273 N285	L162-F259 HydrophobicContact CD1-CE2 3.75Å; L162-F259 HydrophobicContact CD1-CZ 4.14Å; R237-F259 CarbonylContact C-O 3.25Å; R237-F259 WeakPolarHBondContact CA-O 3.47Å; R237-F259 WeakPolarHBondContact CB-O 3.47Å; L238-F259 HydrophobicContact CB-CB 4.46Å; L238-F259 HydrophobicContact CD2-CD2 4.16Å; L238-F259 PolarHBondContact N-O 2.93Å; L238-F259 PolarHBondContact O-N 2.88Å; V240-F259 HydrophobicContact CG2-CE2 4.49Å; L257-F259 HydrophobicContact CD1-CD2 3.99Å; L257-F259 HydrophobicContact CD1-CE2 3.23Å; L257-F259 HydrophobicContact CD1-CZ 3.67Å; F259-V261 PolarHBondContact O-N 3.43Å; F259-L264 HydrophobicContact CB-CD1 3.7Å; F259-L264 HydrophobicContact CB-CD2 4Å; F259-L264 HydrophobicContact CB-CG 3.82Å; F259-L264 HydrophobicContact CD1-CD2 4.25Å; F259-L264 HydrophobicContact CG-CD1 4.38Å; F259-L264 HydrophobicContact CG-CD2 4.18Å; F259-V269 HydrophobicContact CD1-CG1 4.39Å; F259-V269 HydrophobicContact CD1-CG2 4.13Å; F259-V269 HydrophobicContact CE1-CB 4.34Å; F259-V269 HydrophobicContact CE1-CG1 4.31Å; F259-V269 HydrophobicContact CE1-CG2 3.82Å; F259-V269 HydrophobicContact CZ-CG2 4.1Å; F259-F273 HydrophobicContact CE1-CD1 4.11Å; F259-F273 AromaticContact CE1-CE1 3.59Å; F259-F273 HydrophobicContact CE1-CE1 3.59Å; F259-F273 HydrophobicContact CE1-CE2 4.42Å; F259-F273 AromaticContact CE1-CZ 3.78Å; F259-F273 HydrophobicContact CE1-CZ 3.78Å; F259-F273 HydrophobicContact CZ-CD1 4Å; F259-F273 HydrophobicContact CZ-CD2 4.18Å; F259-F273 AromaticContact CZ-CE1 3.82Å; F259-F273 HydrophobicContact CZ-CE1 3.82Å; F259-F273 HydrophobicContact CZ-CE2 4Å; F259-F273 HydrophobicContact CZ-CG 4.19Å; F259-F273 AromaticContact CZ-CZ 3.83Å; F259-F273 HydrophobicContact CZ-CZ 3.83Å; F259-N285 HydrophobicContact CD1-CB 4.17Å; F259-N285 WeakPolarHBondContact CD1-ND2 3.3Å; F259-N285 HydrophobicContact CE1-CB 3.8Å; F259-N285 VanDerWaalsContact CE1-CG 3.44Å; F259-N285 WeakPolarHBondContact CE1-OD1 3.28Å; F259-N285 HydrophobicContact CZ-CB 4.15Å
260	G	92.2	Very high	87.6	Confident	6 Å²	6	50.4 Å²	50.4	6%	0.062	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	131.7	169.5	0	0	0	0	0	110.5	S262 E263 L264	G260-S262 VanDerWaalsContact C-N 3.29Å; G260-S262 PolarHBondContact O-N 3.33Å; G260-E263 PolarHBondContact N-OE2 3.42Å; G260-E263 VanDerWaalsContact N-OE2 3.07Å; G260-E263 WeakPolarHBondContact O-CB 3.46Å; G260-E263 PolarHBondContact O-N 3.19Å; G260-L264 WeakPolarHBondContact O-CG 3.22Å; G260-L264 PolarHBondContact O-N 2.79Å
261	V	92.4	Very high	88.5	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-63.2	-39.4	178.4	172.9	0	0	0	0	110.5	L198 L229 D233 R236 F259 E263 L264 M265	L198-V261 HydrophobicContact CD2-CG2 3.88Å; L229-V261 HydrophobicContact CD1-CG1 3.94Å; L229-V261 HydrophobicContact CD2-CG1 4.15Å; D233-V261 VanDerWaalsContact O-CB 3.29Å; D233-V261 WeakPolarHBondContact O-CB 3.39Å; D233-V261 WeakPolarHBondContact O-CG1 3.48Å; R236-V261 HydrophobicContact CB-CG2 4.39Å; R236-V261 VanDerWaalsContact O-CB 3.31Å; R236-V261 WeakPolarHBondContact O-CB 3.3Å; R236-V261 VanDerWaalsContact O-CG2 3.27Å; R236-V261 WeakPolarHBondContact O-CG2 3.33Å; R236-V261 PolarHBondContact O-N 3.29Å; F259-V261 PolarHBondContact O-N 3.43Å; V261-E263 VanDerWaalsContact C-N 3.28Å; V261-E263 PolarHBondContact O-N 2.56Å; V261-L264 PolarHBondContact O-N 2.8Å; V261-M265 HydrophobicContact CG1-CE 3.92Å; V261-M265 WeakPolarHBondContact O-CG 3.26Å; V261-M265 PolarHBondContact O-N 3.19Å
262	S	89.3	Confident	88.9	Confident	45 Å²	45	39.2 Å²	39.2	32%	0.315	22%	0.218	S	C	.	.	H	α-helix	trans	-61.3	-31.6	172.1	-77.1	0	0	0	0	113.9	K234 G260 K266	K234-S262 WeakPolarHBondContact O-CB 3.4Å; K234-S262 PolarHBondContact O-N 2.98Å; K234-S262 PolarHBondContact O-OG 2.8Å; G260-S262 VanDerWaalsContact C-N 3.29Å; G260-S262 PolarHBondContact O-N 3.33Å; S262-K266 WeakPolarHBondContact O-CG 3.29Å; S262-K266 PolarHBondContact O-N 2.9Å
263	E	88.1	Confident	89.4	Confident	104 Å²	104	36.5 Å²	36.5	49%	0.486	20%	0.203	S	C	.	.	H	α-helix	trans	-71	-46	176.2	-62.1	161.4	-168.8	0	0	110	G260 V261 M265 K266 S267	G260-E263 PolarHBondContact N-OE2 3.42Å; G260-E263 VanDerWaalsContact N-OE2 3.07Å; G260-E263 WeakPolarHBondContact O-CB 3.46Å; G260-E263 PolarHBondContact O-N 3.19Å; V261-E263 VanDerWaalsContact C-N 3.28Å; V261-E263 PolarHBondContact O-N 2.56Å; E263-M265 VanDerWaalsContact C-N 3.25Å; E263-M265 PolarHBondContact O-N 2.86Å; E263-K266 PolarHBondContact O-N 2.89Å; E263-S267 PolarHBondContact O-N 3.19Å
264	L	90.9	Very high	89.5	Confident	4 Å²	4	37.9 Å²	37.9	2%	0.021	21%	0.209	C	C	.	.	H	α-helix	trans	-63.8	-28.9	177.1	-66.3	-179.3	0	0	0	113.3	C164 V166 L171 L238 F259 G260 V261 K266 S267 V269	C164-L264 HydrophobicContact CB-CD1 4.11Å; C164-L264 HydrophobicContact CB-CD2 3.88Å; V166-L264 HydrophobicContact CG2-CB 3.82Å; L171-L264 HydrophobicContact CD1-CD1 3.75Å; L171-L264 HydrophobicContact CD2-CD1 4.31Å; L238-L264 HydrophobicContact CB-CD1 4.33Å; L238-L264 HydrophobicContact CD2-CD1 4.07Å; F259-L264 HydrophobicContact CB-CD1 3.7Å; F259-L264 HydrophobicContact CB-CD2 4Å; F259-L264 HydrophobicContact CB-CG 3.82Å; F259-L264 HydrophobicContact CD1-CD2 4.25Å; F259-L264 HydrophobicContact CG-CD1 4.38Å; F259-L264 HydrophobicContact CG-CD2 4.18Å; G260-L264 WeakPolarHBondContact O-CG 3.22Å; G260-L264 PolarHBondContact O-N 2.79Å; V261-L264 PolarHBondContact O-N 2.8Å; L264-K266 VanDerWaalsContact C-N 3.34Å; L264-S267 WeakPolarHBondContact CA-O 3.49Å; L264-V269 HydrophobicContact CD2-CB 4.33Å; L264-V269 HydrophobicContact CD2-CG1 3.9Å; L264-V269 HydrophobicContact CD2-CG2 3.55Å
265	M	88.8	Confident	89.5	Confident	69 Å²	69	38 Å²	38	34%	0.34	21%	0.209	S	C	.	.	H	α-helix	trans	-68.5	-32	171.9	-76.4	-176.4	-179.4	0	0	112.8	V166 L229 K234 V261 E263	V166-M265 HydrophobicContact CB-CG 4.31Å; V166-M265 HydrophobicContact CG1-CG 3.93Å; V166-M265 HydrophobicContact CG2-CG 4.25Å; L229-M265 HydrophobicContact CD1-CE 3.54Å; K234-M265 HydrophobicContact CD-SD 4.36Å; K234-M265 HydrophobicContact CG-CE 3.81Å; K234-M265 HydrophobicContact CG-SD 3.82Å; V261-M265 HydrophobicContact CG1-CE 3.92Å; V261-M265 WeakPolarHBondContact O-CG 3.26Å; V261-M265 PolarHBondContact O-N 3.19Å; E263-M265 VanDerWaalsContact C-N 3.25Å; E263-M265 PolarHBondContact O-N 2.86Å
266	K	89.1	Confident	89.1	Confident	185 Å²	185	38.6 Å²	38.6	80%	0.804	21%	0.213	S	C	*	.	H	α-helix	trans	-82.6	-43.3	179.7	-70.2	174.5	-177.5	177.7	0	111.5	S262 E263 L264	S262-K266 WeakPolarHBondContact O-CG 3.29Å; S262-K266 PolarHBondContact O-N 2.9Å; E263-K266 PolarHBondContact O-N 2.89Å; L264-K266 VanDerWaalsContact C-N 3.34Å
267	S	86.9	Confident	88.3	Confident	72 Å²	72	39.6 Å²	39.6	50%	0.503	22%	0.219	S	C	.	.	S	Bend	trans	-140.9	128.2	-179.3	-172.9	0	0	0	0	110.8	E263 L264	E263-S267 PolarHBondContact O-N 3.19Å; L264-S267 WeakPolarHBondContact CA-O 3.49Å
268	P	91.1	Very high	87.3	Confident	81 Å²	81	44.6 Å²	44.6	53%	0.526	24%	0.243	S	C	.	.			trans	-64.8	153.3	168.5	30.2	-34.1	0	0	0	110	C164 V165	C164-P268 WeakPolarHBondContact O-CA 3.33Å; V165-P268 HydrophobicContact CB-CB 4.47Å; V165-P268 HydrophobicContact CG1-CB 4.44Å; V165-P268 HydrophobicContact CG2-CB 4Å
269	V	91.6	Very high	86.1	Confident	32 Å²	32	50.6 Å²	50.6	19%	0.194	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	139.7	175.5	-61.9	0	0	0	0	110	K163 C164 F259 L264 F273	K163-V269 CarbonylContact C-O 3.6Å; K163-V269 VanDerWaalsContact CA-O 3.31Å; K163-V269 WeakPolarHBondContact CA-O 3.24Å; C164-V269 HydrophobicContact CB-CG2 3.58Å; C164-V269 PolarHBondContact N-O 3.27Å; C164-V269 PolarHBondContact O-N 3.19Å; F259-V269 HydrophobicContact CD1-CG1 4.39Å; F259-V269 HydrophobicContact CD1-CG2 4.13Å; F259-V269 HydrophobicContact CE1-CB 4.34Å; F259-V269 HydrophobicContact CE1-CG1 4.31Å; F259-V269 HydrophobicContact CE1-CG2 3.82Å; F259-V269 HydrophobicContact CZ-CG2 4.1Å; L264-V269 HydrophobicContact CD2-CB 4.33Å; L264-V269 HydrophobicContact CD2-CG1 3.9Å; L264-V269 HydrophobicContact CD2-CG2 3.55Å; V269-F273 HydrophobicContact CB-CZ 4.1Å; V269-F273 HydrophobicContact CG2-CZ 4.45Å
270	C	93.6	Very high	84.7	Confident	77 Å²	77	54.9 Å²	54.9	52%	0.52	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	120.8	176.6	-169.8	0	0	0	0	108.7	L162 K163	L162-C270 WeakPolarHBondContact O-CA 3.32Å; K163-C270 HydrophobicContact CG-CB 4.34Å
271	G	90.9	Very high	83.9	Confident	16 Å²	16	54.6 Å²	54.6	17%	0.165	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	156.9	-173.9	179.2	0	0	0	0	0	113.9	Y161 L162 F273	Y161-G271 WeakPolarHBondContact CA-O 3.39Å; L162-G271 PolarHBondContact N-O 3.19Å; L162-G271 PolarHBondContact O-N 3.49Å; G271-F273 VanDerWaalsContact O-CD2 3.24Å; G271-F273 WeakPolarHBondContact O-CD2 3.35Å; G271-F273 VanDerWaalsContact O-CE2 3.3Å; G271-F273 WeakPolarHBondContact O-CE2 3.31Å
272	W	89.8	Confident	83.3	Confident	28 Å²	28	58.2 Å²	58.2	11%	0.106	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	136.2	173.2	-74.4	108.3	0	0	0	110.6	R159 Y161 E177 K179 P287 I288	R159-W272 HydrophobicContact CB-CE3 3.93Å; R159-W272 HydrophobicContact CB-CZ3 4.37Å; R159-W272 HydrophobicContact CG-CE3 3.63Å; R159-W272 HydrophobicContact CG-CZ3 3.75Å; Y161-W272 AromaticContact CD2-CD1 3.79Å; Y161-W272 AromaticContact CD2-CD2 3.76Å; Y161-W272 HydrophobicContact CD2-CD2 3.76Å; Y161-W272 AromaticContact CD2-CE2 3.6Å; Y161-W272 HydrophobicContact CD2-CE3 4.42Å; Y161-W272 AromaticContact CD2-CG 3.87Å; Y161-W272 HydrophobicContact CD2-CG 3.87Å; Y161-W272 HydrophobicContact CD2-CZ2 4.1Å; Y161-W272 AromaticContact CD2-NE1 3.61Å; Y161-W272 HydrophobicContact CG-CD2 4.42Å; E177-W272 HydrophobicContact CG-CH2 3.65Å; E177-W272 HydrophobicContact CG-CZ2 4.22Å; E177-W272 HydrophobicContact CG-CZ3 4.44Å; E177-W272 VanDerWaalsContact OE1-CH2 3.31Å; E177-W272 WeakPolarHBondContact OE1-CH2 3.39Å; E177-W272 WeakPolarHBondContact OE1-CZ2 3.4Å; K179-W272 HydrophobicContact CB-CH2 4.12Å; K179-W272 HydrophobicContact CB-CZ3 4.17Å; K179-W272 HydrophobicContact CD-CH2 3.44Å; K179-W272 VanDerWaalsContact CD-CH2 3.44Å; K179-W272 HydrophobicContact CD-CZ2 3.73Å; K179-W272 HydrophobicContact CD-CZ3 4.25Å; K179-W272 HydrophobicContact CG-CH2 3.58Å; K179-W272 HydrophobicContact CG-CZ2 4.36Å; K179-W272 HydrophobicContact CG-CZ3 4.13Å; W272-P287 CarbonylContact O-C 3.54Å; W272-P287 WeakPolarHBondContact O-CA 3.49Å; W272-I288 HydrophobicContact CB-CB 3.83Å; W272-I288 HydrophobicContact CB-CD1 4.24Å; W272-I288 HydrophobicContact CB-CG1 4.43Å; W272-I288 PolarHBondContact O-N 3.27Å
273	F	87.6	Confident	82.2	Confident	8 Å²	8	62.1 Å²	62.1	4%	0.035	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	140.2	175	-62.6	-91.3	0	0	0	110.1	R159 L160 L162 L257 F259 V269 G271 N285 V286 P287	R159-F273 CarbonylContact C-O 3.51Å; R159-F273 VanDerWaalsContact CA-O 3.25Å; R159-F273 WeakPolarHBondContact CA-O 3.13Å; L160-F273 PolarHBondContact N-O 2.81Å; L160-F273 PolarHBondContact O-N 3.47Å; L162-F273 HydrophobicContact CB-CD2 4.2Å; L162-F273 HydrophobicContact CB-CE2 4.29Å; L257-F273 HydrophobicContact CD2-CB 3.69Å; F259-F273 HydrophobicContact CE1-CD1 4.11Å; F259-F273 AromaticContact CE1-CE1 3.59Å; F259-F273 HydrophobicContact CE1-CE1 3.59Å; F259-F273 HydrophobicContact CE1-CE2 4.42Å; F259-F273 AromaticContact CE1-CZ 3.78Å; F259-F273 HydrophobicContact CE1-CZ 3.78Å; F259-F273 HydrophobicContact CZ-CD1 4Å; F259-F273 HydrophobicContact CZ-CD2 4.18Å; F259-F273 AromaticContact CZ-CE1 3.82Å; F259-F273 HydrophobicContact CZ-CE1 3.82Å; F259-F273 HydrophobicContact CZ-CE2 4Å; F259-F273 HydrophobicContact CZ-CG 4.19Å; F259-F273 AromaticContact CZ-CZ 3.83Å; F259-F273 HydrophobicContact CZ-CZ 3.83Å; V269-F273 HydrophobicContact CB-CZ 4.1Å; V269-F273 HydrophobicContact CG2-CZ 4.45Å; G271-F273 VanDerWaalsContact O-CD2 3.24Å; G271-F273 WeakPolarHBondContact O-CD2 3.35Å; G271-F273 VanDerWaalsContact O-CE2 3.3Å; G271-F273 WeakPolarHBondContact O-CE2 3.31Å; F273-N285 HydrophobicContact CD1-CB 4.14Å; F273-V286 CarbonylContact C-O 3.52Å; F273-V286 VanDerWaalsContact CA-O 3.3Å; F273-V286 WeakPolarHBondContact CA-O 3.25Å; F273-P287 HydrophobicContact CD1-CB 4.12Å; F273-P287 HydrophobicContact CE1-CB 3.85Å
274	K	83.3	Confident	81.2	Confident	62 Å²	62	64.2 Å²	64.2	27%	0.27	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	137.6	175.1	-177.8	172.7	175	161.5	0	110.5	T154 L276 V286 I288	T154-K274 WeakPolarHBondContact O-CD 3.44Å; T154-K274 WeakPolarHBondContact O-CE 3.46Å; T154-K274 PolarHBondContact O-NZ 2.8Å; K274-L276 HydrophobicContact CB-CD2 4.49Å; K274-L276 HydrophobicContact CD-CD2 4.23Å; K274-L276 HydrophobicContact CG-CD2 4.12Å; K274-V286 HydrophobicContact CB-CB 4.19Å; K274-V286 HydrophobicContact CB-CG1 4.49Å; K274-V286 PolarHBondContact N-O 3.2Å; K274-I288 HydrophobicContact CB-CD1 4.29Å; K274-I288 HydrophobicContact CB-CG1 4.46Å
275	L	80	Confident	80.8	Confident	2 Å²	2	66 Å²	66	1%	0.01	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-80	124.1	169	-69.8	169.1	0	0	0	109.7	R157 G158 L160 L181 V242 L257	R157-L275 HydrophobicContact CB-CB 3.86Å; R157-L275 WeakPolarHBondContact O-CD1 3.31Å; G158-L275 WeakPolarHBondContact O-CB 3.44Å; G158-L275 PolarHBondContact O-N 3.41Å; L160-L275 HydrophobicContact CB-CD2 4.26Å; L160-L275 HydrophobicContact CB-CG 4.46Å; L181-L275 HydrophobicContact CD2-CD1 3.26Å; V242-L275 HydrophobicContact CB-CD1 4.46Å; V242-L275 HydrophobicContact CB-CD2 4.47Å; V242-L275 HydrophobicContact CG2-CD1 3.94Å; V242-L275 HydrophobicContact CG2-CD2 3.56Å; V242-L275 HydrophobicContact CG2-CG 4.44Å; L257-L275 HydrophobicContact CD2-CD2 4.23Å
276	L	75.5	Confident	80.1	Confident	14 Å²	14	65.9 Å²	65.9	7%	0.073	33%	0.331	C	S	.	.	B	Isolated β-bridge	trans	-100.7	172.3	-178	-52.3	177	0	0	0	110.6	R157 G255 S256 K274 E280 V286	R157-L276 WeakPolarHBondContact CD-O 3.34Å; G255-L276 CarbonylContact C-O 3.57Å; G255-L276 VanDerWaalsContact CA-O 3.23Å; G255-L276 WeakPolarHBondContact CA-O 3.13Å; S256-L276 PolarHBondContact N-O 3.01Å; S256-L276 WeakPolarHBondContact O-CA 3.24Å; S256-L276 WeakPolarHBondContact O-CB 3.47Å; S256-L276 PolarHBondContact O-N 3.35Å; K274-L276 HydrophobicContact CB-CD2 4.49Å; K274-L276 HydrophobicContact CD-CD2 4.23Å; K274-L276 HydrophobicContact CG-CD2 4.12Å; L276-E280 HydrophobicContact CB-CB 3.9Å; L276-E280 HydrophobicContact CD1-CB 4.16Å; L276-V286 HydrophobicContact CD1-CG2 4.26Å; L276-V286 HydrophobicContact CD2-CG2 4.14Å
277	C	72.7	Confident	79.5	Confident	24 Å²	24	61.4 Å²	61.4	16%	0.162	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-68.8	167.2	169.2	76.7	0	0	0	0	110.9	S256 E279 E280 G281	S256-C277 PolarHBondContact OG-O 3.34Å; C277-E279 VanDerWaalsContact C-N 3.3Å; C277-E279 PolarHBondContact O-N 2.8Å; C277-E280 PolarHBondContact N-OE2 3.28Å; C277-E280 PolarHBondContact O-N 3.3Å; C277-E280 VanDerWaalsContact SG-CD 3.59Å; C277-E280 VanDerWaalsContact SG-CG 3.51Å; C277-E280 PolarHBondContact SG-OE2 2.87Å; C277-G281 PolarHBondContact O-N 3.05Å
278	Q	72.5	Confident	78.8	Confident	106 Å²	106	59.8 Å²	59.8	50%	0.495	31%	0.306	S	S	.	.	H	α-helix	trans	-57.7	-42.6	-174.3	-170.5	174.8	1	0	0	112.8	F253 E282	F253-Q278 HydrophobicContact CD1-CB 4.22Å; F253-Q278 HydrophobicContact CE1-CB 3.66Å; F253-Q278 HydrophobicContact CE2-CB 4.27Å; F253-Q278 HydrophobicContact CE2-CG 4.28Å; F253-Q278 HydrophobicContact CZ-CB 3.67Å; F253-Q278 HydrophobicContact CZ-CG 4.15Å; Q278-E282 PolarHBondContact O-N 3.4Å
279	E	68.8	Low	77.2	Confident	126 Å²	126	59.8 Å²	59.8	59%	0.589	31%	0.307	S	S	*	.	H	α-helix	trans	-66.5	-46.5	-178.6	-66.7	161.2	-166.6	0	0	111.2	R75 C277 Y283	R75-E279 IonicContact NH1-OE1 3.77Å; C277-E279 VanDerWaalsContact C-N 3.3Å; C277-E279 PolarHBondContact O-N 2.8Å; E279-Y283 VanDerWaalsContact O-CD2 3.32Å; E279-Y283 WeakPolarHBondContact O-CD2 3.46Å
280	E	63.3	Low	75.4	Confident	91 Å²	91	64.5 Å²	64.5	43%	0.425	34%	0.336	S	S	.	.	H	α-helix	trans	-72	-46	179.3	-67.5	170.3	138.5	0	0	112.4	L276 C277 E282 Y283 Y284	L276-E280 HydrophobicContact CB-CB 3.9Å; L276-E280 HydrophobicContact CD1-CB 4.16Å; C277-E280 PolarHBondContact N-OE2 3.28Å; C277-E280 PolarHBondContact O-N 3.3Å; C277-E280 VanDerWaalsContact SG-CD 3.59Å; C277-E280 VanDerWaalsContact SG-CG 3.51Å; C277-E280 PolarHBondContact SG-OE2 2.87Å; E280-E282 PolarHBondContact O-N 3.27Å; E280-Y283 PolarHBondContact O-N 2.77Å; E280-Y284 HydrophobicContact CB-CD2 4.5Å; E280-Y284 VanDerWaalsContact O-CD2 3.23Å; E280-Y284 WeakPolarHBondContact O-CD2 3.15Å; E280-Y284 PolarHBondContact O-N 3.27Å
281	G	76.2	Confident	73	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-70.6	-12.7	-176.4	0	0	0	0	0	113.7	S256 L257 S258 C277 Y283	S256-G281 VanDerWaalsContact OG-CA 3.3Å; S256-G281 WeakPolarHBondContact OG-CA 3.47Å; L257-G281 CarbonylContact C-O 3.51Å; L257-G281 VanDerWaalsContact CA-O 3.28Å; L257-G281 WeakPolarHBondContact CA-O 3.31Å; S258-G281 VanDerWaalsContact CB-O 3.27Å; S258-G281 WeakPolarHBondContact CB-O 3.18Å; S258-G281 PolarHBondContact N-O 3.45Å; S258-G281 PolarHBondContact OG-O 3.3Å; C277-G281 PolarHBondContact O-N 3.05Å; G281-Y283 PolarHBondContact O-N 2.9Å
282	E	79.1	Confident	70.6	Confident	76 Å²	76	75.1 Å²	75.1	36%	0.355	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-27	168.4	-171.7	164.1	-154.4	0	0	112.2	I199 S258 Q278 E280	I199-E282 HydrophobicContact CD1-CG 3.64Å; I199-E282 WeakPolarHBondContact CD1-O 3.49Å; S258-E282 WeakPolarHBondContact CB-O 2.91Å; S258-E282 VanDerWaalsContact OG-C 3.24Å; S258-E282 PolarHBondContact OG-O 3.3Å; Q278-E282 PolarHBondContact O-N 3.4Å; E280-E282 PolarHBondContact O-N 3.27Å
283	Y	66.8	Low	68.1	Low	128 Å²	128	78.9 Å²	78.9	50%	0.502	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120	-21.4	-174.2	-57.4	-80.9	0	0	0	114.3	R237 S258 E279 E280 G281	R237-Y283 PolarHBondContact NH2-O 3.4Å; S258-Y283 WeakPolarHBondContact OG-CA 3.48Å; S258-Y283 PolarHBondContact OG-N 3.11Å; E279-Y283 VanDerWaalsContact O-CD2 3.32Å; E279-Y283 WeakPolarHBondContact O-CD2 3.46Å; E280-Y283 PolarHBondContact O-N 2.77Å; G281-Y283 PolarHBondContact O-N 2.9Å
284	Y	66.9	Low	65.6	Low	147 Å²	147	80.8 Å²	80.8	58%	0.576	42%	0.422	S	S	*	.			trans	-125	154.9	-170.1	-54.8	-67.1	0	0	0	113.3	L257 S258 E280	L257-Y284 CarbonylContact C-O 3.57Å; L257-Y284 WeakPolarHBondContact CA-O 3.31Å; S258-Y284 PolarHBondContact N-O 3.04Å; S258-Y284 CarbonylContact O-C 3.4Å; S258-Y284 PolarHBondContact OG-N 3.17Å; E280-Y284 HydrophobicContact CB-CD2 4.5Å; E280-Y284 VanDerWaalsContact O-CD2 3.23Å; E280-Y284 WeakPolarHBondContact O-CD2 3.15Å; E280-Y284 PolarHBondContact O-N 3.27Å
285	N	81.9	Confident	63.8	Low	43 Å²	43	84.1 Å²	84.1	23%	0.23	44%	0.443	C	S	.	.			trans	-131.4	139.9	162.1	63.2	93.5	0	0	0	107.6	L257 S258 F259 F273	L257-N285 HydrophobicContact CB-CB 4.3Å; L257-N285 HydrophobicContact CD1-CB 4.34Å; S258-N285 WeakPolarHBondContact O-CB 2.93Å; S258-N285 PolarHBondContact O-ND2 3.42Å; F259-N285 HydrophobicContact CD1-CB 4.17Å; F259-N285 WeakPolarHBondContact CD1-ND2 3.3Å; F259-N285 HydrophobicContact CE1-CB 3.8Å; F259-N285 VanDerWaalsContact CE1-CG 3.44Å; F259-N285 WeakPolarHBondContact CE1-OD1 3.28Å; F259-N285 HydrophobicContact CZ-CB 4.15Å; F273-N285 HydrophobicContact CD1-CB 4.14Å
286	V	74.1	Confident	62	Low	66 Å²	66	90.4 Å²	90.4	40%	0.4	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	105.7	179.7	177.9	0	0	0	0	108	F273 K274 L276	F273-V286 CarbonylContact C-O 3.52Å; F273-V286 VanDerWaalsContact CA-O 3.3Å; F273-V286 WeakPolarHBondContact CA-O 3.25Å; K274-V286 HydrophobicContact CB-CB 4.19Å; K274-V286 HydrophobicContact CB-CG1 4.49Å; K274-V286 PolarHBondContact N-O 3.2Å; L276-V286 HydrophobicContact CD1-CG2 4.26Å; L276-V286 HydrophobicContact CD2-CG2 4.14Å
287	P	76.7	Confident	60.2	Low	90 Å²	90	95.8 Å²	95.8	58%	0.584	50%	0.501	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.6	143.3	176.9	28.9	-33.2	0	0	0	110.8	W272 F273	W272-P287 CarbonylContact O-C 3.54Å; W272-P287 WeakPolarHBondContact O-CA 3.49Å; F273-P287 HydrophobicContact CD1-CB 4.12Å; F273-P287 HydrophobicContact CE1-CB 3.85Å
288	I	72.2	Confident	58.5	Low	39 Å²	39	100.2 Å²	100.2	20%	0.2	52%	0.522	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	123.4	176.9	-58.2	170.2	0	0	0	107.8	R159 W272 K274	R159-I288 HydrophobicContact CB-CD1 3.66Å; W272-I288 HydrophobicContact CB-CB 3.83Å; W272-I288 HydrophobicContact CB-CD1 4.24Å; W272-I288 HydrophobicContact CB-CG1 4.43Å; W272-I288 PolarHBondContact O-N 3.27Å; K274-I288 HydrophobicContact CB-CD1 4.29Å; K274-I288 HydrophobicContact CB-CG1 4.46Å
289	S	58.4	Low	57	Low	80 Å²	80	104.4 Å²	104.4	56%	0.559	53%	0.534	S	S	*	.	P	Polyproline II helix	trans	-71.6	135.2	176.1	47.9	0	0	0	0	110.9	E291 D292	S289-E291 PolarHBondContact O-N 3.24Å; S289-D292 PolarHBondContact O-N 2.86Å
290	V	53.4	Low	55.6	Low	132 Å²	132	106.5 Å²	106.5	80%	0.8	54%	0.541	S	S	*	.	G	3₁₀ helix	trans	-63.8	-8.4	-179	-118.9	0	0	0	0	114.3	D292	V290-D292 VanDerWaalsContact C-N 3.28Å; V290-D292 PolarHBondContact O-N 3.23Å
291	E	42.6	Very low	54.4	Low	188 Å²	188	108.9 Å²	108.9	88%	0.879	55%	0.55	S	S	*	.	G	3₁₀ helix	trans	-76.6	-8.6	-177.8	-62.8	-173.2	173.9	0	0	114.1	S289	S289-E291 PolarHBondContact O-N 3.24Å
292	D	40.3	Very low	52.4	Low	127 Å²	127	117.6 Å²	117.6	68%	0.679	59%	0.588	S	S	*	*	G	3₁₀ helix	trans	-97.4	4.9	-174.3	-138.3	7.7	0	0	0	114.5	S289 V290	S289-D292 PolarHBondContact O-N 2.86Å; V290-D292 VanDerWaalsContact C-N 3.28Å; V290-D292 PolarHBondContact O-N 3.23Å
293	D	37.3	Very low	50.3	Low	107 Å²	107	122.3 Å²	122.3	57%	0.572	61%	0.61	S	S	*	*	S	Bend	trans	-116.1	36	-173.5	-139.6	-7.7	0	0	0	113.9	R159	R159-D293 IonicContact CZ-OD2 2.79Å; R159-D293 IonicContact NH1-OD2 3.27Å; R159-D293 IonicContact NH2-OD2 3.93Å; R159-D293 PolarHBondContact NH2-OD2 3.23Å
294	G	36.5	Very low	48.9	Very low	48 Å²	48	124.8 Å²	124.8	50%	0.495	63%	0.626	S	S	.	*			trans	-163.5	73.4	-175.7	0	0	0	0	0	118.6	D296	G294-D296 PolarHBondContact O-N 3.01Å; G294-D296 VanDerWaalsContact O-N 3.08Å
295	N	45.3	Very low	47.2	Very low	132 Å²	132	122 Å²	122	71%	0.706	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.9	26.7	170.8	-165.9	18.4	0	0	0	114.9
296	D	40.6	Very low	44.8	Very low	134 Å²	134	129.5 Å²	129.5	72%	0.717	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118	-20.7	179	-86	-29.8	0	0	0	114.4	G294	G294-D296 PolarHBondContact O-N 3.01Å; G294-D296 VanDerWaalsContact O-N 3.08Å
297	E	38.3	Very low	42.6	Very low	127 Å²	127	134.9 Å²	134.9	59%	0.593	69%	0.69	S	S	*	*	H	α-helix	trans	-83.9	-29.7	177.1	-82.4	-159.2	170.3	0	0	114.1	R299 K300 K301	E297-R299 VanDerWaalsContact C-N 3.25Å; E297-R299 PolarHBondContact O-N 3.18Å; E297-K300 PolarHBondContact O-N 3.48Å; E297-K301 PolarHBondContact O-N 3.3Å; E297-K301 IonicContact OE2-NZ 3.66Å; E297-K301 PolarHBondContact OE2-NZ 3.27Å
298	L	37.5	Very low	40.2	Very low	117 Å²	117	133.9 Å²	133.9	61%	0.613	70%	0.696	S	S	*	*	H	α-helix	trans	-68.4	-22.3	-176.6	-84.4	156.8	0	0	0	113.3
299	R	39.8	Very low	38.5	Very low	195 Å²	195	138.6 Å²	138.6	74%	0.736	73%	0.729	S	S	*	*	H	α-helix	trans	-74.6	-34.8	174.1	-87.5	178.5	165.5	165.2	-3.3	113.4	E297	E297-R299 VanDerWaalsContact C-N 3.25Å; E297-R299 PolarHBondContact O-N 3.18Å
300	K	39.7	Very low	36.9	Very low	169 Å²	169	138.6 Å²	138.6	74%	0.735	74%	0.742	S	S	*	*	H	α-helix	trans	-81	-32.1	179.9	-85.8	-178.8	173.9	178	0	112.9	E297 F302	E297-K300 PolarHBondContact O-N 3.48Å; K300-F302 PolarHBondContact O-N 3.13Å
301	K	39.4	Very low	35.6	Very low	141 Å²	141	142 Å²	142	61%	0.613	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	-12.4	179	-76.3	171	176	160.2	0	113.9	E297	E297-K301 PolarHBondContact O-N 3.3Å; E297-K301 IonicContact OE2-NZ 3.66Å; E297-K301 PolarHBondContact OE2-NZ 3.27Å
302	F	32.8	Very low	34.8	Very low	184 Å²	184	142.8 Å²	142.8	81%	0.807	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.3	-11.4	178.1	-117.1	-91.5	0	0	0	114.5	K300	K300-F302 PolarHBondContact O-N 3.13Å
303	E	36.3	Very low	34	Very low	175 Å²	175	144.4 Å²	144.4	82%	0.818	75%	0.752	S	S	*	*	S	Bend	trans	-97.4	-14.8	-179.9	-76.3	-175.4	155.5	0	0	114.6
304	E	37.5	Very low	33.4	Very low	179 Å²	179	146 Å²	146	84%	0.836	76%	0.759	S	S	*	*	S	Bend	trans	-116	6.4	-166.5	-72.1	-170.4	154.6	0	0	117.7
305	A	30.3	Very low	32.9	Very low	90 Å²	90	149.5 Å²	149.5	74%	0.744	78%	0.776	S	S	*	*			trans	-136.1	64.4	-178.7	0	0	0	0	0	114.7
306	K	31.5	Very low	31.9	Very low	200 Å²	200	151.5 Å²	151.5	87%	0.87	78%	0.781	S	S	*	*			trans	-88	112	148	-85.1	-175.7	177.3	177.4	0	108
307	L	28.7	Very low	31.2	Very low	178 Å²	178	152 Å²	152	93%	0.932	79%	0.789	S	S	*	*			trans	156.5	111.6	150.3	-85.5	150.4	0	0	0	108.5
308	G	25.6	Very low	30.7	Very low	69 Å²	69	152.9 Å²	152.9	71%	0.711	80%	0.798	S	S	*	*			trans	-84	-162.9	161.4	0	0	0	0	0	111
309	P	36.7	Very low	30.1	Very low	139 Å²	139	154.4 Å²	154.4	90%	0.903	81%	0.806	S	S	*	*			cis	-133.5	179.4	-13.4	38.6	-21	0	0	0	113.3
310	G	25.2	Very low	29.5	Very low	80 Å²	80	149 Å²	149	83%	0.825	81%	0.811	S	S	*	*			trans	-175.3	112.8	166.9	0	0	0	0	0	116.6
311	K	26	Very low	29	Very low	204 Å²	204	152.1 Å²	152.1	89%	0.887	82%	0.818	S	S	*	*			trans	-71.8	154.1	173.6	-93.5	174.8	170.6	175.7	0	114
312	K	25.4	Very low	29	Very low	203 Å²	203	151.1 Å²	151.1	88%	0.883	83%	0.826	S	S	*	*				160.6	166	126.9	-88.2	169.9	-176.1	-174.4	0	109.4
313	M	23.6	Very low	28.8	Very low	161 Å²	161	147.6 Å²	147.6	79%	0.793	83%	0.825	S	S	*	*			cis	-179.8	125.1	-39.2	-164.9	173.5	-172.4	0	0	105
314	I	25.2	Very low	28.3	Very low	142 Å²	142	144.2 Å²	144.2	73%	0.728	82%	0.82	S	S	*	*			trans	29.1	136	147.7	-51.4	167.2	0	0	0	121.2
315	S	25.8	Very low	28	Very low	120 Å²	120	146 Å²	146	84%	0.839	82%	0.821	S	S	*	*			trans	-159.5	133	132.5	52.5	0	0	0	0	112.8
316	E	24.5	Very low	28.2	Very low	174 Å²	174	147.8 Å²	147.8	81%	0.813	83%	0.825	S	S	*	*			trans	-88.7	164.6	173.6	-66.8	173.5	143.7	0	0	112.7
317	T	26.5	Very low	28.1	Very low	144 Å²	144	143 Å²	143	88%	0.883	82%	0.816	S	S	*	*			trans	163	145.9	141.1	45.5	0	0	0	0	107.6
318	D	26.1	Very low	28.2	Very low	146 Å²	146	142.6 Å²	142.6	78%	0.781	82%	0.815	S	S	*	*			cis	-169.4	169.2	-5.5	-175.6	25.2	0	0	0	107.4
319	D	26.2	Very low	28.5	Very low	149 Å²	149	143.5 Å²	143.5	80%	0.797	81%	0.81	S	S	*	*			trans	-50.8	160.1	-163.7	-78.7	-44.3	0	0	0	123.4
320	G	26.3	Very low	28.7	Very low	81 Å²	81	144.9 Å²	144.9	84%	0.835	81%	0.809	S	S	*	*			trans	-179.6	74.4	159.1	0	0	0	0	0	115.1
321	R	29.9	Very low	30	Very low	236 Å²	236	147.6 Å²	147.6	89%	0.891	81%	0.805	S	S	*	*			trans	-93.8	178	173.2	-93.5	-173	-177.4	179.2	3.4	111.5
322	P	39.1	Very low	32.1	Very low	119 Å²	119	144.7 Å²	144.7	77%	0.773	79%	0.794	S	S	*	*				-127	173.4	-73.6	32.4	-10.7	0	0	0	111.5
323	S	28.3	Very low	35	Very low	111 Å²	111	136.1 Å²	136.1	78%	0.776	76%	0.759	S	S	*	*			trans	-127.2	103.8	168.7	162.8	0	0	0	0	110.1
324	S	27.1	Very low	38.2	Very low	103 Å²	103	133.3 Å²	133.3	72%	0.72	74%	0.743	S	S	*	*			trans	-83.1	132.4	176.8	51.8	0	0	0	0	112.5
325	Y	29.5	Very low	41.3	Very low	217 Å²	217	129.1 Å²	129.1	85%	0.851	72%	0.721	S	S	*	*			trans	-127	122.7	141.8	-75	-79.6	0	0	0	107.5
326	P	34.5	Very low	44.4	Very low	127 Å²	127	127 Å²	127	83%	0.825	71%	0.706	S	S	*	*			trans	-87.4	117.2	-175.7	32.6	-28.5	0	0	0	110
327	S	29.2	Very low	47.6	Very low	99 Å²	99	121.1 Å²	121.1	69%	0.692	68%	0.681	S	S	*	*			trans	-122.9	114.5	156.3	76	0	0	0	0	109.1	S329	S327-S329 PolarHBondContact O-N 3.07Å; S327-S329 PolarHBondContact O-OG 3.18Å
328	N	32.4	Very low	50.8	Low	171 Å²	171	114.7 Å²	114.7	91%	0.914	64%	0.64	S	S	*	*			trans	-40.2	107	172.6	-75	-16.7	0	0	0	112.8
329	S	32.2	Very low	53.8	Low	87 Å²	87	110.1 Å²	110.1	61%	0.608	62%	0.62	S	S	*	*			trans	-145.2	53.5	169.6	52.1	0	0	0	0	110.7	S327 D331	S327-S329 PolarHBondContact O-N 3.07Å; S327-S329 PolarHBondContact O-OG 3.18Å; S329-D331 PolarHBondContact O-N 2.58Å
330	L	39.2	Very low	56.9	Low	169 Å²	169	105 Å²	105	89%	0.885	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.6	11.4	177.3	-85.2	166.4	0	0	0	114.5
331	D	53.9	Low	59.6	Low	136 Å²	136	104.4 Å²	104.4	73%	0.727	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.1	19.8	-168.7	-70.7	-27.2	0	0	0	116.2	S329 I658	S329-D331 PolarHBondContact O-N 2.58Å; D331-I658 WeakPolarHBondContact O-CD1 3.27Å
332	Q	70.2	Confident	62.1	Low	143 Å²	143	93.8 Å²	93.8	67%	0.668	53%	0.53	S	S	*	.			trans	-136.4	113.6	174.4	-74.8	-176.2	0.7	0	0	112.9
333	V	86.2	Confident	64.1	Low	23 Å²	23	88.2 Å²	88.2	14%	0.139	49%	0.494	C	S	.	.			trans	-61.9	131.5	167.5	177	0	0	0	0	109.6	F338 F406 I658	V333-F338 HydrophobicContact CG1-CE2 3.46Å; V333-F338 VanDerWaalsContact CG1-CE2 3.46Å; V333-F338 HydrophobicContact CG1-CZ 3.71Å; V333-F406 HydrophobicContact CB-CD1 4.4Å; V333-F406 HydrophobicContact CG1-CD1 3.86Å; V333-F406 HydrophobicContact CG1-CE1 4.01Å; V333-F406 WeakPolarHBondContact O-CB 3.36Å; V333-I658 HydrophobicContact CG2-CD1 4.05Å; V333-I658 HydrophobicContact CG2-CG1 4.26Å
334	K	90.3	Very high	66.6	Low	103 Å²	103	83.5 Å²	83.5	45%	0.448	46%	0.46	S	S	.	.			trans	-126.1	161.1	-177.2	-65.5	174	-171.2	174.7	0	111.7	S336 D337 F338	K334-S336 PolarHBondContact O-N 3.25Å; K334-D337 PolarHBondContact N-OD2 2.92Å; K334-D337 WeakPolarHBondContact O-CB 3.47Å; K334-D337 PolarHBondContact O-N 2.87Å; K334-D337 VanDerWaalsContact O-N 3.07Å; K334-F338 WeakPolarHBondContact O-CD2 3.35Å
335	L	90.1	Very high	68.8	Low	54 Å²	54	79.3 Å²	79.3	28%	0.283	43%	0.433	S	S	.	.	G	3₁₀ helix	trans	-56.6	-35.4	175.1	-172.3	62.5	0	0	0	112.8	D337 F338 F340 F406 Y413 L636	L335-D337 PolarHBondContact O-N 3.33Å; L335-F338 PolarHBondContact O-N 3.26Å; L335-F340 HydrophobicContact CD1-CE2 3.62Å; L335-F340 HydrophobicContact CD1-CZ 3.53Å; L335-F406 HydrophobicContact CB-CE2 4.02Å; L335-F406 HydrophobicContact CB-CZ 4.37Å; L335-F406 HydrophobicContact CD1-CZ 4.38Å; L335-Y413 HydrophobicContact CD1-CD1 4.13Å; L335-Y413 HydrophobicContact CD1-CE1 3.45Å; L335-Y413 VanDerWaalsContact CD1-CE1 3.45Å; L335-L636 HydrophobicContact CD1-CD1 4.48Å; L335-L636 HydrophobicContact CD2-CD1 4.21Å
336	S	90.9	Very high	70.6	Confident	74 Å²	74	76.1 Å²	76.1	52%	0.517	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-62.2	-20.1	179.5	50.2	0	0	0	0	114.1	K334 F338 K358	K334-S336 PolarHBondContact O-N 3.25Å; S336-F338 PolarHBondContact O-N 3.35Å; S336-K358 WeakPolarHBondContact O-CE 3.44Å; S336-K358 PolarHBondContact O-NZ 2.91Å
337	D	91.7	Very high	71.8	Confident	52 Å²	52	72.4 Å²	72.4	28%	0.278	41%	0.409	S	S	.	.	G	3₁₀ helix	trans	-81.1	-11	-173.8	-51.7	-20.2	0	0	0	111.4	K334 L335 K358	K334-D337 PolarHBondContact N-OD2 2.92Å; K334-D337 WeakPolarHBondContact O-CB 3.47Å; K334-D337 PolarHBondContact O-N 2.87Å; K334-D337 VanDerWaalsContact O-N 3.07Å; L335-D337 PolarHBondContact O-N 3.33Å; D337-K358 WeakPolarHBondContact O-CG 3.48Å; D337-K358 PolarHBondContact O-N 3.44Å
338	F	92.9	Very high	72.9	Confident	8 Å²	8	72 Å²	72	4%	0.035	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	151.3	-177.9	-60.9	-79.7	0	0	0	112.8	V333 K334 L335 S336 A355 E356 M357 K358 Y364 I366 F406 V415	V333-F338 HydrophobicContact CG1-CE2 3.46Å; V333-F338 VanDerWaalsContact CG1-CE2 3.46Å; V333-F338 HydrophobicContact CG1-CZ 3.71Å; K334-F338 WeakPolarHBondContact O-CD2 3.35Å; L335-F338 PolarHBondContact O-N 3.26Å; S336-F338 PolarHBondContact O-N 3.35Å; F338-A355 HydrophobicContact CB-CB 4.21Å; F338-A355 HydrophobicContact CD1-CB 4.3Å; F338-E356 CarbonylContact C-O 3.57Å; F338-E356 WeakPolarHBondContact CA-O 3.49Å; F338-M357 HydrophobicContact CD1-CB 4.16Å; F338-M357 HydrophobicContact CE1-CB 4.01Å; F338-M357 HydrophobicContact CE1-CG 4.29Å; F338-K358 WeakPolarHBondContact O-CE 3.37Å; F338-Y364 HydrophobicContact CE1-CD2 4.06Å; F338-Y364 HydrophobicContact CE1-CG 4.49Å; F338-I366 HydrophobicContact CB-CD1 4.19Å; F338-I366 HydrophobicContact CD1-CD1 3.69Å; F338-I366 HydrophobicContact CD2-CD1 3.98Å; F338-I366 HydrophobicContact CE1-CD1 4.02Å; F338-I366 HydrophobicContact CE2-CD1 4.29Å; F338-I366 HydrophobicContact CG-CD1 3.67Å; F338-I366 HydrophobicContact CZ-CD1 4.31Å; F338-F406 HydrophobicContact CD2-CE1 4.42Å; F338-F406 HydrophobicContact CD2-CZ 4.47Å; F338-F406 AromaticContact CE2-CE1 3.85Å; F338-F406 HydrophobicContact CE2-CE1 3.85Å; F338-F406 HydrophobicContact CE2-CZ 4.32Å; F338-V415 HydrophobicContact CE1-CG1 4.03Å; F338-V415 HydrophobicContact CE2-CG2 4.18Å; F338-V415 HydrophobicContact CZ-CG1 3.87Å; F338-V415 HydrophobicContact CZ-CG2 3.91Å
339	S	90.3	Very high	74.2	Confident	50 Å²	50	66.3 Å²	66.3	35%	0.35	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	116.6	167.6	-172.4	0	0	0	0	108.7	A355 E356	S339-A355 CarbonylContact O-C 3.56Å; S339-A355 VanDerWaalsContact O-CA 3.24Å; S339-A355 WeakPolarHBondContact O-CA 3.35Å; S339-E356 PolarHBondContact N-O 3.47Å; S339-E356 PolarHBondContact O-N 3.09Å
340	F	90	Very high	76.2	Confident	43 Å²	43	63 Å²	63	19%	0.189	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	126.4	179.7	-64.9	-68.9	0	0	0	111.1	L335 M353 A355 I366 I368 P634 L636	L335-F340 HydrophobicContact CD1-CE2 3.62Å; L335-F340 HydrophobicContact CD1-CZ 3.53Å; F340-M353 HydrophobicContact CB-SD 4.36Å; F340-M353 HydrophobicContact CD1-CB 3.65Å; F340-M353 HydrophobicContact CD1-CG 4.26Å; F340-M353 HydrophobicContact CD1-SD 3.64Å; F340-M353 HydrophobicContact CD2-SD 4.44Å; F340-M353 HydrophobicContact CE1-CB 4.03Å; F340-M353 HydrophobicContact CE1-SD 3.96Å; F340-M353 HydrophobicContact CG-SD 3.9Å; F340-M353 HydrophobicContact CZ-SD 4.49Å; F340-A355 HydrophobicContact CD1-CB 3.81Å; F340-A355 HydrophobicContact CE1-CB 4.1Å; F340-I366 HydrophobicContact CE1-CB 4.38Å; F340-I366 HydrophobicContact CE1-CD1 4.06Å; F340-I368 HydrophobicContact CE1-CD1 3.79Å; F340-I368 HydrophobicContact CZ-CD1 3.82Å; F340-P634 HydrophobicContact CB-CB 4.01Å; F340-L636 HydrophobicContact CE2-CD1 4.23Å
341	L	83.4	Confident	78.4	Confident	68 Å²	68	57.5 Å²	57.5	36%	0.356	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	-44.5	-174	-56.3	-176.7	0	0	0	112.4	L354 E356 L363	L341-L354 HydrophobicContact CB-CB 4.5Å; L341-L354 HydrophobicContact CB-CD2 4.26Å; L341-L354 HydrophobicContact CB-CG 4.16Å; L341-L354 HydrophobicContact CD1-CD2 4.3Å; L341-L354 HydrophobicContact CD1-CG 4.22Å; L341-L354 PolarHBondContact N-O 3.47Å; L341-E356 HydrophobicContact CD1-CB 4.13Å; L341-E356 HydrophobicContact CG-CB 4.43Å; L341-L363 HydrophobicContact CD1-CD2 3.66Å
342	A	82.2	Confident	80.1	Confident	12 Å²	12	53 Å²	53	10%	0.099	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	158	-176.3	0	0	0	0	0	111.7	M353 L354 A622	A342-M353 CarbonylContact O-C 3.58Å; A342-M353 VanDerWaalsContact O-CA 3.31Å; A342-M353 WeakPolarHBondContact O-CA 3.39Å; A342-L354 HydrophobicContact CB-CB 4.28Å; A342-L354 PolarHBondContact N-O 3.45Å; A342-L354 PolarHBondContact O-N 2.9Å; A342-A622 HydrophobicContact CB-CB 4.43Å
343	V	82.1	Confident	81	Confident	3 Å²	3	46.1 Å²	46.1	2%	0.018	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	123.8	165.7	-177	0	0	0	0	108.1	F629 T630 T632	V343-F629 HydrophobicContact CG1-CB 4.38Å; V343-F629 CarbonylContact O-C 3.47Å; V343-F629 VanDerWaalsContact O-C 3.25Å; V343-F629 WeakPolarHBondContact O-CB 3.2Å; V343-T630 PolarHBondContact O-N 2.82Å; V343-T632 HydrophobicContact CG2-CG2 4.25Å
344	L	79.9	Confident	81.2	Confident	12 Å²	12	45.1 Å²	45.1	6%	0.063	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	-31	178.6	-62.8	179.4	0	0	0	112	V352 L354 A365 Y418 A622 F625	L344-V352 HydrophobicContact CB-CB 4.45Å; L344-V352 HydrophobicContact CB-CG1 4.24Å; L344-V352 HydrophobicContact CD1-CG1 4.38Å; L344-V352 PolarHBondContact N-O 3.12Å; L344-L354 HydrophobicContact CD1-CB 3.97Å; L344-L354 HydrophobicContact CD2-CB 3.92Å; L344-L354 HydrophobicContact CG-CB 3.88Å; L344-A365 HydrophobicContact CD1-CB 4.19Å; L344-Y418 HydrophobicContact CD1-CD2 3.99Å; L344-Y418 HydrophobicContact CD1-CE2 3.78Å; L344-Y418 HydrophobicContact CD2-CE2 4.2Å; L344-A622 HydrophobicContact CD2-CB 3.73Å; L344-F625 HydrophobicContact CB-CD1 3.96Å; L344-F625 HydrophobicContact CB-CE1 4.02Å; L344-F625 HydrophobicContact CD1-CE1 4.22Å; L344-F625 HydrophobicContact CD1-CZ 4.17Å; L344-F625 HydrophobicContact CD2-CB 4.35Å; L344-F625 HydrophobicContact CD2-CD1 3.86Å; L344-F625 HydrophobicContact CD2-CD2 3.78Å; L344-F625 HydrophobicContact CD2-CE1 4.03Å; L344-F625 HydrophobicContact CD2-CE2 3.97Å; L344-F625 HydrophobicContact CD2-CG 3.72Å; L344-F625 HydrophobicContact CD2-CZ 4.08Å; L344-F625 HydrophobicContact CG-CD1 4.39Å; L344-F625 HydrophobicContact CG-CE1 4.31Å
345	G	73.4	Confident	81.3	Confident	15 Å²	15	40.2 Å²	40.2	16%	0.155	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.9	165.2	179.2	0	0	0	0	0	113.1	K351 V352	G345-K351 WeakPolarHBondContact O-CA 3.43Å; G345-V352 PolarHBondContact N-O 3.28Å; G345-V352 PolarHBondContact O-N 3.03Å
346	K	67.8	Low	81.2	Confident	149 Å²	149	39.5 Å²	39.5	65%	0.648	24%	0.235	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-133.2	124.8	174.5	-173.7	-178.1	177	-167.2	0	108.7	K351 F629	K346-K351 HydrophobicContact CG-CG 4.15Å; K346-F629 HydrophobicContact CB-CD1 4.47Å; K346-F629 HydrophobicContact CB-CE1 3.99Å
347	G	60	Low	81.3	Confident	50 Å²	50	37.5 Å²	37.5	52%	0.515	22%	0.218	S	C	.	.			trans	-109.7	-172.6	177	0	0	0	0	0	112.2	G350	G347-G350 PolarHBondContact N-O 2.85Å
348	S	52.7	Low	81.2	Confident	91 Å²	91	41.1 Å²	41.1	64%	0.636	23%	0.231	S	C	*	.	S	Bend	trans	-57.9	-47	175.9	45.2	0	0	0	0	112.3
349	F	58.8	Low	81	Confident	50 Å²	50	44.9 Å²	44.9	22%	0.219	26%	0.264	C	S	.	.	S	Bend	trans	-99.2	-6.1	-170.8	-49.3	-64.4	0	0	0	114.2	L369 K370 V373 D377 D379	F349-L369 HydrophobicContact CB-CD2 3.85Å; F349-K370 PolarHBondContact O-N 3.05Å; F349-V373 HydrophobicContact CD1-CG1 4.32Å; F349-D377 HydrophobicContact CD1-CB 4.39Å; F349-D377 WeakPolarHBondContact CD1-OD2 3.24Å; F349-D377 HydrophobicContact CE1-CB 3.8Å; F349-D377 VanDerWaalsContact CE1-OD2 3.27Å; F349-D377 WeakPolarHBondContact CE1-OD2 3.27Å; F349-D379 HydrophobicContact CE1-CB 4.37Å; F349-D379 WeakPolarHBondContact CE1-OD2 3.38Å; F349-D379 HydrophobicContact CZ-CB 4.5Å; F349-D379 WeakPolarHBondContact CZ-OD2 3.4Å
350	G	74.7	Confident	80.8	Confident	19 Å²	19	45.8 Å²	45.8	20%	0.196	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	178.7	-166.5	-168.1	0	0	0	0	0	117.3	G347 I368	G347-G350 PolarHBondContact N-O 2.85Å; G350-I368 CarbonylContact C-O 3.53Å; G350-I368 WeakPolarHBondContact CA-O 3.46Å
351	K	84.9	Confident	80.5	Confident	53 Å²	53	49.9 Å²	49.9	23%	0.23	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	147.2	178.9	-67.6	-176.6	-177.2	-177.5	0	110	G345 K346 M353 I368	G345-K351 WeakPolarHBondContact O-CA 3.43Å; K346-K351 HydrophobicContact CG-CG 4.15Å; K351-M353 HydrophobicContact CB-CE 4.33Å; K351-M353 HydrophobicContact CD-CE 4.06Å; K351-I368 PolarHBondContact N-O 2.77Å; K351-I368 PolarHBondContact O-N 2.72Å
352	V	89.2	Confident	80.6	Confident	40 Å²	40	48.3 Å²	48.3	24%	0.242	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	126.1	168.8	-173.4	0	0	0	0	107.8	L344 G345 A365 I366 K367	L344-V352 HydrophobicContact CB-CB 4.45Å; L344-V352 HydrophobicContact CB-CG1 4.24Å; L344-V352 HydrophobicContact CD1-CG1 4.38Å; L344-V352 PolarHBondContact N-O 3.12Å; G345-V352 PolarHBondContact N-O 3.28Å; G345-V352 PolarHBondContact O-N 3.03Å; V352-A365 HydrophobicContact CG1-CB 4.35Å; V352-I366 CarbonylContact C-O 3.44Å; V352-I366 WeakPolarHBondContact CA-O 3.37Å; V352-K367 HydrophobicContact CG2-CB 4.18Å; V352-K367 HydrophobicContact CG2-CG 4.25Å
353	M	89.2	Confident	81	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	140.4	-179.1	-60.8	-169.7	-174.7	0	0	110.8	F340 A342 K351 I366 I368 L636	F340-M353 HydrophobicContact CB-SD 4.36Å; F340-M353 HydrophobicContact CD1-CB 3.65Å; F340-M353 HydrophobicContact CD1-CG 4.26Å; F340-M353 HydrophobicContact CD1-SD 3.64Å; F340-M353 HydrophobicContact CD2-SD 4.44Å; F340-M353 HydrophobicContact CE1-CB 4.03Å; F340-M353 HydrophobicContact CE1-SD 3.96Å; F340-M353 HydrophobicContact CG-SD 3.9Å; F340-M353 HydrophobicContact CZ-SD 4.49Å; A342-M353 CarbonylContact O-C 3.58Å; A342-M353 VanDerWaalsContact O-CA 3.31Å; A342-M353 WeakPolarHBondContact O-CA 3.39Å; K351-M353 HydrophobicContact CB-CE 4.33Å; K351-M353 HydrophobicContact CD-CE 4.06Å; M353-I366 PolarHBondContact N-O 3.49Å; M353-I366 PolarHBondContact O-N 2.81Å; M353-I368 HydrophobicContact CB-CD1 4.47Å; M353-I368 HydrophobicContact CE-CD1 4.12Å; M353-I368 HydrophobicContact CG-CD1 4.03Å; M353-I368 HydrophobicContact SD-CD1 3.76Å; M353-L636 HydrophobicContact CE-CD2 3.48Å; M353-L636 VanDerWaalsContact CE-CD2 3.48Å; M353-L636 HydrophobicContact CE-CG 4.21Å; M353-L636 HydrophobicContact SD-CD2 4.3Å
354	L	91	Very high	81.5	Confident	2 Å²	2	49 Å²	49	1%	0.01	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	127.8	163.5	178.9	59	0	0	0	108.1	L341 A342 L344 L363 Y418 A622	L341-L354 HydrophobicContact CB-CB 4.5Å; L341-L354 HydrophobicContact CB-CD2 4.26Å; L341-L354 HydrophobicContact CB-CG 4.16Å; L341-L354 HydrophobicContact CD1-CD2 4.3Å; L341-L354 HydrophobicContact CD1-CG 4.22Å; L341-L354 PolarHBondContact N-O 3.47Å; A342-L354 HydrophobicContact CB-CB 4.28Å; A342-L354 PolarHBondContact N-O 3.45Å; A342-L354 PolarHBondContact O-N 2.9Å; L344-L354 HydrophobicContact CD1-CB 3.97Å; L344-L354 HydrophobicContact CD2-CB 3.92Å; L344-L354 HydrophobicContact CG-CB 3.88Å; L354-L363 HydrophobicContact CD1-CB 4.28Å; L354-L363 HydrophobicContact CD1-CD2 4.32Å; L354-Y418 HydrophobicContact CD1-CD1 3.85Å; L354-Y418 HydrophobicContact CD1-CD2 3.65Å; L354-Y418 HydrophobicContact CD1-CE1 3.9Å; L354-Y418 HydrophobicContact CD1-CE2 3.72Å; L354-Y418 HydrophobicContact CD1-CG 3.71Å; L354-A622 HydrophobicContact CD2-CB 4.42Å
355	A	91.4	Very high	82.1	Confident	0 Å²	0	49 Å²	49	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	147.7	179	0	0	0	0	0	111.5	F338 S339 F340 L363 Y364 I366	F338-A355 HydrophobicContact CB-CB 4.21Å; F338-A355 HydrophobicContact CD1-CB 4.3Å; S339-A355 CarbonylContact O-C 3.56Å; S339-A355 VanDerWaalsContact O-CA 3.24Å; S339-A355 WeakPolarHBondContact O-CA 3.35Å; F340-A355 HydrophobicContact CD1-CB 3.81Å; F340-A355 HydrophobicContact CE1-CB 4.1Å; A355-L363 WeakPolarHBondContact O-CA 3.21Å; A355-Y364 PolarHBondContact N-O 2.8Å; A355-Y364 PolarHBondContact O-N 3.03Å; A355-I366 HydrophobicContact CB-CD1 3.48Å; A355-I366 VanDerWaalsContact CB-CD1 3.48Å; A355-I366 HydrophobicContact CB-CG1 3.91Å
356	E	89.4	Confident	83.2	Confident	38 Å²	38	48.3 Å²	48.3	18%	0.178	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	130	172.4	-172.5	178.7	81.4	0	0	109.4	F338 S339 L341 K358 E361 E362 L363 K620	F338-E356 CarbonylContact C-O 3.57Å; F338-E356 WeakPolarHBondContact CA-O 3.49Å; S339-E356 PolarHBondContact N-O 3.47Å; S339-E356 PolarHBondContact O-N 3.09Å; L341-E356 HydrophobicContact CD1-CB 4.13Å; L341-E356 HydrophobicContact CG-CB 4.43Å; E356-K358 PolarHBondContact O-N 2.9Å; E356-E361 HydrophobicContact CG-CB 4.49Å; E356-E362 CarbonylContact C-O 3.57Å; E356-E362 WeakPolarHBondContact CA-O 3.28Å; E356-L363 HydrophobicContact CB-CD2 4.01Å; E356-L363 HydrophobicContact CG-CD2 4.27Å; E356-K620 IonicContact OE2-NZ 3.21Å; E356-K620 PolarHBondContact OE2-NZ 2.84Å
357	M	91.4	Very high	84.5	Confident	33 Å²	33	42.4 Å²	42.4	16%	0.163	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	120.2	173.3	-175.4	171.6	-178.5	0	0	109.5	F338 A359 T360 E361 E362 Y364	F338-M357 HydrophobicContact CD1-CB 4.16Å; F338-M357 HydrophobicContact CE1-CB 4.01Å; F338-M357 HydrophobicContact CE1-CG 4.29Å; M357-A359 HydrophobicContact CE-CB 4.41Å; M357-A359 PolarHBondContact O-N 3.15Å; M357-A359 VanDerWaalsContact O-N 3.15Å; M357-T360 PolarHBondContact O-N 3.04Å; M357-E361 WeakPolarHBondContact O-CA 3.21Å; M357-E361 PolarHBondContact O-N 3.21Å; M357-E362 PolarHBondContact N-O 3.36Å; M357-Y364 HydrophobicContact CB-CD2 4.08Å; M357-Y364 HydrophobicContact CB-CE2 3.67Å; M357-Y364 HydrophobicContact SD-CE2 4.23Å
358	K	89.7	Confident	86.1	Confident	127 Å²	127	40.1 Å²	40.1	55%	0.552	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-28.2	-171.3	-68.3	174.7	-177.5	166.4	0	114.1	S336 D337 F338 E356	S336-K358 WeakPolarHBondContact O-CE 3.44Å; S336-K358 PolarHBondContact O-NZ 2.91Å; D337-K358 WeakPolarHBondContact O-CG 3.48Å; D337-K358 PolarHBondContact O-N 3.44Å; F338-K358 WeakPolarHBondContact O-CE 3.37Å; E356-K358 PolarHBondContact O-N 2.9Å
359	A	88.8	Confident	87.9	Confident	88 Å²	88	36 Å²	36	73%	0.727	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-33.8	-177.3	0	0	0	0	0	112.9	M357	M357-A359 HydrophobicContact CE-CB 4.41Å; M357-A359 PolarHBondContact O-N 3.15Å; M357-A359 VanDerWaalsContact O-N 3.15Å
360	T	86.1	Confident	89.3	Confident	69 Å²	69	36.7 Å²	36.7	42%	0.423	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.6	-11.6	-172.1	59.2	0	0	0	0	113.6	M357 E362	M357-T360 PolarHBondContact O-N 3.04Å; T360-E362 WeakPolarHBondContact CB-OE2 3.39Å; T360-E362 PolarHBondContact O-N 2.9Å; T360-E362 WeakPolarHBondContact OG1-CB 3.15Å; T360-E362 WeakPolarHBondContact OG1-CG 3.42Å; T360-E362 PolarHBondContact OG1-N 2.92Å; T360-E362 PolarHBondContact OG1-OE2 2.81Å
361	E	83.9	Confident	90	Very high	129 Å²	129	35.8 Å²	35.8	60%	0.603	19%	0.189	S	C	*	.			trans	58.8	18.1	-169.7	-54.9	-174.6	-167.2	0	0	114.1	E356 M357 K620	E356-E361 HydrophobicContact CG-CB 4.49Å; M357-E361 WeakPolarHBondContact O-CA 3.21Å; M357-E361 PolarHBondContact O-N 3.21Å; E361-K620 IonicContact OE2-NZ 2.71Å
362	E	86	Confident	89.9	Confident	35 Å²	35	35.6 Å²	35.6	16%	0.164	19%	0.19	C	C	.	.			trans	-80.7	146.6	178.9	-71.7	173	145	0	0	111.7	E356 M357 T360 Y364 H664	E356-E362 CarbonylContact C-O 3.57Å; E356-E362 WeakPolarHBondContact CA-O 3.28Å; M357-E362 PolarHBondContact N-O 3.36Å; T360-E362 WeakPolarHBondContact CB-OE2 3.39Å; T360-E362 PolarHBondContact O-N 2.9Å; T360-E362 WeakPolarHBondContact OG1-CB 3.15Å; T360-E362 WeakPolarHBondContact OG1-CG 3.42Å; T360-E362 PolarHBondContact OG1-N 2.92Å; T360-E362 PolarHBondContact OG1-OE2 2.81Å; E362-Y364 HydrophobicContact CB-CE2 3.74Å; E362-Y364 WeakPolarHBondContact O-CD2 3.5Å; E362-Y364 PolarHBondContact OE2-OH 2.87Å; E362-H664 WeakPolarHBondContact OE1-CB 3.45Å; E362-H664 IonicContact OE1-CD2 3.51Å; E362-H664 IonicContact OE1-CG 3.56Å; E362-H664 VanDerWaalsContact OE1-CG 3.27Å; E362-H664 IonicContact OE1-ND1 2.84Å; E362-H664 PolarHBondContact OE1-ND1 2.87Å
363	L	89.9	Confident	89.4	Confident	28 Å²	28	35.2 Å²	35.2	15%	0.147	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	133.7	-175.6	-65.6	177.8	0	0	0	111.4	L341 L354 A355 E356 Y418 K620	L341-L363 HydrophobicContact CD1-CD2 3.66Å; L354-L363 HydrophobicContact CD1-CB 4.28Å; L354-L363 HydrophobicContact CD1-CD2 4.32Å; A355-L363 WeakPolarHBondContact O-CA 3.21Å; E356-L363 HydrophobicContact CB-CD2 4.01Å; E356-L363 HydrophobicContact CG-CD2 4.27Å; L363-Y418 HydrophobicContact CB-CD1 3.97Å; L363-Y418 HydrophobicContact CB-CG 4.43Å; L363-Y418 HydrophobicContact CD1-CD1 4.14Å; L363-Y418 HydrophobicContact CD1-CE1 4.28Å; L363-Y418 WeakPolarHBondContact O-CB 3.2Å; L363-K620 HydrophobicContact CD1-CB 4.33Å; L363-K620 HydrophobicContact CD1-CG 4.39Å
364	Y	92.6	Very high	88.9	Confident	2 Å²	2	35.2 Å²	35.2	1%	0.008	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	151.1	179.7	-63.5	-88	0	0	0	111.3	F338 A355 M357 E362 H403 V415 M416 F662	F338-Y364 HydrophobicContact CE1-CD2 4.06Å; F338-Y364 HydrophobicContact CE1-CG 4.49Å; A355-Y364 PolarHBondContact N-O 2.8Å; A355-Y364 PolarHBondContact O-N 3.03Å; M357-Y364 HydrophobicContact CB-CD2 4.08Å; M357-Y364 HydrophobicContact CB-CE2 3.67Å; M357-Y364 HydrophobicContact SD-CE2 4.23Å; E362-Y364 HydrophobicContact CB-CE2 3.74Å; E362-Y364 WeakPolarHBondContact O-CD2 3.5Å; E362-Y364 PolarHBondContact OE2-OH 2.87Å; Y364-H403 HydrophobicContact CD1-CB 4.23Å; Y364-H403 HydrophobicContact CE1-CB 3.84Å; Y364-H403 AromaticContact CE1-CD2 3.88Å; Y364-H403 AromaticContact CE1-CG 3.79Å; Y364-V415 HydrophobicContact CD1-CG1 3.64Å; Y364-V415 HydrophobicContact CE1-CG1 4.32Å; Y364-V415 HydrophobicContact CG-CG1 3.78Å; Y364-M416 WeakPolarHBondContact CA-O 3.35Å; Y364-F662 AromaticContact CE1-CE1 3.93Å; Y364-F662 HydrophobicContact CE1-CE1 3.93Å; Y364-F662 AromaticContact CE1-CZ 3.92Å; Y364-F662 HydrophobicContact CE1-CZ 3.92Å
365	A	93.9	Very high	88.3	Confident	11 Å²	11	37.7 Å²	37.7	9%	0.091	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	115.5	165.2	0	0	0	0	0	108.7	L344 V352 M416 Y418	L344-A365 HydrophobicContact CD1-CB 4.19Å; V352-A365 HydrophobicContact CG1-CB 4.35Å; A365-M416 PolarHBondContact N-O 2.95Å; A365-M416 WeakPolarHBondContact O-CB 3.42Å; A365-M416 PolarHBondContact O-N 3.4Å; A365-Y418 HydrophobicContact CB-CD2 4.5Å
366	I	95.5	Very high	87.4	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	111.4	-178.9	-52.8	-173.8	0	0	0	109.7	F338 F340 V352 M353 A355 I368 Y413 F414 V415	F338-I366 HydrophobicContact CB-CD1 4.19Å; F338-I366 HydrophobicContact CD1-CD1 3.69Å; F338-I366 HydrophobicContact CD2-CD1 3.98Å; F338-I366 HydrophobicContact CE1-CD1 4.02Å; F338-I366 HydrophobicContact CE2-CD1 4.29Å; F338-I366 HydrophobicContact CG-CD1 3.67Å; F338-I366 HydrophobicContact CZ-CD1 4.31Å; F340-I366 HydrophobicContact CE1-CB 4.38Å; F340-I366 HydrophobicContact CE1-CD1 4.06Å; V352-I366 CarbonylContact C-O 3.44Å; V352-I366 WeakPolarHBondContact CA-O 3.37Å; M353-I366 PolarHBondContact N-O 3.49Å; M353-I366 PolarHBondContact O-N 2.81Å; A355-I366 HydrophobicContact CB-CD1 3.48Å; A355-I366 VanDerWaalsContact CB-CD1 3.48Å; A355-I366 HydrophobicContact CB-CG1 3.91Å; I366-I368 HydrophobicContact CG2-CD1 4.27Å; I366-I368 HydrophobicContact CG2-CG1 3.79Å; I366-Y413 HydrophobicContact CG2-CD1 4.02Å; I366-F414 CarbonylContact C-O 3.53Å; I366-F414 VanDerWaalsContact CA-O 3.26Å; I366-F414 WeakPolarHBondContact CA-O 3.3Å; I366-V415 HydrophobicContact CD1-CG2 4.36Å; I366-V415 HydrophobicContact CG1-CG1 4.37Å; I366-V415 HydrophobicContact CG1-CG2 4.41Å
367	K	94.7	Very high	86.5	Confident	25 Å²	25	46.9 Å²	46.9	11%	0.109	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	121.7	171	178.3	176.1	178.7	-176.6	0	108.7	V352 L369 E386 Y413 F414 M416 D480	V352-K367 HydrophobicContact CG2-CB 4.18Å; V352-K367 HydrophobicContact CG2-CG 4.25Å; K367-L369 HydrophobicContact CG-CD2 4.21Å; K367-E386 IonicContact NZ-OE1 3.78Å; K367-E386 PolarHBondContact NZ-OE1 3.13Å; K367-E386 IonicContact NZ-OE2 3.94Å; K367-E386 PolarHBondContact NZ-OE2 2.98Å; K367-Y413 WeakPolarHBondContact O-CA 3.45Å; K367-F414 HydrophobicContact CB-CB 4.21Å; K367-F414 PolarHBondContact N-O 3.11Å; K367-F414 PolarHBondContact O-N 3.47Å; K367-M416 HydrophobicContact CB-CE 3.65Å; K367-D480 IonicContact NZ-OD1 3.67Å; K367-D480 PolarHBondContact NZ-OD1 2.81Å
368	I	93.9	Very high	85.8	Confident	2 Å²	2	52.1 Å²	52.1	1%	0.01	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	113	-171.5	-50.3	174.6	0	0	0	108.6	F340 G350 K351 M353 I366 R411 L412 Y413 L636	F340-I368 HydrophobicContact CE1-CD1 3.79Å; F340-I368 HydrophobicContact CZ-CD1 3.82Å; G350-I368 CarbonylContact C-O 3.53Å; G350-I368 WeakPolarHBondContact CA-O 3.46Å; K351-I368 PolarHBondContact N-O 2.77Å; K351-I368 PolarHBondContact O-N 2.72Å; M353-I368 HydrophobicContact CB-CD1 4.47Å; M353-I368 HydrophobicContact CE-CD1 4.12Å; M353-I368 HydrophobicContact CG-CD1 4.03Å; M353-I368 HydrophobicContact SD-CD1 3.76Å; I366-I368 HydrophobicContact CG2-CD1 4.27Å; I366-I368 HydrophobicContact CG2-CG1 3.79Å; I368-R411 HydrophobicContact CG2-CB 4.36Å; I368-R411 HydrophobicContact CG2-CG 4.39Å; I368-L412 WeakPolarHBondContact CA-O 3.38Å; I368-Y413 HydrophobicContact CB-CD1 4.4Å; I368-Y413 HydrophobicContact CB-CE1 4.4Å; I368-Y413 HydrophobicContact CD1-CD1 4.15Å; I368-Y413 HydrophobicContact CD1-CE1 3.96Å; I368-Y413 HydrophobicContact CG1-CD1 3.77Å; I368-Y413 HydrophobicContact CG1-CE1 3.95Å; I368-Y413 HydrophobicContact CG2-CD1 4.02Å; I368-Y413 HydrophobicContact CG2-CE1 3.65Å; I368-L636 HydrophobicContact CD1-CD2 3.73Å; I368-L636 HydrophobicContact CG2-CD2 4.02Å
369	L	90.9	Very high	85.5	Confident	4 Å²	4	47.7 Å²	47.7	2%	0.021	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	142.9	178.6	-52.1	-178.8	0	0	0	109.6	F349 K367 V374 T383 R411 L412 F414	F349-L369 HydrophobicContact CB-CD2 3.85Å; K367-L369 HydrophobicContact CG-CD2 4.21Å; L369-V374 HydrophobicContact CB-CG2 4.05Å; L369-V374 HydrophobicContact CD1-CG2 4.35Å; L369-T383 HydrophobicContact CD1-CG2 3.85Å; L369-R411 CarbonylContact O-C 3.55Å; L369-R411 WeakPolarHBondContact O-CA 3.37Å; L369-R411 WeakPolarHBondContact O-CB 3.44Å; L369-L412 HydrophobicContact CB-CB 4.32Å; L369-L412 PolarHBondContact N-O 2.91Å; L369-L412 PolarHBondContact O-N 3.39Å; L369-F414 HydrophobicContact CD1-CE2 3.83Å; L369-F414 HydrophobicContact CG-CE2 4.43Å
370	K	88.7	Confident	85.4	Confident	65 Å²	65	44.3 Å²	44.3	28%	0.283	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	133.4	170.9	-56.6	-179.2	169.5	-173.1	0	109.9	F349 D372 V373 V374	F349-K370 PolarHBondContact O-N 3.05Å; K370-D372 WeakPolarHBondContact CB-OD1 3.4Å; K370-D372 PolarHBondContact O-N 3.26Å; K370-V373 HydrophobicContact CB-CB 4.27Å; K370-V373 HydrophobicContact CB-CG2 3.98Å; K370-V373 HydrophobicContact CD-CG2 3.97Å; K370-V373 PolarHBondContact O-N 3.43Å; K370-V374 WeakPolarHBondContact O-CG2 3.34Å; K370-V374 PolarHBondContact O-N 2.8Å; K370-V374 VanDerWaalsContact O-N 3.09Å
371	K	89.2	Confident	85.5	Confident	1 Å²	1	47.1 Å²	47.1	0%	0.004	24%	0.236	C	C	.	.	H	α-helix	trans	-64.1	-41.4	-176.5	-77.4	-178.9	168.1	178.4	0	112.6	V373 V374 I375 Q407 T408 D410 L412 I647 F652	K371-V373 PolarHBondContact O-N 2.82Å; K371-V374 PolarHBondContact O-N 3.49Å; K371-I375 VanDerWaalsContact O-CG1 3.28Å; K371-I375 WeakPolarHBondContact O-CG1 3.45Å; K371-I375 PolarHBondContact O-N 3.27Å; K371-Q407 VanDerWaalsContact CE-OE1 3.31Å; K371-T408 WeakPolarHBondContact CE-O 3.32Å; K371-T408 PolarHBondContact NZ-O 2.59Å; K371-D410 WeakPolarHBondContact CB-O 3.24Å; K371-D410 PolarHBondContact N-O 2.9Å; K371-L412 VanDerWaalsContact CE-CD2 3.5Å; K371-L412 HydrophobicContact CG-CD2 4.22Å; K371-L412 HydrophobicContact CG-CG 4.03Å; K371-I647 HydrophobicContact CB-CD1 3.93Å; K371-I647 HydrophobicContact CB-CG2 4.16Å; K371-I647 HydrophobicContact CD-CG2 4.23Å; K371-F652 HydrophobicContact CB-CD2 4.45Å; K371-F652 HydrophobicContact CB-CE2 3.71Å; K371-F652 HydrophobicContact CB-CZ 4.12Å; K371-F652 HydrophobicContact CD-CD2 3.69Å; K371-F652 HydrophobicContact CD-CE2 3.81Å; K371-F652 HydrophobicContact CD-CG 4.47Å; K371-F652 HydrophobicContact CG-CD2 3.86Å; K371-F652 HydrophobicContact CG-CE2 3.55Å; K371-F652 HydrophobicContact CG-CZ 4.01Å
372	D	81.7	Confident	85.7	Confident	49 Å²	49	43.1 Å²	43.1	26%	0.262	22%	0.221	S	C	.	.	H	α-helix	trans	-59.2	-44.1	177	61.7	-29.8	0	0	0	112.5	K370 I375 Q376 V643 I647	K370-D372 WeakPolarHBondContact CB-OD1 3.4Å; K370-D372 PolarHBondContact O-N 3.26Å; D372-I375 PolarHBondContact O-N 2.87Å; D372-Q376 WeakPolarHBondContact O-CB 3.47Å; D372-Q376 PolarHBondContact O-N 2.95Å; D372-V643 HydrophobicContact CB-CG1 3.37Å; D372-I647 HydrophobicContact CB-CD1 4.27Å
373	V	79.6	Confident	86	Confident	32 Å²	32	41.7 Å²	41.7	19%	0.194	22%	0.215	C	C	.	.	H	α-helix	trans	-65.5	-44.4	176.9	179.7	0	0	0	0	110.9	F349 K370 K371 I375 Q376 D377	F349-V373 HydrophobicContact CD1-CG1 4.32Å; K370-V373 HydrophobicContact CB-CB 4.27Å; K370-V373 HydrophobicContact CB-CG2 3.98Å; K370-V373 HydrophobicContact CD-CG2 3.97Å; K370-V373 PolarHBondContact O-N 3.43Å; K371-V373 PolarHBondContact O-N 2.82Å; V373-I375 VanDerWaalsContact C-N 3.34Å; V373-I375 PolarHBondContact O-N 2.91Å; V373-Q376 PolarHBondContact O-N 3.29Å; V373-D377 WeakPolarHBondContact O-CB 3.24Å; V373-D377 PolarHBondContact O-N 3.4Å
374	V	79.1	Confident	86.1	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-62	-40.5	178.3	172.8	0	0	0	0	111.9	L369 K370 K371 D378 D379 V380 T383 F652	L369-V374 HydrophobicContact CB-CG2 4.05Å; L369-V374 HydrophobicContact CD1-CG2 4.35Å; K370-V374 WeakPolarHBondContact O-CG2 3.34Å; K370-V374 PolarHBondContact O-N 2.8Å; K370-V374 VanDerWaalsContact O-N 3.09Å; K371-V374 PolarHBondContact O-N 3.49Å; V374-D378 PolarHBondContact O-N 2.82Å; V374-D379 HydrophobicContact CG1-CB 4.4Å; V374-D379 PolarHBondContact O-N 3.22Å; V374-V380 HydrophobicContact CG1-CG2 4.03Å; V374-T383 WeakPolarHBondContact CG1-OG1 3.21Å; V374-F652 HydrophobicContact CB-CZ 4.35Å; V374-F652 HydrophobicContact CG1-CE1 3.95Å; V374-F652 HydrophobicContact CG1-CZ 4.1Å
375	I	77.1	Confident	86.1	Confident	54 Å²	54	42 Å²	42	28%	0.277	22%	0.217	S	C	.	.	H	α-helix	trans	-68.6	-45.9	176.3	-67	172.9	0	0	0	110.6	K371 D372 V373 D377 D378 V380 I647 E651 F652	K371-I375 VanDerWaalsContact O-CG1 3.28Å; K371-I375 WeakPolarHBondContact O-CG1 3.45Å; K371-I375 PolarHBondContact O-N 3.27Å; D372-I375 PolarHBondContact O-N 2.87Å; V373-I375 VanDerWaalsContact C-N 3.34Å; V373-I375 PolarHBondContact O-N 2.91Å; I375-D377 PolarHBondContact O-N 2.93Å; I375-D378 PolarHBondContact O-N 3.06Å; I375-D378 VanDerWaalsContact O-N 3.08Å; I375-V380 HydrophobicContact CG1-CG2 4.08Å; I375-I647 HydrophobicContact CD1-CG2 3.82Å; I375-E651 WeakPolarHBondContact CG1-OE2 3.36Å; I375-F652 HydrophobicContact CD1-CE2 3.88Å; I375-F652 HydrophobicContact CD1-CZ 4.27Å; I375-F652 HydrophobicContact CG1-CE2 4.04Å; I375-F652 HydrophobicContact CG1-CZ 3.89Å
376	Q	73.3	Confident	86.2	Confident	154 Å²	154	41.7 Å²	41.7	72%	0.72	21%	0.213	S	C	*	.	H	α-helix	trans	-59.6	-35.8	-178.3	-179.8	178.5	-14.9	0	0	112.2	D372 V373	D372-Q376 WeakPolarHBondContact O-CB 3.47Å; D372-Q376 PolarHBondContact O-N 2.95Å; V373-Q376 PolarHBondContact O-N 3.29Å
377	D	71	Confident	86.1	Confident	76 Å²	76	43.1 Å²	43.1	41%	0.406	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	3	-179.4	-65.8	-15.9	0	0	0	113.2	F349 V373 I375 D379	F349-D377 HydrophobicContact CD1-CB 4.39Å; F349-D377 WeakPolarHBondContact CD1-OD2 3.24Å; F349-D377 HydrophobicContact CE1-CB 3.8Å; F349-D377 VanDerWaalsContact CE1-OD2 3.27Å; F349-D377 WeakPolarHBondContact CE1-OD2 3.27Å; V373-D377 WeakPolarHBondContact O-CB 3.24Å; V373-D377 PolarHBondContact O-N 3.4Å; I375-D377 PolarHBondContact O-N 2.93Å; D377-D379 VanDerWaalsContact C-N 3.27Å; D377-D379 PolarHBondContact O-N 3.19Å
378	D	75.8	Confident	86.2	Confident	144 Å²	144	46.3 Å²	46.3	77%	0.77	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	60	32.4	-178.7	-161.6	32.6	0	0	0	113.5	V374 I375	V374-D378 PolarHBondContact O-N 2.82Å; I375-D378 PolarHBondContact O-N 3.06Å; I375-D378 VanDerWaalsContact O-N 3.08Å
379	D	83.5	Confident	86.3	Confident	34 Å²	34	46.3 Å²	46.3	18%	0.182	23%	0.231	C	C	.	.			trans	-106	17.2	-171.7	-87.4	-46	0	0	0	114.2	F349 V374 D377 E381 C382 T383	F349-D379 HydrophobicContact CE1-CB 4.37Å; F349-D379 WeakPolarHBondContact CE1-OD2 3.38Å; F349-D379 HydrophobicContact CZ-CB 4.5Å; F349-D379 WeakPolarHBondContact CZ-OD2 3.4Å; V374-D379 HydrophobicContact CG1-CB 4.4Å; V374-D379 PolarHBondContact O-N 3.22Å; D377-D379 VanDerWaalsContact C-N 3.27Å; D377-D379 PolarHBondContact O-N 3.19Å; D379-E381 PolarHBondContact O-N 3.38Å; D379-C382 HydrophobicContact CB-CB 4.38Å; D379-C382 PolarHBondContact O-N 3.28Å; D379-C382 PolarHBondContact OD1-SG 2.96Å; D379-T383 WeakPolarHBondContact O-CB 3.42Å; D379-T383 PolarHBondContact O-N 3.02Å; D379-T383 PolarHBondContact O-OG1 3.39Å
380	V	87.8	Confident	86.4	Confident	16 Å²	16	46.2 Å²	46.2	10%	0.097	23%	0.231	C	C	.	.	H	α-helix	trans	-57.9	-49.9	177.4	176.2	0	0	0	0	110.8	V374 I375 C382 T383 M384 E651 F652	V374-V380 HydrophobicContact CG1-CG2 4.03Å; I375-V380 HydrophobicContact CG1-CG2 4.08Å; V380-C382 PolarHBondContact O-N 3.45Å; V380-T383 WeakPolarHBondContact O-CB 3.33Å; V380-T383 PolarHBondContact O-N 2.98Å; V380-M384 WeakPolarHBondContact O-CG 3.3Å; V380-M384 PolarHBondContact O-N 2.82Å; V380-E651 HydrophobicContact CG1-CB 4.13Å; V380-F652 HydrophobicContact CB-CE1 4.45Å; V380-F652 HydrophobicContact CG1-CD1 4.38Å; V380-F652 HydrophobicContact CG1-CE1 4.06Å; V380-F652 HydrophobicContact CG2-CE1 4.06Å; V380-F652 HydrophobicContact CG2-CZ 4.03Å
381	E	87.8	Confident	86.7	Confident	129 Å²	129	44 Å²	44	60%	0.603	23%	0.225	S	C	*	.	H	α-helix	trans	-64.7	-41.2	179.6	-76.5	-61.8	141.7	0	0	112	D379 T383 M384 V385	D379-E381 PolarHBondContact O-N 3.38Å; E381-T383 VanDerWaalsContact C-N 3.28Å; E381-T383 PolarHBondContact O-N 3.13Å; E381-M384 PolarHBondContact O-N 2.76Å; E381-V385 WeakPolarHBondContact O-CB 3.36Å; E381-V385 VanDerWaalsContact O-CG2 3.24Å; E381-V385 WeakPolarHBondContact O-CG2 2.88Å; E381-V385 PolarHBondContact O-N 3.45Å
382	C	87.6	Confident	86.8	Confident	44 Å²	44	45.6 Å²	45.6	30%	0.297	23%	0.232	S	C	.	.	H	α-helix	trans	-58.1	-43.1	174.8	-63.1	0	0	0	0	111	D379 V380 V385 E386	D379-C382 HydrophobicContact CB-CB 4.38Å; D379-C382 PolarHBondContact O-N 3.28Å; D379-C382 PolarHBondContact OD1-SG 2.96Å; V380-C382 PolarHBondContact O-N 3.45Å; C382-V385 PolarHBondContact O-N 2.82Å; C382-E386 PolarHBondContact O-N 3.02Å
383	T	91.7	Very high	87.2	Confident	6 Å²	6	48.8 Å²	48.8	4%	0.037	25%	0.245	C	C	.	.	H	α-helix	trans	-64.9	-40.7	177.5	-58.7	0	0	0	0	112.3	L369 V374 D379 V380 E381 E386 K387 L412 F414 F655	L369-T383 HydrophobicContact CD1-CG2 3.85Å; V374-T383 WeakPolarHBondContact CG1-OG1 3.21Å; D379-T383 WeakPolarHBondContact O-CB 3.42Å; D379-T383 PolarHBondContact O-N 3.02Å; D379-T383 PolarHBondContact O-OG1 3.39Å; V380-T383 WeakPolarHBondContact O-CB 3.33Å; V380-T383 PolarHBondContact O-N 2.98Å; E381-T383 VanDerWaalsContact C-N 3.28Å; E381-T383 PolarHBondContact O-N 3.13Å; T383-E386 PolarHBondContact O-N 3.23Å; T383-K387 PolarHBondContact O-N 3.42Å; T383-K387 VanDerWaalsContact O-N 3.12Å; T383-L412 HydrophobicContact CG2-CD1 3.56Å; T383-F414 HydrophobicContact CG2-CE2 4.19Å; T383-F414 HydrophobicContact CG2-CZ 4Å; T383-F655 HydrophobicContact CG2-CE2 4.09Å
384	M	92.8	Very high	87.7	Confident	22 Å²	22	53.3 Å²	53.3	11%	0.108	27%	0.268	C	S	.	.	H	α-helix	trans	-71.7	-34.3	177.4	-66.9	-60.1	-75.6	0	0	112.3	V380 E381 K387 R388 A653 F655	V380-M384 WeakPolarHBondContact O-CG 3.3Å; V380-M384 PolarHBondContact O-N 2.82Å; E381-M384 PolarHBondContact O-N 2.76Å; M384-K387 PolarHBondContact O-N 3.1Å; M384-R388 WeakPolarHBondContact O-CG 3.28Å; M384-R388 PolarHBondContact O-N 2.89Å; M384-R388 VanDerWaalsContact O-N 3.09Å; M384-A653 WeakPolarHBondContact CE-O 3.49Å; M384-F655 HydrophobicContact SD-CB 4.33Å; M384-F655 HydrophobicContact SD-CD2 3.89Å
385	V	93.1	Very high	88.4	Confident	14 Å²	14	55.1 Å²	55.1	9%	0.085	28%	0.276	C	S	.	.	H	α-helix	trans	-61.7	-49.5	170	168.1	0	0	0	0	110.2	E381 C382 K387 R388 V389 C484 E486	E381-V385 WeakPolarHBondContact O-CB 3.36Å; E381-V385 VanDerWaalsContact O-CG2 3.24Å; E381-V385 WeakPolarHBondContact O-CG2 2.88Å; E381-V385 PolarHBondContact O-N 3.45Å; C382-V385 PolarHBondContact O-N 2.82Å; V385-K387 VanDerWaalsContact C-N 3.26Å; V385-K387 PolarHBondContact O-N 3.15Å; V385-R388 PolarHBondContact O-N 2.82Å; V385-V389 HydrophobicContact CG1-CG2 4.09Å; V385-V389 WeakPolarHBondContact O-CG2 3.44Å; V385-V389 PolarHBondContact O-N 3.26Å; V385-C484 HydrophobicContact CG1-CB 4.09Å; V385-E486 HydrophobicContact CG1-CG 4.01Å
386	E	94.7	Very high	89.2	Confident	4 Å²	4	53.5 Å²	53.5	2%	0.019	27%	0.269	C	S	.	.	H	α-helix	trans	-53.9	-45.3	177.6	175.1	166.4	-159.2	0	0	111.1	K367 C382 T383 R388 V389 L390 F414 F481 G482	K367-E386 IonicContact NZ-OE1 3.78Å; K367-E386 PolarHBondContact NZ-OE1 3.13Å; K367-E386 IonicContact NZ-OE2 3.94Å; K367-E386 PolarHBondContact NZ-OE2 2.98Å; C382-E386 PolarHBondContact O-N 3.02Å; T383-E386 PolarHBondContact O-N 3.23Å; E386-R388 PolarHBondContact O-N 3.29Å; E386-V389 PolarHBondContact O-N 3.31Å; E386-L390 HydrophobicContact CG-CD1 3.81Å; E386-L390 VanDerWaalsContact O-CB 3.28Å; E386-L390 WeakPolarHBondContact O-CB 3.37Å; E386-L390 WeakPolarHBondContact O-CG 3.47Å; E386-L390 PolarHBondContact O-N 2.65Å; E386-F414 HydrophobicContact CG-CE1 4.02Å; E386-F414 HydrophobicContact CG-CZ 4.21Å; E386-F481 HydrophobicContact CG-CB 4.16Å; E386-G482 WeakPolarHBondContact OE2-CA 3.42Å
387	K	95.1	Very high	90.2	Very high	30 Å²	30	48 Å²	48	13%	0.13	25%	0.247	C	C	.	.	H	α-helix	trans	-59.6	-44.9	175.3	-178.5	-101.1	174.6	160.3	0	112.7	T383 M384 V385 A391 C405 F414 G654 F655	T383-K387 PolarHBondContact O-N 3.42Å; T383-K387 VanDerWaalsContact O-N 3.12Å; M384-K387 PolarHBondContact O-N 3.1Å; V385-K387 VanDerWaalsContact C-N 3.26Å; V385-K387 PolarHBondContact O-N 3.15Å; K387-A391 WeakPolarHBondContact O-CB 3.43Å; K387-A391 PolarHBondContact O-N 3.46Å; K387-C405 HydrophobicContact CG-CB 4.44Å; K387-F414 HydrophobicContact CB-CE1 3.77Å; K387-F414 HydrophobicContact CB-CZ 4.31Å; K387-F414 HydrophobicContact CG-CE1 4.47Å; K387-G654 PolarHBondContact NZ-O 3.06Å; K387-F655 HydrophobicContact CB-CE2 4.36Å; K387-F655 WeakPolarHBondContact CE-O 3.1Å
388	R	95.7	Very high	91.5	Very high	93 Å²	93	44.5 Å²	44.5	35%	0.351	23%	0.228	S	C	.	.	H	α-helix	trans	-67.7	-43.9	-179.4	-73.7	-172.9	-61.1	-93.7	2.5	112.1	M384 V385 E386 A391 Q392 E486	M384-R388 WeakPolarHBondContact O-CG 3.28Å; M384-R388 PolarHBondContact O-N 2.89Å; M384-R388 VanDerWaalsContact O-N 3.09Å; V385-R388 PolarHBondContact O-N 2.82Å; E386-R388 PolarHBondContact O-N 3.29Å; R388-A391 CarbonylContact O-C 3.55Å; R388-A391 PolarHBondContact O-N 3.46Å; R388-Q392 PolarHBondContact O-N 2.9Å; R388-E486 WeakPolarHBondContact CB-OE1 3.17Å; R388-E486 IonicContact CZ-OE2 3.8Å; R388-E486 VanDerWaalsContact CZ-OE2 3.25Å; R388-E486 IonicContact NE-OE1 3.96Å; R388-E486 IonicContact NE-OE2 2.69Å; R388-E486 PolarHBondContact NE-OE2 2.97Å; R388-E486 IonicContact NH2-OE2 2.7Å; R388-E486 PolarHBondContact NH2-OE2 3.26Å
389	V	95.4	Very high	92.5	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.006	19%	0.192	C	C	.	.	H	α-helix	trans	-62.4	-47	177.3	175	0	0	0	0	110.7	V385 E386 A391 Q392 L453 V458 F481 C484 E486	V385-V389 HydrophobicContact CG1-CG2 4.09Å; V385-V389 WeakPolarHBondContact O-CG2 3.44Å; V385-V389 PolarHBondContact O-N 3.26Å; E386-V389 PolarHBondContact O-N 3.31Å; V389-A391 VanDerWaalsContact C-N 3.26Å; V389-A391 PolarHBondContact O-N 3.11Å; V389-Q392 WeakPolarHBondContact O-CB 3.37Å; V389-Q392 WeakPolarHBondContact O-CG 3.45Å; V389-Q392 PolarHBondContact O-N 2.68Å; V389-L453 HydrophobicContact CG1-CD2 3.98Å; V389-V458 HydrophobicContact CG1-CG1 4.38Å; V389-V458 HydrophobicContact CG2-CG1 3.89Å; V389-V458 HydrophobicContact CG2-CG2 4.24Å; V389-F481 HydrophobicContact CG1-CB 4.24Å; V389-F481 HydrophobicContact CG1-CD1 3.58Å; V389-F481 HydrophobicContact CG1-CE1 4.25Å; V389-F481 HydrophobicContact CG1-CG 4.1Å; V389-C484 HydrophobicContact CG2-CB 4.06Å; V389-E486 HydrophobicContact CG2-CG 4.06Å
390	L	94.6	Very high	93	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.01	19%	0.185	C	C	.	.	H	α-helix	trans	-64.3	-30.7	177	-81.7	172	0	0	0	113.2	E386 Q392 K395 L402 F414 M416 F481	E386-L390 HydrophobicContact CG-CD1 3.81Å; E386-L390 VanDerWaalsContact O-CB 3.28Å; E386-L390 WeakPolarHBondContact O-CB 3.37Å; E386-L390 WeakPolarHBondContact O-CG 3.47Å; E386-L390 PolarHBondContact O-N 2.65Å; L390-Q392 VanDerWaalsContact C-N 3.34Å; L390-K395 PolarHBondContact O-NZ 3.31Å; L390-L402 HydrophobicContact CB-CB 4.06Å; L390-L402 HydrophobicContact CB-CD2 3.95Å; L390-L402 HydrophobicContact CB-CG 4.41Å; L390-L402 HydrophobicContact CD1-CD1 4.47Å; L390-F414 HydrophobicContact CD1-CD1 3.92Å; L390-F414 HydrophobicContact CD1-CE1 4.31Å; L390-M416 HydrophobicContact CD1-SD 4.42Å; L390-F481 HydrophobicContact CD2-CD2 3.41Å; L390-F481 VanDerWaalsContact CD2-CD2 3.41Å; L390-F481 HydrophobicContact CD2-CE2 3.6Å; L390-F481 HydrophobicContact CD2-CG 4.31Å; L390-F481 HydrophobicContact CG-CB 4.46Å; L390-F481 HydrophobicContact CG-CD2 3.84Å; L390-F481 HydrophobicContact CG-CE2 4.48Å; L390-F481 HydrophobicContact CG-CG 4.36Å
391	A	94.1	Very high	93.3	Very high	19 Å²	19	37.9 Å²	37.9	16%	0.157	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	0.4	179	0	0	0	0	0	114.3	K387 R388 V389 L402 F657	K387-A391 WeakPolarHBondContact O-CB 3.43Å; K387-A391 PolarHBondContact O-N 3.46Å; R388-A391 CarbonylContact O-C 3.55Å; R388-A391 PolarHBondContact O-N 3.46Å; V389-A391 VanDerWaalsContact C-N 3.26Å; V389-A391 PolarHBondContact O-N 3.11Å; A391-L402 HydrophobicContact CB-CD2 4.19Å; A391-F657 HydrophobicContact CB-CD1 3.91Å; A391-F657 HydrophobicContact CB-CE1 3.5Å; A391-F657 VanDerWaalsContact CB-CE1 3.5Å; A391-F657 HydrophobicContact CB-CE2 4.43Å; A391-F657 HydrophobicContact CB-CZ 3.8Å
392	Q	92.4	Very high	93.7	Very high	35 Å²	35	31.7 Å²	31.7	16%	0.164	16%	0.162	C	C	.	.			trans	-58.8	142.6	175	-72.2	-175.6	-32.6	0	0	111.2	R388 V389 L390 K395 F452	R388-Q392 PolarHBondContact O-N 2.9Å; V389-Q392 WeakPolarHBondContact O-CB 3.37Å; V389-Q392 WeakPolarHBondContact O-CG 3.45Å; V389-Q392 PolarHBondContact O-N 2.68Å; L390-Q392 VanDerWaalsContact C-N 3.34Å; Q392-K395 HydrophobicContact CB-CD 4.46Å; Q392-K395 HydrophobicContact CB-CG 4.29Å; Q392-K395 WeakPolarHBondContact O-CE 3.26Å; Q392-K395 WeakPolarHBondContact O-CG 3.47Å; Q392-F452 HydrophobicContact CB-CZ 4.44Å
393	Q	89.6	Confident	94.1	Very high	115 Å²	115	31 Å²	31	54%	0.537	15%	0.154	S	C	.	.	S	Bend	trans	-83.4	162.4	176.8	-66.4	-175.8	-25.9	0	0	110.8	K395	Q393-K395 PolarHBondContact O-N 3.15Å; Q393-K395 VanDerWaalsContact O-N 3.1Å
394	D	89.6	Confident	94.3	Very high	127 Å²	127	30.7 Å²	30.7	68%	0.679	15%	0.152	S	C	*	.	S	Bend	trans	55.7	31.1	172.4	-49.1	-36.6	0	0	0	114	F452 Q661	D394-F452 WeakPolarHBondContact O-CE2 3.4Å; D394-Q661 PolarHBondContact OD1-NE2 3.45Å
395	K	93.3	Very high	94.5	Very high	39 Å²	39	29.8 Å²	29.8	17%	0.17	15%	0.148	C	C	.	.			trans	-63.6	141	176.4	-68.5	-176.6	-63.1	177.8	0	110.4	L390 Q392 Q393 L399 T400 F452	L390-K395 PolarHBondContact O-NZ 3.31Å; Q392-K395 HydrophobicContact CB-CD 4.46Å; Q392-K395 HydrophobicContact CB-CG 4.29Å; Q392-K395 WeakPolarHBondContact O-CE 3.26Å; Q392-K395 WeakPolarHBondContact O-CG 3.47Å; Q393-K395 PolarHBondContact O-N 3.15Å; Q393-K395 VanDerWaalsContact O-N 3.1Å; K395-L399 HydrophobicContact CB-CD1 4.48Å; K395-L399 HydrophobicContact CD-CB 4.48Å; K395-L399 HydrophobicContact CD-CD1 4.45Å; K395-L399 HydrophobicContact CG-CD1 4.45Å; K395-T400 PolarHBondContact NZ-O 3.49Å; K395-F452 HydrophobicContact CB-CE1 4.43Å; K395-F452 HydrophobicContact CB-CZ 4.38Å; K395-F452 HydrophobicContact CG-CE1 3.79Å; K395-F452 HydrophobicContact CG-CZ 3.83Å
396	P	94.9	Very high	94.6	Very high	20 Å²	20	29.7 Å²	29.7	13%	0.13	15%	0.147	C	C	.	.			trans	-61.8	153.9	169.9	28.1	-34.8	0	0	0	109.8	F398 L399 V448 F452	P396-F398 PolarHBondContact O-N 2.9Å; P396-L399 HydrophobicContact CG-CD1 4.21Å; P396-L399 HydrophobicContact CG-CG 4.13Å; P396-L399 PolarHBondContact O-N 2.97Å; P396-V448 HydrophobicContact CB-CG1 3.79Å; P396-V448 HydrophobicContact CG-CG1 4.25Å; P396-F452 HydrophobicContact CG-CB 3.82Å; P396-F452 HydrophobicContact CG-CG 4.06Å
397	P	94.5	Very high	94.6	Very high	39 Å²	39	32.1 Å²	32.1	25%	0.253	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-14.6	-175.5	24.3	-33.7	0	0	0	113.6	L399 K477 R607	P397-L399 VanDerWaalsContact C-N 3.33Å; P397-K477 WeakPolarHBondContact O-CD 3.4Å; P397-K477 WeakPolarHBondContact O-CE 3.49Å; P397-K477 PolarHBondContact O-NZ 2.8Å; P397-R607 HydrophobicContact CB-CG 4.18Å; P397-R607 HydrophobicContact CG-CG 3.73Å
398	F	97.1	Very high	94.5	Very high	1 Å²	1	32.6 Å²	32.6	0%	0.004	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-1.2	-178.4	-47.1	-54.2	0	0	0	114.9	P396 E445 V448 I476 K477 I478 L604 R607	P396-F398 PolarHBondContact O-N 2.9Å; F398-E445 HydrophobicContact CD1-CB 3.85Å; F398-E445 HydrophobicContact CD1-CG 4.02Å; F398-E445 HydrophobicContact CD2-CB 4.1Å; F398-E445 HydrophobicContact CE1-CB 3.98Å; F398-E445 HydrophobicContact CE1-CG 3.62Å; F398-E445 WeakPolarHBondContact CE1-OE1 3.27Å; F398-E445 HydrophobicContact CE2-CB 4.19Å; F398-E445 HydrophobicContact CE2-CG 4.14Å; F398-E445 HydrophobicContact CG-CB 3.92Å; F398-E445 HydrophobicContact CG-CG 4.46Å; F398-E445 HydrophobicContact CZ-CB 4.13Å; F398-E445 HydrophobicContact CZ-CG 3.67Å; F398-V448 HydrophobicContact CD2-CB 3.83Å; F398-V448 HydrophobicContact CD2-CG1 3.71Å; F398-V448 HydrophobicContact CE2-CB 4.07Å; F398-V448 HydrophobicContact CE2-CG1 3.94Å; F398-V448 HydrophobicContact CE2-CG2 4.33Å; F398-I476 VanDerWaalsContact CA-O 3.29Å; F398-I476 WeakPolarHBondContact CA-O 3.33Å; F398-K477 CarbonylContact O-C 3.53Å; F398-K477 WeakPolarHBondContact O-CA 2.87Å; F398-I478 PolarHBondContact O-N 3.22Å; F398-L604 HydrophobicContact CZ-CG 4.38Å; F398-L604 WeakPolarHBondContact CZ-O 3.47Å; F398-R607 HydrophobicContact CE1-CG 4.33Å; F398-R607 HydrophobicContact CZ-CG 4.49Å
399	L	96.9	Very high	94.2	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.005	17%	0.172	C	C	.	.	B	Isolated β-bridge	trans	-102.8	142.2	170.9	-59.9	-177.4	0	0	0	110	K395 P396 P397 Q401 F452 L453 I478 F481	K395-L399 HydrophobicContact CB-CD1 4.48Å; K395-L399 HydrophobicContact CD-CB 4.48Å; K395-L399 HydrophobicContact CD-CD1 4.45Å; K395-L399 HydrophobicContact CG-CD1 4.45Å; P396-L399 HydrophobicContact CG-CD1 4.21Å; P396-L399 HydrophobicContact CG-CG 4.13Å; P396-L399 PolarHBondContact O-N 2.97Å; P397-L399 VanDerWaalsContact C-N 3.33Å; L399-Q401 PolarHBondContact O-N 2.94Å; L399-F452 HydrophobicContact CD1-CD1 3.63Å; L399-F452 HydrophobicContact CD1-CE1 4.1Å; L399-L453 HydrophobicContact CD1-CD2 4.16Å; L399-L453 HydrophobicContact CD1-CG 4.26Å; L399-I478 HydrophobicContact CD2-CB 3.84Å; L399-I478 HydrophobicContact CD2-CD1 3.89Å; L399-I478 HydrophobicContact CD2-CG1 4.22Å; L399-I478 HydrophobicContact CD2-CG2 4.48Å; L399-F481 HydrophobicContact CB-CZ 4.25Å; L399-F481 HydrophobicContact CD2-CE1 4.27Å; L399-F481 HydrophobicContact CD2-CZ 4.09Å
400	T	95.3	Very high	93.8	Very high	6 Å²	6	33.2 Å²	33.2	4%	0.037	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-59.7	132.3	177.3	-57.5	0	0	0	0	110.9	K395 M416 E417 I478 A479	K395-T400 PolarHBondContact NZ-O 3.49Å; T400-M416 HydrophobicContact CG2-CB 4.13Å; T400-E417 WeakPolarHBondContact CA-OE1 3.35Å; T400-E417 HydrophobicContact CG2-CG 3.98Å; T400-I478 WeakPolarHBondContact CB-O 3.03Å; T400-I478 PolarHBondContact N-O 3.23Å; T400-I478 PolarHBondContact OG1-O 3.39Å; T400-A479 WeakPolarHBondContact OG1-CA 3.5Å
401	Q	94.1	Very high	93.8	Very high	48 Å²	48	33.9 Å²	33.9	22%	0.224	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-85.3	140.5	179.2	-64.5	-171.7	80.6	0	0	112	L399 M416 E417 F662	L399-Q401 PolarHBondContact O-N 2.94Å; Q401-M416 WeakPolarHBondContact O-CA 3.5Å; Q401-E417 HydrophobicContact CB-CB 4.41Å; Q401-E417 HydrophobicContact CB-CG 4.12Å; Q401-E417 WeakPolarHBondContact CG-OE1 3.32Å; Q401-E417 PolarHBondContact N-OE1 2.91Å; Q401-E417 PolarHBondContact NE2-OE2 2.95Å; Q401-E417 PolarHBondContact O-N 2.87Å; Q401-F662 HydrophobicContact CB-CD2 3.93Å; Q401-F662 HydrophobicContact CB-CE2 3.84Å
402	L	95.8	Very high	93.8	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	125.3	173.9	-178.4	72.1	0	0	0	108.2	L390 A391 F414 V415 M416 F657 N659	L390-L402 HydrophobicContact CB-CB 4.06Å; L390-L402 HydrophobicContact CB-CD2 3.95Å; L390-L402 HydrophobicContact CB-CG 4.41Å; L390-L402 HydrophobicContact CD1-CD1 4.47Å; A391-L402 HydrophobicContact CB-CD2 4.19Å; L402-F414 HydrophobicContact CD1-CB 4.34Å; L402-F414 HydrophobicContact CD1-CD1 4.35Å; L402-V415 WeakPolarHBondContact CD1-O 3.47Å; L402-M416 HydrophobicContact CD1-CG 4.21Å; L402-F657 HydrophobicContact CD2-CD1 3.82Å; L402-F657 HydrophobicContact CD2-CE1 4.02Å; L402-N659 WeakPolarHBondContact O-CB 3.11Å; L402-N659 PolarHBondContact O-ND2 3.22Å
403	H	95.1	Very high	94	Very high	28 Å²	28	31.5 Å²	31.5	13%	0.13	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	-53.1	170.3	170.4	-88.7	0	0	0	110.3	Y364 V415 N659 F662	Y364-H403 HydrophobicContact CD1-CB 4.23Å; Y364-H403 HydrophobicContact CE1-CB 3.84Å; Y364-H403 AromaticContact CE1-CD2 3.88Å; Y364-H403 AromaticContact CE1-CG 3.79Å; H403-V415 HydrophobicContact CB-CB 4.39Å; H403-V415 HydrophobicContact CB-CG1 4.09Å; H403-V415 WeakPolarHBondContact CB-O 3.02Å; H403-V415 PolarHBondContact N-O 3.35Å; H403-N659 WeakPolarHBondContact O-CB 3.29Å; H403-N659 PolarHBondContact O-N 2.73Å; H403-F662 HydrophobicContact CB-CD1 4.18Å; H403-F662 HydrophobicContact CB-CD2 4.02Å; H403-F662 HydrophobicContact CB-CE1 4.19Å; H403-F662 HydrophobicContact CB-CE2 4.04Å; H403-F662 HydrophobicContact CB-CG 4.08Å; H403-F662 HydrophobicContact CB-CZ 4.13Å; H403-F662 AromaticContact CD2-CD1 3.56Å; H403-F662 AromaticContact CD2-CE1 3.84Å
404	S	95.9	Very high	94.3	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	156.8	-177.6	58.4	0	0	0	0	112.1	V415 F657	S404-V415 PolarHBondContact N-O 2.76Å; S404-V415 WeakPolarHBondContact O-CA 3.24Å; S404-V415 VanDerWaalsContact O-CB 3.31Å; S404-V415 WeakPolarHBondContact O-CB 3.02Å; S404-V415 PolarHBondContact O-N 2.94Å; S404-V415 WeakPolarHBondContact OG-CB 3.35Å; S404-V415 WeakPolarHBondContact OG-CG2 3.25Å; S404-F657 CarbonylContact C-O 3.19Å; S404-F657 WeakPolarHBondContact CA-O 3.35Å; S404-F657 VanDerWaalsContact CB-O 3.3Å; S404-F657 WeakPolarHBondContact CB-O 3.5Å
405	C	96.6	Very high	94.7	Very high	3 Å²	3	20 Å²	20	2%	0.02	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	140.8	164.1	-67.5	0	0	0	0	109.9	K387 Y413 F414 F655 S656 F657	K387-C405 HydrophobicContact CG-CB 4.44Å; C405-Y413 VanDerWaalsContact CA-O 3.25Å; C405-Y413 WeakPolarHBondContact CA-O 3.4Å; C405-F414 WeakPolarHBondContact SG-CD1 3.46Å; C405-F655 HydrophobicContact CB-CD1 4.05Å; C405-F655 HydrophobicContact CB-CE1 3.64Å; C405-F655 HydrophobicContact CB-CZ 4.07Å; C405-F655 WeakPolarHBondContact CB-O 3.48Å; C405-S656 CarbonylContact O-C 3.51Å; C405-S656 VanDerWaalsContact O-CA 3.28Å; C405-S656 WeakPolarHBondContact O-CA 3.5Å; C405-F657 HydrophobicContact CB-CB 4.4Å; C405-F657 PolarHBondContact N-O 3.07Å; C405-F657 PolarHBondContact O-N 3.29Å; C405-F657 VanDerWaalsContact O-O 3.14Å
406	F	96.1	Very high	94.8	Very high	13 Å²	13	19 Å²	19	6%	0.057	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	167	169.7	67.7	-90.5	0	0	0	110.4	V333 L335 F338 Y413 V415 F655	V333-F406 HydrophobicContact CB-CD1 4.4Å; V333-F406 HydrophobicContact CG1-CD1 3.86Å; V333-F406 HydrophobicContact CG1-CE1 4.01Å; V333-F406 WeakPolarHBondContact O-CB 3.36Å; L335-F406 HydrophobicContact CB-CE2 4.02Å; L335-F406 HydrophobicContact CB-CZ 4.37Å; L335-F406 HydrophobicContact CD1-CZ 4.38Å; F338-F406 HydrophobicContact CD2-CE1 4.42Å; F338-F406 HydrophobicContact CD2-CZ 4.47Å; F338-F406 AromaticContact CE2-CE1 3.85Å; F338-F406 HydrophobicContact CE2-CE1 3.85Å; F338-F406 HydrophobicContact CE2-CZ 4.32Å; F406-Y413 AromaticContact CD2-CD2 3.73Å; F406-Y413 HydrophobicContact CD2-CD2 3.73Å; F406-Y413 HydrophobicContact CD2-CE2 4.46Å; F406-Y413 AromaticContact CD2-CG 3.98Å; F406-Y413 HydrophobicContact CD2-CG 3.98Å; F406-Y413 HydrophobicContact CE1-CG 4.16Å; F406-Y413 AromaticContact CE2-CD1 3.9Å; F406-Y413 HydrophobicContact CE2-CD1 3.9Å; F406-Y413 AromaticContact CE2-CD2 3.38Å; F406-Y413 HydrophobicContact CE2-CD2 3.38Å; F406-Y413 HydrophobicContact CE2-CE1 4.38Å; F406-Y413 AromaticContact CE2-CE2 3.93Å; F406-Y413 HydrophobicContact CE2-CE2 3.93Å; F406-Y413 AromaticContact CE2-CG 3.38Å; F406-Y413 HydrophobicContact CE2-CG 3.38Å; F406-Y413 AromaticContact CZ-CD1 3.73Å; F406-Y413 HydrophobicContact CZ-CD1 3.73Å; F406-Y413 HydrophobicContact CZ-CD2 4.02Å; F406-Y413 HydrophobicContact CZ-CE1 4.45Å; F406-Y413 AromaticContact CZ-CG 3.49Å; F406-Y413 HydrophobicContact CZ-CG 3.49Å; F406-Y413 VanDerWaalsContact CZ-CG 3.49Å; F406-Y413 PolarHBondContact N-O 3.02Å; F406-Y413 WeakPolarHBondContact O-CB 3.39Å; F406-Y413 PolarHBondContact O-N 3.43Å; F406-V415 HydrophobicContact CD1-CG2 4.07Å; F406-V415 HydrophobicContact CE1-CG2 3.66Å; F406-F655 VanDerWaalsContact O-CE1 3.24Å; F406-F655 WeakPolarHBondContact O-CE1 3.48Å
407	Q	94.9	Very high	94.6	Very high	55 Å²	55	18.5 Å²	18.5	26%	0.257	10%	0.099	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	151.3	-177.8	58.5	178.4	-46.4	0	0	111.8	K371 R411 L412 F652 F655	K371-Q407 VanDerWaalsContact CE-OE1 3.31Å; Q407-R411 WeakPolarHBondContact CA-O 3.37Å; Q407-R411 WeakPolarHBondContact CB-O 3.48Å; Q407-L412 HydrophobicContact CB-CD2 3.69Å; Q407-F652 PolarHBondContact NE2-O 3.35Å; Q407-F655 HydrophobicContact CB-CD1 4.09Å
408	T	92.3	Very high	94.4	Very high	40 Å²	40	18 Å²	18	25%	0.245	9%	0.092	C	C	.	.			trans	-107.9	-175.3	166.3	58.6	0	0	0	0	109.3	K371 D410 R411 Y413	K371-T408 WeakPolarHBondContact CE-O 3.32Å; K371-T408 PolarHBondContact NZ-O 2.59Å; T408-D410 PolarHBondContact O-N 2.81Å; T408-D410 PolarHBondContact OG1-OD1 3.27Å; T408-R411 PolarHBondContact N-O 3.25Å; T408-R411 WeakPolarHBondContact OG1-CB 3.16Å; T408-R411 PolarHBondContact OG1-N 3.34Å; T408-R411 VanDerWaalsContact OG1-N 3.15Å; T408-Y413 HydrophobicContact CG2-CE2 3.7Å
409	V	89.3	Confident	94.1	Very high	85 Å²	85	18.2 Å²	18.2	52%	0.515	9%	0.094	S	C	.	.	S	Bend	trans	-62.4	-26.5	176.3	-64.2	0	0	0	0	113	I644 Q649	V409-I644 HydrophobicContact CB-CG2 3.96Å; V409-I644 HydrophobicContact CG2-CD1 3.91Å; V409-I644 HydrophobicContact CG2-CG1 4.41Å; V409-I644 HydrophobicContact CG2-CG2 4.1Å; V409-Q649 PolarHBondContact O-NE2 3.46Å
410	D	87.7	Confident	93.5	Very high	22 Å²	22	19.8 Å²	19.8	12%	0.118	10%	0.102	C	C	.	.	S	Bend	trans	-118	-14.7	-173	66.4	-39.8	0	0	0	114.4	K371 T408 P639 I644	K371-D410 WeakPolarHBondContact CB-O 3.24Å; K371-D410 PolarHBondContact N-O 2.9Å; T408-D410 PolarHBondContact O-N 2.81Å; T408-D410 PolarHBondContact OG1-OD1 3.27Å; D410-P639 HydrophobicContact CB-CB 4.46Å; D410-I644 HydrophobicContact CB-CD1 3.96Å; D410-I644 HydrophobicContact CB-CG1 3.86Å
411	R	93.6	Very high	93	Very high	16 Å²	16	19.5 Å²	19.5	6%	0.06	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	157.8	-168.4	-68.5	161.8	-170.5	-79.3	0.1	114	I368 L369 Q407 T408 Y413 T637	I368-R411 HydrophobicContact CG2-CB 4.36Å; I368-R411 HydrophobicContact CG2-CG 4.39Å; L369-R411 CarbonylContact O-C 3.55Å; L369-R411 WeakPolarHBondContact O-CA 3.37Å; L369-R411 WeakPolarHBondContact O-CB 3.44Å; Q407-R411 WeakPolarHBondContact CA-O 3.37Å; Q407-R411 WeakPolarHBondContact CB-O 3.48Å; T408-R411 PolarHBondContact N-O 3.25Å; T408-R411 WeakPolarHBondContact OG1-CB 3.16Å; T408-R411 PolarHBondContact OG1-N 3.34Å; T408-R411 VanDerWaalsContact OG1-N 3.15Å; R411-Y413 HydrophobicContact CB-CD2 4.33Å; R411-Y413 HydrophobicContact CB-CE2 3.5Å; R411-Y413 VanDerWaalsContact CB-CE2 3.5Å; R411-Y413 VanDerWaalsContact CD-OH 3.27Å; R411-Y413 WeakPolarHBondContact CD-OH 3.43Å; R411-T637 PolarHBondContact NH2-O 3.19Å
412	L	95.1	Very high	92.7	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	139.7	172.1	-55.8	174.6	0	0	0	109.3	I368 L369 K371 T383 Q407 F652 F655	I368-L412 WeakPolarHBondContact CA-O 3.38Å; L369-L412 HydrophobicContact CB-CB 4.32Å; L369-L412 PolarHBondContact N-O 2.91Å; L369-L412 PolarHBondContact O-N 3.39Å; K371-L412 VanDerWaalsContact CE-CD2 3.5Å; K371-L412 HydrophobicContact CG-CD2 4.22Å; K371-L412 HydrophobicContact CG-CG 4.03Å; T383-L412 HydrophobicContact CG2-CD1 3.56Å; Q407-L412 HydrophobicContact CB-CD2 3.69Å; L412-F652 HydrophobicContact CD1-CD1 3.63Å; L412-F652 HydrophobicContact CD1-CE1 3.63Å; L412-F652 HydrophobicContact CD1-CG 4.42Å; L412-F652 HydrophobicContact CD1-CZ 4.41Å; L412-F652 HydrophobicContact CD2-CB 4.15Å; L412-F652 HydrophobicContact CD2-CD1 4.03Å; L412-F652 HydrophobicContact CD2-CG 4.06Å; L412-F652 HydrophobicContact CG-CD1 4.36Å; L412-F655 HydrophobicContact CB-CE1 3.92Å; L412-F655 HydrophobicContact CB-CE2 4.11Å; L412-F655 HydrophobicContact CB-CZ 3.69Å; L412-F655 HydrophobicContact CD1-CD2 4.34Å; L412-F655 HydrophobicContact CD1-CE2 4.1Å; L412-F655 HydrophobicContact CD2-CD1 3.94Å; L412-F655 HydrophobicContact CD2-CD2 4.09Å; L412-F655 HydrophobicContact CD2-CE1 4.16Å; L412-F655 HydrophobicContact CD2-CE2 4.31Å; L412-F655 HydrophobicContact CD2-CG 3.92Å; L412-F655 HydrophobicContact CD2-CZ 4.36Å; L412-F655 HydrophobicContact CG-CE2 4.41Å; L412-F655 HydrophobicContact CG-CZ 4.41Å
413	Y	96.5	Very high	92.4	Very high	3 Å²	3	18.9 Å²	18.9	1%	0.012	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	121.7	-175.2	-60.5	-100.4	0	0	0	110.2	L335 I366 K367 I368 C405 F406 T408 R411 L636	L335-Y413 HydrophobicContact CD1-CD1 4.13Å; L335-Y413 HydrophobicContact CD1-CE1 3.45Å; L335-Y413 VanDerWaalsContact CD1-CE1 3.45Å; I366-Y413 HydrophobicContact CG2-CD1 4.02Å; K367-Y413 WeakPolarHBondContact O-CA 3.45Å; I368-Y413 HydrophobicContact CB-CD1 4.4Å; I368-Y413 HydrophobicContact CB-CE1 4.4Å; I368-Y413 HydrophobicContact CD1-CD1 4.15Å; I368-Y413 HydrophobicContact CD1-CE1 3.96Å; I368-Y413 HydrophobicContact CG1-CD1 3.77Å; I368-Y413 HydrophobicContact CG1-CE1 3.95Å; I368-Y413 HydrophobicContact CG2-CD1 4.02Å; I368-Y413 HydrophobicContact CG2-CE1 3.65Å; C405-Y413 VanDerWaalsContact CA-O 3.25Å; C405-Y413 WeakPolarHBondContact CA-O 3.4Å; F406-Y413 AromaticContact CD2-CD2 3.73Å; F406-Y413 HydrophobicContact CD2-CD2 3.73Å; F406-Y413 HydrophobicContact CD2-CE2 4.46Å; F406-Y413 AromaticContact CD2-CG 3.98Å; F406-Y413 HydrophobicContact CD2-CG 3.98Å; F406-Y413 HydrophobicContact CE1-CG 4.16Å; F406-Y413 AromaticContact CE2-CD1 3.9Å; F406-Y413 HydrophobicContact CE2-CD1 3.9Å; F406-Y413 AromaticContact CE2-CD2 3.38Å; F406-Y413 HydrophobicContact CE2-CD2 3.38Å; F406-Y413 HydrophobicContact CE2-CE1 4.38Å; F406-Y413 AromaticContact CE2-CE2 3.93Å; F406-Y413 HydrophobicContact CE2-CE2 3.93Å; F406-Y413 AromaticContact CE2-CG 3.38Å; F406-Y413 HydrophobicContact CE2-CG 3.38Å; F406-Y413 AromaticContact CZ-CD1 3.73Å; F406-Y413 HydrophobicContact CZ-CD1 3.73Å; F406-Y413 HydrophobicContact CZ-CD2 4.02Å; F406-Y413 HydrophobicContact CZ-CE1 4.45Å; F406-Y413 AromaticContact CZ-CG 3.49Å; F406-Y413 HydrophobicContact CZ-CG 3.49Å; F406-Y413 VanDerWaalsContact CZ-CG 3.49Å; F406-Y413 PolarHBondContact N-O 3.02Å; F406-Y413 WeakPolarHBondContact O-CB 3.39Å; F406-Y413 PolarHBondContact O-N 3.43Å; T408-Y413 HydrophobicContact CG2-CE2 3.7Å; R411-Y413 HydrophobicContact CB-CD2 4.33Å; R411-Y413 HydrophobicContact CB-CE2 3.5Å; R411-Y413 VanDerWaalsContact CB-CE2 3.5Å; R411-Y413 VanDerWaalsContact CD-OH 3.27Å; R411-Y413 WeakPolarHBondContact CD-OH 3.43Å; Y413-L636 HydrophobicContact CE1-CD1 4.45Å
414	F	96.7	Very high	92.2	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	114	168.3	-62.4	-101.6	0	0	0	108.5	I366 K367 L369 T383 E386 K387 L390 L402 C405 M416 F655	I366-F414 CarbonylContact C-O 3.53Å; I366-F414 VanDerWaalsContact CA-O 3.26Å; I366-F414 WeakPolarHBondContact CA-O 3.3Å; K367-F414 HydrophobicContact CB-CB 4.21Å; K367-F414 PolarHBondContact N-O 3.11Å; K367-F414 PolarHBondContact O-N 3.47Å; L369-F414 HydrophobicContact CD1-CE2 3.83Å; L369-F414 HydrophobicContact CG-CE2 4.43Å; T383-F414 HydrophobicContact CG2-CE2 4.19Å; T383-F414 HydrophobicContact CG2-CZ 4Å; E386-F414 HydrophobicContact CG-CE1 4.02Å; E386-F414 HydrophobicContact CG-CZ 4.21Å; K387-F414 HydrophobicContact CB-CE1 3.77Å; K387-F414 HydrophobicContact CB-CZ 4.31Å; K387-F414 HydrophobicContact CG-CE1 4.47Å; L390-F414 HydrophobicContact CD1-CD1 3.92Å; L390-F414 HydrophobicContact CD1-CE1 4.31Å; L402-F414 HydrophobicContact CD1-CB 4.34Å; L402-F414 HydrophobicContact CD1-CD1 4.35Å; C405-F414 WeakPolarHBondContact SG-CD1 3.46Å; F414-M416 HydrophobicContact CB-CG 4.37Å; F414-F655 HydrophobicContact CD1-CZ 4.35Å; F414-F655 AromaticContact CD2-CZ 3.93Å; F414-F655 HydrophobicContact CD2-CZ 3.93Å; F414-F655 HydrophobicContact CE1-CE2 4.04Å; F414-F655 AromaticContact CE1-CZ 4Å; F414-F655 HydrophobicContact CE1-CZ 4Å; F414-F655 AromaticContact CE2-CE2 3.78Å; F414-F655 HydrophobicContact CE2-CE2 3.78Å; F414-F655 AromaticContact CE2-CZ 3.52Å; F414-F655 HydrophobicContact CE2-CZ 3.52Å; F414-F655 HydrophobicContact CG-CZ 4.33Å; F414-F655 AromaticContact CZ-CE2 3.46Å; F414-F655 HydrophobicContact CZ-CE2 3.46Å; F414-F655 VanDerWaalsContact CZ-CE2 3.46Å; F414-F655 AromaticContact CZ-CZ 3.57Å; F414-F655 HydrophobicContact CZ-CZ 3.57Å
415	V	96.4	Very high	91.7	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	108.9	176.5	-172.9	0	0	0	0	107.9	F338 Y364 I366 L402 H403 S404 F406	F338-V415 HydrophobicContact CE1-CG1 4.03Å; F338-V415 HydrophobicContact CE2-CG2 4.18Å; F338-V415 HydrophobicContact CZ-CG1 3.87Å; F338-V415 HydrophobicContact CZ-CG2 3.91Å; Y364-V415 HydrophobicContact CD1-CG1 3.64Å; Y364-V415 HydrophobicContact CE1-CG1 4.32Å; Y364-V415 HydrophobicContact CG-CG1 3.78Å; I366-V415 HydrophobicContact CD1-CG2 4.36Å; I366-V415 HydrophobicContact CG1-CG1 4.37Å; I366-V415 HydrophobicContact CG1-CG2 4.41Å; L402-V415 WeakPolarHBondContact CD1-O 3.47Å; H403-V415 HydrophobicContact CB-CB 4.39Å; H403-V415 HydrophobicContact CB-CG1 4.09Å; H403-V415 WeakPolarHBondContact CB-O 3.02Å; H403-V415 PolarHBondContact N-O 3.35Å; S404-V415 PolarHBondContact N-O 2.76Å; S404-V415 WeakPolarHBondContact O-CA 3.24Å; S404-V415 VanDerWaalsContact O-CB 3.31Å; S404-V415 WeakPolarHBondContact O-CB 3.02Å; S404-V415 PolarHBondContact O-N 2.94Å; S404-V415 WeakPolarHBondContact OG-CB 3.35Å; S404-V415 WeakPolarHBondContact OG-CG2 3.25Å; F406-V415 HydrophobicContact CD1-CG2 4.07Å; F406-V415 HydrophobicContact CE1-CG2 3.66Å
416	M	95	Very high	91.1	Very high	20 Å²	20	21.7 Å²	21.7	10%	0.099	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	160.9	-174.7	-56.4	173.4	-64.7	0	0	110.7	Y364 A365 K367 L390 T400 Q401 L402 F414	Y364-M416 WeakPolarHBondContact CA-O 3.35Å; A365-M416 PolarHBondContact N-O 2.95Å; A365-M416 WeakPolarHBondContact O-CB 3.42Å; A365-M416 PolarHBondContact O-N 3.4Å; K367-M416 HydrophobicContact CB-CE 3.65Å; L390-M416 HydrophobicContact CD1-SD 4.42Å; T400-M416 HydrophobicContact CG2-CB 4.13Å; Q401-M416 WeakPolarHBondContact O-CA 3.5Å; L402-M416 HydrophobicContact CD1-CG 4.21Å; F414-M416 HydrophobicContact CB-CG 4.37Å
417	E	91.9	Very high	90.6	Very high	9 Å²	9	21.5 Å²	21.5	4%	0.042	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57	141.2	170.6	66.7	-177.5	149.6	0	0	111	T400 Q401 V419 K477 F662	T400-E417 WeakPolarHBondContact CA-OE1 3.35Å; T400-E417 HydrophobicContact CG2-CG 3.98Å; Q401-E417 HydrophobicContact CB-CB 4.41Å; Q401-E417 HydrophobicContact CB-CG 4.12Å; Q401-E417 WeakPolarHBondContact CG-OE1 3.32Å; Q401-E417 PolarHBondContact N-OE1 2.91Å; Q401-E417 PolarHBondContact NE2-OE2 2.95Å; Q401-E417 PolarHBondContact O-N 2.87Å; E417-V419 HydrophobicContact CG-CG2 4.03Å; E417-V419 PolarHBondContact O-N 2.97Å; E417-K477 WeakPolarHBondContact OE1-CE 3.46Å; E417-K477 IonicContact OE1-NZ 3.69Å; E417-K477 PolarHBondContact OE1-NZ 2.7Å; E417-K477 IonicContact OE2-NZ 3.69Å; E417-K477 PolarHBondContact OE2-NZ 3.18Å; E417-F662 HydrophobicContact CB-CE2 4.11Å; E417-F662 HydrophobicContact CB-CZ 4.31Å
418	Y	91.1	Very high	90.2	Very high	27 Å²	27	19.1 Å²	19.1	11%	0.106	10%	0.097	C	C	.	.			trans	-83.9	112.9	174.9	176.6	-127.8	0	0	0	110.8	L344 L354 L363 A365 N420 G621 F625	L344-Y418 HydrophobicContact CD1-CD2 3.99Å; L344-Y418 HydrophobicContact CD1-CE2 3.78Å; L344-Y418 HydrophobicContact CD2-CE2 4.2Å; L354-Y418 HydrophobicContact CD1-CD1 3.85Å; L354-Y418 HydrophobicContact CD1-CD2 3.65Å; L354-Y418 HydrophobicContact CD1-CE1 3.9Å; L354-Y418 HydrophobicContact CD1-CE2 3.72Å; L354-Y418 HydrophobicContact CD1-CG 3.71Å; L363-Y418 HydrophobicContact CB-CD1 3.97Å; L363-Y418 HydrophobicContact CB-CG 4.43Å; L363-Y418 HydrophobicContact CD1-CD1 4.14Å; L363-Y418 HydrophobicContact CD1-CE1 4.28Å; L363-Y418 WeakPolarHBondContact O-CB 3.2Å; A365-Y418 HydrophobicContact CB-CD2 4.5Å; Y418-N420 HydrophobicContact CD1-CB 4.15Å; Y418-N420 HydrophobicContact CE1-CB 3.59Å; Y418-G621 PolarHBondContact OH-O 3.43Å; Y418-F625 HydrophobicContact CE2-CD2 4.48Å; Y418-F625 AromaticContact CE2-CE2 3.48Å; Y418-F625 HydrophobicContact CE2-CE2 3.48Å; Y418-F625 VanDerWaalsContact CE2-CE2 3.48Å; Y418-F625 AromaticContact CE2-CZ 3.73Å; Y418-F625 HydrophobicContact CE2-CZ 3.73Å; Y418-F625 AromaticContact CZ-CE2 3.83Å; Y418-F625 WeakPolarHBondContact OH-CE2 3.45Å
419	V	90.4	Very high	89.6	Confident	7 Å²	7	19.8 Å²	19.8	4%	0.042	10%	0.098	C	C	.	.			trans	-99.6	110.3	178.8	-175.4	0	0	0	0	109.4	E417 M469 L470 D471 K477 F625	E417-V419 HydrophobicContact CG-CG2 4.03Å; E417-V419 PolarHBondContact O-N 2.97Å; V419-M469 HydrophobicContact CB-CB 4.43Å; V419-M469 HydrophobicContact CB-CE 4.22Å; V419-M469 HydrophobicContact CB-SD 4.23Å; V419-M469 HydrophobicContact CG1-CB 3.66Å; V419-M469 HydrophobicContact CG1-CE 4.39Å; V419-M469 HydrophobicContact CG1-SD 4.43Å; V419-M469 WeakPolarHBondContact O-CE 3.24Å; V419-L470 WeakPolarHBondContact CG1-O 3.27Å; V419-D471 HydrophobicContact CG1-CB 4.49Å; V419-K477 HydrophobicContact CG1-CB 4.05Å; V419-K477 HydrophobicContact CG1-CG 4.02Å; V419-K477 HydrophobicContact CG2-CB 4.07Å; V419-K477 HydrophobicContact CG2-CG 3.96Å; V419-F625 VanDerWaalsContact O-CZ 3.31Å; V419-F625 WeakPolarHBondContact O-CZ 3.28Å
420	N	83.6	Confident	89.2	Confident	33 Å²	33	21.3 Å²	21.3	18%	0.176	10%	0.099	C	C	.	.			trans	-107.7	1.8	-164.8	64.5	1.6	0	0	0	115.5	Y418 G422 S472 V617 N624	Y418-N420 HydrophobicContact CD1-CB 4.15Å; Y418-N420 HydrophobicContact CE1-CB 3.59Å; N420-G422 VanDerWaalsContact C-N 3.28Å; N420-G422 PolarHBondContact O-N 3.41Å; N420-S472 PolarHBondContact OD1-N 3.08Å; N420-V617 WeakPolarHBondContact ND2-CG1 3.42Å; N420-N624 PolarHBondContact O-ND2 2.88Å
421	G	84.8	Confident	89.2	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.12	C	C	.	.	S	Bend	trans	-79.9	-6.6	-179.5	0	0	0	0	0	114	H427 L470	G421-H427 PolarHBondContact O-CE1 3.47Å; G421-H427 VanDerWaalsContact O-CE1 3.24Å; G421-H427 PolarHBondContact O-NE2 3.12Å; G421-L470 CarbonylContact C-O 3.56Å; G421-L470 WeakPolarHBondContact CA-O 3.28Å; G421-L470 PolarHBondContact N-O 3.48Å
422	G	87.6	Confident	88.8	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.136	C	C	.	.			trans	82.5	161.3	-175.2	0	0	0	0	0	112.7	N420 L470	N420-G422 VanDerWaalsContact C-N 3.28Å; N420-G422 PolarHBondContact O-N 3.41Å; G422-L470 PolarHBondContact O-N 3.28Å
423	D	89.3	Confident	88.7	Confident	35 Å²	35	30 Å²	30	19%	0.187	16%	0.155	C	C	.	.	B	Isolated β-bridge	trans	-79.1	160.3	177.5	58.3	71.7	0	0	0	113.4	M425 Y426 H427 V468 M469	D423-M425 PolarHBondContact O-N 2.81Å; D423-M425 WeakPolarHBondContact OD1-CA 3.04Å; D423-M425 WeakPolarHBondContact OD1-CB 3.22Å; D423-M425 PolarHBondContact OD1-N 3.48Å; D423-M425 VanDerWaalsContact OD1-N 3.14Å; D423-Y426 WeakPolarHBondContact O-CB 3.3Å; D423-Y426 PolarHBondContact O-N 3.4Å; D423-Y426 WeakPolarHBondContact OD1-CB 3.49Å; D423-Y426 PolarHBondContact OD1-N 3.15Å; D423-H427 PolarHBondContact O-CD2 3.49Å; D423-H427 PolarHBondContact O-N 2.77Å; D423-V468 CarbonylContact C-O 3.56Å; D423-V468 WeakPolarHBondContact CA-O 3.4Å; D423-M469 HydrophobicContact CB-CG 4.31Å
424	L	90.6	Very high	88.6	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-64.2	-26.2	180	-71	-172	0	0	0	112.3	H427 I428 F434 Y442 I446 L465 V468 L470 I476 M530	L424-H427 PolarHBondContact O-N 2.77Å; L424-I428 WeakPolarHBondContact O-CB 3.47Å; L424-I428 PolarHBondContact O-N 2.85Å; L424-F434 HydrophobicContact CD2-CE2 4.18Å; L424-F434 HydrophobicContact CD2-CZ 4.27Å; L424-Y442 HydrophobicContact CD2-CD2 3.96Å; L424-Y442 HydrophobicContact CD2-CE2 3.94Å; L424-I446 HydrophobicContact CD1-CD1 4.41Å; L424-L465 HydrophobicContact CB-CB 4.45Å; L424-L465 HydrophobicContact CB-CD2 3.79Å; L424-L465 HydrophobicContact CD1-CD2 4.31Å; L424-L465 PolarHBondContact N-O 3.03Å; L424-V468 HydrophobicContact CD1-CB 3.96Å; L424-V468 HydrophobicContact CD1-CG1 3.53Å; L424-V468 HydrophobicContact CG-CB 4.18Å; L424-V468 HydrophobicContact CG-CG1 3.91Å; L424-V468 WeakPolarHBondContact CG-O 3.32Å; L424-V468 PolarHBondContact N-O 3.35Å; L424-L470 HydrophobicContact CD2-CD1 4.34Å; L424-L470 HydrophobicContact CD2-CD2 3.88Å; L424-L470 HydrophobicContact CD2-CG 4.03Å; L424-I476 HydrophobicContact CD1-CD1 3.87Å; L424-I476 HydrophobicContact CD2-CD1 4.09Å; L424-I476 HydrophobicContact CG-CD1 4.18Å; L424-M530 HydrophobicContact CD1-SD 4.11Å
425	M	87.3	Confident	88.6	Confident	17 Å²	17	38 Å²	38	8%	0.084	19%	0.19	C	C	.	.	H	α-helix	trans	-62.6	-49	174.6	178.9	68.1	79.1	0	0	110.3	L123 D423 H427 I428 Q429 L465 D466	L123-M425 HydrophobicContact CD2-CE 3.33Å; L123-M425 HydrophobicContact CD2-SD 3.54Å; L123-M425 VanDerWaalsContact CD2-SD 3.54Å; D423-M425 PolarHBondContact O-N 2.81Å; D423-M425 WeakPolarHBondContact OD1-CA 3.04Å; D423-M425 WeakPolarHBondContact OD1-CB 3.22Å; D423-M425 PolarHBondContact OD1-N 3.48Å; D423-M425 VanDerWaalsContact OD1-N 3.14Å; M425-H427 VanDerWaalsContact C-N 3.32Å; M425-H427 PolarHBondContact O-N 2.89Å; M425-I428 WeakPolarHBondContact O-CG2 3.46Å; M425-I428 PolarHBondContact O-N 3.47Å; M425-I428 HydrophobicContact SD-CG2 4.41Å; M425-Q429 WeakPolarHBondContact O-CB 3.44Å; M425-Q429 VanDerWaalsContact O-CG 3.25Å; M425-Q429 WeakPolarHBondContact O-CG 3.3Å; M425-Q429 PolarHBondContact O-N 2.83Å; M425-L465 HydrophobicContact CB-CB 3.88Å; M425-L465 HydrophobicContact CE-CB 4.02Å; M425-L465 HydrophobicContact CE-CD1 4.22Å; M425-L465 HydrophobicContact SD-CD1 4.25Å; M425-D466 WeakPolarHBondContact CE-OD2 3.48Å
426	Y	83.4	Confident	88.6	Confident	73 Å²	73	40.9 Å²	40.9	29%	0.286	20%	0.203	S	C	.	.	H	α-helix	trans	-57.2	-45	175.3	173	-102.4	0	0	0	111.9	D423 Q429 Q430	D423-Y426 WeakPolarHBondContact O-CB 3.3Å; D423-Y426 PolarHBondContact O-N 3.4Å; D423-Y426 WeakPolarHBondContact OD1-CB 3.49Å; D423-Y426 PolarHBondContact OD1-N 3.15Å; Y426-Q429 PolarHBondContact O-N 2.93Å; Y426-Q430 PolarHBondContact O-N 2.98Å; Y426-Q430 PolarHBondContact OH-NE2 3.08Å
427	H	86.3	Confident	88.7	Confident	10 Å²	10	44.4 Å²	44.4	5%	0.046	23%	0.228	C	C	.	.	H	α-helix	trans	-68	-42.4	180	-70.8	-63.3	0	0	0	112.7	G421 D423 L424 M425 Q429 Q430 V431 F434 F613	G421-H427 PolarHBondContact O-CE1 3.47Å; G421-H427 VanDerWaalsContact O-CE1 3.24Å; G421-H427 PolarHBondContact O-NE2 3.12Å; D423-H427 PolarHBondContact O-CD2 3.49Å; D423-H427 PolarHBondContact O-N 2.77Å; L424-H427 PolarHBondContact O-N 2.77Å; M425-H427 VanDerWaalsContact C-N 3.32Å; M425-H427 PolarHBondContact O-N 2.89Å; H427-Q429 VanDerWaalsContact C-N 3.29Å; H427-Q429 PolarHBondContact O-N 2.76Å; H427-Q430 PolarHBondContact O-N 3.11Å; H427-V431 WeakPolarHBondContact O-CG2 3.45Å; H427-V431 PolarHBondContact O-N 3.29Å; H427-F434 HydrophobicContact CB-CE1 4.03Å; H427-F434 HydrophobicContact CB-CZ 3.91Å; H427-F613 AromaticContact CE1-CE1 3.47Å; H427-F613 VanDerWaalsContact CE1-CE1 3.47Å; H427-F613 WeakPolarHBondContact CE1-CE1 3.31Å; H427-F613 AromaticContact CE1-CZ 3.92Å; H427-F613 AromaticContact ND1-CE1 3.52Å; H427-F613 AromaticContact ND1-CZ 3.83Å
428	I	85.5	Confident	89	Confident	4 Å²	4	45.6 Å²	45.6	2%	0.021	23%	0.233	C	C	.	.	H	α-helix	trans	-65.9	-35.4	179.6	-152.6	171.5	0	0	0	111.1	L424 M425 Q430 V431 G432 F434 L465 E529	L424-I428 WeakPolarHBondContact O-CB 3.47Å; L424-I428 PolarHBondContact O-N 2.85Å; M425-I428 WeakPolarHBondContact O-CG2 3.46Å; M425-I428 PolarHBondContact O-N 3.47Å; M425-I428 HydrophobicContact SD-CG2 4.41Å; I428-Q430 PolarHBondContact O-N 3Å; I428-V431 PolarHBondContact O-N 2.97Å; I428-G432 CarbonylContact O-C 3.6Å; I428-G432 VanDerWaalsContact O-CA 3.23Å; I428-G432 WeakPolarHBondContact O-CA 3.43Å; I428-G432 PolarHBondContact O-N 2.91Å; I428-F434 HydrophobicContact CB-CE1 4.29Å; I428-F434 HydrophobicContact CB-CE2 4.44Å; I428-F434 HydrophobicContact CB-CZ 3.96Å; I428-F434 HydrophobicContact CG1-CE1 4.46Å; I428-F434 HydrophobicContact CG1-CZ 4.35Å; I428-L465 HydrophobicContact CD1-CD1 4.42Å; I428-L465 HydrophobicContact CG2-CD1 4.03Å; I428-E529 VanDerWaalsContact CD1-O 3.28Å; I428-E529 WeakPolarHBondContact CD1-O 3.47Å
429	Q	80.7	Confident	89.3	Confident	55 Å²	55	44.3 Å²	44.3	26%	0.257	23%	0.228	S	C	.	.	H	α-helix	trans	-61.4	-30.9	175.4	-75.5	175.3	-2.6	0	0	112.9	M425 Y426 H427	M425-Q429 WeakPolarHBondContact O-CB 3.44Å; M425-Q429 VanDerWaalsContact O-CG 3.25Å; M425-Q429 WeakPolarHBondContact O-CG 3.3Å; M425-Q429 PolarHBondContact O-N 2.83Å; Y426-Q429 PolarHBondContact O-N 2.93Å; H427-Q429 VanDerWaalsContact C-N 3.29Å; H427-Q429 PolarHBondContact O-N 2.76Å
430	Q	79.6	Confident	89.7	Confident	117 Å²	117	44.6 Å²	44.6	55%	0.547	23%	0.23	S	C	.	.	H	α-helix	trans	-76	-40.2	177.8	-66.2	-172.3	15.7	0	0	113.3	Y426 H427 I428	Y426-Q430 PolarHBondContact O-N 2.98Å; Y426-Q430 PolarHBondContact OH-NE2 3.08Å; H427-Q430 PolarHBondContact O-N 3.11Å; I428-Q430 PolarHBondContact O-N 3Å
431	V	87.3	Confident	90.4	Very high	90 Å²	90	43.5 Å²	43.5	55%	0.545	22%	0.224	S	C	.	.	H	α-helix	trans	-102.4	-7.2	-172.6	-57.1	0	0	0	0	113.4	H427 I428 K433 F434	H427-V431 WeakPolarHBondContact O-CG2 3.45Å; H427-V431 PolarHBondContact O-N 3.29Å; I428-V431 PolarHBondContact O-N 2.97Å; V431-K433 PolarHBondContact O-N 3.03Å; V431-F434 HydrophobicContact CG2-CD1 3.73Å; V431-F434 HydrophobicContact CG2-CE1 3.79Å
432	G	85.8	Confident	91.1	Very high	40 Å²	40	43.5 Å²	43.5	41%	0.412	22%	0.224	S	C	.	.	S	Bend	trans	77.6	-47.3	-175.6	0	0	0	0	0	113.6	I428 G533	I428-G432 CarbonylContact O-C 3.6Å; I428-G432 VanDerWaalsContact O-CA 3.23Å; I428-G432 WeakPolarHBondContact O-CA 3.43Å; I428-G432 PolarHBondContact O-N 2.91Å; G432-G533 WeakPolarHBondContact O-CA 3.23Å
433	K	92.4	Very high	91.6	Very high	90 Å²	90	43.5 Å²	43.5	39%	0.391	22%	0.224	S	C	.	.	S	Bend	trans	-156.7	154.7	173.3	65.9	-175.7	-177.1	178.4	0	111.5	V431 S559	V431-K433 PolarHBondContact O-N 3.03Å; K433-S559 PolarHBondContact NZ-OG 2.88Å
434	F	95.3	Very high	92	Very high	7 Å²	7	41.8 Å²	41.8	3%	0.031	22%	0.215	C	C	.	.			trans	-79.7	150	175.3	-59.5	-37.1	0	0	0	111.6	L424 H427 I428 V431 Q438 A439 Y442 M530	L424-F434 HydrophobicContact CD2-CE2 4.18Å; L424-F434 HydrophobicContact CD2-CZ 4.27Å; H427-F434 HydrophobicContact CB-CE1 4.03Å; H427-F434 HydrophobicContact CB-CZ 3.91Å; I428-F434 HydrophobicContact CB-CE1 4.29Å; I428-F434 HydrophobicContact CB-CE2 4.44Å; I428-F434 HydrophobicContact CB-CZ 3.96Å; I428-F434 HydrophobicContact CG1-CE1 4.46Å; I428-F434 HydrophobicContact CG1-CZ 4.35Å; V431-F434 HydrophobicContact CG2-CD1 3.73Å; V431-F434 HydrophobicContact CG2-CE1 3.79Å; F434-Q438 HydrophobicContact CB-CB 4.31Å; F434-Q438 HydrophobicContact CB-CG 4.1Å; F434-Q438 HydrophobicContact CD1-CG 4.43Å; F434-Q438 HydrophobicContact CG-CG 4.18Å; F434-A439 HydrophobicContact CB-CB 4.41Å; F434-Y442 HydrophobicContact CD2-CD2 4.19Å; F434-Y442 HydrophobicContact CD2-CE2 4.36Å; F434-Y442 HydrophobicContact CE2-CD2 4.16Å; F434-Y442 HydrophobicContact CE2-CE2 4.2Å; F434-Y442 HydrophobicContact CZ-CE2 4.47Å; F434-M530 HydrophobicContact CD2-CB 3.83Å; F434-M530 HydrophobicContact CD2-CG 3.69Å; F434-M530 HydrophobicContact CD2-SD 3.92Å; F434-M530 HydrophobicContact CE2-CG 3.94Å; F434-M530 HydrophobicContact CE2-SD 4.12Å; F434-M530 PolarHBondContact N-O 3.43Å
435	K	96.2	Very high	92.4	Very high	165 Å²	165	41.8 Å²	41.8	72%	0.717	22%	0.215	S	C	*	.			trans	-70.5	148.9	167.9	-65.3	179.7	-177.6	173.5	0	108.6	Q438 A439	K435-Q438 WeakPolarHBondContact O-CA 3.13Å; K435-Q438 WeakPolarHBondContact O-CB 3.47Å; K435-Q438 PolarHBondContact O-N 2.85Å; K435-A439 PolarHBondContact O-N 2.75Å
436	E	97.3	Very high	93	Very high	59 Å²	59	41 Å²	41	28%	0.276	21%	0.211	S	C	.	.	H	α-helix	trans	-52	-44.8	-176.8	-173.1	170.9	143.2	0	0	114.1	Q438 A439 V440 L531 S561 F595	E436-Q438 VanDerWaalsContact C-N 3.25Å; E436-Q438 PolarHBondContact O-N 2.86Å; E436-A439 PolarHBondContact O-N 2.93Å; E436-V440 HydrophobicContact CG-CG2 4.2Å; E436-V440 WeakPolarHBondContact O-CG2 3.42Å; E436-V440 PolarHBondContact O-N 3.49Å; E436-L531 HydrophobicContact CB-CD2 4.21Å; E436-L531 HydrophobicContact CG-CD2 4.14Å; E436-S561 WeakPolarHBondContact OE1-CB 3.48Å; E436-S561 PolarHBondContact OE1-OG 3.16Å; E436-S561 WeakPolarHBondContact OE2-CB 3.21Å; E436-S561 PolarHBondContact OE2-OG 3.06Å; E436-F595 HydrophobicContact CG-CE2 4.01Å
437	P	96.8	Very high	93.7	Very high	94 Å²	94	37.5 Å²	37.5	61%	0.61	20%	0.197	S	C	*	.	H	α-helix	trans	-60	-33.6	176.3	-24.5	35.5	0	0	0	114.2	F441	P437-F441 PolarHBondContact O-N 3.42Å
438	Q	97.1	Very high	94.3	Very high	34 Å²	34	37.4 Å²	37.4	16%	0.159	20%	0.197	C	C	.	.	H	α-helix	trans	-72.1	-44.6	176.7	176.9	176.8	16.4	0	0	110.9	F434 K435 E436 V440 F441 Y442 P612	F434-Q438 HydrophobicContact CB-CB 4.31Å; F434-Q438 HydrophobicContact CB-CG 4.1Å; F434-Q438 HydrophobicContact CD1-CG 4.43Å; F434-Q438 HydrophobicContact CG-CG 4.18Å; K435-Q438 WeakPolarHBondContact O-CA 3.13Å; K435-Q438 WeakPolarHBondContact O-CB 3.47Å; K435-Q438 PolarHBondContact O-N 2.85Å; E436-Q438 VanDerWaalsContact C-N 3.25Å; E436-Q438 PolarHBondContact O-N 2.86Å; Q438-V440 VanDerWaalsContact C-N 3.34Å; Q438-V440 PolarHBondContact O-N 2.8Å; Q438-F441 PolarHBondContact O-N 3.18Å; Q438-Y442 HydrophobicContact CG-CD2 3.98Å; Q438-Y442 HydrophobicContact CG-CE2 3.47Å; Q438-Y442 VanDerWaalsContact CG-CE2 3.47Å; Q438-Y442 PolarHBondContact NE2-OH 3.25Å; Q438-Y442 PolarHBondContact O-N 3.41Å; Q438-Y442 VanDerWaalsContact O-N 3.11Å; Q438-P612 HydrophobicContact CB-CB 4.1Å; Q438-P612 HydrophobicContact CB-CG 4.07Å; Q438-P612 HydrophobicContact CG-CB 4.21Å; Q438-P612 HydrophobicContact CG-CG 3.78Å
439	A	98.1	Very high	94.9	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-62.8	-39.4	175.5	0	0	0	0	0	112.2	F434 K435 E436 A443 L527 M530 L531	F434-A439 HydrophobicContact CB-CB 4.41Å; K435-A439 PolarHBondContact O-N 2.75Å; E436-A439 PolarHBondContact O-N 2.93Å; A439-A443 WeakPolarHBondContact O-CB 3.45Å; A439-A443 PolarHBondContact O-N 3.3Å; A439-L527 HydrophobicContact CB-CD1 4.49Å; A439-M530 HydrophobicContact CB-CB 4.05Å; A439-L531 HydrophobicContact CB-CD2 3.61Å; A439-L531 HydrophobicContact CB-CG 4.02Å
440	V	98.6	Very high	95.7	Very high	14 Å²	14	34.6 Å²	34.6	9%	0.085	18%	0.184	C	C	.	.	H	α-helix	trans	-60.1	-45.6	175.5	172.9	0	0	0	0	111	E436 Q438 A444 F595 F596 I599	E436-V440 HydrophobicContact CG-CG2 4.2Å; E436-V440 WeakPolarHBondContact O-CG2 3.42Å; E436-V440 PolarHBondContact O-N 3.49Å; Q438-V440 VanDerWaalsContact C-N 3.34Å; Q438-V440 PolarHBondContact O-N 2.8Å; V440-A444 WeakPolarHBondContact O-CB 3.23Å; V440-A444 PolarHBondContact O-N 2.87Å; V440-F595 HydrophobicContact CB-CE1 4.17Å; V440-F595 HydrophobicContact CB-CZ 4.29Å; V440-F595 HydrophobicContact CG2-CD1 4.04Å; V440-F595 HydrophobicContact CG2-CD2 4.15Å; V440-F595 HydrophobicContact CG2-CE1 3.53Å; V440-F595 HydrophobicContact CG2-CE2 3.64Å; V440-F595 HydrophobicContact CG2-CG 4.33Å; V440-F595 HydrophobicContact CG2-CZ 3.3Å; V440-F596 HydrophobicContact CG1-CD1 3.97Å; V440-F596 HydrophobicContact CG1-CE1 4.46Å; V440-I599 HydrophobicContact CG1-CD1 3.95Å; V440-I599 HydrophobicContact CG1-CG1 3.72Å
441	F	98.6	Very high	96.6	Very high	9 Å²	9	29.6 Å²	29.6	4%	0.039	16%	0.16	C	C	.	.	H	α-helix	trans	-62.1	-54.4	179.5	179.1	-90.8	0	0	0	111.6	P437 Q438 A443 A444 E445 H475 L604 I609 P611 P612	P437-F441 PolarHBondContact O-N 3.42Å; Q438-F441 PolarHBondContact O-N 3.18Å; F441-A443 PolarHBondContact O-N 3.45Å; F441-A444 PolarHBondContact O-N 2.8Å; F441-E445 VanDerWaalsContact CE1-CD 3.46Å; F441-E445 HydrophobicContact CE1-CG 4.32Å; F441-E445 WeakPolarHBondContact CE1-OE1 3.15Å; F441-E445 WeakPolarHBondContact CE1-OE2 3.23Å; F441-E445 HydrophobicContact CZ-CG 4.44Å; F441-E445 WeakPolarHBondContact CZ-OE1 3.42Å; F441-E445 PolarHBondContact O-N 2.87Å; F441-E445 VanDerWaalsContact O-N 3.16Å; F441-H475 AromaticContact CZ-ND1 3.87Å; F441-L604 HydrophobicContact CD2-CD1 4.04Å; F441-L604 HydrophobicContact CE2-CD1 3.72Å; F441-L604 HydrophobicContact CZ-CD1 4.34Å; F441-I609 HydrophobicContact CD2-CG2 4Å; F441-I609 HydrophobicContact CE2-CB 4.05Å; F441-I609 HydrophobicContact CE2-CG2 3.68Å; F441-P611 HydrophobicContact CE1-CB 4.08Å; F441-P611 HydrophobicContact CE1-CG 4.34Å; F441-P611 HydrophobicContact CZ-CB 4.14Å; F441-P611 HydrophobicContact CZ-CG 4.03Å; F441-P612 HydrophobicContact CB-CG 4.19Å; F441-P612 HydrophobicContact CD1-CG 3.89Å; F441-P612 HydrophobicContact CG-CG 4.15Å
442	Y	98.6	Very high	97.1	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-63.7	-40.2	179.8	-62.3	-30.9	0	0	0	112.6	L424 F434 Q438 A444 E445 I446 L470 I476 M530 P612	L424-Y442 HydrophobicContact CD2-CD2 3.96Å; L424-Y442 HydrophobicContact CD2-CE2 3.94Å; F434-Y442 HydrophobicContact CD2-CD2 4.19Å; F434-Y442 HydrophobicContact CD2-CE2 4.36Å; F434-Y442 HydrophobicContact CE2-CD2 4.16Å; F434-Y442 HydrophobicContact CE2-CE2 4.2Å; F434-Y442 HydrophobicContact CZ-CE2 4.47Å; Q438-Y442 HydrophobicContact CG-CD2 3.98Å; Q438-Y442 HydrophobicContact CG-CE2 3.47Å; Q438-Y442 VanDerWaalsContact CG-CE2 3.47Å; Q438-Y442 PolarHBondContact NE2-OH 3.25Å; Q438-Y442 PolarHBondContact O-N 3.41Å; Q438-Y442 VanDerWaalsContact O-N 3.11Å; Y442-A444 VanDerWaalsContact C-N 3.3Å; Y442-A444 PolarHBondContact O-N 2.97Å; Y442-E445 PolarHBondContact O-N 3.3Å; Y442-I446 WeakPolarHBondContact O-CD1 3Å; Y442-I446 WeakPolarHBondContact O-CG1 3.42Å; Y442-I446 PolarHBondContact O-N 3.38Å; Y442-L470 HydrophobicContact CD1-CD2 4.31Å; Y442-L470 HydrophobicContact CE1-CD2 3.79Å; Y442-I476 HydrophobicContact CD1-CD1 3.77Å; Y442-I476 HydrophobicContact CD1-CG1 3.81Å; Y442-I476 HydrophobicContact CG-CD1 3.89Å; Y442-I476 HydrophobicContact CG-CG1 4.25Å; Y442-M530 HydrophobicContact CD2-SD 4.37Å; Y442-P612 HydrophobicContact CE1-CG 4.06Å
443	A	98.8	Very high	97.6	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-60.3	-42	176.5	0	0	0	0	0	111.3	A439 F441 I446 A447 Y523 L527 M530 F596	A439-A443 WeakPolarHBondContact O-CB 3.45Å; A439-A443 PolarHBondContact O-N 3.3Å; F441-A443 PolarHBondContact O-N 3.45Å; A443-I446 PolarHBondContact O-N 3.5Å; A443-A447 WeakPolarHBondContact O-CB 3.38Å; A443-A447 PolarHBondContact O-N 3.41Å; A443-Y523 VanDerWaalsContact C-OH 3.24Å; A443-Y523 HydrophobicContact CB-CE2 4.28Å; A443-Y523 WeakPolarHBondContact CB-OH 3.32Å; A443-Y523 WeakPolarHBondContact O-CE2 3.2Å; A443-Y523 PolarHBondContact O-OH 2.89Å; A443-L527 HydrophobicContact CB-CD1 3.87Å; A443-M530 HydrophobicContact CB-CE 4.02Å; A443-F596 HydrophobicContact CB-CE1 4.06Å; A443-F596 HydrophobicContact CB-CZ 4.25Å
444	A	98.8	Very high	97.8	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-62.8	-44.1	177.6	0	0	0	0	0	112.2	V440 F441 Y442 A447 V448 F596 I599 W601 L604	V440-A444 WeakPolarHBondContact O-CB 3.23Å; V440-A444 PolarHBondContact O-N 2.87Å; F441-A444 PolarHBondContact O-N 2.8Å; Y442-A444 VanDerWaalsContact C-N 3.3Å; Y442-A444 PolarHBondContact O-N 2.97Å; A444-A447 PolarHBondContact O-N 3.48Å; A444-V448 WeakPolarHBondContact O-CG2 3.42Å; A444-V448 PolarHBondContact O-N 3.27Å; A444-V448 VanDerWaalsContact O-N 3.09Å; A444-F596 HydrophobicContact CB-CD1 4.04Å; A444-F596 HydrophobicContact CB-CE1 4.02Å; A444-I599 HydrophobicContact CB-CG1 4.18Å; A444-I599 HydrophobicContact CB-CG2 4.1Å; A444-W601 HydrophobicContact CB-CH2 3.83Å; A444-W601 HydrophobicContact CB-CZ3 3.84Å; A444-W601 WeakPolarHBondContact O-CZ3 3.42Å; A444-L604 HydrophobicContact CB-CD2 3.38Å
445	E	98.6	Very high	97.8	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-65.2	-40.6	177	-64.1	-169.3	148.1	0	0	112.4	F398 F441 Y442 A447 V448 G449 H475 I476 L604	F398-E445 HydrophobicContact CD1-CB 3.85Å; F398-E445 HydrophobicContact CD1-CG 4.02Å; F398-E445 HydrophobicContact CD2-CB 4.1Å; F398-E445 HydrophobicContact CE1-CB 3.98Å; F398-E445 HydrophobicContact CE1-CG 3.62Å; F398-E445 WeakPolarHBondContact CE1-OE1 3.27Å; F398-E445 HydrophobicContact CE2-CB 4.19Å; F398-E445 HydrophobicContact CE2-CG 4.14Å; F398-E445 HydrophobicContact CG-CB 3.92Å; F398-E445 HydrophobicContact CG-CG 4.46Å; F398-E445 HydrophobicContact CZ-CB 4.13Å; F398-E445 HydrophobicContact CZ-CG 3.67Å; F441-E445 VanDerWaalsContact CE1-CD 3.46Å; F441-E445 HydrophobicContact CE1-CG 4.32Å; F441-E445 WeakPolarHBondContact CE1-OE1 3.15Å; F441-E445 WeakPolarHBondContact CE1-OE2 3.23Å; F441-E445 HydrophobicContact CZ-CG 4.44Å; F441-E445 WeakPolarHBondContact CZ-OE1 3.42Å; F441-E445 PolarHBondContact O-N 2.87Å; F441-E445 VanDerWaalsContact O-N 3.16Å; Y442-E445 PolarHBondContact O-N 3.3Å; E445-A447 VanDerWaalsContact C-N 3.32Å; E445-A447 PolarHBondContact O-N 3.09Å; E445-V448 PolarHBondContact O-N 3.47Å; E445-G449 PolarHBondContact O-N 3.31Å; E445-H475 IonicContact OE1-CE1 3.01Å; E445-H475 IonicContact OE1-CG 2.78Å; E445-H475 IonicContact OE1-ND1 2.9Å; E445-H475 PolarHBondContact OE1-ND1 2.88Å; E445-I476 HydrophobicContact CB-CB 3.84Å; E445-I476 HydrophobicContact CB-CG1 3.93Å; E445-I476 WeakPolarHBondContact OE2-CB 3.05Å; E445-I476 WeakPolarHBondContact OE2-CG1 3.35Å; E445-I476 PolarHBondContact OE2-N 2.95Å; E445-L604 HydrophobicContact CG-CD1 3.83Å; E445-L604 HydrophobicContact CG-CD2 4.14Å; E445-L604 HydrophobicContact CG-CG 4.1Å
446	I	98.8	Very high	97.8	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-60.9	-43.9	173.9	-65.4	161.4	0	0	0	110.3	L424 Y442 A443 V448 G449 L450 L463 V468 I476 I478 Y523 L526	L424-I446 HydrophobicContact CD1-CD1 4.41Å; Y442-I446 WeakPolarHBondContact O-CD1 3Å; Y442-I446 WeakPolarHBondContact O-CG1 3.42Å; Y442-I446 PolarHBondContact O-N 3.38Å; A443-I446 PolarHBondContact O-N 3.5Å; I446-V448 VanDerWaalsContact C-N 3.34Å; I446-V448 PolarHBondContact O-N 3.34Å; I446-G449 PolarHBondContact O-N 2.93Å; I446-G449 VanDerWaalsContact O-N 3.16Å; I446-L450 HydrophobicContact CG2-CD1 4.34Å; I446-L450 PolarHBondContact O-N 2.94Å; I446-L463 HydrophobicContact CG2-CD1 4.02Å; I446-L463 HydrophobicContact CG2-CD2 4.18Å; I446-V468 HydrophobicContact CD1-CG1 3.97Å; I446-V468 HydrophobicContact CD1-CG2 4.45Å; I446-V468 HydrophobicContact CG1-CG1 3.98Å; I446-I476 HydrophobicContact CG1-CD1 4.48Å; I446-I476 HydrophobicContact CG1-CG1 4.44Å; I446-I476 HydrophobicContact CG1-CG2 3.89Å; I446-I478 HydrophobicContact CG2-CD1 4.22Å; I446-Y523 HydrophobicContact CB-CE2 4.1Å; I446-Y523 HydrophobicContact CG2-CD2 3.78Å; I446-Y523 HydrophobicContact CG2-CE2 3.88Å; I446-L526 HydrophobicContact CD1-CD2 3.79Å
447	A	98.6	Very high	97.8	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-61.7	-40.7	-180	0	0	0	0	0	112.2	A443 A444 E445 G449 L450 F451 W520 Y523 W601	A443-A447 WeakPolarHBondContact O-CB 3.38Å; A443-A447 PolarHBondContact O-N 3.41Å; A444-A447 PolarHBondContact O-N 3.48Å; E445-A447 VanDerWaalsContact C-N 3.32Å; E445-A447 PolarHBondContact O-N 3.09Å; A447-G449 VanDerWaalsContact C-N 3.31Å; A447-G449 PolarHBondContact O-N 3.25Å; A447-L450 PolarHBondContact O-N 2.73Å; A447-L450 VanDerWaalsContact O-N 3.15Å; A447-F451 HydrophobicContact CB-CE2 3.94Å; A447-F451 HydrophobicContact CB-CZ 4.07Å; A447-F451 WeakPolarHBondContact O-CD2 3.47Å; A447-F451 WeakPolarHBondContact O-CG 3.16Å; A447-F451 PolarHBondContact O-N 3.48Å; A447-W520 HydrophobicContact CB-CH2 4.49Å; A447-W520 HydrophobicContact CB-CZ3 4.48Å; A447-Y523 HydrophobicContact CB-CE2 4.29Å; A447-W601 HydrophobicContact CB-CH2 4.35Å; A447-W601 HydrophobicContact CB-CZ3 4.36Å
448	V	98.6	Very high	97.8	Very high	8 Å²	8	17 Å²	17	5%	0.048	9%	0.085	C	C	.	.	H	α-helix	trans	-57	-45.5	173.5	170.1	0	0	0	0	111.1	P396 F398 A444 E445 I446 L450 F451 F452 W601 L604 E605	P396-V448 HydrophobicContact CB-CG1 3.79Å; P396-V448 HydrophobicContact CG-CG1 4.25Å; F398-V448 HydrophobicContact CD2-CB 3.83Å; F398-V448 HydrophobicContact CD2-CG1 3.71Å; F398-V448 HydrophobicContact CE2-CB 4.07Å; F398-V448 HydrophobicContact CE2-CG1 3.94Å; F398-V448 HydrophobicContact CE2-CG2 4.33Å; A444-V448 WeakPolarHBondContact O-CG2 3.42Å; A444-V448 PolarHBondContact O-N 3.27Å; A444-V448 VanDerWaalsContact O-N 3.09Å; E445-V448 PolarHBondContact O-N 3.47Å; I446-V448 VanDerWaalsContact C-N 3.34Å; I446-V448 PolarHBondContact O-N 3.34Å; V448-L450 VanDerWaalsContact C-N 3.34Å; V448-L450 PolarHBondContact O-N 3.12Å; V448-F451 PolarHBondContact O-N 2.85Å; V448-F452 PolarHBondContact O-N 2.93Å; V448-F452 VanDerWaalsContact O-N 3.1Å; V448-W601 HydrophobicContact CG2-CE3 4.06Å; V448-W601 HydrophobicContact CG2-CZ3 4.1Å; V448-L604 HydrophobicContact CG2-CD2 4.46Å; V448-E605 HydrophobicContact CB-CG 4.45Å; V448-E605 HydrophobicContact CG1-CG 3.81Å; V448-E605 HydrophobicContact CG2-CG 3.72Å
449	G	98.1	Very high	97.8	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-59	-43.5	175.4	0	0	0	0	0	112.7	E445 I446 A447 L453	E445-G449 PolarHBondContact O-N 3.31Å; I446-G449 PolarHBondContact O-N 2.93Å; I446-G449 VanDerWaalsContact O-N 3.16Å; A447-G449 VanDerWaalsContact C-N 3.31Å; A447-G449 PolarHBondContact O-N 3.25Å; G449-L453 WeakPolarHBondContact O-CG 3.19Å; G449-L453 PolarHBondContact O-N 2.93Å; G449-L453 VanDerWaalsContact O-N 3.13Å
450	L	98.4	Very high	97.8	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-68.1	-40.1	177.3	-66	178.1	0	0	0	112.9	I446 A447 V448 F452 L453 H454 L463 D519 W520 Y523	I446-L450 HydrophobicContact CG2-CD1 4.34Å; I446-L450 PolarHBondContact O-N 2.94Å; A447-L450 PolarHBondContact O-N 2.73Å; A447-L450 VanDerWaalsContact O-N 3.15Å; V448-L450 VanDerWaalsContact C-N 3.34Å; V448-L450 PolarHBondContact O-N 3.12Å; L450-F452 VanDerWaalsContact C-N 3.31Å; L450-F452 PolarHBondContact O-N 3.39Å; L450-L453 PolarHBondContact O-N 3.3Å; L450-H454 WeakPolarHBondContact O-CB 3.4Å; L450-H454 PolarHBondContact O-CD2 2.71Å; L450-H454 VanDerWaalsContact O-CG 3.28Å; L450-H454 PolarHBondContact O-N 3.5Å; L450-L463 HydrophobicContact CD1-CD2 4.02Å; L450-D519 HydrophobicContact CD2-CB 4.35Å; L450-W520 HydrophobicContact CB-CH2 3.95Å; L450-W520 HydrophobicContact CB-CZ2 4.46Å; L450-W520 HydrophobicContact CB-CZ3 4.39Å; L450-W520 HydrophobicContact CD1-CE3 4.22Å; L450-W520 HydrophobicContact CD1-CH2 4.18Å; L450-W520 HydrophobicContact CD1-CZ3 3.78Å; L450-Y523 HydrophobicContact CD1-CD2 4.06Å; L450-Y523 HydrophobicContact CD1-CG 4.23Å
451	F	97.6	Very high	97.7	Very high	11 Å²	11	16 Å²	16	5%	0.048	8%	0.078	C	C	.	.	H	α-helix	trans	-58.2	-46.4	175.9	-63.6	-38.3	0	0	0	110.8	A447 V448 H454 L455 W520 E587 I590 R591 W601	A447-F451 HydrophobicContact CB-CE2 3.94Å; A447-F451 HydrophobicContact CB-CZ 4.07Å; A447-F451 WeakPolarHBondContact O-CD2 3.47Å; A447-F451 WeakPolarHBondContact O-CG 3.16Å; A447-F451 PolarHBondContact O-N 3.48Å; V448-F451 PolarHBondContact O-N 2.85Å; F451-H454 PolarHBondContact O-N 3.03Å; F451-L455 VanDerWaalsContact O-CB 3.26Å; F451-L455 WeakPolarHBondContact O-CB 3.41Å; F451-L455 PolarHBondContact O-N 2.8Å; F451-W520 AromaticContact CD1-CH2 3.66Å; F451-W520 HydrophobicContact CD1-CH2 3.66Å; F451-W520 AromaticContact CD1-CZ2 3.64Å; F451-W520 HydrophobicContact CD1-CZ2 3.64Å; F451-W520 AromaticContact CE1-CH2 3.26Å; F451-W520 HydrophobicContact CE1-CH2 3.26Å; F451-W520 AromaticContact CE1-CZ2 3.42Å; F451-W520 HydrophobicContact CE1-CZ2 3.42Å; F451-W520 VanDerWaalsContact CE1-CZ2 3.42Å; F451-W520 HydrophobicContact CE1-CZ3 4.42Å; F451-W520 AromaticContact CZ-CH2 4Å; F451-W520 HydrophobicContact CZ-CH2 4Å; F451-E587 HydrophobicContact CD1-CB 3.97Å; F451-E587 HydrophobicContact CD1-CG 3.7Å; F451-E587 HydrophobicContact CD2-CG 4.03Å; F451-E587 HydrophobicContact CE1-CB 3.88Å; F451-E587 HydrophobicContact CE1-CG 3.7Å; F451-E587 HydrophobicContact CE2-CG 4.04Å; F451-E587 HydrophobicContact CG-CG 3.9Å; F451-E587 HydrophobicContact CZ-CB 4.45Å; F451-E587 HydrophobicContact CZ-CG 3.88Å; F451-I590 HydrophobicContact CE1-CB 4.38Å; F451-I590 HydrophobicContact CE1-CD1 4.15Å; F451-I590 HydrophobicContact CE1-CG2 4.48Å; F451-I590 HydrophobicContact CZ-CB 3.98Å; F451-I590 HydrophobicContact CZ-CD1 4.48Å; F451-I590 HydrophobicContact CZ-CG2 3.79Å; F451-R591 HydrophobicContact CE2-CG 3.92Å; F451-R591 HydrophobicContact CZ-CG 4.16Å; F451-W601 HydrophobicContact CE2-CZ3 4.25Å
452	F	97.5	Very high	97.4	Very high	26 Å²	26	16.1 Å²	16.1	11%	0.114	8%	0.079	C	C	.	.	H	α-helix	trans	-58.6	-51.1	175.6	175	-92.1	0	0	0	111.9	Q392 D394 K395 P396 L399 V448 L450 H454 L455 Q456	Q392-F452 HydrophobicContact CB-CZ 4.44Å; D394-F452 WeakPolarHBondContact O-CE2 3.4Å; K395-F452 HydrophobicContact CB-CE1 4.43Å; K395-F452 HydrophobicContact CB-CZ 4.38Å; K395-F452 HydrophobicContact CG-CE1 3.79Å; K395-F452 HydrophobicContact CG-CZ 3.83Å; P396-F452 HydrophobicContact CG-CB 3.82Å; P396-F452 HydrophobicContact CG-CG 4.06Å; L399-F452 HydrophobicContact CD1-CD1 3.63Å; L399-F452 HydrophobicContact CD1-CE1 4.1Å; V448-F452 PolarHBondContact O-N 2.93Å; V448-F452 VanDerWaalsContact O-N 3.1Å; L450-F452 VanDerWaalsContact C-N 3.31Å; L450-F452 PolarHBondContact O-N 3.39Å; F452-H454 VanDerWaalsContact C-N 3.35Å; F452-H454 PolarHBondContact O-N 3.45Å; F452-L455 WeakPolarHBondContact O-CB 3.44Å; F452-L455 PolarHBondContact O-N 3.43Å; F452-Q456 HydrophobicContact CD1-CG 4.37Å; F452-Q456 HydrophobicContact CE1-CG 3.95Å; F452-Q456 HydrophobicContact CE2-CG 4.15Å; F452-Q456 HydrophobicContact CZ-CG 3.83Å; F452-Q456 WeakPolarHBondContact O-CG 3.41Å; F452-Q456 PolarHBondContact O-N 3.32Å
453	L	97.4	Very high	97.4	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.005	8%	0.079	C	C	.	.	H	α-helix	trans	-59.2	-46.4	-179.6	-69.6	173.7	0	0	0	111.4	V389 L399 G449 L450 L455 Q456 G457 V458 Y460 F481	V389-L453 HydrophobicContact CG1-CD2 3.98Å; L399-L453 HydrophobicContact CD1-CD2 4.16Å; L399-L453 HydrophobicContact CD1-CG 4.26Å; G449-L453 WeakPolarHBondContact O-CG 3.19Å; G449-L453 PolarHBondContact O-N 2.93Å; G449-L453 VanDerWaalsContact O-N 3.13Å; L450-L453 PolarHBondContact O-N 3.3Å; L453-L455 VanDerWaalsContact C-N 3.33Å; L453-L455 PolarHBondContact O-N 2.86Å; L453-Q456 CarbonylContact O-C 3.41Å; L453-Q456 PolarHBondContact O-N 2.99Å; L453-Q456 VanDerWaalsContact O-N 3.16Å; L453-G457 PolarHBondContact O-N 3.41Å; L453-V458 CarbonylContact C-O 3.51Å; L453-V458 HydrophobicContact CB-CB 4.31Å; L453-V458 HydrophobicContact CD2-CB 4.35Å; L453-V458 HydrophobicContact CD2-CG1 4.26Å; L453-V458 WeakPolarHBondContact O-CA 3.36Å; L453-V458 WeakPolarHBondContact O-CB 3.23Å; L453-V458 PolarHBondContact O-N 2.75Å; L453-V458 VanDerWaalsContact O-O 3.04Å; L453-Y460 HydrophobicContact CD1-CD2 4.07Å; L453-Y460 HydrophobicContact CD1-CG 4.3Å; L453-F481 HydrophobicContact CD1-CE1 4.23Å; L453-F481 HydrophobicContact CD2-CE1 4.3Å
454	H	96.6	Very high	97.1	Very high	20 Å²	20	17.7 Å²	17.7	9%	0.093	9%	0.086	C	C	.	.	H	α-helix	trans	-65	-37.4	179.7	-68.4	-179.6	0	0	0	112	L450 F451 F452 Q456 G457 V458 D519 W520	L450-H454 WeakPolarHBondContact O-CB 3.4Å; L450-H454 PolarHBondContact O-CD2 2.71Å; L450-H454 VanDerWaalsContact O-CG 3.28Å; L450-H454 PolarHBondContact O-N 3.5Å; F451-H454 PolarHBondContact O-N 3.03Å; F452-H454 VanDerWaalsContact C-N 3.35Å; F452-H454 PolarHBondContact O-N 3.45Å; H454-Q456 VanDerWaalsContact C-N 3.3Å; H454-Q456 PolarHBondContact O-N 2.87Å; H454-G457 PolarHBondContact O-N 3.36Å; H454-V458 PolarHBondContact CD2-O 2.78Å; H454-V458 PolarHBondContact N-O 2.77Å; H454-D519 IonicContact CD2-OD2 3.54Å; H454-D519 IonicContact CE1-OD2 2.9Å; H454-D519 IonicContact NE2-OD2 2.88Å; H454-D519 PolarHBondContact NE2-OD2 3.07Å; H454-W520 AromaticContact CE1-CE2 3.9Å; H454-W520 AromaticContact CE1-NE1 3.71Å; H454-W520 AromaticContact ND1-CE2 3.98Å; H454-W520 AromaticContact ND1-NE1 3.68Å
455	L	95.2	Very high	96.8	Very high	135 Å²	135	17.7 Å²	17.7	71%	0.707	9%	0.086	S	C	*	.	H	α-helix	trans	-62.9	-37.7	174.5	179.2	63.9	0	0	0	111.7	F451 F452 L453 G457	F451-L455 VanDerWaalsContact O-CB 3.26Å; F451-L455 WeakPolarHBondContact O-CB 3.41Å; F451-L455 PolarHBondContact O-N 2.8Å; F452-L455 WeakPolarHBondContact O-CB 3.44Å; F452-L455 PolarHBondContact O-N 3.43Å; L453-L455 VanDerWaalsContact C-N 3.33Å; L453-L455 PolarHBondContact O-N 2.86Å; L455-G457 PolarHBondContact O-N 2.88Å
456	Q	96.1	Very high	96.3	Very high	95 Å²	95	20.6 Å²	20.6	44%	0.444	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	5.5	173.9	-60.7	-54.4	-43	0	0	113.6	F452 L453 H454 V458	F452-Q456 HydrophobicContact CD1-CG 4.37Å; F452-Q456 HydrophobicContact CE1-CG 3.95Å; F452-Q456 HydrophobicContact CE2-CG 4.15Å; F452-Q456 HydrophobicContact CZ-CG 3.83Å; F452-Q456 WeakPolarHBondContact O-CG 3.41Å; F452-Q456 PolarHBondContact O-N 3.32Å; L453-Q456 CarbonylContact O-C 3.41Å; L453-Q456 PolarHBondContact O-N 2.99Å; L453-Q456 VanDerWaalsContact O-N 3.16Å; H454-Q456 VanDerWaalsContact C-N 3.3Å; H454-Q456 PolarHBondContact O-N 2.87Å; Q456-V458 VanDerWaalsContact C-N 3.32Å; Q456-V458 HydrophobicContact CB-CG2 4.28Å; Q456-V458 PolarHBondContact O-N 2.89Å
457	G	96.3	Very high	96.1	Very high	3 Å²	3	21.3 Å²	21.3	3%	0.031	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	30.8	-178	0	0	0	0	0	113.2	L453 H454 L455 E486 N487 M488	L453-G457 PolarHBondContact O-N 3.41Å; H454-G457 PolarHBondContact O-N 3.36Å; L455-G457 PolarHBondContact O-N 2.88Å; G457-E486 CarbonylContact O-C 3.56Å; G457-N487 PolarHBondContact O-N 3.19Å; G457-N487 VanDerWaalsContact O-N 3.08Å; G457-M488 PolarHBondContact O-N 3.5Å
458	V	97.6	Very high	96	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.006	11%	0.105	C	C	.	.			trans	-113	134.2	177.1	-175.4	0	0	0	0	109.3	V389 L453 H454 Q456 C484 K485 E486	V389-V458 HydrophobicContact CG1-CG1 4.38Å; V389-V458 HydrophobicContact CG2-CG1 3.89Å; V389-V458 HydrophobicContact CG2-CG2 4.24Å; L453-V458 CarbonylContact C-O 3.51Å; L453-V458 HydrophobicContact CB-CB 4.31Å; L453-V458 HydrophobicContact CD2-CB 4.35Å; L453-V458 HydrophobicContact CD2-CG1 4.26Å; L453-V458 WeakPolarHBondContact O-CA 3.36Å; L453-V458 WeakPolarHBondContact O-CB 3.23Å; L453-V458 PolarHBondContact O-N 2.75Å; L453-V458 VanDerWaalsContact O-O 3.04Å; H454-V458 PolarHBondContact CD2-O 2.78Å; H454-V458 PolarHBondContact N-O 2.77Å; Q456-V458 VanDerWaalsContact C-N 3.32Å; Q456-V458 HydrophobicContact CB-CG2 4.28Å; Q456-V458 PolarHBondContact O-N 2.89Å; V458-C484 HydrophobicContact CG1-CB 3.95Å; V458-K485 WeakPolarHBondContact CA-O 3.46Å; V458-E486 HydrophobicContact CG2-CG 4.14Å
459	I	97.5	Very high	95.8	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.005	11%	0.109	C	C	.	.	B	Isolated β-bridge	trans	-109.2	140.3	166.5	62.7	177.5	0	0	0	109.7	R461 C484 K485 M488 T494 Y514 R516 D519	I459-R461 HydrophobicContact CB-CG 4.34Å; I459-R461 HydrophobicContact CD1-CG 3.88Å; I459-R461 HydrophobicContact CG1-CG 3.8Å; I459-C484 CarbonylContact O-C 2.95Å; I459-C484 VanDerWaalsContact O-CA 3.28Å; I459-C484 WeakPolarHBondContact O-CA 3.45Å; I459-K485 HydrophobicContact CD1-CB 4.18Å; I459-K485 HydrophobicContact CG1-CB 3.76Å; I459-K485 PolarHBondContact N-O 3.35Å; I459-K485 PolarHBondContact O-N 3.45Å; I459-M488 HydrophobicContact CD1-CE 3.83Å; I459-M488 HydrophobicContact CD1-CG 3.95Å; I459-M488 HydrophobicContact CD1-SD 4.46Å; I459-M488 HydrophobicContact CG1-CB 4.31Å; I459-M488 HydrophobicContact CG1-CG 3.89Å; I459-M488 HydrophobicContact CG2-CB 3.83Å; I459-M488 HydrophobicContact CG2-CG 4.35Å; I459-T494 HydrophobicContact CD1-CG2 4.05Å; I459-Y514 HydrophobicContact CD1-CD2 4.37Å; I459-Y514 HydrophobicContact CD1-CE2 4.02Å; I459-R516 HydrophobicContact CG2-CB 3.88Å; I459-D519 WeakPolarHBondContact CA-OD2 3.37Å
460	Y	97.6	Very high	95.6	Very high	1 Å²	1	22.2 Å²	22.2	0%	0.004	11%	0.109	C	C	.	.			trans	-87.1	-44.4	-167.3	-178.7	-110.4	0	0	0	113.1	L453 D462 L463 N467 I478 A479 D480 F481 M483 D519	L453-Y460 HydrophobicContact CD1-CD2 4.07Å; L453-Y460 HydrophobicContact CD1-CG 4.3Å; Y460-D462 WeakPolarHBondContact CE1-O 3.23Å; Y460-D462 PolarHBondContact O-N 3.43Å; Y460-L463 HydrophobicContact CD1-CB 3.89Å; Y460-L463 HydrophobicContact CD1-CD1 4.43Å; Y460-L463 HydrophobicContact CE1-CB 4.01Å; Y460-L463 HydrophobicContact CE1-CD1 4.17Å; Y460-N467 WeakPolarHBondContact OH-CB 3.35Å; Y460-N467 PolarHBondContact OH-ND2 3.46Å; Y460-I478 HydrophobicContact CE1-CG2 4.13Å; Y460-I478 HydrophobicContact CE2-CG2 3.86Å; Y460-A479 PolarHBondContact OH-O 2.74Å; Y460-D480 WeakPolarHBondContact CE2-O 3.15Å; Y460-D480 PolarHBondContact OH-O 3.1Å; Y460-F481 AromaticContact CD2-CD1 3.94Å; Y460-F481 HydrophobicContact CD2-CD1 3.94Å; Y460-F481 HydrophobicContact CD2-CE1 4.19Å; Y460-F481 AromaticContact CE2-CD1 3.84Å; Y460-F481 HydrophobicContact CE2-CD1 3.84Å; Y460-F481 HydrophobicContact CE2-CE1 4.04Å; Y460-F481 HydrophobicContact CE2-CG 4.33Å; Y460-M483 CarbonylContact O-C 3.22Å; Y460-D519 PolarHBondContact N-OD1 3.24Å; Y460-D519 PolarHBondContact N-OD2 3.38Å
461	R	95.6	Very high	95.1	Very high	25 Å²	25	23 Å²	23	9%	0.094	11%	0.114	C	C	.	.			trans	63.8	-3.4	170.9	-53	-172.9	-66.1	168.5	1.8	118.4	I459 M483 C484 C498 Y514 V518 D519	I459-R461 HydrophobicContact CB-CG 4.34Å; I459-R461 HydrophobicContact CD1-CG 3.88Å; I459-R461 HydrophobicContact CG1-CG 3.8Å; R461-M483 PolarHBondContact NE-O 2.91Å; R461-M483 PolarHBondContact NH2-O 3.37Å; R461-C484 PolarHBondContact NH2-O 2.93Å; R461-C498 PolarHBondContact NH1-SG 3.17Å; R461-C498 VanDerWaalsContact NH1-SG 3.43Å; R461-Y514 PolarHBondContact NH1-OH 2.79Å; R461-V518 HydrophobicContact CG-CG2 4.17Å; R461-D519 WeakPolarHBondContact CA-OD1 3.32Å; R461-D519 PolarHBondContact N-OD1 3.3Å
462	D	94.3	Very high	94.5	Very high	12 Å²	12	24 Å²	24	6%	0.064	12%	0.122	C	C	.	.			trans	-132.6	42.6	175.1	-160.7	39.3	0	0	0	112.8	Y460 K464 N467 M483 T500	Y460-D462 WeakPolarHBondContact CE1-O 3.23Å; Y460-D462 PolarHBondContact O-N 3.43Å; D462-K464 PolarHBondContact O-N 2.96Å; D462-K464 IonicContact OD1-NZ 3.74Å; D462-K464 PolarHBondContact OD1-NZ 3.48Å; D462-K464 VanDerWaalsContact OD2-CE 3.29Å; D462-K464 WeakPolarHBondContact OD2-CE 3.39Å; D462-K464 IonicContact OD2-NZ 3.43Å; D462-K464 PolarHBondContact OD2-NZ 3.42Å; D462-N467 PolarHBondContact O-ND2 3.31Å; D462-N467 PolarHBondContact OD2-ND2 2.93Å; D462-M483 HydrophobicContact CB-CB 3.82Å; D462-M483 HydrophobicContact CB-CG 3.91Å; D462-T500 PolarHBondContact OD1-N 2.93Å; D462-T500 PolarHBondContact OD1-OG1 3.19Å
463	L	97.2	Very high	94	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	13%	0.131	C	C	.	.			trans	-73.7	117.3	174.8	-170.3	68.2	0	0	0	110.7	I446 L450 Y460 V468 Y503 A522 Y523 L526	I446-L463 HydrophobicContact CG2-CD1 4.02Å; I446-L463 HydrophobicContact CG2-CD2 4.18Å; L450-L463 HydrophobicContact CD1-CD2 4.02Å; Y460-L463 HydrophobicContact CD1-CB 3.89Å; Y460-L463 HydrophobicContact CD1-CD1 4.43Å; Y460-L463 HydrophobicContact CE1-CB 4.01Å; Y460-L463 HydrophobicContact CE1-CD1 4.17Å; L463-V468 HydrophobicContact CD1-CG2 3.91Å; L463-Y503 WeakPolarHBondContact O-CD1 3.33Å; L463-A522 HydrophobicContact CB-CB 3.98Å; L463-Y523 HydrophobicContact CD2-CD2 4.18Å; L463-L526 HydrophobicContact CD1-CD1 3.97Å; L463-L526 HydrophobicContact CD2-CD1 4.29Å; L463-L526 HydrophobicContact CG-CD1 3.73Å
464	K	93.6	Very high	93.8	Very high	31 Å²	31	25.8 Å²	25.8	14%	0.135	13%	0.13	C	C	.	.			trans	-155.4	165.3	178.2	60.5	-176.7	161.3	-149.5	0	110.4	D462 D466 N467 V468 T500 Y503	D462-K464 PolarHBondContact O-N 2.96Å; D462-K464 IonicContact OD1-NZ 3.74Å; D462-K464 PolarHBondContact OD1-NZ 3.48Å; D462-K464 VanDerWaalsContact OD2-CE 3.29Å; D462-K464 WeakPolarHBondContact OD2-CE 3.39Å; D462-K464 IonicContact OD2-NZ 3.43Å; D462-K464 PolarHBondContact OD2-NZ 3.42Å; K464-D466 VanDerWaalsContact C-N 3.26Å; K464-D466 HydrophobicContact CD-CB 4.2Å; K464-D466 HydrophobicContact CG-CB 4.23Å; K464-D466 PolarHBondContact O-N 3.18Å; K464-N467 VanDerWaalsContact CE-ND2 3.26Å; K464-N467 WeakPolarHBondContact CE-ND2 3.36Å; K464-N467 VanDerWaalsContact CE-OD1 3.22Å; K464-N467 WeakPolarHBondContact CE-OD1 3.5Å; K464-N467 HydrophobicContact CG-CB 4.07Å; K464-N467 PolarHBondContact O-N 3.17Å; K464-V468 WeakPolarHBondContact O-CG2 3.31Å; K464-T500 HydrophobicContact CD-CG2 4.3Å; K464-T500 WeakPolarHBondContact CD-OG1 3.44Å; K464-T500 PolarHBondContact NZ-OG1 3.45Å; K464-Y503 HydrophobicContact CB-CD1 4.39Å; K464-Y503 HydrophobicContact CB-CD2 3.85Å; K464-Y503 HydrophobicContact CB-CE1 4.14Å; K464-Y503 HydrophobicContact CB-CE2 3.56Å; K464-Y503 HydrophobicContact CB-CG 4.25Å
465	L	90.8	Very high	93.8	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-58.1	-35.2	-179.7	-70.5	173.2	0	0	0	113.5	L424 M425 I428 N467 V468 Y503 L526 E529 M530	L424-L465 HydrophobicContact CB-CB 4.45Å; L424-L465 HydrophobicContact CB-CD2 3.79Å; L424-L465 HydrophobicContact CD1-CD2 4.31Å; L424-L465 PolarHBondContact N-O 3.03Å; M425-L465 HydrophobicContact CB-CB 3.88Å; M425-L465 HydrophobicContact CE-CB 4.02Å; M425-L465 HydrophobicContact CE-CD1 4.22Å; M425-L465 HydrophobicContact SD-CD1 4.25Å; I428-L465 HydrophobicContact CD1-CD1 4.42Å; I428-L465 HydrophobicContact CG2-CD1 4.03Å; L465-N467 VanDerWaalsContact C-N 3.31Å; L465-N467 PolarHBondContact O-N 3.5Å; L465-V468 PolarHBondContact O-N 3.24Å; L465-Y503 WeakPolarHBondContact CG-OH 3.29Å; L465-Y503 PolarHBondContact N-OH 3.07Å; L465-L526 HydrophobicContact CD2-CD2 4.21Å; L465-L526 HydrophobicContact CD2-CG 4.06Å; L465-L526 HydrophobicContact CG-CG 4.49Å; L465-E529 HydrophobicContact CD1-CB 4.22Å; L465-E529 WeakPolarHBondContact CD1-OE2 2.94Å; L465-M530 HydrophobicContact CD2-CG 4.13Å
466	D	88.7	Confident	93.9	Very high	61 Å²	61	18.9 Å²	18.9	33%	0.326	9%	0.094	S	C	.	.	G	3₁₀ helix	trans	-67.4	-28.7	-179.4	-49.4	-103.4	0	0	0	113.4	M425 K464 V468	M425-D466 WeakPolarHBondContact CE-OD2 3.48Å; K464-D466 VanDerWaalsContact C-N 3.26Å; K464-D466 HydrophobicContact CD-CB 4.2Å; K464-D466 HydrophobicContact CG-CB 4.23Å; K464-D466 PolarHBondContact O-N 3.18Å; D466-V468 VanDerWaalsContact C-N 3.35Å
467	N	94.4	Very high	93.9	Very high	15 Å²	15	14.6 Å²	14.6	8%	0.08	8%	0.075	C	C	.	.	G	3₁₀ helix	trans	-91.6	0.7	-178.3	-73.9	0.3	0	0	0	112.9	Y460 D462 K464 L465 A479	Y460-N467 WeakPolarHBondContact OH-CB 3.35Å; Y460-N467 PolarHBondContact OH-ND2 3.46Å; D462-N467 PolarHBondContact O-ND2 3.31Å; D462-N467 PolarHBondContact OD2-ND2 2.93Å; K464-N467 VanDerWaalsContact CE-ND2 3.26Å; K464-N467 WeakPolarHBondContact CE-ND2 3.36Å; K464-N467 VanDerWaalsContact CE-OD1 3.22Å; K464-N467 WeakPolarHBondContact CE-OD1 3.5Å; K464-N467 HydrophobicContact CG-CB 4.07Å; K464-N467 PolarHBondContact O-N 3.17Å; L465-N467 VanDerWaalsContact C-N 3.31Å; L465-N467 PolarHBondContact O-N 3.5Å; N467-A479 PolarHBondContact O-N 2.86Å
468	V	96.8	Very high	94	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	110.6	179.9	-175.8	0	0	0	0	108.5	D423 L424 I446 L463 K464 L465 D466 I476 L526	D423-V468 CarbonylContact C-O 3.56Å; D423-V468 WeakPolarHBondContact CA-O 3.4Å; L424-V468 HydrophobicContact CD1-CB 3.96Å; L424-V468 HydrophobicContact CD1-CG1 3.53Å; L424-V468 HydrophobicContact CG-CB 4.18Å; L424-V468 HydrophobicContact CG-CG1 3.91Å; L424-V468 WeakPolarHBondContact CG-O 3.32Å; L424-V468 PolarHBondContact N-O 3.35Å; I446-V468 HydrophobicContact CD1-CG1 3.97Å; I446-V468 HydrophobicContact CD1-CG2 4.45Å; I446-V468 HydrophobicContact CG1-CG1 3.98Å; L463-V468 HydrophobicContact CD1-CG2 3.91Å; K464-V468 WeakPolarHBondContact O-CG2 3.31Å; L465-V468 PolarHBondContact O-N 3.24Å; D466-V468 VanDerWaalsContact C-N 3.35Å; V468-I476 HydrophobicContact CG1-CD1 3.49Å; V468-I476 VanDerWaalsContact CG1-CD1 3.49Å; V468-I476 HydrophobicContact CG1-CG1 4.47Å; V468-I476 HydrophobicContact CG1-CG2 3.62Å; V468-L526 HydrophobicContact CG2-CD1 4.03Å
469	M	94.6	Very high	93.8	Very high	27 Å²	27	15.2 Å²	15.2	13%	0.133	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	160.1	-174.2	-54.8	-177	76.9	0	0	112.3	V419 D423 I476 K477 A479 F625	V419-M469 HydrophobicContact CB-CB 4.43Å; V419-M469 HydrophobicContact CB-CE 4.22Å; V419-M469 HydrophobicContact CB-SD 4.23Å; V419-M469 HydrophobicContact CG1-CB 3.66Å; V419-M469 HydrophobicContact CG1-CE 4.39Å; V419-M469 HydrophobicContact CG1-SD 4.43Å; V419-M469 WeakPolarHBondContact O-CE 3.24Å; D423-M469 HydrophobicContact CB-CG 4.31Å; M469-I476 CarbonylContact O-C 3.46Å; M469-I476 WeakPolarHBondContact O-CA 3.3Å; M469-K477 HydrophobicContact CB-CB 4.37Å; M469-K477 PolarHBondContact N-O 2.9Å; M469-K477 PolarHBondContact O-N 3.46Å; M469-A479 HydrophobicContact SD-CB 4.17Å; M469-F625 HydrophobicContact CE-CE1 3.86Å; M469-F625 HydrophobicContact CE-CZ 3.83Å
470	L	93.3	Very high	93.5	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	137.2	167.4	-61.6	-175.9	0	0	0	110.4	V419 G421 G422 L424 Y442 H475 I476 F613 P615	V419-L470 WeakPolarHBondContact CG1-O 3.27Å; G421-L470 CarbonylContact C-O 3.56Å; G421-L470 WeakPolarHBondContact CA-O 3.28Å; G421-L470 PolarHBondContact N-O 3.48Å; G422-L470 PolarHBondContact O-N 3.28Å; L424-L470 HydrophobicContact CD2-CD1 4.34Å; L424-L470 HydrophobicContact CD2-CD2 3.88Å; L424-L470 HydrophobicContact CD2-CG 4.03Å; Y442-L470 HydrophobicContact CD1-CD2 4.31Å; Y442-L470 HydrophobicContact CE1-CD2 3.79Å; L470-H475 CarbonylContact C-O 3.58Å; L470-H475 WeakPolarHBondContact CA-O 3.39Å; L470-I476 HydrophobicContact CD2-CD1 3.78Å; L470-I476 HydrophobicContact CD2-CG1 4.47Å; L470-F613 HydrophobicContact CD1-CD1 3.83Å; L470-F613 HydrophobicContact CD1-CE1 4.08Å; L470-P615 HydrophobicContact CB-CG 3.96Å; L470-P615 HydrophobicContact CD1-CG 4.11Å
471	D	88.9	Confident	93.3	Very high	18 Å²	18	18.3 Å²	18.3	10%	0.096	10%	0.096	C	C	.	.			trans	-78.3	-177.9	166.6	75.8	8.4	0	0	0	112.3	V419 E473 G474 H475 K477 R607 P615	V419-D471 HydrophobicContact CG1-CB 4.49Å; D471-E473 PolarHBondContact O-N 3.43Å; D471-E473 WeakPolarHBondContact OD1-CA 3.3Å; D471-E473 PolarHBondContact OD1-N 2.93Å; D471-G474 PolarHBondContact O-N 3.03Å; D471-G474 VanDerWaalsContact O-N 3.14Å; D471-G474 PolarHBondContact OD1-N 3.32Å; D471-H475 PolarHBondContact N-O 2.71Å; D471-H475 PolarHBondContact OD1-N 2.99Å; D471-K477 HydrophobicContact CB-CG 4.31Å; D471-R607 IonicContact OD1-NH2 2.77Å; D471-R607 IonicContact OD2-CZ 2.8Å; D471-R607 IonicContact OD2-NH1 3.24Å; D471-R607 IonicContact OD2-NH2 2.75Å; D471-R607 PolarHBondContact OD2-NH2 3.3Å; D471-P615 WeakPolarHBondContact O-CG 3.34Å
472	S	85.7	Confident	92.9	Very high	30 Å²	30	17.9 Å²	17.9	21%	0.21	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-22.4	-178.4	59.8	0	0	0	0	114.2	N420 K614	N420-S472 PolarHBondContact OD1-N 3.08Å; S472-K614 WeakPolarHBondContact O-CE 3.34Å
473	E	86.9	Confident	92.7	Very high	65 Å²	65	20.9 Å²	20.9	30%	0.304	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-18.1	177.8	-65.9	-54.1	114.5	0	0	111.9	D471 P611 K614	D471-E473 PolarHBondContact O-N 3.43Å; D471-E473 WeakPolarHBondContact OD1-CA 3.3Å; D471-E473 PolarHBondContact OD1-N 2.93Å; E473-P611 WeakPolarHBondContact O-CG 3.19Å; E473-K614 WeakPolarHBondContact OE1-CE 3.34Å; E473-K614 IonicContact OE1-NZ 2.71Å; E473-K614 PolarHBondContact OE1-NZ 3.11Å; E473-K614 IonicContact OE2-NZ 2.76Å; E473-K614 PolarHBondContact OE2-NZ 2.9Å
474	G	91.8	Very high	92.5	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.115	C	C	.	.	S	Bend	trans	100.6	15.3	179.6	0	0	0	0	0	114.3	D471 F613	D471-G474 PolarHBondContact O-N 3.03Å; D471-G474 VanDerWaalsContact O-N 3.14Å; D471-G474 PolarHBondContact OD1-N 3.32Å; G474-F613 WeakPolarHBondContact CA-O 3.25Å
475	H	96.1	Very high	92.5	Very high	10 Å²	10	23.5 Å²	23.5	5%	0.046	13%	0.126	C	C	.	.			trans	-84.7	153.5	172	-69.5	-88.6	0	0	0	111.3	F441 E445 L470 D471 R607 I609 P611	F441-H475 AromaticContact CZ-ND1 3.87Å; E445-H475 IonicContact OE1-CE1 3.01Å; E445-H475 IonicContact OE1-CG 2.78Å; E445-H475 IonicContact OE1-ND1 2.9Å; E445-H475 PolarHBondContact OE1-ND1 2.88Å; L470-H475 CarbonylContact C-O 3.58Å; L470-H475 WeakPolarHBondContact CA-O 3.39Å; D471-H475 PolarHBondContact N-O 2.71Å; D471-H475 PolarHBondContact OD1-N 2.99Å; H475-R607 PolarHBondContact CD2-NH2 2.81Å; H475-I609 PolarHBondContact CE1-O 3.24Å; H475-P611 WeakPolarHBondContact CD2-CG 3.25Å; H475-P611 WeakPolarHBondContact NE2-CD 3.2Å; H475-P611 WeakPolarHBondContact NE2-CG 3.34Å
476	I	98	Very high	92.7	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	143.6	-179.8	-67.3	-72.1	0	0	0	111.9	F398 L424 Y442 E445 I446 V468 M469 L470 I478	F398-I476 VanDerWaalsContact CA-O 3.29Å; F398-I476 WeakPolarHBondContact CA-O 3.33Å; L424-I476 HydrophobicContact CD1-CD1 3.87Å; L424-I476 HydrophobicContact CD2-CD1 4.09Å; L424-I476 HydrophobicContact CG-CD1 4.18Å; Y442-I476 HydrophobicContact CD1-CD1 3.77Å; Y442-I476 HydrophobicContact CD1-CG1 3.81Å; Y442-I476 HydrophobicContact CG-CD1 3.89Å; Y442-I476 HydrophobicContact CG-CG1 4.25Å; E445-I476 HydrophobicContact CB-CB 3.84Å; E445-I476 HydrophobicContact CB-CG1 3.93Å; E445-I476 WeakPolarHBondContact OE2-CB 3.05Å; E445-I476 WeakPolarHBondContact OE2-CG1 3.35Å; E445-I476 PolarHBondContact OE2-N 2.95Å; I446-I476 HydrophobicContact CG1-CD1 4.48Å; I446-I476 HydrophobicContact CG1-CG1 4.44Å; I446-I476 HydrophobicContact CG1-CG2 3.89Å; V468-I476 HydrophobicContact CG1-CD1 3.49Å; V468-I476 VanDerWaalsContact CG1-CD1 3.49Å; V468-I476 HydrophobicContact CG1-CG1 4.47Å; V468-I476 HydrophobicContact CG1-CG2 3.62Å; M469-I476 CarbonylContact O-C 3.46Å; M469-I476 WeakPolarHBondContact O-CA 3.3Å; L470-I476 HydrophobicContact CD2-CD1 3.78Å; L470-I476 HydrophobicContact CD2-CG1 4.47Å; I476-I478 HydrophobicContact CG2-CG1 4.24Å
477	K	97.2	Very high	93	Very high	6 Å²	6	28.5 Å²	28.5	3%	0.026	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	111	166.9	-68.2	-68.7	-171.6	163.3	0	109.4	P397 F398 E417 V419 M469 D471	P397-K477 WeakPolarHBondContact O-CD 3.4Å; P397-K477 WeakPolarHBondContact O-CE 3.49Å; P397-K477 PolarHBondContact O-NZ 2.8Å; F398-K477 CarbonylContact O-C 3.53Å; F398-K477 WeakPolarHBondContact O-CA 2.87Å; E417-K477 WeakPolarHBondContact OE1-CE 3.46Å; E417-K477 IonicContact OE1-NZ 3.69Å; E417-K477 PolarHBondContact OE1-NZ 2.7Å; E417-K477 IonicContact OE2-NZ 3.69Å; E417-K477 PolarHBondContact OE2-NZ 3.18Å; V419-K477 HydrophobicContact CG1-CB 4.05Å; V419-K477 HydrophobicContact CG1-CG 4.02Å; V419-K477 HydrophobicContact CG2-CB 4.07Å; V419-K477 HydrophobicContact CG2-CG 3.96Å; M469-K477 HydrophobicContact CB-CB 4.37Å; M469-K477 PolarHBondContact N-O 2.9Å; M469-K477 PolarHBondContact O-N 3.46Å; D471-K477 HydrophobicContact CB-CG 4.31Å
478	I	98	Very high	93	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	125.6	171.8	-54.7	177.6	0	0	0	108.2	F398 L399 T400 I446 Y460 I476 F481	F398-I478 PolarHBondContact O-N 3.22Å; L399-I478 HydrophobicContact CD2-CB 3.84Å; L399-I478 HydrophobicContact CD2-CD1 3.89Å; L399-I478 HydrophobicContact CD2-CG1 4.22Å; L399-I478 HydrophobicContact CD2-CG2 4.48Å; T400-I478 WeakPolarHBondContact CB-O 3.03Å; T400-I478 PolarHBondContact N-O 3.23Å; T400-I478 PolarHBondContact OG1-O 3.39Å; I446-I478 HydrophobicContact CG2-CD1 4.22Å; Y460-I478 HydrophobicContact CE1-CG2 4.13Å; Y460-I478 HydrophobicContact CE2-CG2 3.86Å; I476-I478 HydrophobicContact CG2-CG1 4.24Å; I478-F481 HydrophobicContact CG2-CZ 4.47Å
479	A	93.9	Very high	92.7	Very high	17 Å²	17	32.8 Å²	32.8	14%	0.14	18%	0.177	C	C	.	.			trans	-115.9	178	-178.1	0	0	0	0	0	111.5	T400 Y460 N467 M469	T400-A479 WeakPolarHBondContact OG1-CA 3.5Å; Y460-A479 PolarHBondContact OH-O 2.74Å; N467-A479 PolarHBondContact O-N 2.86Å; M469-A479 HydrophobicContact SD-CB 4.17Å
480	D	90.4	Very high	92.3	Very high	63 Å²	63	38.6 Å²	38.6	34%	0.337	20%	0.204	S	C	.	.			trans	52	91.6	176.1	-157	4	0	0	0	115.8	K367 Y460 G482	K367-D480 IonicContact NZ-OD1 3.67Å; K367-D480 PolarHBondContact NZ-OD1 2.81Å; Y460-D480 WeakPolarHBondContact CE2-O 3.15Å; Y460-D480 PolarHBondContact OH-O 3.1Å; D480-G482 PolarHBondContact OD1-N 3.18Å
481	F	92.8	Very high	92	Very high	3 Å²	3	41.2 Å²	41.2	1%	0.013	23%	0.23	C	C	.	.			trans	-100.1	13.5	-178.2	-62.1	-97	0	0	0	112.4	E386 V389 L390 L399 L453 Y460 I478 M483 C484	E386-F481 HydrophobicContact CG-CB 4.16Å; V389-F481 HydrophobicContact CG1-CB 4.24Å; V389-F481 HydrophobicContact CG1-CD1 3.58Å; V389-F481 HydrophobicContact CG1-CE1 4.25Å; V389-F481 HydrophobicContact CG1-CG 4.1Å; L390-F481 HydrophobicContact CD2-CD2 3.41Å; L390-F481 VanDerWaalsContact CD2-CD2 3.41Å; L390-F481 HydrophobicContact CD2-CE2 3.6Å; L390-F481 HydrophobicContact CD2-CG 4.31Å; L390-F481 HydrophobicContact CG-CB 4.46Å; L390-F481 HydrophobicContact CG-CD2 3.84Å; L390-F481 HydrophobicContact CG-CE2 4.48Å; L390-F481 HydrophobicContact CG-CG 4.36Å; L399-F481 HydrophobicContact CB-CZ 4.25Å; L399-F481 HydrophobicContact CD2-CE1 4.27Å; L399-F481 HydrophobicContact CD2-CZ 4.09Å; L453-F481 HydrophobicContact CD1-CE1 4.23Å; L453-F481 HydrophobicContact CD2-CE1 4.3Å; Y460-F481 AromaticContact CD2-CD1 3.94Å; Y460-F481 HydrophobicContact CD2-CD1 3.94Å; Y460-F481 HydrophobicContact CD2-CE1 4.19Å; Y460-F481 AromaticContact CE2-CD1 3.84Å; Y460-F481 HydrophobicContact CE2-CD1 3.84Å; Y460-F481 HydrophobicContact CE2-CE1 4.04Å; Y460-F481 HydrophobicContact CE2-CG 4.33Å; I478-F481 HydrophobicContact CG2-CZ 4.47Å; F481-M483 PolarHBondContact O-N 2.86Å; F481-M483 VanDerWaalsContact O-N 3.15Å; F481-C484 VanDerWaalsContact O-CB 3.3Å; F481-C484 WeakPolarHBondContact O-CB 3.31Å; F481-C484 PolarHBondContact O-N 2.84Å; F481-C484 PolarHBondContact O-SG 2.9Å
482	G	88.7	Confident	92.2	Very high	17 Å²	17	45 Å²	45	18%	0.175	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-24.1	-177.1	0	0	0	0	0	114.7	E386 D480	E386-G482 WeakPolarHBondContact OE2-CA 3.42Å; D480-G482 PolarHBondContact OD1-N 3.18Å
483	M	88.5	Confident	92.6	Very high	74 Å²	74	50 Å²	50	37%	0.365	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	4.2	178.9	-67	-69.2	178.2	0	0	113.4	Y460 R461 D462 F481 C498	Y460-M483 CarbonylContact O-C 3.22Å; R461-M483 PolarHBondContact NE-O 2.91Å; R461-M483 PolarHBondContact NH2-O 3.37Å; D462-M483 HydrophobicContact CB-CB 3.82Å; D462-M483 HydrophobicContact CB-CG 3.91Å; F481-M483 PolarHBondContact O-N 2.86Å; F481-M483 VanDerWaalsContact O-N 3.15Å; M483-C498 HydrophobicContact SD-CB 4.23Å
484	C	94	Very high	92.7	Very high	3 Å²	3	47.7 Å²	47.7	2%	0.02	26%	0.258	C	S	.	.			trans	-63.5	156	-178.5	-74.7	0	0	0	0	112.7	V385 V389 V458 I459 R461 F481	V385-C484 HydrophobicContact CG1-CB 4.09Å; V389-C484 HydrophobicContact CG2-CB 4.06Å; V458-C484 HydrophobicContact CG1-CB 3.95Å; I459-C484 CarbonylContact O-C 2.95Å; I459-C484 VanDerWaalsContact O-CA 3.28Å; I459-C484 WeakPolarHBondContact O-CA 3.45Å; R461-C484 PolarHBondContact NH2-O 2.93Å; F481-C484 VanDerWaalsContact O-CB 3.3Å; F481-C484 WeakPolarHBondContact O-CB 3.31Å; F481-C484 PolarHBondContact O-N 2.84Å; F481-C484 PolarHBondContact O-SG 2.9Å
485	K	94	Very high	92.5	Very high	84 Å²	84	56.6 Å²	56.6	37%	0.365	29%	0.291	S	S	.	.	B	Isolated β-bridge	trans	-133.3	119.2	169.8	-170.7	70.2	175.6	179.3	0	110	V458 I459 M488	V458-K485 WeakPolarHBondContact CA-O 3.46Å; I459-K485 HydrophobicContact CD1-CB 4.18Å; I459-K485 HydrophobicContact CG1-CB 3.76Å; I459-K485 PolarHBondContact N-O 3.35Å; I459-K485 PolarHBondContact O-N 3.45Å; K485-M488 HydrophobicContact CB-CG 4.1Å; K485-M488 HydrophobicContact CG-CG 3.81Å; K485-M488 HydrophobicContact CG-SD 3.97Å; K485-M488 WeakPolarHBondContact O-CG 3.37Å
486	E	94.5	Very high	91.8	Very high	34 Å²	34	59.4 Å²	59.4	16%	0.159	31%	0.309	C	S	.	.	S	Bend	trans	-80.9	171.2	173.9	-65.9	173.8	117.5	0	0	111.8	V385 R388 V389 G457 V458 M488	V385-E486 HydrophobicContact CG1-CG 4.01Å; R388-E486 WeakPolarHBondContact CB-OE1 3.17Å; R388-E486 IonicContact CZ-OE2 3.8Å; R388-E486 VanDerWaalsContact CZ-OE2 3.25Å; R388-E486 IonicContact NE-OE1 3.96Å; R388-E486 IonicContact NE-OE2 2.69Å; R388-E486 PolarHBondContact NE-OE2 2.97Å; R388-E486 IonicContact NH2-OE2 2.7Å; R388-E486 PolarHBondContact NH2-OE2 3.26Å; V389-E486 HydrophobicContact CG2-CG 4.06Å; G457-E486 CarbonylContact O-C 3.56Å; V458-E486 HydrophobicContact CG2-CG 4.14Å; E486-M488 VanDerWaalsContact C-N 3.27Å; E486-M488 PolarHBondContact O-N 3.4Å
487	N	93.9	Very high	91.1	Very high	132 Å²	132	63.5 Å²	63.5	71%	0.706	33%	0.327	S	S	*	.			trans	62.8	31.2	179.9	-54.1	-54.7	0	0	0	113.7	G457	G457-N487 PolarHBondContact O-N 3.19Å; G457-N487 VanDerWaalsContact O-N 3.08Å
488	M	95	Very high	90.3	Very high	16 Å²	16	64 Å²	64	8%	0.079	33%	0.331	C	S	.	.			trans	-103.5	46.8	-177.8	-64	-58.2	-59.5	0	0	111.9	G457 I459 K485 E486 M492 T494	G457-M488 PolarHBondContact O-N 3.5Å; I459-M488 HydrophobicContact CD1-CE 3.83Å; I459-M488 HydrophobicContact CD1-CG 3.95Å; I459-M488 HydrophobicContact CD1-SD 4.46Å; I459-M488 HydrophobicContact CG1-CB 4.31Å; I459-M488 HydrophobicContact CG1-CG 3.89Å; I459-M488 HydrophobicContact CG2-CB 3.83Å; I459-M488 HydrophobicContact CG2-CG 4.35Å; K485-M488 HydrophobicContact CB-CG 4.1Å; K485-M488 HydrophobicContact CG-CG 3.81Å; K485-M488 HydrophobicContact CG-SD 3.97Å; K485-M488 WeakPolarHBondContact O-CG 3.37Å; E486-M488 VanDerWaalsContact C-N 3.27Å; E486-M488 PolarHBondContact O-N 3.4Å; M488-M492 WeakPolarHBondContact CE-O 3.33Å; M488-T494 HydrophobicContact CE-CG2 3.96Å; M488-T494 HydrophobicContact SD-CG2 4.41Å
489	V	90.6	Very high	89.3	Confident	90 Å²	90	65.3 Å²	65.3	55%	0.545	35%	0.345	S	S	.	.			trans	-66	171	171.9	-61.5	0	0	0	0	111.5	G491 M492	V489-G491 PolarHBondContact O-N 3.02Å; V489-M492 HydrophobicContact CG2-CG 3.61Å; V489-M492 VanDerWaalsContact O-CB 3.31Å; V489-M492 WeakPolarHBondContact O-CB 3.43Å; V489-M492 PolarHBondContact O-N 3.48Å
490	E	86	Confident	88.8	Confident	149 Å²	149	66 Å²	66	70%	0.696	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	132.4	-178.8	-170.3	167.9	-163	0	0	112.3	M492	E490-M492 VanDerWaalsContact C-N 3.31Å; E490-M492 PolarHBondContact O-N 3.45Å
491	G	86.6	Confident	88.5	Confident	54 Å²	54	64.6 Å²	64.6	56%	0.557	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.7	-7.9	-176	0	0	0	0	0	115.3	V489 F493	V489-G491 PolarHBondContact O-N 3.02Å; G491-F493 WeakPolarHBondContact O-CD2 3.27Å; G491-F493 WeakPolarHBondContact O-CE2 3.37Å
492	M	93.1	Very high	88.1	Confident	99 Å²	99	66.3 Å²	66.3	49%	0.488	35%	0.351	S	S	.	.			trans	-87.4	141.4	174.4	-61.7	-59.6	-69.3	0	0	111.7	M488 V489 E490	M488-M492 WeakPolarHBondContact CE-O 3.33Å; V489-M492 HydrophobicContact CG2-CG 3.61Å; V489-M492 VanDerWaalsContact O-CB 3.31Å; V489-M492 WeakPolarHBondContact O-CB 3.43Å; V489-M492 PolarHBondContact O-N 3.48Å; E490-M492 VanDerWaalsContact C-N 3.31Å; E490-M492 PolarHBondContact O-N 3.45Å
493	F	94.2	Very high	88.4	Confident	134 Å²	134	66.2 Å²	66.2	59%	0.588	35%	0.345	S	S	*	.			trans	-134.5	147.7	-177.2	-60.2	-83.1	0	0	0	111.9	G491 P513 Y514	G491-F493 WeakPolarHBondContact O-CD2 3.27Å; G491-F493 WeakPolarHBondContact O-CE2 3.37Å; F493-P513 HydrophobicContact CB-CB 3.71Å; F493-P513 HydrophobicContact CD1-CB 4.28Å; F493-P513 HydrophobicContact CG-CB 4.09Å; F493-Y514 CarbonylContact C-O 3.48Å; F493-Y514 VanDerWaalsContact CA-O 3.3Å; F493-Y514 WeakPolarHBondContact CA-O 3.4Å
494	T	90.4	Very high	88.4	Confident	17 Å²	17	62.9 Å²	62.9	10%	0.104	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	-121.8	170.5	169.7	-174	0	0	0	0	110.3	I459 M488 P513 Y514	I459-T494 HydrophobicContact CD1-CG2 4.05Å; M488-T494 HydrophobicContact CE-CG2 3.96Å; M488-T494 HydrophobicContact SD-CG2 4.41Å; T494-P513 WeakPolarHBondContact O-CA 3.42Å; T494-Y514 HydrophobicContact CG2-CD2 3.84Å; T494-Y514 HydrophobicContact CG2-CE1 4.14Å; T494-Y514 HydrophobicContact CG2-CE2 3.3Å; T494-Y514 HydrophobicContact CG2-CG 4.47Å; T494-Y514 VanDerWaalsContact CG2-CZ 3.47Å; T494-Y514 PolarHBondContact N-O 2.98Å; T494-Y514 PolarHBondContact O-N 3.49Å
495	R	87.1	Confident	88.5	Confident	186 Å²	186	62.8 Å²	62.8	70%	0.702	33%	0.328	S	S	*	.			trans	-133.8	2.4	-177.3	-68.1	-178.4	175.8	140.8	2	114.2	F497 P513	R495-F497 PolarHBondContact O-N 2.85Å; R495-P513 HydrophobicContact CG-CB 4.37Å
496	T	81.9	Confident	88.6	Confident	70 Å²	70	59 Å²	59	43%	0.429	31%	0.312	S	S	.	.			trans	-59.3	126.7	-179.9	-50.1	0	0	0	0	109.8	C498 Y514	T496-C498 HydrophobicContact CG2-CB 4.31Å; T496-C498 PolarHBondContact O-N 2.79Å; T496-Y514 VanDerWaalsContact O-CE1 3.28Å; T496-Y514 WeakPolarHBondContact O-CE1 3.37Å; T496-Y514 PolarHBondContact O-OH 3.25Å
497	F	82.4	Confident	88.5	Confident	86 Å²	86	57.6 Å²	57.6	38%	0.377	31%	0.306	S	S	.	.			trans	-81.5	106.3	173.1	-169.3	-78.8	0	0	0	108.4	R495 I504 I508 Y511 F546	R495-F497 PolarHBondContact O-N 2.85Å; F497-I504 HydrophobicContact CD1-CD1 4.44Å; F497-I504 HydrophobicContact CE1-CD1 3.81Å; F497-I504 HydrophobicContact CE2-CD1 4.12Å; F497-I504 HydrophobicContact CZ-CD1 3.62Å; F497-I508 HydrophobicContact CD2-CG2 3.84Å; F497-I508 HydrophobicContact CE2-CG2 4.19Å; F497-I508 HydrophobicContact CG-CG2 4.24Å; F497-Y511 HydrophobicContact CD2-CD1 4.49Å; F497-Y511 AromaticContact CD2-CE1 3.99Å; F497-Y511 HydrophobicContact CD2-CE1 3.99Å; F497-F546 HydrophobicContact CZ-CE2 4.06Å; F497-F546 HydrophobicContact CZ-CZ 4.12Å
498	C	80.3	Confident	88.3	Confident	17 Å²	17	51.7 Å²	51.7	12%	0.115	27%	0.274	C	S	.	.			trans	-153.4	169.6	-177.1	64.5	0	0	0	0	111.1	R461 M483 T496	R461-C498 PolarHBondContact NH1-SG 3.17Å; R461-C498 VanDerWaalsContact NH1-SG 3.43Å; M483-C498 HydrophobicContact SD-CB 4.23Å; T496-C498 HydrophobicContact CG2-CB 4.31Å; T496-C498 PolarHBondContact O-N 2.79Å
499	G	77.9	Confident	88	Confident	27 Å²	27	52.1 Å²	52.1	28%	0.278	28%	0.276	S	S	.	.	S	Bend	trans	108.6	167.2	-178.6	0	0	0	0	0	112.2
500	T	82.3	Confident	87.6	Confident	32 Å²	32	50 Å²	50	20%	0.196	27%	0.266	C	S	.	.			trans	-77.1	132.6	178.8	-59.5	0	0	0	0	110.1	D462 K464 D502 Y503 I504	D462-T500 PolarHBondContact OD1-N 2.93Å; D462-T500 PolarHBondContact OD1-OG1 3.19Å; K464-T500 HydrophobicContact CD-CG2 4.3Å; K464-T500 WeakPolarHBondContact CD-OG1 3.44Å; K464-T500 PolarHBondContact NZ-OG1 3.45Å; T500-D502 VanDerWaalsContact C-N 3.35Å; T500-D502 PolarHBondContact O-N 3.15Å; T500-Y503 HydrophobicContact CG2-CD2 4.1Å; T500-Y503 PolarHBondContact O-N 3.32Å; T500-I504 PolarHBondContact O-N 3.26Å; T500-I504 VanDerWaalsContact O-N 3.13Å
501	P	83.3	Confident	87.5	Confident	33 Å²	33	51.2 Å²	51.2	21%	0.214	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-49.8	-44.1	-171.1	-32.3	36.6	0	0	0	115.7	Y503 I504 L545 F546	P501-Y503 PolarHBondContact O-N 2.82Å; P501-I504 WeakPolarHBondContact O-CG2 3.31Å; P501-I504 PolarHBondContact O-N 3.25Å; P501-L545 HydrophobicContact CB-CD2 3.88Å; P501-F546 HydrophobicContact CB-CE1 4.07Å; P501-F546 HydrophobicContact CB-CZ 4.48Å
502	D	85.4	Confident	87.5	Confident	39 Å²	39	53.6 Å²	53.6	21%	0.209	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-66	-25.2	-179.3	-57.7	-86.3	0	0	0	113.7	T500	T500-D502 VanDerWaalsContact C-N 3.35Å; T500-D502 PolarHBondContact O-N 3.15Å
503	Y	94.7	Very high	87.4	Confident	14 Å²	14	51.6 Å²	51.6	6%	0.055	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-103.3	-3.4	-175.4	-64.8	-96.7	0	0	0	112.8	L463 K464 L465 T500 P501 W521 V525 L526 E529	L463-Y503 WeakPolarHBondContact O-CD1 3.33Å; K464-Y503 HydrophobicContact CB-CD1 4.39Å; K464-Y503 HydrophobicContact CB-CD2 3.85Å; K464-Y503 HydrophobicContact CB-CE1 4.14Å; K464-Y503 HydrophobicContact CB-CE2 3.56Å; K464-Y503 HydrophobicContact CB-CG 4.25Å; L465-Y503 WeakPolarHBondContact CG-OH 3.29Å; L465-Y503 PolarHBondContact N-OH 3.07Å; T500-Y503 HydrophobicContact CG2-CD2 4.1Å; T500-Y503 PolarHBondContact O-N 3.32Å; P501-Y503 PolarHBondContact O-N 2.82Å; Y503-W521 VanDerWaalsContact O-CD1 3.28Å; Y503-V525 HydrophobicContact CD1-CB 3.9Å; Y503-V525 HydrophobicContact CD1-CG1 3.59Å; Y503-V525 HydrophobicContact CE1-CB 4.31Å; Y503-V525 HydrophobicContact CE1-CG1 3.77Å; Y503-V525 HydrophobicContact CG-CG1 4.12Å; Y503-L526 HydrophobicContact CE1-CB 3.91Å; Y503-L526 HydrophobicContact CE1-CG 4.47Å; Y503-E529 PolarHBondContact OH-OE2 2.92Å
504	I	89.7	Confident	87.5	Confident	5 Å²	5	45.3 Å²	45.3	3%	0.026	23%	0.229	C	C	.	.			trans	-70	137.6	-174.1	-153.9	174.6	0	0	0	110.9	F497 T500 P501 I508 I509 W521 F546 I549	F497-I504 HydrophobicContact CD1-CD1 4.44Å; F497-I504 HydrophobicContact CE1-CD1 3.81Å; F497-I504 HydrophobicContact CE2-CD1 4.12Å; F497-I504 HydrophobicContact CZ-CD1 3.62Å; T500-I504 PolarHBondContact O-N 3.26Å; T500-I504 VanDerWaalsContact O-N 3.13Å; P501-I504 WeakPolarHBondContact O-CG2 3.31Å; P501-I504 PolarHBondContact O-N 3.25Å; I504-I508 HydrophobicContact CD1-CB 4.25Å; I504-I508 HydrophobicContact CD1-CG2 3.7Å; I504-I508 HydrophobicContact CG1-CB 3.94Å; I504-I508 HydrophobicContact CG1-CD1 3.98Å; I504-I508 HydrophobicContact CG1-CG2 3.88Å; I504-I509 HydrophobicContact CG2-CD1 3.68Å; I504-I509 HydrophobicContact CG2-CG1 3.67Å; I504-W521 PolarHBondContact O-NE1 2.92Å; I504-F546 HydrophobicContact CG2-CD1 4.07Å; I504-F546 HydrophobicContact CG2-CE1 3.77Å; I504-I549 HydrophobicContact CG2-CD1 4.01Å
505	A	95.1	Very high	87.7	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.008	23%	0.227	C	C	.	.			trans	-81.9	149	-176.4	0	0	0	0	0	112.7	Q507 I508 I509 V518 W521	A505-Q507 PolarHBondContact O-N 2.9Å; A505-Q507 VanDerWaalsContact O-N 3.11Å; A505-I508 HydrophobicContact CB-CD1 4.36Å; A505-I508 HydrophobicContact CB-CG1 4.38Å; A505-I508 WeakPolarHBondContact O-CB 3.32Å; A505-I508 PolarHBondContact O-N 3.23Å; A505-I509 PolarHBondContact O-N 2.71Å; A505-V518 HydrophobicContact CB-CB 4.18Å; A505-V518 HydrophobicContact CB-CG1 4.01Å; A505-W521 VanDerWaalsContact CA-CD1 3.46Å; A505-W521 HydrophobicContact CB-CB 3.84Å; A505-W521 HydrophobicContact CB-CD2 4.33Å; A505-W521 HydrophobicContact CB-CG 3.67Å
506	P	95.6	Very high	88.1	Confident	4 Å²	4	39.4 Å²	39.4	3%	0.026	21%	0.207	C	C	.	.	H	α-helix	trans	-52.5	-37.7	-179.6	-30.7	35.2	0	0	0	114.5	I508 I509 S510 W521 I549 M550 K574	P506-I508 VanDerWaalsContact C-N 3.33Å; P506-I508 PolarHBondContact O-N 2.99Å; P506-I509 PolarHBondContact O-N 3.21Å; P506-S510 WeakPolarHBondContact O-CB 3.27Å; P506-S510 PolarHBondContact O-N 3.18Å; P506-S510 PolarHBondContact O-OG 3.27Å; P506-W521 VanDerWaalsContact CD-CD2 3.49Å; P506-W521 VanDerWaalsContact CD-CE2 3.47Å; P506-W521 HydrophobicContact CG-CD2 4.36Å; P506-W521 HydrophobicContact CG-CE3 4.06Å; P506-W521 HydrophobicContact CG-CH2 3.49Å; P506-W521 VanDerWaalsContact CG-CH2 3.49Å; P506-W521 HydrophobicContact CG-CZ2 3.85Å; P506-W521 HydrophobicContact CG-CZ3 3.6Å; P506-I549 HydrophobicContact CG-CG2 3.86Å; P506-M550 HydrophobicContact CB-SD 3.59Å; P506-M550 VanDerWaalsContact CB-SD 3.59Å; P506-M550 VanDerWaalsContact O-SD 3.42Å; P506-K574 HydrophobicContact CG-CB 4.31Å; P506-K574 HydrophobicContact CG-CG 4.22Å
507	Q	93.8	Very high	88.8	Confident	4 Å²	4	36.9 Å²	36.9	2%	0.019	19%	0.192	C	C	.	.	H	α-helix	trans	-68.7	-29.3	179	66.4	-83.5	11.3	0	0	113	A505 Y511 Q512 S517 V518 P576	A505-Q507 PolarHBondContact O-N 2.9Å; A505-Q507 VanDerWaalsContact O-N 3.11Å; Q507-Y511 PolarHBondContact O-N 3.28Å; Q507-Q512 HydrophobicContact CB-CB 4.15Å; Q507-Q512 WeakPolarHBondContact O-CB 3.18Å; Q507-Q512 PolarHBondContact O-N 3Å; Q507-S517 PolarHBondContact NE2-OG 3.37Å; Q507-V518 HydrophobicContact CG-CG1 4.26Å; Q507-P576 HydrophobicContact CB-CG 4.15Å; Q507-P576 HydrophobicContact CG-CG 4.13Å
508	I	89.4	Confident	89.5	Confident	9 Å²	9	33 Å²	33	5%	0.046	18%	0.175	C	C	.	.	H	α-helix	trans	-71.5	-46.6	173.6	-56.8	175.9	0	0	0	109.6	F497 I504 A505 P506 S510 Y511 Y514 V518	F497-I508 HydrophobicContact CD2-CG2 3.84Å; F497-I508 HydrophobicContact CE2-CG2 4.19Å; F497-I508 HydrophobicContact CG-CG2 4.24Å; I504-I508 HydrophobicContact CD1-CB 4.25Å; I504-I508 HydrophobicContact CD1-CG2 3.7Å; I504-I508 HydrophobicContact CG1-CB 3.94Å; I504-I508 HydrophobicContact CG1-CD1 3.98Å; I504-I508 HydrophobicContact CG1-CG2 3.88Å; A505-I508 HydrophobicContact CB-CD1 4.36Å; A505-I508 HydrophobicContact CB-CG1 4.38Å; A505-I508 WeakPolarHBondContact O-CB 3.32Å; A505-I508 PolarHBondContact O-N 3.23Å; P506-I508 VanDerWaalsContact C-N 3.33Å; P506-I508 PolarHBondContact O-N 2.99Å; I508-S510 PolarHBondContact O-N 2.99Å; I508-Y511 PolarHBondContact O-N 3.16Å; I508-Y514 HydrophobicContact CD1-CE1 4.33Å; I508-Y514 HydrophobicContact CG1-CD1 3.73Å; I508-Y514 HydrophobicContact CG1-CE1 3.79Å; I508-Y514 HydrophobicContact CG1-CG 4.14Å; I508-Y514 HydrophobicContact CG2-CE1 4.46Å; I508-V518 HydrophobicContact CD1-CB 4.06Å; I508-V518 HydrophobicContact CD1-CG1 3.68Å; I508-V518 HydrophobicContact CG1-CG1 3.78Å
509	I	87.6	Confident	90.4	Very high	24 Å²	24	32.2 Å²	32.2	12%	0.123	17%	0.17	C	C	.	.	H	α-helix	trans	-55.5	-39.9	176	-62.6	168.7	0	0	0	111	I504 A505 P506 Y511 F546 I549 M550	I504-I509 HydrophobicContact CG2-CD1 3.68Å; I504-I509 HydrophobicContact CG2-CG1 3.67Å; A505-I509 PolarHBondContact O-N 2.71Å; P506-I509 PolarHBondContact O-N 3.21Å; I509-Y511 VanDerWaalsContact O-CD2 3.32Å; I509-Y511 WeakPolarHBondContact O-CD2 3.48Å; I509-Y511 PolarHBondContact O-N 2.88Å; I509-F546 HydrophobicContact CD1-CB 4.05Å; I509-F546 HydrophobicContact CD1-CD1 3.87Å; I509-F546 HydrophobicContact CD1-CG 4.13Å; I509-F546 HydrophobicContact CG1-CB 4.43Å; I509-F546 HydrophobicContact CG1-CD1 4.1Å; I509-F546 HydrophobicContact CG1-CG 4.2Å; I509-F546 HydrophobicContact CG2-CB 3.92Å; I509-F546 HydrophobicContact CG2-CG 4.28Å; I509-I549 HydrophobicContact CD1-CB 3.82Å; I509-I549 HydrophobicContact CD1-CD1 3.97Å; I509-I549 HydrophobicContact CD1-CG2 3.51Å; I509-M550 HydrophobicContact CB-SD 4.21Å; I509-M550 HydrophobicContact CD1-CG 4.44Å; I509-M550 HydrophobicContact CG2-CG 3.97Å; I509-M550 HydrophobicContact CG2-SD 4.23Å
510	S	83.1	Confident	91.4	Very high	47 Å²	47	31.1 Å²	31.1	33%	0.329	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	7.2	179.1	-57	0	0	0	0	114.1	P506 I508 Q512 M550	P506-S510 WeakPolarHBondContact O-CB 3.27Å; P506-S510 PolarHBondContact O-N 3.18Å; P506-S510 PolarHBondContact O-OG 3.27Å; I508-S510 PolarHBondContact O-N 2.99Å; S510-Q512 PolarHBondContact O-N 3.29Å; S510-Q512 VanDerWaalsContact O-N 3.12Å; S510-M550 WeakPolarHBondContact OG-CE 3.44Å
511	Y	82.8	Confident	92.2	Very high	174 Å²	174	29.6 Å²	29.6	68%	0.682	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.3	27.8	-176.5	-62.9	-92.4	0	0	0	114.1	F497 Q507 I508 I509	F497-Y511 HydrophobicContact CD2-CD1 4.49Å; F497-Y511 AromaticContact CD2-CE1 3.99Å; F497-Y511 HydrophobicContact CD2-CE1 3.99Å; Q507-Y511 PolarHBondContact O-N 3.28Å; I508-Y511 PolarHBondContact O-N 3.16Å; I509-Y511 VanDerWaalsContact O-CD2 3.32Å; I509-Y511 WeakPolarHBondContact O-CD2 3.48Å; I509-Y511 PolarHBondContact O-N 2.88Å
512	Q	88.2	Confident	92.9	Very high	104 Å²	104	28.3 Å²	28.3	49%	0.486	14%	0.14	S	C	.	.			trans	-82	148.4	177	-65.8	-176.5	-2.8	0	0	110.6	Q507 S510 Y514	Q507-Q512 HydrophobicContact CB-CB 4.15Å; Q507-Q512 WeakPolarHBondContact O-CB 3.18Å; Q507-Q512 PolarHBondContact O-N 3Å; S510-Q512 PolarHBondContact O-N 3.29Å; S510-Q512 VanDerWaalsContact O-N 3.12Å; Q512-Y514 PolarHBondContact O-N 3.25Å
513	P	91.2	Very high	93.5	Very high	57 Å²	57	26.5 Å²	26.5	37%	0.37	13%	0.131	S	C	.	.			trans	-57.6	138.3	169.5	-14	24.9	0	0	0	110.8	F493 T494 R495	F493-P513 HydrophobicContact CB-CB 3.71Å; F493-P513 HydrophobicContact CD1-CB 4.28Å; F493-P513 HydrophobicContact CG-CB 4.09Å; T494-P513 WeakPolarHBondContact O-CA 3.42Å; R495-P513 HydrophobicContact CG-CB 4.37Å
514	Y	94.6	Very high	93.7	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.008	13%	0.128	C	C	.	.	B	Isolated β-bridge	trans	-139.1	158.7	-177.4	67.6	-98.6	0	0	0	112.2	I459 R461 F493 T494 T496 I508 Q512 V518	I459-Y514 HydrophobicContact CD1-CD2 4.37Å; I459-Y514 HydrophobicContact CD1-CE2 4.02Å; R461-Y514 PolarHBondContact NH1-OH 2.79Å; F493-Y514 CarbonylContact C-O 3.48Å; F493-Y514 VanDerWaalsContact CA-O 3.3Å; F493-Y514 WeakPolarHBondContact CA-O 3.4Å; T494-Y514 HydrophobicContact CG2-CD2 3.84Å; T494-Y514 HydrophobicContact CG2-CE1 4.14Å; T494-Y514 HydrophobicContact CG2-CE2 3.3Å; T494-Y514 HydrophobicContact CG2-CG 4.47Å; T494-Y514 VanDerWaalsContact CG2-CZ 3.47Å; T494-Y514 PolarHBondContact N-O 2.98Å; T494-Y514 PolarHBondContact O-N 3.49Å; T496-Y514 VanDerWaalsContact O-CE1 3.28Å; T496-Y514 WeakPolarHBondContact O-CE1 3.37Å; T496-Y514 PolarHBondContact O-OH 3.25Å; I508-Y514 HydrophobicContact CD1-CE1 4.33Å; I508-Y514 HydrophobicContact CG1-CD1 3.73Å; I508-Y514 HydrophobicContact CG1-CE1 3.79Å; I508-Y514 HydrophobicContact CG1-CG 4.14Å; I508-Y514 HydrophobicContact CG2-CE1 4.46Å; Q512-Y514 PolarHBondContact O-N 3.25Å; Y514-V518 HydrophobicContact CD2-CB 4.29Å; Y514-V518 HydrophobicContact CD2-CG1 3.37Å; Y514-V518 HydrophobicContact CD2-CG2 3.91Å; Y514-V518 HydrophobicContact CE2-CG1 4.09Å; Y514-V518 HydrophobicContact CE2-CG2 4.08Å; Y514-V518 HydrophobicContact CG-CG1 3.63Å
515	G	95.1	Very high	94.2	Very high	7 Å²	7	25.6 Å²	25.6	7%	0.072	13%	0.127	C	C	.	.			trans	-133	-145.8	174.5	0	0	0	0	0	110.1	S517 V518	G515-S517 PolarHBondContact O-N 3.41Å; G515-V518 WeakPolarHBondContact O-CG2 3.45Å; G515-V518 PolarHBondContact O-N 2.93Å
516	R	95.7	Very high	94.3	Very high	72 Å²	72	25.6 Å²	25.6	27%	0.272	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-17.4	-177.9	65.8	179.9	175.7	-174.4	-2.3	116.3	I459 V518 D519	I459-R516 HydrophobicContact CG2-CB 3.88Å; R516-V518 PolarHBondContact O-N 2.9Å; R516-D519 PolarHBondContact O-N 3.32Å
517	S	97	Very high	94.5	Very high	16 Å²	16	25.4 Å²	25.4	11%	0.112	13%	0.125	C	C	.	.	H	α-helix	trans	-61.7	-22.6	178.9	63.5	0	0	0	0	114.6	Q507 G515 W521 R579 C582	Q507-S517 PolarHBondContact NE2-OG 3.37Å; G515-S517 PolarHBondContact O-N 3.41Å; S517-W521 PolarHBondContact O-N 2.81Å; S517-R579 PolarHBondContact O-NH1 3.06Å; S517-C582 VanDerWaalsContact CA-SG 3.55Å; S517-C582 WeakPolarHBondContact CB-SG 3.44Å
518	V	98	Very high	94.7	Very high	5 Å²	5	25.4 Å²	25.4	3%	0.03	13%	0.125	C	C	.	.	H	α-helix	trans	-69.8	-35.2	176.8	-60.2	0	0	0	0	112.1	R461 A505 Q507 I508 Y514 G515 R516 W521 A522	R461-V518 HydrophobicContact CG-CG2 4.17Å; A505-V518 HydrophobicContact CB-CB 4.18Å; A505-V518 HydrophobicContact CB-CG1 4.01Å; Q507-V518 HydrophobicContact CG-CG1 4.26Å; I508-V518 HydrophobicContact CD1-CB 4.06Å; I508-V518 HydrophobicContact CD1-CG1 3.68Å; I508-V518 HydrophobicContact CG1-CG1 3.78Å; Y514-V518 HydrophobicContact CD2-CB 4.29Å; Y514-V518 HydrophobicContact CD2-CG1 3.37Å; Y514-V518 HydrophobicContact CD2-CG2 3.91Å; Y514-V518 HydrophobicContact CE2-CG1 4.09Å; Y514-V518 HydrophobicContact CE2-CG2 4.08Å; Y514-V518 HydrophobicContact CG-CG1 3.63Å; G515-V518 WeakPolarHBondContact O-CG2 3.45Å; G515-V518 PolarHBondContact O-N 2.93Å; R516-V518 PolarHBondContact O-N 2.9Å; V518-W521 WeakPolarHBondContact O-CB 3.33Å; V518-W521 PolarHBondContact O-N 3.01Å; V518-A522 PolarHBondContact O-N 2.9Å
519	D	98.3	Very high	95	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-68.8	-39.2	179.1	-65.9	-18.2	0	0	0	110.5	L450 H454 I459 Y460 R461 R516 W521 A522 Y523	L450-D519 HydrophobicContact CD2-CB 4.35Å; H454-D519 IonicContact CD2-OD2 3.54Å; H454-D519 IonicContact CE1-OD2 2.9Å; H454-D519 IonicContact NE2-OD2 2.88Å; H454-D519 PolarHBondContact NE2-OD2 3.07Å; I459-D519 WeakPolarHBondContact CA-OD2 3.37Å; Y460-D519 PolarHBondContact N-OD1 3.24Å; Y460-D519 PolarHBondContact N-OD2 3.38Å; R461-D519 WeakPolarHBondContact CA-OD1 3.32Å; R461-D519 PolarHBondContact N-OD1 3.3Å; R516-D519 PolarHBondContact O-N 3.32Å; D519-W521 VanDerWaalsContact C-N 3.29Å; D519-W521 PolarHBondContact O-N 3.02Å; D519-A522 PolarHBondContact O-N 2.88Å; D519-Y523 VanDerWaalsContact O-CB 3.23Å; D519-Y523 WeakPolarHBondContact O-CB 3.11Å; D519-Y523 PolarHBondContact O-N 3.29Å
520	W	98.6	Very high	95.5	Very high	4 Å²	4	24 Å²	24	2%	0.015	12%	0.117	C	C	.	.	H	α-helix	trans	-67.4	-28.7	175.4	-67.7	127.4	0	0	0	113.8	A447 L450 F451 H454 Y523 G524 L571 G581 I590	A447-W520 HydrophobicContact CB-CH2 4.49Å; A447-W520 HydrophobicContact CB-CZ3 4.48Å; L450-W520 HydrophobicContact CB-CH2 3.95Å; L450-W520 HydrophobicContact CB-CZ2 4.46Å; L450-W520 HydrophobicContact CB-CZ3 4.39Å; L450-W520 HydrophobicContact CD1-CE3 4.22Å; L450-W520 HydrophobicContact CD1-CH2 4.18Å; L450-W520 HydrophobicContact CD1-CZ3 3.78Å; F451-W520 AromaticContact CD1-CH2 3.66Å; F451-W520 HydrophobicContact CD1-CH2 3.66Å; F451-W520 AromaticContact CD1-CZ2 3.64Å; F451-W520 HydrophobicContact CD1-CZ2 3.64Å; F451-W520 AromaticContact CE1-CH2 3.26Å; F451-W520 HydrophobicContact CE1-CH2 3.26Å; F451-W520 AromaticContact CE1-CZ2 3.42Å; F451-W520 HydrophobicContact CE1-CZ2 3.42Å; F451-W520 VanDerWaalsContact CE1-CZ2 3.42Å; F451-W520 HydrophobicContact CE1-CZ3 4.42Å; F451-W520 AromaticContact CZ-CH2 4Å; F451-W520 HydrophobicContact CZ-CH2 4Å; H454-W520 AromaticContact CE1-CE2 3.9Å; H454-W520 AromaticContact CE1-NE1 3.71Å; H454-W520 AromaticContact ND1-CE2 3.98Å; H454-W520 AromaticContact ND1-NE1 3.68Å; W520-Y523 AromaticContact CE3-CD1 3.65Å; W520-Y523 HydrophobicContact CE3-CD1 3.65Å; W520-Y523 HydrophobicContact CE3-CE1 4.3Å; W520-Y523 AromaticContact CE3-CG 3.99Å; W520-Y523 HydrophobicContact CE3-CG 3.99Å; W520-Y523 AromaticContact CZ3-CD1 3.8Å; W520-Y523 HydrophobicContact CZ3-CD1 3.8Å; W520-Y523 HydrophobicContact CZ3-CE1 4.08Å; W520-Y523 HydrophobicContact CZ3-CG 4.08Å; W520-G524 PolarHBondContact O-N 2.77Å; W520-G524 VanDerWaalsContact O-N 3.11Å; W520-L571 HydrophobicContact CB-CD2 4.26Å; W520-L571 HydrophobicContact CE3-CD2 4.32Å; W520-G581 PolarHBondContact NE1-O 3.02Å; W520-G581 VanDerWaalsContact NE1-O 3.14Å; W520-I590 HydrophobicContact CD2-CD1 3.58Å; W520-I590 HydrophobicContact CE3-CD1 3.45Å; W520-I590 VanDerWaalsContact CE3-CD1 3.45Å; W520-I590 HydrophobicContact CG-CD1 4.47Å; W520-I590 HydrophobicContact CH2-CD1 3.48Å; W520-I590 VanDerWaalsContact CH2-CD1 3.48Å; W520-I590 HydrophobicContact CZ2-CD1 3.56Å; W520-I590 HydrophobicContact CZ3-CD1 3.42Å; W520-I590 VanDerWaalsContact CZ3-CD1 3.42Å
521	W	98.7	Very high	96.2	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-66.6	-53.2	169.8	171.4	-85	0	0	0	110.8	Y503 I504 A505 P506 S517 V518 D519 Y523 G524 V525 F537 I549 M572 K574	Y503-W521 VanDerWaalsContact O-CD1 3.28Å; I504-W521 PolarHBondContact O-NE1 2.92Å; A505-W521 VanDerWaalsContact CA-CD1 3.46Å; A505-W521 HydrophobicContact CB-CB 3.84Å; A505-W521 HydrophobicContact CB-CD2 4.33Å; A505-W521 HydrophobicContact CB-CG 3.67Å; P506-W521 VanDerWaalsContact CD-CD2 3.49Å; P506-W521 VanDerWaalsContact CD-CE2 3.47Å; P506-W521 HydrophobicContact CG-CD2 4.36Å; P506-W521 HydrophobicContact CG-CE3 4.06Å; P506-W521 HydrophobicContact CG-CH2 3.49Å; P506-W521 VanDerWaalsContact CG-CH2 3.49Å; P506-W521 HydrophobicContact CG-CZ2 3.85Å; P506-W521 HydrophobicContact CG-CZ3 3.6Å; S517-W521 PolarHBondContact O-N 2.81Å; V518-W521 WeakPolarHBondContact O-CB 3.33Å; V518-W521 PolarHBondContact O-N 3.01Å; D519-W521 VanDerWaalsContact C-N 3.29Å; D519-W521 PolarHBondContact O-N 3.02Å; W521-Y523 PolarHBondContact O-N 3.03Å; W521-G524 WeakPolarHBondContact O-CA 3.33Å; W521-G524 PolarHBondContact O-N 3.07Å; W521-V525 PolarHBondContact O-N 3.4Å; W521-F537 AromaticContact CH2-CE2 3.84Å; W521-F537 HydrophobicContact CH2-CE2 3.84Å; W521-F537 AromaticContact CH2-CZ 3.71Å; W521-F537 HydrophobicContact CH2-CZ 3.71Å; W521-F537 HydrophobicContact CZ2-CD2 4.37Å; W521-F537 AromaticContact CZ2-CE2 3.45Å; W521-F537 HydrophobicContact CZ2-CE2 3.45Å; W521-F537 VanDerWaalsContact CZ2-CE2 3.45Å; W521-F537 AromaticContact CZ2-CZ 3.82Å; W521-F537 HydrophobicContact CZ2-CZ 3.82Å; W521-I549 HydrophobicContact CH2-CG2 4.29Å; W521-I549 HydrophobicContact CZ2-CG2 3.74Å; W521-M572 HydrophobicContact CE3-CB 4.41Å; W521-M572 HydrophobicContact CH2-CB 4.43Å; W521-M572 VanDerWaalsContact CZ3-C 3.49Å; W521-M572 HydrophobicContact CZ3-CB 4.11Å; W521-M572 WeakPolarHBondContact CZ3-O 3.4Å; W521-K574 HydrophobicContact CH2-CG 4.36Å; W521-K574 HydrophobicContact CZ3-CG 4.26Å
522	A	98.6	Very high	96.7	Very high	7 Å²	7	14.7 Å²	14.7	6%	0.058	8%	0.078	C	C	.	.	H	α-helix	trans	-59.7	-36.9	179.3	0	0	0	0	0	111.6	L463 V518 D519 G524 V525 L526	L463-A522 HydrophobicContact CB-CB 3.98Å; V518-A522 PolarHBondContact O-N 2.9Å; D519-A522 PolarHBondContact O-N 2.88Å; A522-G524 VanDerWaalsContact C-N 3.33Å; A522-G524 PolarHBondContact O-N 3.46Å; A522-V525 PolarHBondContact O-N 2.97Å; A522-L526 WeakPolarHBondContact O-CB 3.1Å; A522-L526 PolarHBondContact O-N 3.17Å
523	Y	98.8	Very high	96.7	Very high	1 Å²	1	10.4 Å²	10.4	0%	0.004	6%	0.062	C	C	.	.	H	α-helix	trans	-62	-38.9	172.9	178.9	-108	0	0	0	112.3	A443 I446 A447 L450 L463 D519 W520 W521 L527 L571 F596	A443-Y523 VanDerWaalsContact C-OH 3.24Å; A443-Y523 HydrophobicContact CB-CE2 4.28Å; A443-Y523 WeakPolarHBondContact CB-OH 3.32Å; A443-Y523 WeakPolarHBondContact O-CE2 3.2Å; A443-Y523 PolarHBondContact O-OH 2.89Å; I446-Y523 HydrophobicContact CB-CE2 4.1Å; I446-Y523 HydrophobicContact CG2-CD2 3.78Å; I446-Y523 HydrophobicContact CG2-CE2 3.88Å; A447-Y523 HydrophobicContact CB-CE2 4.29Å; L450-Y523 HydrophobicContact CD1-CD2 4.06Å; L450-Y523 HydrophobicContact CD1-CG 4.23Å; L463-Y523 HydrophobicContact CD2-CD2 4.18Å; D519-Y523 VanDerWaalsContact O-CB 3.23Å; D519-Y523 WeakPolarHBondContact O-CB 3.11Å; D519-Y523 PolarHBondContact O-N 3.29Å; W520-Y523 AromaticContact CE3-CD1 3.65Å; W520-Y523 HydrophobicContact CE3-CD1 3.65Å; W520-Y523 HydrophobicContact CE3-CE1 4.3Å; W520-Y523 AromaticContact CE3-CG 3.99Å; W520-Y523 HydrophobicContact CE3-CG 3.99Å; W520-Y523 AromaticContact CZ3-CD1 3.8Å; W520-Y523 HydrophobicContact CZ3-CD1 3.8Å; W520-Y523 HydrophobicContact CZ3-CE1 4.08Å; W520-Y523 HydrophobicContact CZ3-CG 4.08Å; W521-Y523 PolarHBondContact O-N 3.03Å; Y523-L527 VanDerWaalsContact O-CB 3.25Å; Y523-L527 WeakPolarHBondContact O-CB 3.28Å; Y523-L527 PolarHBondContact O-N 3.47Å; Y523-L571 HydrophobicContact CD1-CD1 3.52Å; Y523-L571 HydrophobicContact CD1-CD2 3.92Å; Y523-L571 HydrophobicContact CD1-CG 4.36Å; Y523-L571 HydrophobicContact CE1-CD1 3.73Å; Y523-L571 HydrophobicContact CE1-CD2 4.44Å; Y523-F596 VanDerWaalsContact OH-CZ 3.29Å; Y523-F596 WeakPolarHBondContact OH-CZ 3.5Å
524	G	98.8	Very high	96.5	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-64.5	-40.8	172.5	0	0	0	0	0	113.6	W520 W521 A522 Y528	W520-G524 PolarHBondContact O-N 2.77Å; W520-G524 VanDerWaalsContact O-N 3.11Å; W521-G524 WeakPolarHBondContact O-CA 3.33Å; W521-G524 PolarHBondContact O-N 3.07Å; A522-G524 VanDerWaalsContact C-N 3.33Å; A522-G524 PolarHBondContact O-N 3.46Å; G524-Y528 WeakPolarHBondContact O-CB 3.27Å; G524-Y528 PolarHBondContact O-N 3.29Å
525	V	98.5	Very high	96.4	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-63.9	-50.8	175	174.6	0	0	0	0	110.4	Y503 W521 A522 L527 Y528 E529 P536 M572	Y503-V525 HydrophobicContact CD1-CB 3.9Å; Y503-V525 HydrophobicContact CD1-CG1 3.59Å; Y503-V525 HydrophobicContact CE1-CB 4.31Å; Y503-V525 HydrophobicContact CE1-CG1 3.77Å; Y503-V525 HydrophobicContact CG-CG1 4.12Å; W521-V525 PolarHBondContact O-N 3.4Å; A522-V525 PolarHBondContact O-N 2.97Å; V525-L527 VanDerWaalsContact C-N 3.35Å; V525-L527 PolarHBondContact O-N 2.85Å; V525-Y528 WeakPolarHBondContact O-CB 3.3Å; V525-Y528 PolarHBondContact O-N 2.85Å; V525-Y528 VanDerWaalsContact O-N 3.15Å; V525-E529 PolarHBondContact O-N 2.82Å; V525-P536 HydrophobicContact CB-CG 4.27Å; V525-P536 HydrophobicContact CG1-CG 3.85Å; V525-P536 HydrophobicContact CG2-CG 4.07Å; V525-M572 HydrophobicContact CG2-CG 4.49Å; V525-M572 HydrophobicContact CG2-SD 4.2Å
526	L	98.3	Very high	96.2	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-57.6	-45.9	177.6	-168.1	157.4	0	0	0	111.5	I446 L463 L465 V468 Y503 A522 Y528 E529 M530	I446-L526 HydrophobicContact CD1-CD2 3.79Å; L463-L526 HydrophobicContact CD1-CD1 3.97Å; L463-L526 HydrophobicContact CD2-CD1 4.29Å; L463-L526 HydrophobicContact CG-CD1 3.73Å; L465-L526 HydrophobicContact CD2-CD2 4.21Å; L465-L526 HydrophobicContact CD2-CG 4.06Å; L465-L526 HydrophobicContact CG-CG 4.49Å; V468-L526 HydrophobicContact CG2-CD1 4.03Å; Y503-L526 HydrophobicContact CE1-CB 3.91Å; Y503-L526 HydrophobicContact CE1-CG 4.47Å; A522-L526 WeakPolarHBondContact O-CB 3.1Å; A522-L526 PolarHBondContact O-N 3.17Å; L526-Y528 PolarHBondContact O-N 3.04Å; L526-E529 PolarHBondContact O-N 2.86Å; L526-M530 HydrophobicContact CD2-CE 3.57Å; L526-M530 HydrophobicContact CD2-CG 4.11Å; L526-M530 HydrophobicContact CD2-SD 3.89Å; L526-M530 WeakPolarHBondContact O-CG 3.13Å; L526-M530 PolarHBondContact O-N 2.73Å
527	L	98.7	Very high	96.1	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-62.5	-42.1	176.9	179	56.4	0	0	0	112.3	A439 A443 Y523 V525 E529 M530 L531 I567 L571 F595	A439-L527 HydrophobicContact CB-CD1 4.49Å; A443-L527 HydrophobicContact CB-CD1 3.87Å; Y523-L527 VanDerWaalsContact O-CB 3.25Å; Y523-L527 WeakPolarHBondContact O-CB 3.28Å; Y523-L527 PolarHBondContact O-N 3.47Å; V525-L527 VanDerWaalsContact C-N 3.35Å; V525-L527 PolarHBondContact O-N 2.85Å; L527-E529 VanDerWaalsContact C-N 3.34Å; L527-M530 HydrophobicContact CD1-CE 3.87Å; L527-M530 PolarHBondContact O-N 2.66Å; L527-L531 HydrophobicContact CD1-CD1 3.72Å; L527-L531 HydrophobicContact CD1-CG 4.2Å; L527-L531 HydrophobicContact CG-CD1 3.84Å; L527-L531 WeakPolarHBondContact O-CD1 3.48Å; L527-L531 VanDerWaalsContact O-CG 3.29Å; L527-L531 WeakPolarHBondContact O-CG 3.04Å; L527-L531 PolarHBondContact O-N 3.01Å; L527-L531 VanDerWaalsContact O-N 3.16Å; L527-I567 HydrophobicContact CD2-CD1 4.09Å; L527-I567 HydrophobicContact CD2-CG1 4.2Å; L527-I567 HydrophobicContact CD2-CG2 3.68Å; L527-L571 HydrophobicContact CD2-CD1 4.2Å; L527-F595 HydrophobicContact CD1-CE1 3.86Å; L527-F595 HydrophobicContact CD1-CZ 3.84Å; L527-F595 HydrophobicContact CD2-CD1 4.48Å; L527-F595 HydrophobicContact CD2-CE1 3.99Å; L527-F595 HydrophobicContact CD2-CZ 4.39Å
528	Y	98.4	Very high	95.5	Very high	5 Å²	5	15.9 Å²	15.9	2%	0.02	9%	0.089	C	C	.	.	H	α-helix	trans	-61.1	-45.4	175.3	177	-85.3	0	0	0	111	G524 V525 L526 M530 L531 A532 Q534 P536 V554 S555 Y556 M560 M572	G524-Y528 WeakPolarHBondContact O-CB 3.27Å; G524-Y528 PolarHBondContact O-N 3.29Å; V525-Y528 WeakPolarHBondContact O-CB 3.3Å; V525-Y528 PolarHBondContact O-N 2.85Å; V525-Y528 VanDerWaalsContact O-N 3.15Å; L526-Y528 PolarHBondContact O-N 3.04Å; Y528-M530 PolarHBondContact O-N 3.37Å; Y528-L531 PolarHBondContact O-N 3.41Å; Y528-L531 VanDerWaalsContact O-N 3.12Å; Y528-A532 HydrophobicContact CD1-CB 4Å; Y528-A532 HydrophobicContact CE1-CB 3.58Å; Y528-A532 HydrophobicContact CE2-CB 4.14Å; Y528-A532 HydrophobicContact CG-CB 4.46Å; Y528-A532 VanDerWaalsContact O-CB 3.24Å; Y528-A532 WeakPolarHBondContact O-CB 3.22Å; Y528-A532 PolarHBondContact O-N 3.32Å; Y528-Q534 WeakPolarHBondContact CD1-O 3.18Å; Y528-Q534 HydrophobicContact CE1-CG 4.43Å; Y528-Q534 WeakPolarHBondContact CE1-O 3.46Å; Y528-P536 HydrophobicContact CD1-CB 3.57Å; Y528-P536 HydrophobicContact CD1-CG 3.99Å; Y528-P536 HydrophobicContact CD2-CB 4.38Å; Y528-P536 HydrophobicContact CE1-CB 3.77Å; Y528-P536 HydrophobicContact CG-CB 3.89Å; Y528-P536 HydrophobicContact CG-CG 4.39Å; Y528-V554 HydrophobicContact CD2-CG1 3.94Å; Y528-V554 HydrophobicContact CE2-CG1 3.61Å; Y528-S555 WeakPolarHBondContact CE2-O 3.49Å; Y528-S555 PolarHBondContact OH-O 3.38Å; Y528-Y556 HydrophobicContact CD2-CD1 4.26Å; Y528-Y556 HydrophobicContact CD2-CE1 4.12Å; Y528-Y556 HydrophobicContact CE2-CD1 4.07Å; Y528-Y556 HydrophobicContact CE2-CE1 4.26Å; Y528-M560 HydrophobicContact CD2-SD 4.49Å; Y528-M560 HydrophobicContact CE2-SD 4.36Å; Y528-M572 HydrophobicContact CD2-CE 4Å; Y528-M572 HydrophobicContact CG-CE 4.12Å
529	E	96.2	Very high	94.5	Very high	2 Å²	2	16.3 Å²	16.3	1%	0.009	10%	0.095	C	C	.	.	H	α-helix	trans	-59.7	-45.3	177.9	-76.2	-175.9	-174.2	0	0	112	L123 I428 L465 Y503 V525 L526 L527 L531 A532 G533	L123-E529 HydrophobicContact CD1-CG 4.39Å; I428-E529 VanDerWaalsContact CD1-O 3.28Å; I428-E529 WeakPolarHBondContact CD1-O 3.47Å; L465-E529 HydrophobicContact CD1-CB 4.22Å; L465-E529 WeakPolarHBondContact CD1-OE2 2.94Å; Y503-E529 PolarHBondContact OH-OE2 2.92Å; V525-E529 PolarHBondContact O-N 2.82Å; L526-E529 PolarHBondContact O-N 2.86Å; L527-E529 VanDerWaalsContact C-N 3.34Å; E529-L531 PolarHBondContact O-N 2.75Å; E529-A532 PolarHBondContact O-N 2.97Å; E529-G533 VanDerWaalsContact O-CA 3.29Å; E529-G533 WeakPolarHBondContact O-CA 3.37Å; E529-G533 PolarHBondContact O-N 3.32Å
530	M	97.3	Very high	93.1	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-56.2	-38.8	175	-72.3	-165.4	-64.3	0	0	112.8	L424 F434 A439 Y442 A443 L465 L526 L527 Y528	L424-M530 HydrophobicContact CD1-SD 4.11Å; F434-M530 HydrophobicContact CD2-CB 3.83Å; F434-M530 HydrophobicContact CD2-CG 3.69Å; F434-M530 HydrophobicContact CD2-SD 3.92Å; F434-M530 HydrophobicContact CE2-CG 3.94Å; F434-M530 HydrophobicContact CE2-SD 4.12Å; F434-M530 PolarHBondContact N-O 3.43Å; A439-M530 HydrophobicContact CB-CB 4.05Å; Y442-M530 HydrophobicContact CD2-SD 4.37Å; A443-M530 HydrophobicContact CB-CE 4.02Å; L465-M530 HydrophobicContact CD2-CG 4.13Å; L526-M530 HydrophobicContact CD2-CE 3.57Å; L526-M530 HydrophobicContact CD2-CG 4.11Å; L526-M530 HydrophobicContact CD2-SD 3.89Å; L526-M530 WeakPolarHBondContact O-CG 3.13Å; L526-M530 PolarHBondContact O-N 2.73Å; L527-M530 HydrophobicContact CD1-CE 3.87Å; L527-M530 PolarHBondContact O-N 2.66Å; Y528-M530 PolarHBondContact O-N 3.37Å
531	L	97.7	Very high	91.9	Very high	12 Å²	12	25.2 Å²	25.2	6%	0.063	14%	0.139	C	C	.	.	H	α-helix	trans	-85.9	-32.8	-175.4	-68.5	165.4	0	0	0	113.7	E436 A439 L527 Y528 E529 M560 A564 F595	E436-L531 HydrophobicContact CB-CD2 4.21Å; E436-L531 HydrophobicContact CG-CD2 4.14Å; A439-L531 HydrophobicContact CB-CD2 3.61Å; A439-L531 HydrophobicContact CB-CG 4.02Å; L527-L531 HydrophobicContact CD1-CD1 3.72Å; L527-L531 HydrophobicContact CD1-CG 4.2Å; L527-L531 HydrophobicContact CG-CD1 3.84Å; L527-L531 WeakPolarHBondContact O-CD1 3.48Å; L527-L531 VanDerWaalsContact O-CG 3.29Å; L527-L531 WeakPolarHBondContact O-CG 3.04Å; L527-L531 PolarHBondContact O-N 3.01Å; L527-L531 VanDerWaalsContact O-N 3.16Å; Y528-L531 PolarHBondContact O-N 3.41Å; Y528-L531 VanDerWaalsContact O-N 3.12Å; E529-L531 PolarHBondContact O-N 2.75Å; L531-M560 HydrophobicContact CB-CE 3.87Å; L531-M560 HydrophobicContact CB-SD 4.49Å; L531-M560 HydrophobicContact CD1-CE 3.74Å; L531-M560 HydrophobicContact CG-CE 4.42Å; L531-A564 HydrophobicContact CD1-CB 4.06Å; L531-F595 HydrophobicContact CD1-CE2 4.28Å; L531-F595 HydrophobicContact CD1-CZ 4.13Å; L531-F595 HydrophobicContact CD2-CZ 4.45Å
532	A	93.9	Very high	90.8	Very high	14 Å²	14	27 Å²	27	12%	0.116	15%	0.147	C	C	.	.	H	α-helix	trans	-101.4	-27.1	-173.9	0	0	0	0	0	113.1	Y528 E529 Q534 P557	Y528-A532 HydrophobicContact CD1-CB 4Å; Y528-A532 HydrophobicContact CE1-CB 3.58Å; Y528-A532 HydrophobicContact CE2-CB 4.14Å; Y528-A532 HydrophobicContact CG-CB 4.46Å; Y528-A532 VanDerWaalsContact O-CB 3.24Å; Y528-A532 WeakPolarHBondContact O-CB 3.22Å; Y528-A532 PolarHBondContact O-N 3.32Å; E529-A532 PolarHBondContact O-N 2.97Å; A532-Q534 VanDerWaalsContact C-N 3.3Å; A532-Q534 HydrophobicContact CB-CG 4.18Å; A532-P557 HydrophobicContact CB-CG 4.34Å
533	G	88.2	Confident	89.7	Confident	14 Å²	14	30.7 Å²	30.7	14%	0.144	17%	0.166	C	C	.	.	S	Bend	trans	77.8	11.6	-174.9	0	0	0	0	0	114.5	G432 E529	G432-G533 WeakPolarHBondContact O-CA 3.23Å; E529-G533 VanDerWaalsContact O-CA 3.29Å; E529-G533 WeakPolarHBondContact O-CA 3.37Å; E529-G533 PolarHBondContact O-N 3.32Å
534	Q	88	Confident	89	Confident	102 Å²	102	34.7 Å²	34.7	48%	0.477	18%	0.184	S	C	.	.	S	Bend	trans	-151.9	155.6	-177	64	-175.6	-0.2	0	0	109.3	Y528 A532	Y528-Q534 WeakPolarHBondContact CD1-O 3.18Å; Y528-Q534 HydrophobicContact CE1-CG 4.43Å; Y528-Q534 WeakPolarHBondContact CE1-O 3.46Å; A532-Q534 VanDerWaalsContact C-N 3.3Å; A532-Q534 HydrophobicContact CB-CG 4.18Å
535	P	91.4	Very high	88.4	Confident	28 Å²	28	34.8 Å²	34.8	18%	0.182	19%	0.185	C	C	.	.			trans	-66.4	153	177.7	28.5	-35.8	0	0	0	111.9	F537	P535-F537 VanDerWaalsContact C-N 3.33Å; P535-F537 WeakPolarHBondContact CB-O 3.37Å
536	P	91.8	Very high	87.9	Confident	15 Å²	15	36.2 Å²	36.2	10%	0.097	19%	0.191	C	C	.	.	S	Bend	trans	-75.1	-22.8	179.5	26.4	-29.9	0	0	0	113.6	V525 Y528 V554 M572	V525-P536 HydrophobicContact CB-CG 4.27Å; V525-P536 HydrophobicContact CG1-CG 3.85Å; V525-P536 HydrophobicContact CG2-CG 4.07Å; Y528-P536 HydrophobicContact CD1-CB 3.57Å; Y528-P536 HydrophobicContact CD1-CG 3.99Å; Y528-P536 HydrophobicContact CD2-CB 4.38Å; Y528-P536 HydrophobicContact CE1-CB 3.77Å; Y528-P536 HydrophobicContact CG-CB 3.89Å; Y528-P536 HydrophobicContact CG-CG 4.39Å; P536-V554 HydrophobicContact CB-CG1 3.75Å; P536-V554 HydrophobicContact CB-CG2 4.06Å; P536-M572 HydrophobicContact CB-CE 4.44Å; P536-M572 HydrophobicContact CB-SD 3.84Å; P536-M572 HydrophobicContact CG-SD 3.84Å
537	F	93.1	Very high	87.4	Confident	6 Å²	6	41.1 Å²	41.1	3%	0.026	21%	0.214	C	C	.	.	S	Bend	trans	-127.3	150.3	177.7	-50.9	-77.8	0	0	0	108.4	W521 P535 L545 S548 I549 V554 M572	W521-F537 AromaticContact CH2-CE2 3.84Å; W521-F537 HydrophobicContact CH2-CE2 3.84Å; W521-F537 AromaticContact CH2-CZ 3.71Å; W521-F537 HydrophobicContact CH2-CZ 3.71Å; W521-F537 HydrophobicContact CZ2-CD2 4.37Å; W521-F537 AromaticContact CZ2-CE2 3.45Å; W521-F537 HydrophobicContact CZ2-CE2 3.45Å; W521-F537 VanDerWaalsContact CZ2-CE2 3.45Å; W521-F537 AromaticContact CZ2-CZ 3.82Å; W521-F537 HydrophobicContact CZ2-CZ 3.82Å; P535-F537 VanDerWaalsContact C-N 3.33Å; P535-F537 WeakPolarHBondContact CB-O 3.37Å; F537-L545 HydrophobicContact CB-CD1 4.04Å; F537-S548 WeakPolarHBondContact CD1-O 3.34Å; F537-I549 HydrophobicContact CB-CG1 3.82Å; F537-I549 HydrophobicContact CD1-CG1 4.36Å; F537-I549 HydrophobicContact CD2-CG1 3.7Å; F537-I549 HydrophobicContact CE2-CG1 4.4Å; F537-I549 HydrophobicContact CG-CB 4.42Å; F537-I549 HydrophobicContact CG-CG1 3.69Å; F537-V554 HydrophobicContact CE1-CG2 3.66Å; F537-V554 HydrophobicContact CE2-CG2 4.1Å; F537-V554 HydrophobicContact CZ-CG2 3.36Å; F537-M572 HydrophobicContact CE2-SD 4.41Å
538	D	84.4	Confident	87.1	Confident	119 Å²	119	41.5 Å²	41.5	64%	0.636	22%	0.217	S	C	*	.			trans	-144.6	157.2	-178.8	-165.9	11	0	0	0	108.9	S548	D538-S548 WeakPolarHBondContact O-CB 3.24Å; D538-S548 PolarHBondContact O-OG 2.99Å
539	G	76.3	Confident	86.8	Confident	14 Å²	14	41.3 Å²	41.3	14%	0.144	22%	0.216	C	C	.	.			trans	-172.3	148.4	-179.7	0	0	0	0	0	111.1	D541	G539-D541 VanDerWaalsContact C-N 3.28Å; G539-D541 PolarHBondContact O-N 3.39Å
540	E	70.3	Confident	86.6	Confident	129 Å²	129	44.4 Å²	44.4	60%	0.603	23%	0.231	S	C	*	.	S	Bend	trans	-73.9	-24.5	-179.2	-61.1	-170.5	-178.2	0	0	112.5	E544	E540-E544 WeakPolarHBondContact CB-OE2 3.49Å; E540-E544 PolarHBondContact N-OE2 3.43Å
541	D	72	Confident	86.3	Confident	62 Å²	62	50.1 Å²	50.1	33%	0.332	26%	0.258	S	S	.	.	S	Bend	trans	-138.2	174.1	171.9	68.6	39.7	0	0	0	111.9	G539 D543 E544 L545	G539-D541 VanDerWaalsContact C-N 3.28Å; G539-D541 PolarHBondContact O-N 3.39Å; D541-D543 VanDerWaalsContact C-N 3.31Å; D541-D543 PolarHBondContact O-N 3.35Å; D541-D543 WeakPolarHBondContact OD1-CA 3.43Å; D541-D543 WeakPolarHBondContact OD1-CB 3.4Å; D541-D543 PolarHBondContact OD1-N 3.17Å; D541-E544 PolarHBondContact O-N 2.87Å; D541-E544 PolarHBondContact OD1-N 2.87Å; D541-L545 WeakPolarHBondContact O-CB 3.2Å; D541-L545 PolarHBondContact O-N 2.91Å
542	E	75.9	Confident	86	Confident	36 Å²	36	54.7 Å²	54.7	17%	0.168	28%	0.279	C	S	.	.	H	α-helix	trans	-60.7	-37.2	-179.3	-67.2	-179.7	155	0	0	113	L545 F546	E542-L545 PolarHBondContact O-N 2.85Å; E542-F546 HydrophobicContact CB-CE2 4.14Å; E542-F546 HydrophobicContact CB-CZ 4.28Å; E542-F546 VanDerWaalsContact O-CB 3.25Å; E542-F546 WeakPolarHBondContact O-CB 3.46Å; E542-F546 VanDerWaalsContact O-CD2 3.24Å; E542-F546 WeakPolarHBondContact O-CD2 3.34Å; E542-F546 WeakPolarHBondContact O-CG 3.36Å; E542-F546 PolarHBondContact O-N 3.36Å
543	D	75.3	Confident	85.9	Confident	85 Å²	85	61.1 Å²	61.1	46%	0.455	31%	0.311	S	S	.	.	H	α-helix	trans	-68.6	-40.6	-178.3	-72.5	-37	0	0	0	109.3	K43 D541 Q547	K43-D543 IonicContact NZ-OD1 3.35Å; K43-D543 PolarHBondContact NZ-OD1 3.48Å; K43-D543 IonicContact NZ-OD2 2.7Å; K43-D543 PolarHBondContact NZ-OD2 2.96Å; D541-D543 VanDerWaalsContact C-N 3.31Å; D541-D543 PolarHBondContact O-N 3.35Å; D541-D543 WeakPolarHBondContact OD1-CA 3.43Å; D541-D543 WeakPolarHBondContact OD1-CB 3.4Å; D541-D543 PolarHBondContact OD1-N 3.17Å; D543-Q547 WeakPolarHBondContact O-CB 3.38Å; D543-Q547 PolarHBondContact O-N 3.27Å
544	E	84.1	Confident	86.2	Confident	85 Å²	85	61.4 Å²	61.4	40%	0.397	31%	0.31	S	S	.	.	H	α-helix	trans	-66.6	-43.4	173.5	-70.7	-172.6	178.3	0	0	112.7	E540 D541 Q547 S548	E540-E544 WeakPolarHBondContact CB-OE2 3.49Å; E540-E544 PolarHBondContact N-OE2 3.43Å; D541-E544 PolarHBondContact O-N 2.87Å; D541-E544 PolarHBondContact OD1-N 2.87Å; E544-Q547 PolarHBondContact O-N 2.62Å; E544-S548 VanDerWaalsContact O-CB 3.3Å; E544-S548 WeakPolarHBondContact O-CB 3.01Å; E544-S548 PolarHBondContact O-N 3.23Å
545	L	86.9	Confident	86.6	Confident	3 Å²	3	61 Å²	61	2%	0.016	32%	0.318	C	S	.	.	H	α-helix	trans	-61	-45.8	175.8	174.7	61.9	0	0	0	110.7	P501 F537 D541 E542 Q547 S548 I549	P501-L545 HydrophobicContact CB-CD2 3.88Å; F537-L545 HydrophobicContact CB-CD1 4.04Å; D541-L545 WeakPolarHBondContact O-CB 3.2Å; D541-L545 PolarHBondContact O-N 2.91Å; E542-L545 PolarHBondContact O-N 2.85Å; L545-Q547 VanDerWaalsContact C-N 3.35Å; L545-Q547 PolarHBondContact O-N 2.73Å; L545-S548 WeakPolarHBondContact O-CA 3.21Å; L545-S548 VanDerWaalsContact O-CB 3.24Å; L545-S548 WeakPolarHBondContact O-CB 3.14Å; L545-S548 PolarHBondContact O-N 3.4Å; L545-S548 VanDerWaalsContact O-N 3.12Å; L545-I549 HydrophobicContact CD1-CD1 4.28Å; L545-I549 HydrophobicContact CD1-CG1 4.47Å; L545-I549 HydrophobicContact CG-CD1 4.12Å; L545-I549 WeakPolarHBondContact O-CG1 3.49Å; L545-I549 PolarHBondContact O-N 2.76Å
546	F	86.6	Confident	86.8	Confident	29 Å²	29	62 Å²	62	13%	0.127	32%	0.319	C	S	.	.	H	α-helix	trans	-64.2	-39.9	177.1	-66.9	-15.7	0	0	0	111.8	F497 P501 I504 I509 E542 S548 I549 M550	F497-F546 HydrophobicContact CZ-CE2 4.06Å; F497-F546 HydrophobicContact CZ-CZ 4.12Å; P501-F546 HydrophobicContact CB-CE1 4.07Å; P501-F546 HydrophobicContact CB-CZ 4.48Å; I504-F546 HydrophobicContact CG2-CD1 4.07Å; I504-F546 HydrophobicContact CG2-CE1 3.77Å; I509-F546 HydrophobicContact CD1-CB 4.05Å; I509-F546 HydrophobicContact CD1-CD1 3.87Å; I509-F546 HydrophobicContact CD1-CG 4.13Å; I509-F546 HydrophobicContact CG1-CB 4.43Å; I509-F546 HydrophobicContact CG1-CD1 4.1Å; I509-F546 HydrophobicContact CG1-CG 4.2Å; I509-F546 HydrophobicContact CG2-CB 3.92Å; I509-F546 HydrophobicContact CG2-CG 4.28Å; E542-F546 HydrophobicContact CB-CE2 4.14Å; E542-F546 HydrophobicContact CB-CZ 4.28Å; E542-F546 VanDerWaalsContact O-CB 3.25Å; E542-F546 WeakPolarHBondContact O-CB 3.46Å; E542-F546 VanDerWaalsContact O-CD2 3.24Å; E542-F546 WeakPolarHBondContact O-CD2 3.34Å; E542-F546 WeakPolarHBondContact O-CG 3.36Å; E542-F546 PolarHBondContact O-N 3.36Å; F546-S548 VanDerWaalsContact C-N 3.3Å; F546-S548 PolarHBondContact O-N 2.91Å; F546-I549 HydrophobicContact CD1-CD1 4.34Å; F546-I549 PolarHBondContact O-N 3.13Å; F546-M550 WeakPolarHBondContact O-CB 3.2Å; F546-M550 WeakPolarHBondContact O-CG 3.45Å; F546-M550 PolarHBondContact O-N 2.85Å
547	Q	87.9	Confident	86.9	Confident	103 Å²	103	63 Å²	63	48%	0.481	33%	0.326	S	S	.	.	H	α-helix	trans	-61.3	-42.1	171.6	-173.1	177.7	-2.5	0	0	111.1	D543 E544 L545 I549 M550 E551	D543-Q547 WeakPolarHBondContact O-CB 3.38Å; D543-Q547 PolarHBondContact O-N 3.27Å; E544-Q547 PolarHBondContact O-N 2.62Å; L545-Q547 VanDerWaalsContact C-N 3.35Å; L545-Q547 PolarHBondContact O-N 2.73Å; Q547-I549 PolarHBondContact O-N 3.03Å; Q547-M550 PolarHBondContact O-N 3.05Å; Q547-M550 VanDerWaalsContact O-N 3.15Å; Q547-E551 HydrophobicContact CG-CG 4.23Å; Q547-E551 WeakPolarHBondContact CG-OE2 3.5Å; Q547-E551 PolarHBondContact NE2-OE2 2.9Å; Q547-E551 WeakPolarHBondContact O-CB 3.39Å; Q547-E551 PolarHBondContact O-N 3.43Å
548	S	92.6	Very high	86.9	Confident	9 Å²	9	73.1 Å²	73.1	6%	0.063	37%	0.37	C	S	.	.	H	α-helix	trans	-59.6	-46.7	177.8	-162.1	0	0	0	0	111.7	F537 D538 E544 L545 F546 M550 E551 H552	F537-S548 WeakPolarHBondContact CD1-O 3.34Å; D538-S548 WeakPolarHBondContact O-CB 3.24Å; D538-S548 PolarHBondContact O-OG 2.99Å; E544-S548 VanDerWaalsContact O-CB 3.3Å; E544-S548 WeakPolarHBondContact O-CB 3.01Å; E544-S548 PolarHBondContact O-N 3.23Å; L545-S548 WeakPolarHBondContact O-CA 3.21Å; L545-S548 VanDerWaalsContact O-CB 3.24Å; L545-S548 WeakPolarHBondContact O-CB 3.14Å; L545-S548 PolarHBondContact O-N 3.4Å; L545-S548 VanDerWaalsContact O-N 3.12Å; F546-S548 VanDerWaalsContact C-N 3.3Å; F546-S548 PolarHBondContact O-N 2.91Å; S548-M550 VanDerWaalsContact C-N 3.31Å; S548-M550 PolarHBondContact O-N 3.35Å; S548-E551 PolarHBondContact O-N 3.02Å; S548-H552 WeakPolarHBondContact CA-ND1 3.01Å; S548-H552 WeakPolarHBondContact O-CB 3.42Å; S548-H552 PolarHBondContact O-N 2.86Å; S548-H552 PolarHBondContact OG-ND1 3.46Å
549	I	92.8	Very high	87.3	Confident	0 Å²	0	71.3 Å²	71.3	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-58.8	-42.2	174.2	-70	165.9	0	0	0	111.4	I504 P506 I509 W521 F537 L545 F546 Q547 K574	I504-I549 HydrophobicContact CG2-CD1 4.01Å; P506-I549 HydrophobicContact CG-CG2 3.86Å; I509-I549 HydrophobicContact CD1-CB 3.82Å; I509-I549 HydrophobicContact CD1-CD1 3.97Å; I509-I549 HydrophobicContact CD1-CG2 3.51Å; W521-I549 HydrophobicContact CH2-CG2 4.29Å; W521-I549 HydrophobicContact CZ2-CG2 3.74Å; F537-I549 HydrophobicContact CB-CG1 3.82Å; F537-I549 HydrophobicContact CD1-CG1 4.36Å; F537-I549 HydrophobicContact CD2-CG1 3.7Å; F537-I549 HydrophobicContact CE2-CG1 4.4Å; F537-I549 HydrophobicContact CG-CB 4.42Å; F537-I549 HydrophobicContact CG-CG1 3.69Å; L545-I549 HydrophobicContact CD1-CD1 4.28Å; L545-I549 HydrophobicContact CD1-CG1 4.47Å; L545-I549 HydrophobicContact CG-CD1 4.12Å; L545-I549 WeakPolarHBondContact O-CG1 3.49Å; L545-I549 PolarHBondContact O-N 2.76Å; F546-I549 HydrophobicContact CD1-CD1 4.34Å; F546-I549 PolarHBondContact O-N 3.13Å; Q547-I549 PolarHBondContact O-N 3.03Å; I549-K574 WeakPolarHBondContact O-CE 3.44Å; I549-K574 PolarHBondContact O-NZ 2.94Å
550	M	91.1	Very high	88.3	Confident	67 Å²	67	71.6 Å²	71.6	33%	0.33	36%	0.364	S	S	.	.	H	α-helix	trans	-74.7	-37.6	-177.2	-70.2	-60.9	-62.1	0	0	113.1	P506 I509 S510 F546 Q547 S548 K574	P506-M550 HydrophobicContact CB-SD 3.59Å; P506-M550 VanDerWaalsContact CB-SD 3.59Å; P506-M550 VanDerWaalsContact O-SD 3.42Å; I509-M550 HydrophobicContact CB-SD 4.21Å; I509-M550 HydrophobicContact CD1-CG 4.44Å; I509-M550 HydrophobicContact CG2-CG 3.97Å; I509-M550 HydrophobicContact CG2-SD 4.23Å; S510-M550 WeakPolarHBondContact OG-CE 3.44Å; F546-M550 WeakPolarHBondContact O-CB 3.2Å; F546-M550 WeakPolarHBondContact O-CG 3.45Å; F546-M550 PolarHBondContact O-N 2.85Å; Q547-M550 PolarHBondContact O-N 3.05Å; Q547-M550 VanDerWaalsContact O-N 3.15Å; S548-M550 VanDerWaalsContact C-N 3.31Å; S548-M550 PolarHBondContact O-N 3.35Å; M550-K574 VanDerWaalsContact O-CD 3.31Å; M550-K574 WeakPolarHBondContact O-CD 3.36Å; M550-K574 WeakPolarHBondContact O-CE 3.48Å; M550-K574 PolarHBondContact O-NZ 2.83Å
551	E	91.3	Very high	89.6	Confident	120 Å²	120	66.8 Å²	66.8	56%	0.561	35%	0.345	S	S	*	.	H	α-helix	trans	-111.4	-43.4	-166.1	-63.4	-176.2	171	0	0	113.3	Q547 S548 K574	Q547-E551 HydrophobicContact CG-CG 4.23Å; Q547-E551 WeakPolarHBondContact CG-OE2 3.5Å; Q547-E551 PolarHBondContact NE2-OE2 2.9Å; Q547-E551 WeakPolarHBondContact O-CB 3.39Å; Q547-E551 PolarHBondContact O-N 3.43Å; S548-E551 PolarHBondContact O-N 3.02Å; E551-K574 PolarHBondContact O-NZ 2.89Å
552	H	91.9	Very high	90.8	Very high	108 Å²	108	72.7 Å²	72.7	50%	0.5	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-73.4	145.2	-173.5	-63	141.6	0	0	0	113	S548 K574	S548-H552 WeakPolarHBondContact CA-ND1 3.01Å; S548-H552 WeakPolarHBondContact O-CB 3.42Å; S548-H552 PolarHBondContact O-N 2.86Å; S548-H552 PolarHBondContact OG-ND1 3.46Å; H552-K574 WeakPolarHBondContact O-CE 3.36Å; H552-K574 PolarHBondContact O-NZ 3.02Å
553	N	92.2	Very high	91.9	Very high	149 Å²	149	73.3 Å²	73.3	80%	0.797	37%	0.37	S	S	*	.	P	Polyproline II helix	trans	-87.4	133.2	169.2	-69.3	-49.6	0	0	0	108.6	S555	N553-S555 PolarHBondContact O-N 3.29Å
554	V	94.8	Very high	93	Very high	21 Å²	21	69.2 Å²	69.2	13%	0.127	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-57.6	129.7	177.4	-177.4	0	0	0	0	110	Y528 P536 F537 Y556 M572	Y528-V554 HydrophobicContact CD2-CG1 3.94Å; Y528-V554 HydrophobicContact CE2-CG1 3.61Å; P536-V554 HydrophobicContact CB-CG1 3.75Å; P536-V554 HydrophobicContact CB-CG2 4.06Å; F537-V554 HydrophobicContact CE1-CG2 3.66Å; F537-V554 HydrophobicContact CE2-CG2 4.1Å; F537-V554 HydrophobicContact CZ-CG2 3.36Å; V554-Y556 HydrophobicContact CB-CE1 4.5Å; V554-Y556 HydrophobicContact CB-CE2 3.92Å; V554-Y556 HydrophobicContact CG1-CD1 4.47Å; V554-Y556 HydrophobicContact CG1-CE1 3.93Å; V554-Y556 HydrophobicContact CG1-CE2 4.09Å; V554-Y556 VanDerWaalsContact O-CD2 3.28Å; V554-Y556 WeakPolarHBondContact O-CD2 3.28Å; V554-Y556 WeakPolarHBondContact O-CE2 3.36Å; V554-M572 HydrophobicContact CG1-CE 4.07Å; V554-M572 HydrophobicContact CG2-CE 4.2Å; V554-M572 HydrophobicContact CG2-SD 4.06Å
555	S	95.1	Very high	93.7	Very high	92 Å²	92	66.4 Å²	66.4	64%	0.643	34%	0.337	S	S	*	.	P	Polyproline II helix	trans	-85.2	133.6	173.3	-174.9	0	0	0	0	109.7	Y528 N553	Y528-S555 WeakPolarHBondContact CE2-O 3.49Å; Y528-S555 PolarHBondContact OH-O 3.38Å; N553-S555 PolarHBondContact O-N 3.29Å
556	Y	96.3	Very high	94.2	Very high	50 Å²	50	69 Å²	69	20%	0.196	36%	0.356	C	S	.	.			trans	-112.7	118.3	-178.3	-63.1	-83.8	0	0	0	110.1	Y528 V554 M560 V565 C568 K569 M572	Y528-Y556 HydrophobicContact CD2-CD1 4.26Å; Y528-Y556 HydrophobicContact CD2-CE1 4.12Å; Y528-Y556 HydrophobicContact CE2-CD1 4.07Å; Y528-Y556 HydrophobicContact CE2-CE1 4.26Å; V554-Y556 HydrophobicContact CB-CE1 4.5Å; V554-Y556 HydrophobicContact CB-CE2 3.92Å; V554-Y556 HydrophobicContact CG1-CD1 4.47Å; V554-Y556 HydrophobicContact CG1-CE1 3.93Å; V554-Y556 HydrophobicContact CG1-CE2 4.09Å; V554-Y556 VanDerWaalsContact O-CD2 3.28Å; V554-Y556 WeakPolarHBondContact O-CD2 3.28Å; V554-Y556 WeakPolarHBondContact O-CE2 3.36Å; Y556-M560 HydrophobicContact CD1-CE 4.35Å; Y556-M560 HydrophobicContact CD1-SD 4.13Å; Y556-V565 HydrophobicContact CD1-CB 4.33Å; Y556-V565 HydrophobicContact CD1-CG1 3.98Å; Y556-V565 HydrophobicContact CD1-CG2 3.97Å; Y556-V565 HydrophobicContact CD2-CG1 4.07Å; Y556-V565 HydrophobicContact CE1-CG1 4.36Å; Y556-V565 HydrophobicContact CE2-CG1 4.45Å; Y556-V565 HydrophobicContact CG-CB 4.48Å; Y556-V565 HydrophobicContact CG-CG1 3.82Å; Y556-V565 HydrophobicContact CG-CG2 4.04Å; Y556-C568 HydrophobicContact CE1-CB 3.64Å; Y556-K569 HydrophobicContact CE1-CG 4.48Å; Y556-K569 HydrophobicContact CE2-CD 4.34Å; Y556-K569 HydrophobicContact CE2-CG 3.77Å; Y556-K569 WeakPolarHBondContact OH-CG 3.43Å; Y556-M572 HydrophobicContact CE1-CE 4.33Å
557	P	93.8	Very high	94.8	Very high	36 Å²	36	67.7 Å²	67.7	23%	0.234	35%	0.35	C	S	.	.			trans	-56.2	141	175.5	-26.7	34	0	0	0	112.3	A532 S559 M560	A532-P557 HydrophobicContact CB-CG 4.34Å; P557-S559 PolarHBondContact O-N 2.83Å; P557-M560 WeakPolarHBondContact O-CB 3.27Å; P557-M560 PolarHBondContact O-N 2.93Å
558	K	93.3	Very high	95.3	Very high	219 Å²	219	62.8 Å²	62.8	95%	0.952	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-18.5	176.4	-66.7	-176.7	-179.4	177.6	0	113.7	M560	K558-M560 VanDerWaalsContact C-N 3.3Å
559	S	92.6	Very high	95.6	Very high	81 Å²	81	68.1 Å²	68.1	57%	0.566	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-15.2	176.1	59.6	0	0	0	0	113.9	K433 P557	K433-S559 PolarHBondContact NZ-OG 2.88Å; P557-S559 PolarHBondContact O-N 2.83Å
560	M	96.9	Very high	95.9	Very high	19 Å²	19	69.1 Å²	69.1	9%	0.094	36%	0.359	C	S	.	.	S	Bend	trans	-78.2	139.3	177.1	-68.5	-176.8	69.3	0	0	110.9	Y528 L531 Y556 P557 K558 A564 V565	Y528-M560 HydrophobicContact CD2-SD 4.49Å; Y528-M560 HydrophobicContact CE2-SD 4.36Å; L531-M560 HydrophobicContact CB-CE 3.87Å; L531-M560 HydrophobicContact CB-SD 4.49Å; L531-M560 HydrophobicContact CD1-CE 3.74Å; L531-M560 HydrophobicContact CG-CE 4.42Å; Y556-M560 HydrophobicContact CD1-CE 4.35Å; Y556-M560 HydrophobicContact CD1-SD 4.13Å; P557-M560 WeakPolarHBondContact O-CB 3.27Å; P557-M560 PolarHBondContact O-N 2.93Å; K558-M560 VanDerWaalsContact C-N 3.3Å; M560-A564 HydrophobicContact CB-CB 4.4Å; M560-A564 HydrophobicContact CE-CB 3.92Å; M560-V565 HydrophobicContact CB-CG2 3.76Å; M560-V565 HydrophobicContact CE-CG2 4.42Å
561	S	98.1	Very high	96.2	Very high	29 Å²	29	65.9 Å²	65.9	20%	0.203	34%	0.343	C	S	.	.			trans	-66.5	163.9	175.2	74.7	0	0	0	0	112.1	E436 E563 A564 V565	E436-S561 WeakPolarHBondContact OE1-CB 3.48Å; E436-S561 PolarHBondContact OE1-OG 3.16Å; E436-S561 WeakPolarHBondContact OE2-CB 3.21Å; E436-S561 PolarHBondContact OE2-OG 3.06Å; S561-E563 VanDerWaalsContact C-N 3.25Å; S561-E563 PolarHBondContact O-N 2.84Å; S561-A564 PolarHBondContact O-N 3.24Å; S561-A564 VanDerWaalsContact OG-CB 3.24Å; S561-A564 WeakPolarHBondContact OG-CB 3.11Å; S561-A564 PolarHBondContact OG-N 3.22Å; S561-V565 WeakPolarHBondContact O-CG2 3.41Å; S561-V565 PolarHBondContact O-N 3.3Å
562	K	98.1	Very high	96.5	Very high	185 Å²	185	60.8 Å²	60.8	80%	0.804	32%	0.32	S	S	*	.	H	α-helix	trans	-62.9	-39	176.1	-68	-178.6	179.9	177.3	0	110.7	S566	K562-S566 VanDerWaalsContact O-CB 3.29Å; K562-S566 WeakPolarHBondContact O-CB 3.25Å; K562-S566 PolarHBondContact O-N 3.07Å
563	E	98.1	Very high	96.8	Very high	49 Å²	49	58 Å²	58	23%	0.229	31%	0.308	C	S	.	.	H	α-helix	trans	-64.9	-44.3	178	-63.7	91.2	150.2	0	0	111.6	S561 S566 I567 A594 R597	S561-E563 VanDerWaalsContact C-N 3.25Å; S561-E563 PolarHBondContact O-N 2.84Å; E563-S566 WeakPolarHBondContact O-CB 3.29Å; E563-S566 PolarHBondContact O-N 2.94Å; E563-I567 PolarHBondContact O-N 2.96Å; E563-I567 VanDerWaalsContact O-N 3.08Å; E563-A594 HydrophobicContact CG-CB 4.12Å; E563-R597 IonicContact OE1-CZ 3.96Å; E563-R597 IonicContact OE1-NH1 2.71Å; E563-R597 PolarHBondContact OE1-NH1 3.2Å; E563-R597 IonicContact OE1-NH2 2.68Å; E563-R597 PolarHBondContact OE1-NH2 3.32Å
564	A	98.5	Very high	97	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-61.2	-46.3	175	0	0	0	0	0	112.4	L531 M560 S561 S566 I567 C568 F595	L531-A564 HydrophobicContact CD1-CB 4.06Å; M560-A564 HydrophobicContact CB-CB 4.4Å; M560-A564 HydrophobicContact CE-CB 3.92Å; S561-A564 PolarHBondContact O-N 3.24Å; S561-A564 VanDerWaalsContact OG-CB 3.24Å; S561-A564 WeakPolarHBondContact OG-CB 3.11Å; S561-A564 PolarHBondContact OG-N 3.22Å; A564-S566 VanDerWaalsContact C-N 3.33Å; A564-S566 PolarHBondContact O-N 3.24Å; A564-I567 WeakPolarHBondContact O-CG2 3.27Å; A564-C568 WeakPolarHBondContact O-CB 3.48Å; A564-C568 PolarHBondContact O-N 2.84Å; A564-C568 PolarHBondContact O-SG 3.33Å; A564-C568 VanDerWaalsContact O-SG 3.42Å; A564-F595 HydrophobicContact CB-CD2 4.19Å; A564-F595 HydrophobicContact CB-CE2 3.85Å
565	V	98.6	Very high	97	Very high	26 Å²	26	57.8 Å²	57.8	16%	0.158	30%	0.3	C	S	.	.	H	α-helix	trans	-65.4	-38.5	176.4	174.4	0	0	0	0	111.3	Y556 M560 S561 K569	Y556-V565 HydrophobicContact CD1-CB 4.33Å; Y556-V565 HydrophobicContact CD1-CG1 3.98Å; Y556-V565 HydrophobicContact CD1-CG2 3.97Å; Y556-V565 HydrophobicContact CD2-CG1 4.07Å; Y556-V565 HydrophobicContact CE1-CG1 4.36Å; Y556-V565 HydrophobicContact CE2-CG1 4.45Å; Y556-V565 HydrophobicContact CG-CB 4.48Å; Y556-V565 HydrophobicContact CG-CG1 3.82Å; Y556-V565 HydrophobicContact CG-CG2 4.04Å; M560-V565 HydrophobicContact CB-CG2 3.76Å; M560-V565 HydrophobicContact CE-CG2 4.42Å; S561-V565 WeakPolarHBondContact O-CG2 3.41Å; S561-V565 PolarHBondContact O-N 3.3Å; V565-K569 HydrophobicContact CG1-CD 3.96Å; V565-K569 HydrophobicContact CG1-CG 4.31Å; V565-K569 WeakPolarHBondContact O-CB 3.37Å; V565-K569 VanDerWaalsContact O-CG 3.31Å; V565-K569 WeakPolarHBondContact O-CG 3.01Å; V565-K569 PolarHBondContact O-N 3.17Å
566	S	98.6	Very high	97	Very high	58 Å²	58	55.1 Å²	55.1	41%	0.406	28%	0.281	S	S	.	.	H	α-helix	trans	-60.3	-49.4	179	-176.5	0	0	0	0	111.8	K562 E563 A564 K569 G570 H593	K562-S566 VanDerWaalsContact O-CB 3.29Å; K562-S566 WeakPolarHBondContact O-CB 3.25Å; K562-S566 PolarHBondContact O-N 3.07Å; E563-S566 WeakPolarHBondContact O-CB 3.29Å; E563-S566 PolarHBondContact O-N 2.94Å; A564-S566 VanDerWaalsContact C-N 3.33Å; A564-S566 PolarHBondContact O-N 3.24Å; S566-K569 PolarHBondContact O-N 2.72Å; S566-G570 PolarHBondContact O-N 2.78Å; S566-H593 PolarHBondContact OG-NE2 3.12Å
567	I	98.8	Very high	96.9	Very high	1 Å²	1	57.4 Å²	57.4	1%	0.005	31%	0.31	C	S	.	.	H	α-helix	trans	-65.9	-44.8	-178.9	-169.3	165.5	0	0	0	111.6	L527 E563 A564 K569 G570 L571 L580 H593 F595 F596	L527-I567 HydrophobicContact CD2-CD1 4.09Å; L527-I567 HydrophobicContact CD2-CG1 4.2Å; L527-I567 HydrophobicContact CD2-CG2 3.68Å; E563-I567 PolarHBondContact O-N 2.96Å; E563-I567 VanDerWaalsContact O-N 3.08Å; A564-I567 WeakPolarHBondContact O-CG2 3.27Å; I567-K569 VanDerWaalsContact C-N 3.31Å; I567-K569 PolarHBondContact O-N 2.87Å; I567-G570 PolarHBondContact O-N 2.91Å; I567-G570 VanDerWaalsContact O-N 3.11Å; I567-L571 HydrophobicContact CD1-CD1 4.33Å; I567-L571 HydrophobicContact CG1-CD1 3.74Å; I567-L571 HydrophobicContact CG1-CG 4.27Å; I567-L571 WeakPolarHBondContact O-CG 3.28Å; I567-L571 PolarHBondContact O-N 3.06Å; I567-L580 HydrophobicContact CG1-CD2 4Å; I567-H593 VanDerWaalsContact CB-CE1 3.43Å; I567-H593 WeakPolarHBondContact CB-CE1 3.4Å; I567-H593 PolarHBondContact N-CE1 2.83Å; I567-F595 HydrophobicContact CB-CB 4.09Å; I567-F595 HydrophobicContact CB-CG 4.32Å; I567-F595 HydrophobicContact CD1-CB 3.98Å; I567-F595 HydrophobicContact CD1-CD1 3.75Å; I567-F595 HydrophobicContact CD1-CG 4.13Å; I567-F595 HydrophobicContact CG2-CB 3.96Å; I567-F595 HydrophobicContact CG2-CD1 3.98Å; I567-F595 HydrophobicContact CG2-CD2 3.89Å; I567-F595 HydrophobicContact CG2-CE1 4.43Å; I567-F595 HydrophobicContact CG2-CE2 4.36Å; I567-F595 HydrophobicContact CG2-CG 3.67Å; I567-F596 HydrophobicContact CD1-CD2 4.1Å; I567-F596 HydrophobicContact CD1-CE2 3.25Å; I567-F596 HydrophobicContact CD1-CZ 3.72Å
568	C	98.6	Very high	97	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-60.1	-40.9	177.8	-74.8	0	0	0	0	111.8	Y556 A564 G570 L571 M572	Y556-C568 HydrophobicContact CE1-CB 3.64Å; A564-C568 WeakPolarHBondContact O-CB 3.48Å; A564-C568 PolarHBondContact O-N 2.84Å; A564-C568 PolarHBondContact O-SG 3.33Å; A564-C568 VanDerWaalsContact O-SG 3.42Å; C568-G570 PolarHBondContact O-N 3.23Å; C568-L571 PolarHBondContact O-N 2.78Å; C568-M572 HydrophobicContact CB-CE 3.63Å; C568-M572 WeakPolarHBondContact O-CB 3.49Å; C568-M572 PolarHBondContact O-N 2.93Å
569	K	98.3	Very high	97.2	Very high	121 Å²	121	52.3 Å²	52.3	53%	0.526	28%	0.284	S	S	.	.	H	α-helix	trans	-64.2	-38.1	174.9	-77.8	-179.8	176.6	-179.3	0	113	Y556 V565 S566 I567 N573	Y556-K569 HydrophobicContact CE1-CG 4.48Å; Y556-K569 HydrophobicContact CE2-CD 4.34Å; Y556-K569 HydrophobicContact CE2-CG 3.77Å; Y556-K569 WeakPolarHBondContact OH-CG 3.43Å; V565-K569 HydrophobicContact CG1-CD 3.96Å; V565-K569 HydrophobicContact CG1-CG 4.31Å; V565-K569 WeakPolarHBondContact O-CB 3.37Å; V565-K569 VanDerWaalsContact O-CG 3.31Å; V565-K569 WeakPolarHBondContact O-CG 3.01Å; V565-K569 PolarHBondContact O-N 3.17Å; S566-K569 PolarHBondContact O-N 2.72Å; I567-K569 VanDerWaalsContact C-N 3.31Å; I567-K569 PolarHBondContact O-N 2.87Å; K569-N573 PolarHBondContact O-N 2.95Å
570	G	98.3	Very high	97.5	Very high	20 Å²	20	49.9 Å²	49.9	21%	0.206	26%	0.264	C	S	.	.	H	α-helix	trans	-65	-45.3	176.6	0	0	0	0	0	112.4	S566 I567 C568 R579 L580	S566-G570 PolarHBondContact O-N 2.78Å; I567-G570 PolarHBondContact O-N 2.91Å; I567-G570 VanDerWaalsContact O-N 3.11Å; C568-G570 PolarHBondContact O-N 3.23Å; G570-R579 WeakPolarHBondContact O-CA 3.27Å; G570-L580 PolarHBondContact O-N 2.93Å
571	L	98.6	Very high	97.4	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-75.4	-41.3	-178.2	-66.7	168.1	0	0	0	112.9	W520 Y523 L527 I567 C568 N573 R579 L580	W520-L571 HydrophobicContact CB-CD2 4.26Å; W520-L571 HydrophobicContact CE3-CD2 4.32Å; Y523-L571 HydrophobicContact CD1-CD1 3.52Å; Y523-L571 HydrophobicContact CD1-CD2 3.92Å; Y523-L571 HydrophobicContact CD1-CG 4.36Å; Y523-L571 HydrophobicContact CE1-CD1 3.73Å; Y523-L571 HydrophobicContact CE1-CD2 4.44Å; L527-L571 HydrophobicContact CD2-CD1 4.2Å; I567-L571 HydrophobicContact CD1-CD1 4.33Å; I567-L571 HydrophobicContact CG1-CD1 3.74Å; I567-L571 HydrophobicContact CG1-CG 4.27Å; I567-L571 WeakPolarHBondContact O-CG 3.28Å; I567-L571 PolarHBondContact O-N 3.06Å; C568-L571 PolarHBondContact O-N 2.78Å; L571-N573 PolarHBondContact O-N 3.23Å; L571-R579 WeakPolarHBondContact O-CD 3.38Å; L571-R579 WeakPolarHBondContact O-CG 3.41Å; L571-R579 PolarHBondContact O-NE 2.88Å; L571-L580 HydrophobicContact CD2-CB 4.11Å; L571-L580 HydrophobicContact CD2-CD2 4.23Å; L571-L580 HydrophobicContact CD2-CG 4.35Å; L571-L580 HydrophobicContact CG-CB 4.42Å; L571-L580 HydrophobicContact CG-CD2 4.21Å
572	M	98.3	Very high	97.2	Very high	13 Å²	13	49.1 Å²	49.1	6%	0.064	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	32.7	177.2	-62.7	-176	-76.3	0	0	112.4	W521 V525 Y528 P536 F537 V554 Y556 C568 K574	W521-M572 HydrophobicContact CE3-CB 4.41Å; W521-M572 HydrophobicContact CH2-CB 4.43Å; W521-M572 VanDerWaalsContact CZ3-C 3.49Å; W521-M572 HydrophobicContact CZ3-CB 4.11Å; W521-M572 WeakPolarHBondContact CZ3-O 3.4Å; V525-M572 HydrophobicContact CG2-CG 4.49Å; V525-M572 HydrophobicContact CG2-SD 4.2Å; Y528-M572 HydrophobicContact CD2-CE 4Å; Y528-M572 HydrophobicContact CG-CE 4.12Å; P536-M572 HydrophobicContact CB-CE 4.44Å; P536-M572 HydrophobicContact CB-SD 3.84Å; P536-M572 HydrophobicContact CG-SD 3.84Å; F537-M572 HydrophobicContact CE2-SD 4.41Å; V554-M572 HydrophobicContact CG1-CE 4.07Å; V554-M572 HydrophobicContact CG2-CE 4.2Å; V554-M572 HydrophobicContact CG2-SD 4.06Å; Y556-M572 HydrophobicContact CE1-CE 4.33Å; C568-M572 HydrophobicContact CB-CE 3.63Å; C568-M572 WeakPolarHBondContact O-CB 3.49Å; C568-M572 PolarHBondContact O-N 2.93Å; M572-K574 PolarHBondContact O-N 2.96Å
573	N	97.8	Very high	96.7	Very high	49 Å²	49	41.8 Å²	41.8	26%	0.262	24%	0.238	S	C	.	.			trans	-75	123.6	169.6	-165.3	-34.2	0	0	0	109.6	K569 L571 Q575 K578 R579	K569-N573 PolarHBondContact O-N 2.95Å; L571-N573 PolarHBondContact O-N 3.23Å; N573-Q575 PolarHBondContact O-N 2.9Å; N573-Q575 PolarHBondContact OD1-N 2.8Å; N573-K578 PolarHBondContact ND2-O 2.87Å; N573-R579 HydrophobicContact CB-CB 4.24Å; N573-R579 HydrophobicContact CB-CG 4.49Å; N573-R579 VanDerWaalsContact O-CZ 3.31Å; N573-R579 PolarHBondContact O-NE 3.25Å; N573-R579 PolarHBondContact O-NH2 3.14Å
574	K	96.2	Very high	96.2	Very high	59 Å²	59	43.5 Å²	43.5	26%	0.257	26%	0.261	S	S	.	.	S	Bend	trans	-65.7	-25	-178.4	-60.9	-177.5	-176.5	178.9	0	113	P506 W521 I549 M550 E551 H552 M572 P576	P506-K574 HydrophobicContact CG-CB 4.31Å; P506-K574 HydrophobicContact CG-CG 4.22Å; W521-K574 HydrophobicContact CH2-CG 4.36Å; W521-K574 HydrophobicContact CZ3-CG 4.26Å; I549-K574 WeakPolarHBondContact O-CE 3.44Å; I549-K574 PolarHBondContact O-NZ 2.94Å; M550-K574 VanDerWaalsContact O-CD 3.31Å; M550-K574 WeakPolarHBondContact O-CD 3.36Å; M550-K574 WeakPolarHBondContact O-CE 3.48Å; M550-K574 PolarHBondContact O-NZ 2.83Å; E551-K574 PolarHBondContact O-NZ 2.89Å; H552-K574 WeakPolarHBondContact O-CE 3.36Å; H552-K574 PolarHBondContact O-NZ 3.02Å; M572-K574 PolarHBondContact O-N 2.96Å; K574-P576 WeakPolarHBondContact O-CD 3.44Å
575	Q	95.4	Very high	95.9	Very high	106 Å²	106	47.8 Å²	47.8	50%	0.495	28%	0.281	S	S	.	.	S	Bend	trans	-88	110.7	174.5	-67.6	-178.1	-0.7	0	0	109.9	N573 A577 K578 R579	N573-Q575 PolarHBondContact O-N 2.9Å; N573-Q575 PolarHBondContact OD1-N 2.8Å; Q575-A577 VanDerWaalsContact C-N 3.26Å; Q575-A577 PolarHBondContact O-N 3.25Å; Q575-K578 HydrophobicContact CB-CB 4.45Å; Q575-K578 PolarHBondContact O-N 3.22Å; Q575-R579 PolarHBondContact O-N 3.45Å
576	P	95.3	Very high	95.6	Very high	37 Å²	37	46.7 Å²	46.7	24%	0.24	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-58.4	-35.5	-175.5	-25.3	35.3	0	0	0	113.6	Q507 K574 K578 R579 C582	Q507-P576 HydrophobicContact CB-CG 4.15Å; Q507-P576 HydrophobicContact CG-CG 4.13Å; K574-P576 WeakPolarHBondContact O-CD 3.44Å; P576-K578 PolarHBondContact O-N 3.2Å; P576-R579 VanDerWaalsContact O-CB 3.31Å; P576-R579 WeakPolarHBondContact O-CB 3.33Å; P576-R579 PolarHBondContact O-N 2.92Å; P576-C582 VanDerWaalsContact O-CB 3.25Å; P576-C582 WeakPolarHBondContact O-CB 3.44Å
577	A	93.5	Very high	95.5	Very high	98 Å²	98	47.8 Å²	47.8	81%	0.81	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-67.6	-19.3	179.9	0	0	0	0	0	114.4	Q575	Q575-A577 VanDerWaalsContact C-N 3.26Å; Q575-A577 PolarHBondContact O-N 3.25Å
578	K	95.7	Very high	95.4	Very high	143 Å²	143	54 Å²	54	62%	0.622	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-108.7	6.2	176.7	-64	-177	-175.4	156.8	0	112.4	N573 Q575 P576	N573-K578 PolarHBondContact ND2-O 2.87Å; Q575-K578 HydrophobicContact CB-CB 4.45Å; Q575-K578 PolarHBondContact O-N 3.22Å; P576-K578 PolarHBondContact O-N 3.2Å
579	R	97.8	Very high	95.3	Very high	5 Å²	5	57.5 Å²	57.5	2%	0.019	32%	0.316	C	S	.	.	S	Bend	trans	-79.1	135	-179.4	-172.3	178.6	-62.8	142.9	3	109.3	S517 G570 L571 N573 Q575 P576 G581 C582	S517-R579 PolarHBondContact O-NH1 3.06Å; G570-R579 WeakPolarHBondContact O-CA 3.27Å; L571-R579 WeakPolarHBondContact O-CD 3.38Å; L571-R579 WeakPolarHBondContact O-CG 3.41Å; L571-R579 PolarHBondContact O-NE 2.88Å; N573-R579 HydrophobicContact CB-CB 4.24Å; N573-R579 HydrophobicContact CB-CG 4.49Å; N573-R579 VanDerWaalsContact O-CZ 3.31Å; N573-R579 PolarHBondContact O-NE 3.25Å; N573-R579 PolarHBondContact O-NH2 3.14Å; Q575-R579 PolarHBondContact O-N 3.45Å; P576-R579 VanDerWaalsContact O-CB 3.31Å; P576-R579 WeakPolarHBondContact O-CB 3.33Å; P576-R579 PolarHBondContact O-N 2.92Å; R579-G581 PolarHBondContact O-N 2.79Å; R579-C582 HydrophobicContact CB-CB 4.39Å; R579-C582 VanDerWaalsContact O-CB 3.32Å; R579-C582 WeakPolarHBondContact O-CB 3.45Å; R579-C582 PolarHBondContact O-N 3.37Å; R579-C582 VanDerWaalsContact O-N 3.14Å
580	L	97.9	Very high	95.3	Very high	29 Å²	29	51.8 Å²	51.8	15%	0.152	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	138.3	174.2	-175.3	67	0	0	0	109.6	I567 G570 L571 C582 D589 I590	I567-L580 HydrophobicContact CG1-CD2 4Å; G570-L580 PolarHBondContact O-N 2.93Å; L571-L580 HydrophobicContact CD2-CB 4.11Å; L571-L580 HydrophobicContact CD2-CD2 4.23Å; L571-L580 HydrophobicContact CD2-CG 4.35Å; L571-L580 HydrophobicContact CG-CB 4.42Å; L571-L580 HydrophobicContact CG-CD2 4.21Å; L580-C582 VanDerWaalsContact C-N 3.32Å; L580-C582 PolarHBondContact O-N 3.45Å; L580-D589 HydrophobicContact CD1-CB 3.78Å; L580-I590 HydrophobicContact CD2-CG1 4.28Å; L580-I590 HydrophobicContact CG-CG1 3.93Å
581	G	95	Very high	95.3	Very high	3 Å²	3	53.2 Å²	53.2	3%	0.031	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.3	-7.2	-175.8	0	0	0	0	0	115.6	W520 R579	W520-G581 PolarHBondContact NE1-O 3.02Å; W520-G581 VanDerWaalsContact NE1-O 3.14Å; R579-G581 PolarHBondContact O-N 2.79Å
582	C	94.1	Very high	95.3	Very high	29 Å²	29	60.1 Å²	60.1	20%	0.196	32%	0.322	C	S	.	.			trans	-100.6	-9.1	-176.8	-60.2	0	0	0	0	114.5	S517 P576 R579 L580	S517-C582 VanDerWaalsContact CA-SG 3.55Å; S517-C582 WeakPolarHBondContact CB-SG 3.44Å; P576-C582 VanDerWaalsContact O-CB 3.25Å; P576-C582 WeakPolarHBondContact O-CB 3.44Å; R579-C582 HydrophobicContact CB-CB 4.39Å; R579-C582 VanDerWaalsContact O-CB 3.32Å; R579-C582 WeakPolarHBondContact O-CB 3.45Å; R579-C582 PolarHBondContact O-N 3.37Å; R579-C582 VanDerWaalsContact O-N 3.14Å; L580-C582 VanDerWaalsContact C-N 3.32Å; L580-C582 PolarHBondContact O-N 3.45Å
583	G	87.7	Confident	95.3	Very high	32 Å²	32	60.9 Å²	60.9	33%	0.33	33%	0.326	S	S	.	.	S	Bend	trans	-72.8	174.2	174	0	0	0	0	0	112.9	E585 G586	G583-E585 PolarHBondContact O-N 3.36Å; G583-G586 PolarHBondContact O-N 3.3Å
584	A	87.4	Confident	95.3	Very high	84 Å²	84	60.9 Å²	60.9	69%	0.694	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-38.1	176	0	0	0	0	0	111.9	G586	A584-G586 VanDerWaalsContact C-N 3.32Å; A584-G586 PolarHBondContact O-N 3.4Å
585	E	92.3	Very high	95.5	Very high	90 Å²	90	58.6 Å²	58.6	42%	0.421	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	27.1	176.3	-57.3	-65	136	0	0	112.1	G583 E587 R588 D589	G583-E585 PolarHBondContact O-N 3.36Å; E585-E587 VanDerWaalsContact C-N 3.26Å; E585-E587 PolarHBondContact O-N 3.07Å; E585-E587 VanDerWaalsContact O-N 3.12Å; E585-R588 HydrophobicContact CB-CB 4.35Å; E585-R588 WeakPolarHBondContact O-CA 3.31Å; E585-R588 WeakPolarHBondContact O-CB 3.43Å; E585-R588 PolarHBondContact O-N 2.83Å; E585-R588 IonicContact OE2-CZ 3.48Å; E585-R588 IonicContact OE2-NE 3Å; E585-R588 IonicContact OE2-NH1 3.83Å; E585-R588 PolarHBondContact OE2-NH1 3.43Å; E585-R588 IonicContact OE2-NH2 3.33Å; E585-R588 PolarHBondContact OE2-NH2 2.9Å; E585-D589 PolarHBondContact O-N 3.42Å
586	G	92.7	Very high	95.6	Very high	4 Å²	4	53.6 Å²	53.6	4%	0.041	30%	0.299	C	S	.	.	H	α-helix	trans	-55.3	-35.9	-169.1	0	0	0	0	0	114.9	G583 A584 I590	G583-G586 PolarHBondContact O-N 3.3Å; A584-G586 VanDerWaalsContact C-N 3.32Å; A584-G586 PolarHBondContact O-N 3.4Å; G586-I590 WeakPolarHBondContact O-CG1 3.18Å; G586-I590 PolarHBondContact O-N 3.28Å
587	E	95.6	Very high	95.7	Very high	80 Å²	80	59.5 Å²	59.5	37%	0.374	32%	0.317	S	S	.	.	H	α-helix	trans	-66.1	-46.8	174	175.6	168.8	174.1	0	0	112.1	F451 E585 D589 I590 R591	F451-E587 HydrophobicContact CD1-CB 3.97Å; F451-E587 HydrophobicContact CD1-CG 3.7Å; F451-E587 HydrophobicContact CD2-CG 4.03Å; F451-E587 HydrophobicContact CE1-CB 3.88Å; F451-E587 HydrophobicContact CE1-CG 3.7Å; F451-E587 HydrophobicContact CE2-CG 4.04Å; F451-E587 HydrophobicContact CG-CG 3.9Å; F451-E587 HydrophobicContact CZ-CB 4.45Å; F451-E587 HydrophobicContact CZ-CG 3.88Å; E585-E587 VanDerWaalsContact C-N 3.26Å; E585-E587 PolarHBondContact O-N 3.07Å; E585-E587 VanDerWaalsContact O-N 3.12Å; E587-D589 VanDerWaalsContact C-N 3.33Å; E587-D589 PolarHBondContact O-N 3.04Å; E587-I590 PolarHBondContact O-N 2.94Å; E587-R591 HydrophobicContact CG-CG 4.38Å; E587-R591 WeakPolarHBondContact O-CG 3.46Å; E587-R591 PolarHBondContact O-N 3.14Å; E587-R591 IonicContact OE1-CZ 3.73Å; E587-R591 IonicContact OE1-NE 3.36Å; E587-R591 PolarHBondContact OE1-NE 3.33Å; E587-R591 IonicContact OE1-NH2 3.63Å; E587-R591 PolarHBondContact OE1-NH2 2.73Å
588	R	97.1	Very high	95.7	Very high	132 Å²	132	64.7 Å²	64.7	50%	0.498	32%	0.315	S	S	.	.	H	α-helix	trans	-60.4	-45.3	176.1	-174.1	-174.9	-64.1	141.4	16.3	110.7	E585 I590 R591 E592	E585-R588 HydrophobicContact CB-CB 4.35Å; E585-R588 WeakPolarHBondContact O-CA 3.31Å; E585-R588 WeakPolarHBondContact O-CB 3.43Å; E585-R588 PolarHBondContact O-N 2.83Å; E585-R588 IonicContact OE2-CZ 3.48Å; E585-R588 IonicContact OE2-NE 3Å; E585-R588 IonicContact OE2-NH1 3.83Å; E585-R588 PolarHBondContact OE2-NH1 3.43Å; E585-R588 IonicContact OE2-NH2 3.33Å; E585-R588 PolarHBondContact OE2-NH2 2.9Å; R588-I590 PolarHBondContact O-N 3.14Å; R588-R591 PolarHBondContact O-N 2.88Å; R588-R591 VanDerWaalsContact O-N 3.16Å; R588-E592 WeakPolarHBondContact CD-OE1 3.4Å; R588-E592 HydrophobicContact CG-CG 3.96Å; R588-E592 VanDerWaalsContact CG-OE1 3.23Å; R588-E592 WeakPolarHBondContact CG-OE1 3.43Å; R588-E592 WeakPolarHBondContact O-CB 3.45Å; R588-E592 WeakPolarHBondContact O-CG 3.38Å; R588-E592 PolarHBondContact O-N 3.42Å
589	D	97.3	Very high	95.8	Very high	73 Å²	73	59.1 Å²	59.1	39%	0.39	29%	0.292	S	S	.	.	H	α-helix	trans	-57.3	-37.5	179.9	-67.2	-21.7	0	0	0	112	L580 E585 E587 H593	L580-D589 HydrophobicContact CD1-CB 3.78Å; E585-D589 PolarHBondContact O-N 3.42Å; E587-D589 VanDerWaalsContact C-N 3.33Å; E587-D589 PolarHBondContact O-N 3.04Å; D589-H593 PolarHBondContact O-N 2.81Å
590	I	98.2	Very high	95.8	Very high	1 Å²	1	62.4 Å²	62.4	1%	0.005	31%	0.31	C	S	.	.	H	α-helix	trans	-73.7	-50.1	175.3	-69.5	171.7	0	0	0	110.4	F451 W520 L580 G586 E587 R588 E592 H593 F596	F451-I590 HydrophobicContact CE1-CB 4.38Å; F451-I590 HydrophobicContact CE1-CD1 4.15Å; F451-I590 HydrophobicContact CE1-CG2 4.48Å; F451-I590 HydrophobicContact CZ-CB 3.98Å; F451-I590 HydrophobicContact CZ-CD1 4.48Å; F451-I590 HydrophobicContact CZ-CG2 3.79Å; W520-I590 HydrophobicContact CD2-CD1 3.58Å; W520-I590 HydrophobicContact CE3-CD1 3.45Å; W520-I590 VanDerWaalsContact CE3-CD1 3.45Å; W520-I590 HydrophobicContact CG-CD1 4.47Å; W520-I590 HydrophobicContact CH2-CD1 3.48Å; W520-I590 VanDerWaalsContact CH2-CD1 3.48Å; W520-I590 HydrophobicContact CZ2-CD1 3.56Å; W520-I590 HydrophobicContact CZ3-CD1 3.42Å; W520-I590 VanDerWaalsContact CZ3-CD1 3.42Å; L580-I590 HydrophobicContact CD2-CG1 4.28Å; L580-I590 HydrophobicContact CG-CG1 3.93Å; G586-I590 WeakPolarHBondContact O-CG1 3.18Å; G586-I590 PolarHBondContact O-N 3.28Å; E587-I590 PolarHBondContact O-N 2.94Å; R588-I590 PolarHBondContact O-N 3.14Å; I590-E592 VanDerWaalsContact C-N 3.3Å; I590-E592 PolarHBondContact O-N 3.08Å; I590-H593 WeakPolarHBondContact O-CB 3.4Å; I590-H593 PolarHBondContact O-N 2.83Å; I590-F596 HydrophobicContact CG2-CE2 3.94Å; I590-F596 WeakPolarHBondContact O-CD2 3.23Å
591	R	98.3	Very high	95.8	Very high	51 Å²	51	62.5 Å²	62.5	19%	0.192	31%	0.308	C	S	.	.	H	α-helix	trans	-59.8	-38.7	-176.5	-72.2	-179.8	-178.4	-99.8	7.7	113	F451 E587 R588 W601 E605	F451-R591 HydrophobicContact CE2-CG 3.92Å; F451-R591 HydrophobicContact CZ-CG 4.16Å; E587-R591 HydrophobicContact CG-CG 4.38Å; E587-R591 WeakPolarHBondContact O-CG 3.46Å; E587-R591 PolarHBondContact O-N 3.14Å; E587-R591 IonicContact OE1-CZ 3.73Å; E587-R591 IonicContact OE1-NE 3.36Å; E587-R591 PolarHBondContact OE1-NE 3.33Å; E587-R591 IonicContact OE1-NH2 3.63Å; E587-R591 PolarHBondContact OE1-NH2 2.73Å; R588-R591 PolarHBondContact O-N 2.88Å; R588-R591 VanDerWaalsContact O-N 3.16Å; R591-W601 HydrophobicContact CB-CD2 4.37Å; R591-W601 HydrophobicContact CB-CZ2 4.13Å; R591-W601 HydrophobicContact CG-CD2 3.9Å; R591-W601 HydrophobicContact CG-CE3 4.29Å; R591-W601 HydrophobicContact CG-CG 4.33Å; R591-W601 HydrophobicContact CG-CH2 4.38Å; R591-W601 HydrophobicContact CG-CZ2 4.01Å; R591-W601 VanDerWaalsContact NH1-CB 3.3Å; R591-W601 PolarHBondContact O-NE1 2.85Å; R591-E605 IonicContact CZ-OE1 2.86Å; R591-E605 VanDerWaalsContact CZ-OE1 3.24Å; R591-E605 IonicContact NH1-OE1 3.62Å; R591-E605 PolarHBondContact NH1-OE1 2.93Å; R591-E605 IonicContact NH2-OE1 2.88Å; R591-E605 PolarHBondContact NH2-OE1 3.04Å
592	E	97.9	Very high	95.9	Very high	144 Å²	144	69.3 Å²	69.3	67%	0.673	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-6.4	-178.5	-65.5	-177.5	178.8	0	0	113.5	R588 I590 A594	R588-E592 WeakPolarHBondContact CD-OE1 3.4Å; R588-E592 HydrophobicContact CG-CG 3.96Å; R588-E592 VanDerWaalsContact CG-OE1 3.23Å; R588-E592 WeakPolarHBondContact CG-OE1 3.43Å; R588-E592 WeakPolarHBondContact O-CB 3.45Å; R588-E592 WeakPolarHBondContact O-CG 3.38Å; R588-E592 PolarHBondContact O-N 3.42Å; I590-E592 VanDerWaalsContact C-N 3.3Å; I590-E592 PolarHBondContact O-N 3.08Å; E592-A594 PolarHBondContact O-N 3.43Å
593	H	98.6	Very high	96.1	Very high	29 Å²	29	73.3 Å²	73.3	13%	0.134	35%	0.35	C	S	.	.	S	Bend	trans	-59.1	137.1	179.5	-170.8	-84.8	0	0	0	110.6	S566 I567 D589 I590 F595 F596	S566-H593 PolarHBondContact OG-NE2 3.12Å; I567-H593 VanDerWaalsContact CB-CE1 3.43Å; I567-H593 WeakPolarHBondContact CB-CE1 3.4Å; I567-H593 PolarHBondContact N-CE1 2.83Å; D589-H593 PolarHBondContact O-N 2.81Å; I590-H593 WeakPolarHBondContact O-CB 3.4Å; I590-H593 PolarHBondContact O-N 2.83Å; H593-F595 WeakPolarHBondContact ND1-CB 3.22Å; H593-F595 PolarHBondContact ND1-N 2.83Å; H593-F595 PolarHBondContact O-N 2.85Å; H593-F596 HydrophobicContact CB-CD2 4.46Å; H593-F596 PolarHBondContact O-N 2.77Å
594	A	98.4	Very high	96.5	Very high	50 Å²	50	71.8 Å²	71.8	41%	0.413	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-55.8	-20.6	-173.5	0	0	0	0	0	115	E563 E592 F596 R597	E563-A594 HydrophobicContact CG-CB 4.12Å; E592-A594 PolarHBondContact O-N 3.43Å; A594-F596 VanDerWaalsContact C-N 3.31Å; A594-R597 WeakPolarHBondContact O-CB 3.48Å; A594-R597 VanDerWaalsContact O-CG 3.32Å; A594-R597 WeakPolarHBondContact O-CG 3.32Å; A594-R597 PolarHBondContact O-N 2.85Å
595	F	98.6	Very high	96.9	Very high	10 Å²	10	70.9 Å²	70.9	4%	0.044	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-61.6	-36	172.7	-172.9	-108.5	0	0	0	112.6	E436 V440 L527 L531 A564 I567 H593	E436-F595 HydrophobicContact CG-CE2 4.01Å; V440-F595 HydrophobicContact CB-CE1 4.17Å; V440-F595 HydrophobicContact CB-CZ 4.29Å; V440-F595 HydrophobicContact CG2-CD1 4.04Å; V440-F595 HydrophobicContact CG2-CD2 4.15Å; V440-F595 HydrophobicContact CG2-CE1 3.53Å; V440-F595 HydrophobicContact CG2-CE2 3.64Å; V440-F595 HydrophobicContact CG2-CG 4.33Å; V440-F595 HydrophobicContact CG2-CZ 3.3Å; L527-F595 HydrophobicContact CD1-CE1 3.86Å; L527-F595 HydrophobicContact CD1-CZ 3.84Å; L527-F595 HydrophobicContact CD2-CD1 4.48Å; L527-F595 HydrophobicContact CD2-CE1 3.99Å; L527-F595 HydrophobicContact CD2-CZ 4.39Å; L531-F595 HydrophobicContact CD1-CE2 4.28Å; L531-F595 HydrophobicContact CD1-CZ 4.13Å; L531-F595 HydrophobicContact CD2-CZ 4.45Å; A564-F595 HydrophobicContact CB-CD2 4.19Å; A564-F595 HydrophobicContact CB-CE2 3.85Å; I567-F595 HydrophobicContact CB-CB 4.09Å; I567-F595 HydrophobicContact CB-CG 4.32Å; I567-F595 HydrophobicContact CD1-CB 3.98Å; I567-F595 HydrophobicContact CD1-CD1 3.75Å; I567-F595 HydrophobicContact CD1-CG 4.13Å; I567-F595 HydrophobicContact CG2-CB 3.96Å; I567-F595 HydrophobicContact CG2-CD1 3.98Å; I567-F595 HydrophobicContact CG2-CD2 3.89Å; I567-F595 HydrophobicContact CG2-CE1 4.43Å; I567-F595 HydrophobicContact CG2-CE2 4.36Å; I567-F595 HydrophobicContact CG2-CG 3.67Å; H593-F595 WeakPolarHBondContact ND1-CB 3.22Å; H593-F595 PolarHBondContact ND1-N 2.83Å; H593-F595 PolarHBondContact O-N 2.85Å
596	F	98.6	Very high	97	Very high	2 Å²	2	71.4 Å²	71.4	1%	0.009	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-97.1	12.5	179.1	-58.4	-69.8	0	0	0	113.7	V440 A443 A444 Y523 I567 I590 H593 A594 R598 I599 W601	V440-F596 HydrophobicContact CG1-CD1 3.97Å; V440-F596 HydrophobicContact CG1-CE1 4.46Å; A443-F596 HydrophobicContact CB-CE1 4.06Å; A443-F596 HydrophobicContact CB-CZ 4.25Å; A444-F596 HydrophobicContact CB-CD1 4.04Å; A444-F596 HydrophobicContact CB-CE1 4.02Å; Y523-F596 VanDerWaalsContact OH-CZ 3.29Å; Y523-F596 WeakPolarHBondContact OH-CZ 3.5Å; I567-F596 HydrophobicContact CD1-CD2 4.1Å; I567-F596 HydrophobicContact CD1-CE2 3.25Å; I567-F596 HydrophobicContact CD1-CZ 3.72Å; I590-F596 HydrophobicContact CG2-CE2 3.94Å; I590-F596 WeakPolarHBondContact O-CD2 3.23Å; H593-F596 HydrophobicContact CB-CD2 4.46Å; H593-F596 PolarHBondContact O-N 2.77Å; A594-F596 VanDerWaalsContact C-N 3.31Å; F596-R598 PolarHBondContact O-N 2.74Å; F596-I599 HydrophobicContact CB-CB 4.35Å; F596-I599 HydrophobicContact CB-CG1 4.36Å; F596-I599 HydrophobicContact CD1-CG1 4.19Å; F596-I599 WeakPolarHBondContact O-CB 3.4Å; F596-I599 PolarHBondContact O-N 2.7Å; F596-W601 HydrophobicContact CB-CZ2 3.7Å; F596-W601 HydrophobicContact CD1-CH2 4.16Å; F596-W601 AromaticContact CD1-CZ2 3.98Å; F596-W601 HydrophobicContact CD1-CZ2 3.98Å; F596-W601 HydrophobicContact CD2-CH2 4.35Å; F596-W601 AromaticContact CD2-CZ2 3.88Å; F596-W601 HydrophobicContact CD2-CZ2 3.88Å; F596-W601 HydrophobicContact CE1-CH2 4.41Å; F596-W601 HydrophobicContact CE2-CZ2 4.49Å; F596-W601 HydrophobicContact CG-CH2 4.15Å; F596-W601 AromaticContact CG-CZ2 3.59Å; F596-W601 HydrophobicContact CG-CZ2 3.59Å
597	R	96.9	Very high	97	Very high	160 Å²	160	74.9 Å²	74.9	60%	0.604	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-16.4	-175.3	72.5	-178.1	172.9	-158.9	-12.7	116.1	E563 A594	E563-R597 IonicContact OE1-CZ 3.96Å; E563-R597 IonicContact OE1-NH1 2.71Å; E563-R597 PolarHBondContact OE1-NH1 3.2Å; E563-R597 IonicContact OE1-NH2 2.68Å; E563-R597 PolarHBondContact OE1-NH2 3.32Å; A594-R597 WeakPolarHBondContact O-CB 3.48Å; A594-R597 VanDerWaalsContact O-CG 3.32Å; A594-R597 WeakPolarHBondContact O-CG 3.32Å; A594-R597 PolarHBondContact O-N 2.85Å
598	R	94.6	Very high	97	Very high	207 Å²	207	75.8 Å²	75.8	78%	0.781	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.4	-4	-180	-61.9	-172.1	178.5	175.3	-0.3	113.2	F596	F596-R598 PolarHBondContact O-N 2.74Å
599	I	97.7	Very high	96.8	Very high	27 Å²	27	71.3 Å²	71.3	14%	0.138	32%	0.323	C	S	.	.			trans	-86.5	122.4	177.7	-63.3	-56.7	0	0	0	107.9	V440 A444 F596 W601 L604	V440-I599 HydrophobicContact CG1-CD1 3.95Å; V440-I599 HydrophobicContact CG1-CG1 3.72Å; A444-I599 HydrophobicContact CB-CG1 4.18Å; A444-I599 HydrophobicContact CB-CG2 4.1Å; F596-I599 HydrophobicContact CB-CB 4.35Å; F596-I599 HydrophobicContact CB-CG1 4.36Å; F596-I599 HydrophobicContact CD1-CG1 4.19Å; F596-I599 WeakPolarHBondContact O-CB 3.4Å; F596-I599 PolarHBondContact O-N 2.7Å; I599-W601 HydrophobicContact CG2-CD2 3.96Å; I599-W601 HydrophobicContact CG2-CE3 4.35Å; I599-W601 HydrophobicContact CG2-CG 4.18Å; I599-L604 HydrophobicContact CG2-CB 4.37Å; I599-L604 HydrophobicContact CG2-CD2 4Å
600	D	97.8	Very high	96.5	Very high	74 Å²	74	76.1 Å²	76.1	40%	0.396	34%	0.344	S	S	.	.			trans	-87.6	104.9	162.4	-175.5	-31.3	0	0	0	106.9	E602 R603 L604 I609	D600-E602 PolarHBondContact O-N 3.19Å; D600-E602 PolarHBondContact OD1-N 3.13Å; D600-R603 HydrophobicContact CB-CB 4.06Å; D600-R603 HydrophobicContact CB-CG 4.29Å; D600-R603 PolarHBondContact O-N 3.09Å; D600-R603 PolarHBondContact OD1-N 2.86Å; D600-R603 VanDerWaalsContact OD2-CD 3.24Å; D600-R603 WeakPolarHBondContact OD2-CD 3.2Å; D600-R603 WeakPolarHBondContact OD2-CG 3.26Å; D600-L604 WeakPolarHBondContact O-CB 3.42Å; D600-L604 PolarHBondContact O-N 3.08Å; D600-I609 HydrophobicContact CB-CD1 4.45Å; D600-I609 WeakPolarHBondContact O-CD1 3.24Å
601	W	97.8	Very high	96.4	Very high	30 Å²	30	77.1 Å²	77.1	11%	0.114	35%	0.35	C	S	.	.	H	α-helix	trans	-67.3	-35.9	-171.2	-70.5	95.9	0	0	0	113.2	A444 A447 V448 F451 R591 F596 I599 L604 E605	A444-W601 HydrophobicContact CB-CH2 3.83Å; A444-W601 HydrophobicContact CB-CZ3 3.84Å; A444-W601 WeakPolarHBondContact O-CZ3 3.42Å; A447-W601 HydrophobicContact CB-CH2 4.35Å; A447-W601 HydrophobicContact CB-CZ3 4.36Å; V448-W601 HydrophobicContact CG2-CE3 4.06Å; V448-W601 HydrophobicContact CG2-CZ3 4.1Å; F451-W601 HydrophobicContact CE2-CZ3 4.25Å; R591-W601 HydrophobicContact CB-CD2 4.37Å; R591-W601 HydrophobicContact CB-CZ2 4.13Å; R591-W601 HydrophobicContact CG-CD2 3.9Å; R591-W601 HydrophobicContact CG-CE3 4.29Å; R591-W601 HydrophobicContact CG-CG 4.33Å; R591-W601 HydrophobicContact CG-CH2 4.38Å; R591-W601 HydrophobicContact CG-CZ2 4.01Å; R591-W601 VanDerWaalsContact NH1-CB 3.3Å; R591-W601 PolarHBondContact O-NE1 2.85Å; F596-W601 HydrophobicContact CB-CZ2 3.7Å; F596-W601 HydrophobicContact CD1-CH2 4.16Å; F596-W601 AromaticContact CD1-CZ2 3.98Å; F596-W601 HydrophobicContact CD1-CZ2 3.98Å; F596-W601 HydrophobicContact CD2-CH2 4.35Å; F596-W601 AromaticContact CD2-CZ2 3.88Å; F596-W601 HydrophobicContact CD2-CZ2 3.88Å; F596-W601 HydrophobicContact CE1-CH2 4.41Å; F596-W601 HydrophobicContact CE2-CZ2 4.49Å; F596-W601 HydrophobicContact CG-CH2 4.15Å; F596-W601 AromaticContact CG-CZ2 3.59Å; F596-W601 HydrophobicContact CG-CZ2 3.59Å; I599-W601 HydrophobicContact CG2-CD2 3.96Å; I599-W601 HydrophobicContact CG2-CE3 4.35Å; I599-W601 HydrophobicContact CG2-CG 4.18Å; W601-L604 HydrophobicContact CE3-CD2 4.28Å; W601-L604 HydrophobicContact CZ3-CD2 4.44Å; W601-L604 WeakPolarHBondContact O-CB 3.46Å; W601-L604 PolarHBondContact O-N 3.33Å; W601-E605 WeakPolarHBondContact O-CB 3.04Å; W601-E605 VanDerWaalsContact O-CG 3.3Å; W601-E605 WeakPolarHBondContact O-CG 3.43Å; W601-E605 PolarHBondContact O-N 3.03Å
602	E	96.8	Very high	96.1	Very high	146 Å²	146	77.8 Å²	77.8	68%	0.682	36%	0.361	S	S	*	.	H	α-helix	trans	-66.3	-47.2	178.7	-177.3	176.9	-169	0	0	110	D600 L604 E605 N606	D600-E602 PolarHBondContact O-N 3.19Å; D600-E602 PolarHBondContact OD1-N 3.13Å; E602-L604 VanDerWaalsContact C-N 3.29Å; E602-L604 PolarHBondContact O-N 2.89Å; E602-E605 PolarHBondContact O-N 3.34Å; E602-N606 PolarHBondContact O-N 2.7Å; E602-N606 VanDerWaalsContact O-N 3.07Å; E602-N606 PolarHBondContact O-ND2 2.87Å
603	R	97.3	Very high	95.7	Very high	113 Å²	113	74.3 Å²	74.3	43%	0.426	34%	0.344	S	S	.	.	H	α-helix	trans	-65.1	-33.6	175.6	-65.2	-169.5	66	-151.8	-10.2	112.7	D600 R607 E608 I609	D600-R603 HydrophobicContact CB-CB 4.06Å; D600-R603 HydrophobicContact CB-CG 4.29Å; D600-R603 PolarHBondContact O-N 3.09Å; D600-R603 PolarHBondContact OD1-N 2.86Å; D600-R603 VanDerWaalsContact OD2-CD 3.24Å; D600-R603 WeakPolarHBondContact OD2-CD 3.2Å; D600-R603 WeakPolarHBondContact OD2-CG 3.26Å; R603-R607 PolarHBondContact O-N 2.97Å; R603-E608 HydrophobicContact CB-CB 4.14Å; R603-E608 WeakPolarHBondContact CG-OE2 3.16Å; R603-E608 IonicContact CZ-OE2 3.84Å; R603-E608 IonicContact NE-OE2 2.65Å; R603-E608 PolarHBondContact NE-OE2 2.85Å; R603-E608 PolarHBondContact NH2-O 3.34Å; R603-E608 WeakPolarHBondContact O-CB 3.45Å; R603-E608 PolarHBondContact O-N 3.33Å; R603-I609 HydrophobicContact CB-CD1 4.35Å; R603-I609 HydrophobicContact CB-CG1 4.05Å
604	L	96.9	Very high	95.3	Very high	0 Å²	0	78.6 Å²	78.6	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-63.9	-51.7	174.3	-172.3	75.4	0	0	0	110.5	F398 F441 A444 E445 V448 I599 D600 W601 E602 N606 R607 I609	F398-L604 HydrophobicContact CZ-CG 4.38Å; F398-L604 WeakPolarHBondContact CZ-O 3.47Å; F441-L604 HydrophobicContact CD2-CD1 4.04Å; F441-L604 HydrophobicContact CE2-CD1 3.72Å; F441-L604 HydrophobicContact CZ-CD1 4.34Å; A444-L604 HydrophobicContact CB-CD2 3.38Å; E445-L604 HydrophobicContact CG-CD1 3.83Å; E445-L604 HydrophobicContact CG-CD2 4.14Å; E445-L604 HydrophobicContact CG-CG 4.1Å; V448-L604 HydrophobicContact CG2-CD2 4.46Å; I599-L604 HydrophobicContact CG2-CB 4.37Å; I599-L604 HydrophobicContact CG2-CD2 4Å; D600-L604 WeakPolarHBondContact O-CB 3.42Å; D600-L604 PolarHBondContact O-N 3.08Å; W601-L604 HydrophobicContact CE3-CD2 4.28Å; W601-L604 HydrophobicContact CZ3-CD2 4.44Å; W601-L604 WeakPolarHBondContact O-CB 3.46Å; W601-L604 PolarHBondContact O-N 3.33Å; E602-L604 VanDerWaalsContact C-N 3.29Å; E602-L604 PolarHBondContact O-N 2.89Å; L604-N606 PolarHBondContact O-N 3.04Å; L604-R607 WeakPolarHBondContact O-CA 3.44Å; L604-R607 PolarHBondContact O-N 2.93Å; L604-I609 HydrophobicContact CB-CD1 3.89Å; L604-I609 HydrophobicContact CD1-CB 4.32Å; L604-I609 HydrophobicContact CD1-CD1 4.06Å
605	E	95.4	Very high	94.6	Very high	66 Å²	66	76.5 Å²	76.5	31%	0.308	35%	0.345	S	S	.	.	H	α-helix	trans	-58.4	-35.1	180	-73.8	175.6	-156.2	0	0	112.2	V448 R591 W601 E602 R607	V448-E605 HydrophobicContact CB-CG 4.45Å; V448-E605 HydrophobicContact CG1-CG 3.81Å; V448-E605 HydrophobicContact CG2-CG 3.72Å; R591-E605 IonicContact CZ-OE1 2.86Å; R591-E605 VanDerWaalsContact CZ-OE1 3.24Å; R591-E605 IonicContact NH1-OE1 3.62Å; R591-E605 PolarHBondContact NH1-OE1 2.93Å; R591-E605 IonicContact NH2-OE1 2.88Å; R591-E605 PolarHBondContact NH2-OE1 3.04Å; W601-E605 WeakPolarHBondContact O-CB 3.04Å; W601-E605 VanDerWaalsContact O-CG 3.3Å; W601-E605 WeakPolarHBondContact O-CG 3.43Å; W601-E605 PolarHBondContact O-N 3.03Å; E602-E605 PolarHBondContact O-N 3.34Å; E605-R607 VanDerWaalsContact C-N 3.26Å; E605-R607 PolarHBondContact O-N 3.07Å
606	N	93.8	Very high	93.6	Very high	100 Å²	100	84.7 Å²	84.7	54%	0.535	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	3.1	174.1	-66.5	-23.5	0	0	0	114.5	E602 L604 E608	E602-N606 PolarHBondContact O-N 2.7Å; E602-N606 VanDerWaalsContact O-N 3.07Å; E602-N606 PolarHBondContact O-ND2 2.87Å; L604-N606 PolarHBondContact O-N 3.04Å; N606-E608 HydrophobicContact CB-CG 3.85Å; N606-E608 PolarHBondContact O-N 2.86Å
607	R	94.4	Very high	92.2	Very high	78 Å²	78	87.4 Å²	87.4	29%	0.294	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.1	30.2	-175.6	-54.3	179.2	67.3	173.5	3.4	114.6	P397 F398 D471 H475 R603 L604 E605 I609	P397-R607 HydrophobicContact CB-CG 4.18Å; P397-R607 HydrophobicContact CG-CG 3.73Å; F398-R607 HydrophobicContact CE1-CG 4.33Å; F398-R607 HydrophobicContact CZ-CG 4.49Å; D471-R607 IonicContact OD1-NH2 2.77Å; D471-R607 IonicContact OD2-CZ 2.8Å; D471-R607 IonicContact OD2-NH1 3.24Å; D471-R607 IonicContact OD2-NH2 2.75Å; D471-R607 PolarHBondContact OD2-NH2 3.3Å; H475-R607 PolarHBondContact CD2-NH2 2.81Å; R603-R607 PolarHBondContact O-N 2.97Å; L604-R607 WeakPolarHBondContact O-CA 3.44Å; L604-R607 PolarHBondContact O-N 2.93Å; E605-R607 VanDerWaalsContact C-N 3.26Å; E605-R607 PolarHBondContact O-N 3.07Å; R607-I609 VanDerWaalsContact C-N 3.33Å
608	E	93.6	Very high	90	Very high	99 Å²	99	83.2 Å²	83.2	46%	0.463	39%	0.391	S	S	.	.			trans	-86.2	-7.8	178.6	-60.4	174.8	-163.6	0	0	113.2	R603 N606	R603-E608 HydrophobicContact CB-CB 4.14Å; R603-E608 WeakPolarHBondContact CG-OE2 3.16Å; R603-E608 IonicContact CZ-OE2 3.84Å; R603-E608 IonicContact NE-OE2 2.65Å; R603-E608 PolarHBondContact NE-OE2 2.85Å; R603-E608 PolarHBondContact NH2-O 3.34Å; R603-E608 WeakPolarHBondContact O-CB 3.45Å; R603-E608 PolarHBondContact O-N 3.33Å; N606-E608 HydrophobicContact CB-CG 3.85Å; N606-E608 PolarHBondContact O-N 2.86Å
609	I	93.4	Very high	88.1	Confident	37 Å²	37	76.7 Å²	76.7	19%	0.19	39%	0.388	C	S	.	.	S	Bend	trans	-93.2	120.8	176.2	-55.9	-175.3	0	0	0	108.7	F441 H475 D600 R603 L604 R607	F441-I609 HydrophobicContact CD2-CG2 4Å; F441-I609 HydrophobicContact CE2-CB 4.05Å; F441-I609 HydrophobicContact CE2-CG2 3.68Å; H475-I609 PolarHBondContact CE1-O 3.24Å; D600-I609 HydrophobicContact CB-CD1 4.45Å; D600-I609 WeakPolarHBondContact O-CD1 3.24Å; R603-I609 HydrophobicContact CB-CD1 4.35Å; R603-I609 HydrophobicContact CB-CG1 4.05Å; L604-I609 HydrophobicContact CB-CD1 3.89Å; L604-I609 HydrophobicContact CD1-CB 4.32Å; L604-I609 HydrophobicContact CD1-CD1 4.06Å; R607-I609 VanDerWaalsContact C-N 3.33Å
610	Q	92.6	Very high	86	Confident	174 Å²	174	80.9 Å²	80.9	81%	0.813	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-62.3	129.7	179.1	-174	179.3	13.9	0	0	111.6
611	P	94.3	Very high	83.9	Confident	22 Å²	22	78.8 Å²	78.8	14%	0.143	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-59.9	144.7	175.4	-29.2	38	0	0	0	113.7	F441 E473 H475 F613	F441-P611 HydrophobicContact CE1-CB 4.08Å; F441-P611 HydrophobicContact CE1-CG 4.34Å; F441-P611 HydrophobicContact CZ-CB 4.14Å; F441-P611 HydrophobicContact CZ-CG 4.03Å; E473-P611 WeakPolarHBondContact O-CG 3.19Å; H475-P611 WeakPolarHBondContact CD2-CG 3.25Å; H475-P611 WeakPolarHBondContact NE2-CD 3.2Å; H475-P611 WeakPolarHBondContact NE2-CG 3.34Å; P611-F613 PolarHBondContact O-N 2.87Å
612	P	91.8	Very high	82.1	Confident	65 Å²	65	78 Å²	78	42%	0.422	40%	0.401	S	S	.	.	S	Bend	trans	-70.8	-18.5	-179.6	30	-37.1	0	0	0	113.2	Q438 F441 Y442	Q438-P612 HydrophobicContact CB-CB 4.1Å; Q438-P612 HydrophobicContact CB-CG 4.07Å; Q438-P612 HydrophobicContact CG-CB 4.21Å; Q438-P612 HydrophobicContact CG-CG 3.78Å; F441-P612 HydrophobicContact CB-CG 4.19Å; F441-P612 HydrophobicContact CD1-CG 3.89Å; F441-P612 HydrophobicContact CG-CG 4.15Å; Y442-P612 HydrophobicContact CE1-CG 4.06Å
613	F	91.3	Very high	80.5	Confident	71 Å²	71	76.9 Å²	76.9	31%	0.311	40%	0.396	S	S	.	.			trans	-145.9	128.6	-179.8	167	-100.7	0	0	0	109	H427 L470 G474 P611 P615	H427-F613 AromaticContact CE1-CE1 3.47Å; H427-F613 VanDerWaalsContact CE1-CE1 3.47Å; H427-F613 WeakPolarHBondContact CE1-CE1 3.31Å; H427-F613 AromaticContact CE1-CZ 3.92Å; H427-F613 AromaticContact ND1-CE1 3.52Å; H427-F613 AromaticContact ND1-CZ 3.83Å; L470-F613 HydrophobicContact CD1-CD1 3.83Å; L470-F613 HydrophobicContact CD1-CE1 4.08Å; G474-F613 WeakPolarHBondContact CA-O 3.25Å; P611-F613 PolarHBondContact O-N 2.87Å; F613-P615 HydrophobicContact CD1-CG 4.21Å; F613-P615 HydrophobicContact CE1-CB 4.07Å; F613-P615 HydrophobicContact CE1-CG 3.77Å
614	K	88.9	Confident	78.8	Confident	119 Å²	119	72.8 Å²	72.8	52%	0.517	38%	0.382	S	S	.	.			trans	-104	116.4	172.9	-174.8	164.1	-177.3	156.2	0	108.9	S472 E473	S472-K614 WeakPolarHBondContact O-CE 3.34Å; E473-K614 WeakPolarHBondContact OE1-CE 3.34Å; E473-K614 IonicContact OE1-NZ 2.71Å; E473-K614 PolarHBondContact OE1-NZ 3.11Å; E473-K614 IonicContact OE2-NZ 2.76Å; E473-K614 PolarHBondContact OE2-NZ 2.9Å
615	P	84.4	Confident	77	Confident	7 Å²	7	74 Å²	74	5%	0.045	39%	0.388	C	S	.	.			trans	-58.9	147.1	178.4	-23.9	33.6	0	0	0	112.1	L470 D471 F613 V617	L470-P615 HydrophobicContact CB-CG 3.96Å; L470-P615 HydrophobicContact CD1-CG 4.11Å; D471-P615 WeakPolarHBondContact O-CG 3.34Å; F613-P615 HydrophobicContact CD1-CG 4.21Å; F613-P615 HydrophobicContact CE1-CB 4.07Å; F613-P615 HydrophobicContact CE1-CG 3.77Å; P615-V617 PolarHBondContact O-N 2.88Å
616	K	76.6	Confident	75.3	Confident	182 Å²	182	73.5 Å²	73.5	79%	0.791	39%	0.387	S	S	*	.			trans	-79.3	110.1	169.2	-67.8	-178.4	-178.3	176.8	0	108.1	N624	K616-N624 PolarHBondContact O-ND2 2.97Å; K616-N624 VanDerWaalsContact O-ND2 3.16Å
617	V	69.6	Low	73.8	Confident	58 Å²	58	75.4 Å²	75.4	35%	0.352	39%	0.391	S	S	.	.			trans	-104.3	120.5	175.9	-176.6	0	0	0	0	108.6	N420 P615	N420-V617 WeakPolarHBondContact ND2-CG1 3.42Å; P615-V617 PolarHBondContact O-N 2.88Å
618	C	50.2	Low	71.8	Confident	73 Å²	73	78.3 Å²	78.3	49%	0.493	41%	0.405	S	S	.	.			trans	-116.6	114.2	177.4	-74.6	0	0	0	0	110.6
619	G	55	Low	70.1	Confident	69 Å²	69	75.3 Å²	75.3	71%	0.711	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	65	-163.6	168.1	0	0	0	0	0	116.4	G621	G619-G621 PolarHBondContact O-N 3.06Å
620	K	55	Low	68.5	Low	115 Å²	115	75.6 Å²	75.6	50%	0.5	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	16.4	172.4	-65.4	-170.6	173.2	-169.7	0	112.5	E356 E361 L363	E356-K620 IonicContact OE2-NZ 3.21Å; E356-K620 PolarHBondContact OE2-NZ 2.84Å; E361-K620 IonicContact OE2-NZ 2.71Å; L363-K620 HydrophobicContact CD1-CB 4.33Å; L363-K620 HydrophobicContact CD1-CG 4.39Å
621	G	53.6	Low	67.3	Low	30 Å²	30	77 Å²	77	31%	0.309	39%	0.392	S	S	.	.			trans	-88.4	157.7	-170.6	0	0	0	0	0	114.2	Y418 G619 E623	Y418-G621 PolarHBondContact OH-O 3.43Å; G619-G621 PolarHBondContact O-N 3.06Å; G621-E623 VanDerWaalsContact C-N 3.27Å; G621-E623 PolarHBondContact O-N 2.99Å
622	A	58.4	Low	65.8	Low	13 Å²	13	78.7 Å²	78.7	11%	0.107	40%	0.403	C	S	.	.			trans	-93.4	40.2	172	0	0	0	0	0	111.5	A342 L344 L354 N624 F625 T630	A342-A622 HydrophobicContact CB-CB 4.43Å; L344-A622 HydrophobicContact CD2-CB 3.73Å; L354-A622 HydrophobicContact CD2-CB 4.42Å; A622-N624 VanDerWaalsContact C-N 3.28Å; A622-N624 PolarHBondContact O-N 2.77Å; A622-F625 HydrophobicContact CB-CB 4.3Å; A622-F625 HydrophobicContact CB-CD2 4.05Å; A622-F625 HydrophobicContact CB-CG 4.48Å; A622-F625 WeakPolarHBondContact O-CB 3.31Å; A622-F625 PolarHBondContact O-N 2.75Å; A622-T630 HydrophobicContact CB-CG2 3.47Å; A622-T630 VanDerWaalsContact CB-CG2 3.47Å
623	E	63.7	Low	64.7	Low	123 Å²	123	82 Å²	82	58%	0.575	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-24.8	-167.5	-54.7	-167.9	-160.3	0	0	114.1	G621 F625	G621-E623 VanDerWaalsContact C-N 3.27Å; G621-E623 PolarHBondContact O-N 2.99Å; E623-F625 VanDerWaalsContact C-N 3.32Å
624	N	61.5	Low	63.9	Low	27 Å²	27	80.7 Å²	80.7	14%	0.144	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	5.5	175.2	-63.4	-35	0	0	0	112.7	N420 K616 A622	N420-N624 PolarHBondContact O-ND2 2.88Å; K616-N624 PolarHBondContact O-ND2 2.97Å; K616-N624 VanDerWaalsContact O-ND2 3.16Å; A622-N624 VanDerWaalsContact C-N 3.28Å; A622-N624 PolarHBondContact O-N 2.77Å
625	F	59.9	Low	63.3	Low	26 Å²	26	81.2 Å²	81.2	11%	0.114	42%	0.415	C	S	.	.	S	Bend	trans	-104.1	156.6	173	-68.6	-96.8	0	0	0	110.6	L344 Y418 V419 M469 A622 E623 K627 T630	L344-F625 HydrophobicContact CB-CD1 3.96Å; L344-F625 HydrophobicContact CB-CE1 4.02Å; L344-F625 HydrophobicContact CD1-CE1 4.22Å; L344-F625 HydrophobicContact CD1-CZ 4.17Å; L344-F625 HydrophobicContact CD2-CB 4.35Å; L344-F625 HydrophobicContact CD2-CD1 3.86Å; L344-F625 HydrophobicContact CD2-CD2 3.78Å; L344-F625 HydrophobicContact CD2-CE1 4.03Å; L344-F625 HydrophobicContact CD2-CE2 3.97Å; L344-F625 HydrophobicContact CD2-CG 3.72Å; L344-F625 HydrophobicContact CD2-CZ 4.08Å; L344-F625 HydrophobicContact CG-CD1 4.39Å; L344-F625 HydrophobicContact CG-CE1 4.31Å; Y418-F625 HydrophobicContact CE2-CD2 4.48Å; Y418-F625 AromaticContact CE2-CE2 3.48Å; Y418-F625 HydrophobicContact CE2-CE2 3.48Å; Y418-F625 VanDerWaalsContact CE2-CE2 3.48Å; Y418-F625 AromaticContact CE2-CZ 3.73Å; Y418-F625 HydrophobicContact CE2-CZ 3.73Å; Y418-F625 AromaticContact CZ-CE2 3.83Å; Y418-F625 WeakPolarHBondContact OH-CE2 3.45Å; V419-F625 VanDerWaalsContact O-CZ 3.31Å; V419-F625 WeakPolarHBondContact O-CZ 3.28Å; M469-F625 HydrophobicContact CE-CE1 3.86Å; M469-F625 HydrophobicContact CE-CZ 3.83Å; A622-F625 HydrophobicContact CB-CB 4.3Å; A622-F625 HydrophobicContact CB-CD2 4.05Å; A622-F625 HydrophobicContact CB-CG 4.48Å; A622-F625 WeakPolarHBondContact O-CB 3.31Å; A622-F625 PolarHBondContact O-N 2.75Å; E623-F625 VanDerWaalsContact C-N 3.32Å; F625-K627 PolarHBondContact O-N 3.46Å; F625-T630 HydrophobicContact CB-CG2 3.97Å
626	D	59.8	Low	62.8	Low	56 Å²	56	83.2 Å²	83.2	30%	0.299	43%	0.425	S	S	.	.			trans	-56.8	128.8	-177.1	-166.2	-30.3	0	0	0	111.6	F628 F629 T630	D626-F628 PolarHBondContact O-N 3.01Å; D626-F628 VanDerWaalsContact OD1-CB 3.31Å; D626-F628 WeakPolarHBondContact OD1-CB 3.34Å; D626-F628 PolarHBondContact OD1-N 2.77Å; D626-F629 HydrophobicContact CB-CD2 3.8Å; D626-F629 HydrophobicContact CB-CE2 4.18Å; D626-F629 PolarHBondContact O-N 2.64Å; D626-T630 PolarHBondContact O-N 3.14Å; D626-T630 VanDerWaalsContact O-N 3.13Å; D626-T630 PolarHBondContact O-OG1 3.29Å
627	K	62.1	Low	62.6	Low	140 Å²	140	77.9 Å²	77.9	61%	0.609	41%	0.408	S	S	*	.	H	α-helix	trans	-59.9	-25	177.6	-69.1	-175.2	-178.2	176.1	0	112.5	F625 T630 R631	F625-K627 PolarHBondContact O-N 3.46Å; K627-T630 WeakPolarHBondContact CA-OG1 3.37Å; K627-R631 WeakPolarHBondContact O-CB 3.31Å; K627-R631 VanDerWaalsContact O-CD 3.31Å; K627-R631 WeakPolarHBondContact O-CD 3.49Å; K627-R631 WeakPolarHBondContact O-CG 3.41Å; K627-R631 PolarHBondContact O-N 2.82Å
628	F	52.2	Low	62.6	Low	138 Å²	138	80.2 Å²	80.2	61%	0.605	42%	0.424	S	S	*	.	H	α-helix	trans	-58.9	-47.8	172.9	178.8	-98.9	0	0	0	111.4	D626 T632	D626-F628 PolarHBondContact O-N 3.01Å; D626-F628 VanDerWaalsContact OD1-CB 3.31Å; D626-F628 WeakPolarHBondContact OD1-CB 3.34Å; D626-F628 PolarHBondContact OD1-N 2.77Å; F628-T632 PolarHBondContact O-OG1 3.49Å
629	F	57	Low	63.4	Low	37 Å²	37	80.5 Å²	80.5	16%	0.162	43%	0.425	C	S	.	.	H	α-helix	trans	-76.6	-43.5	-179.1	-60.2	-59.9	0	0	0	111.9	V343 K346 D626 R631 T632	V343-F629 HydrophobicContact CG1-CB 4.38Å; V343-F629 CarbonylContact O-C 3.47Å; V343-F629 VanDerWaalsContact O-C 3.25Å; V343-F629 WeakPolarHBondContact O-CB 3.2Å; K346-F629 HydrophobicContact CB-CD1 4.47Å; K346-F629 HydrophobicContact CB-CE1 3.99Å; D626-F629 HydrophobicContact CB-CD2 3.8Å; D626-F629 HydrophobicContact CB-CE2 4.18Å; D626-F629 PolarHBondContact O-N 2.64Å; F629-R631 PolarHBondContact O-N 2.91Å; F629-T632 VanDerWaalsContact O-CB 3.24Å; F629-T632 WeakPolarHBondContact O-CB 2.99Å; F629-T632 PolarHBondContact O-N 2.6Å; F629-T632 PolarHBondContact O-OG1 3.11Å
630	T	60.2	Low	64.3	Low	43 Å²	43	81.3 Å²	81.3	26%	0.264	41%	0.414	S	S	.	.	H	α-helix	trans	-70.3	-16.2	-174.5	58	0	0	0	0	113.9	V343 A622 F625 D626 K627	V343-T630 PolarHBondContact O-N 2.82Å; A622-T630 HydrophobicContact CB-CG2 3.47Å; A622-T630 VanDerWaalsContact CB-CG2 3.47Å; F625-T630 HydrophobicContact CB-CG2 3.97Å; D626-T630 PolarHBondContact O-N 3.14Å; D626-T630 VanDerWaalsContact O-N 3.13Å; D626-T630 PolarHBondContact O-OG1 3.29Å; K627-T630 WeakPolarHBondContact CA-OG1 3.37Å
631	R	68.4	Low	65.1	Low	203 Å²	203	84 Å²	84	77%	0.766	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-15	169.4	-73.6	172.9	-179.7	-175.1	-1.3	114.1	K627 F629	K627-R631 WeakPolarHBondContact O-CB 3.31Å; K627-R631 VanDerWaalsContact O-CD 3.31Å; K627-R631 WeakPolarHBondContact O-CD 3.49Å; K627-R631 WeakPolarHBondContact O-CG 3.41Å; K627-R631 PolarHBondContact O-N 2.82Å; F629-R631 PolarHBondContact O-N 2.91Å
632	T	63	Low	65.6	Low	58 Å²	58	88.9 Å²	88.9	36%	0.356	45%	0.446	S	S	.	.	S	Bend	trans	-75.2	135.8	179.6	-58	0	0	0	0	109.9	V343 F628 F629	V343-T632 HydrophobicContact CG2-CG2 4.25Å; F628-T632 PolarHBondContact O-OG1 3.49Å; F629-T632 VanDerWaalsContact O-CB 3.24Å; F629-T632 WeakPolarHBondContact O-CB 2.99Å; F629-T632 PolarHBondContact O-N 2.6Å; F629-T632 PolarHBondContact O-OG1 3.11Å
633	Q	66.9	Low	66.1	Low	135 Å²	135	90.6 Å²	90.6	63%	0.631	46%	0.455	S	S	*	.			trans	-59.1	133.2	175.5	-70.3	-170.1	10.1	0	0	110.7	Q635	Q633-Q635 HydrophobicContact CB-CG 4.45Å; Q633-Q635 PolarHBondContact O-N 2.79Å
634	P	74.9	Confident	66.5	Low	43 Å²	43	86.4 Å²	86.4	28%	0.279	44%	0.436	S	S	.	.			trans	-77.7	61	-178.9	34.1	-37.7	0	0	0	111.1	F340	F340-P634 HydrophobicContact CB-CB 4.01Å
635	Q	75.9	Confident	67.1	Low	130 Å²	130	89 Å²	89	61%	0.607	46%	0.461	S	S	*	.			trans	-114.7	139	179.1	-67.3	-169.2	-2.2	0	0	111.8	Q633	Q633-Q635 HydrophobicContact CB-CG 4.45Å; Q633-Q635 PolarHBondContact O-N 2.79Å
636	L	73.8	Confident	67.8	Low	48 Å²	48	94.5 Å²	94.5	25%	0.251	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-79.2	139.7	169.4	-66.2	173.7	0	0	0	109.7	L335 F340 M353 I368 Y413	L335-L636 HydrophobicContact CD1-CD1 4.48Å; L335-L636 HydrophobicContact CD2-CD1 4.21Å; F340-L636 HydrophobicContact CE2-CD1 4.23Å; M353-L636 HydrophobicContact CE-CD2 3.48Å; M353-L636 VanDerWaalsContact CE-CD2 3.48Å; M353-L636 HydrophobicContact CE-CG 4.21Å; M353-L636 HydrophobicContact SD-CD2 4.3Å; I368-L636 HydrophobicContact CD1-CD2 3.73Å; I368-L636 HydrophobicContact CG2-CD2 4.02Å; Y413-L636 HydrophobicContact CE1-CD1 4.45Å
637	T	73.9	Confident	68.7	Low	70 Å²	70	92.6 Å²	92.6	43%	0.429	48%	0.482	S	S	.	.	P	Polyproline II helix	trans	-60.1	134.3	168.9	-46.3	0	0	0	0	109	R411	R411-T637 PolarHBondContact NH2-O 3.19Å
638	P	68.4	Low	69.7	Low	107 Å²	107	90.2 Å²	90.2	70%	0.695	48%	0.476	S	S	*	.	P	Polyproline II helix	trans	-54.7	144.7	176.6	-26	34.4	0	0	0	112.2
639	P	67.8	Low	71.4	Confident	80 Å²	80	87 Å²	87	52%	0.519	46%	0.463	S	S	.	.	P	Polyproline II helix	trans	-65	140.8	174.6	20.6	-27.3	0	0	0	111.7	D410 I644	D410-P639 HydrophobicContact CB-CB 4.46Å; P639-I644 HydrophobicContact CB-CD1 3.52Å
640	D	73.7	Confident	73	Confident	86 Å²	86	88.6 Å²	88.6	46%	0.46	48%	0.482	S	S	.	.			trans	-96	113.7	170.6	-176.3	-33.6	0	0	0	109.2	L642 V643 I644	D640-L642 VanDerWaalsContact C-N 3.29Å; D640-L642 PolarHBondContact O-N 2.7Å; D640-L642 WeakPolarHBondContact OD1-CB 3.15Å; D640-L642 PolarHBondContact OD1-N 2.85Å; D640-V643 HydrophobicContact CB-CB 3.99Å; D640-V643 HydrophobicContact CB-CG2 3.83Å; D640-V643 PolarHBondContact O-N 2.81Å; D640-V643 PolarHBondContact OD1-N 3.17Å; D640-I644 VanDerWaalsContact O-CG1 3.27Å; D640-I644 WeakPolarHBondContact O-CG1 3.27Å; D640-I644 PolarHBondContact O-N 3.45Å
641	E	72.6	Confident	74.3	Confident	170 Å²	170	90.6 Å²	90.6	79%	0.794	49%	0.488	S	S	*	.	H	α-helix	trans	-62.9	-32.5	-176.4	-65.9	-173.3	173.9	0	0	113.2	I644 A645	E641-I644 PolarHBondContact O-N 3.4Å; E641-A645 WeakPolarHBondContact O-CB 3.02Å; E641-A645 PolarHBondContact O-N 3.45Å
642	L	64.6	Low	75.4	Confident	134 Å²	134	80.9 Å²	80.9	70%	0.702	45%	0.452	S	S	*	.	H	α-helix	trans	-72	-38.5	178.2	-66.9	174.7	0	0	0	110.8	D640 N646	D640-L642 VanDerWaalsContact C-N 3.29Å; D640-L642 PolarHBondContact O-N 2.7Å; D640-L642 WeakPolarHBondContact OD1-CB 3.15Å; D640-L642 PolarHBondContact OD1-N 2.85Å; L642-N646 PolarHBondContact O-ND2 2.93Å
643	V	67.1	Low	76.8	Confident	49 Å²	49	81.3 Å²	81.3	30%	0.297	46%	0.461	S	S	.	.	H	α-helix	trans	-65	-48.6	173.8	176.4	0	0	0	0	109.5	D372 D640 A645 N646 I647	D372-V643 HydrophobicContact CB-CG1 3.37Å; D640-V643 HydrophobicContact CB-CB 3.99Å; D640-V643 HydrophobicContact CB-CG2 3.83Å; D640-V643 PolarHBondContact O-N 2.81Å; D640-V643 PolarHBondContact OD1-N 3.17Å; V643-A645 VanDerWaalsContact C-N 3.3Å; V643-A645 PolarHBondContact O-N 2.78Å; V643-N646 PolarHBondContact O-N 2.86Å; V643-I647 HydrophobicContact CG1-CD1 4.25Å; V643-I647 HydrophobicContact CG1-CG1 4.45Å; V643-I647 WeakPolarHBondContact O-CG1 3.29Å; V643-I647 PolarHBondContact O-N 2.92Å
644	I	73.6	Confident	77.9	Confident	34 Å²	34	77.5 Å²	77.5	17%	0.174	46%	0.458	C	S	.	.	H	α-helix	trans	-56.4	-43	179.6	-69.4	163	0	0	0	112.3	V409 D410 P639 D640 E641 N646 I647	V409-I644 HydrophobicContact CB-CG2 3.96Å; V409-I644 HydrophobicContact CG2-CD1 3.91Å; V409-I644 HydrophobicContact CG2-CG1 4.41Å; V409-I644 HydrophobicContact CG2-CG2 4.1Å; D410-I644 HydrophobicContact CB-CD1 3.96Å; D410-I644 HydrophobicContact CB-CG1 3.86Å; P639-I644 HydrophobicContact CB-CD1 3.52Å; D640-I644 VanDerWaalsContact O-CG1 3.27Å; D640-I644 WeakPolarHBondContact O-CG1 3.27Å; D640-I644 PolarHBondContact O-N 3.45Å; E641-I644 PolarHBondContact O-N 3.4Å; I644-N646 PolarHBondContact O-N 2.92Å; I644-I647 PolarHBondContact O-N 3.44Å
645	A	72.8	Confident	78.9	Confident	81 Å²	81	75.5 Å²	75.5	67%	0.669	45%	0.445	S	S	*	.	H	α-helix	trans	-61.8	-22.5	179.5	0	0	0	0	0	113.4	E641 V643	E641-A645 WeakPolarHBondContact O-CB 3.02Å; E641-A645 PolarHBondContact O-N 3.45Å; V643-A645 VanDerWaalsContact C-N 3.3Å; V643-A645 PolarHBondContact O-N 2.78Å
646	N	75.8	Confident	79.7	Confident	142 Å²	142	72.2 Å²	72.2	76%	0.759	44%	0.437	S	S	*	.	H	α-helix	trans	-101.5	-2.5	-179.7	-68.2	-57.8	0	0	0	113.8	L642 V643 I644	L642-N646 PolarHBondContact O-ND2 2.93Å; V643-N646 PolarHBondContact O-N 2.86Å; I644-N646 PolarHBondContact O-N 2.92Å
647	I	77.4	Confident	80.7	Confident	16 Å²	16	72.5 Å²	72.5	8%	0.082	44%	0.436	C	S	.	.	S	Bend	trans	-78.9	122.4	176.2	-67.5	170.1	0	0	0	109.1	K371 D372 I375 V643 I644 Q649 F652	K371-I647 HydrophobicContact CB-CD1 3.93Å; K371-I647 HydrophobicContact CB-CG2 4.16Å; K371-I647 HydrophobicContact CD-CG2 4.23Å; D372-I647 HydrophobicContact CB-CD1 4.27Å; I375-I647 HydrophobicContact CD1-CG2 3.82Å; V643-I647 HydrophobicContact CG1-CD1 4.25Å; V643-I647 HydrophobicContact CG1-CG1 4.45Å; V643-I647 WeakPolarHBondContact O-CG1 3.29Å; V643-I647 PolarHBondContact O-N 2.92Å; I644-I647 PolarHBondContact O-N 3.44Å; I647-Q649 VanDerWaalsContact CG2-NE2 3.31Å; I647-Q649 PolarHBondContact O-N 3.34Å; I647-Q649 VanDerWaalsContact O-N 3.07Å; I647-F652 HydrophobicContact CG2-CE2 4.47Å
648	D	84.1	Confident	81.6	Confident	91 Å²	91	72.8 Å²	72.8	49%	0.487	43%	0.434	S	S	.	.			trans	-71	102.2	167.8	-170.8	-7.2	0	0	0	109.9	A650 E651	D648-A650 PolarHBondContact O-N 3.28Å; D648-A650 VanDerWaalsContact OD1-CB 3.28Å; D648-A650 WeakPolarHBondContact OD1-CB 3.17Å; D648-A650 PolarHBondContact OD1-N 3.32Å; D648-E651 HydrophobicContact CB-CG 4.18Å; D648-E651 PolarHBondContact O-N 3.27Å
649	Q	87.5	Confident	82.7	Confident	71 Å²	71	68.3 Å²	68.3	33%	0.332	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-67.4	-19.3	-178.6	-60.3	-63.8	-37.7	0	0	112.8	V409 I647 E651 F652	V409-Q649 PolarHBondContact O-NE2 3.46Å; I647-Q649 VanDerWaalsContact CG2-NE2 3.31Å; I647-Q649 PolarHBondContact O-N 3.34Å; I647-Q649 VanDerWaalsContact O-N 3.07Å; Q649-E651 VanDerWaalsContact C-N 3.28Å; Q649-E651 PolarHBondContact O-N 2.98Å; Q649-F652 PolarHBondContact O-N 3.07Å
650	A	89.7	Confident	83.7	Confident	69 Å²	69	69.6 Å²	69.6	57%	0.57	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-69.6	-26.6	-178.9	0	0	0	0	0	112.5	D648 F652 A653	D648-A650 PolarHBondContact O-N 3.28Å; D648-A650 VanDerWaalsContact OD1-CB 3.28Å; D648-A650 WeakPolarHBondContact OD1-CB 3.17Å; D648-A650 PolarHBondContact OD1-N 3.32Å; A650-F652 PolarHBondContact O-N 3Å; A650-A653 VanDerWaalsContact O-CB 3.27Å; A650-A653 WeakPolarHBondContact O-CB 3.09Å; A650-A653 PolarHBondContact O-N 3.05Å; A650-A653 VanDerWaalsContact O-N 3.11Å
651	E	88.2	Confident	84.4	Confident	85 Å²	85	69.4 Å²	69.4	40%	0.397	41%	0.409	S	S	.	.	G	3₁₀ helix	trans	-61.1	-25.2	178	-68.6	-169.3	171.4	0	0	113	I375 V380 D648 Q649	I375-E651 WeakPolarHBondContact CG1-OE2 3.36Å; V380-E651 HydrophobicContact CG1-CB 4.13Å; D648-E651 HydrophobicContact CB-CG 4.18Å; D648-E651 PolarHBondContact O-N 3.27Å; Q649-E651 VanDerWaalsContact C-N 3.28Å; Q649-E651 PolarHBondContact O-N 2.98Å
652	F	92.7	Very high	85.1	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-104.9	18.8	179.2	-55.8	-69.5	0	0	0	113.5	K371 V374 I375 V380 Q407 L412 I647 Q649 A650 G654 F655	K371-F652 HydrophobicContact CB-CD2 4.45Å; K371-F652 HydrophobicContact CB-CE2 3.71Å; K371-F652 HydrophobicContact CB-CZ 4.12Å; K371-F652 HydrophobicContact CD-CD2 3.69Å; K371-F652 HydrophobicContact CD-CE2 3.81Å; K371-F652 HydrophobicContact CD-CG 4.47Å; K371-F652 HydrophobicContact CG-CD2 3.86Å; K371-F652 HydrophobicContact CG-CE2 3.55Å; K371-F652 HydrophobicContact CG-CZ 4.01Å; V374-F652 HydrophobicContact CB-CZ 4.35Å; V374-F652 HydrophobicContact CG1-CE1 3.95Å; V374-F652 HydrophobicContact CG1-CZ 4.1Å; I375-F652 HydrophobicContact CD1-CE2 3.88Å; I375-F652 HydrophobicContact CD1-CZ 4.27Å; I375-F652 HydrophobicContact CG1-CE2 4.04Å; I375-F652 HydrophobicContact CG1-CZ 3.89Å; V380-F652 HydrophobicContact CB-CE1 4.45Å; V380-F652 HydrophobicContact CG1-CD1 4.38Å; V380-F652 HydrophobicContact CG1-CE1 4.06Å; V380-F652 HydrophobicContact CG2-CE1 4.06Å; V380-F652 HydrophobicContact CG2-CZ 4.03Å; Q407-F652 PolarHBondContact NE2-O 3.35Å; L412-F652 HydrophobicContact CD1-CD1 3.63Å; L412-F652 HydrophobicContact CD1-CE1 3.63Å; L412-F652 HydrophobicContact CD1-CG 4.42Å; L412-F652 HydrophobicContact CD1-CZ 4.41Å; L412-F652 HydrophobicContact CD2-CB 4.15Å; L412-F652 HydrophobicContact CD2-CD1 4.03Å; L412-F652 HydrophobicContact CD2-CG 4.06Å; L412-F652 HydrophobicContact CG-CD1 4.36Å; I647-F652 HydrophobicContact CG2-CE2 4.47Å; Q649-F652 PolarHBondContact O-N 3.07Å; A650-F652 PolarHBondContact O-N 3Å; F652-G654 PolarHBondContact O-N 3.41Å; F652-F655 WeakPolarHBondContact O-CB 3.38Å; F652-F655 PolarHBondContact O-N 3.14Å
653	A	90.8	Very high	85.9	Confident	67 Å²	67	59.9 Å²	59.9	55%	0.554	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	136.1	175.2	0	0	0	0	0	111.1	M384 A650 F655	M384-A653 WeakPolarHBondContact CE-O 3.49Å; A650-A653 VanDerWaalsContact O-CB 3.27Å; A650-A653 WeakPolarHBondContact O-CB 3.09Å; A650-A653 PolarHBondContact O-N 3.05Å; A650-A653 VanDerWaalsContact O-N 3.11Å; A653-F655 VanDerWaalsContact C-N 3.33Å; A653-F655 PolarHBondContact O-N 2.64Å
654	G	91.1	Very high	86.6	Confident	55 Å²	55	58.6 Å²	58.6	57%	0.567	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.7	10	-179.6	0	0	0	0	0	115.6	K387 F652	K387-G654 PolarHBondContact NZ-O 3.06Å; F652-G654 PolarHBondContact O-N 3.41Å
655	F	94.7	Very high	86.5	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	36%	0.359	C	S	.	.			trans	-65.5	-43.5	175.2	-174.1	-93.8	0	0	0	112.8	T383 M384 K387 C405 F406 Q407 L412 F414 F652 A653 F657	T383-F655 HydrophobicContact CG2-CE2 4.09Å; M384-F655 HydrophobicContact SD-CB 4.33Å; M384-F655 HydrophobicContact SD-CD2 3.89Å; K387-F655 HydrophobicContact CB-CE2 4.36Å; K387-F655 WeakPolarHBondContact CE-O 3.1Å; C405-F655 HydrophobicContact CB-CD1 4.05Å; C405-F655 HydrophobicContact CB-CE1 3.64Å; C405-F655 HydrophobicContact CB-CZ 4.07Å; C405-F655 WeakPolarHBondContact CB-O 3.48Å; F406-F655 VanDerWaalsContact O-CE1 3.24Å; F406-F655 WeakPolarHBondContact O-CE1 3.48Å; Q407-F655 HydrophobicContact CB-CD1 4.09Å; L412-F655 HydrophobicContact CB-CE1 3.92Å; L412-F655 HydrophobicContact CB-CE2 4.11Å; L412-F655 HydrophobicContact CB-CZ 3.69Å; L412-F655 HydrophobicContact CD1-CD2 4.34Å; L412-F655 HydrophobicContact CD1-CE2 4.1Å; L412-F655 HydrophobicContact CD2-CD1 3.94Å; L412-F655 HydrophobicContact CD2-CD2 4.09Å; L412-F655 HydrophobicContact CD2-CE1 4.16Å; L412-F655 HydrophobicContact CD2-CE2 4.31Å; L412-F655 HydrophobicContact CD2-CG 3.92Å; L412-F655 HydrophobicContact CD2-CZ 4.36Å; L412-F655 HydrophobicContact CG-CE2 4.41Å; L412-F655 HydrophobicContact CG-CZ 4.41Å; F414-F655 HydrophobicContact CD1-CZ 4.35Å; F414-F655 AromaticContact CD2-CZ 3.93Å; F414-F655 HydrophobicContact CD2-CZ 3.93Å; F414-F655 HydrophobicContact CE1-CE2 4.04Å; F414-F655 AromaticContact CE1-CZ 4Å; F414-F655 HydrophobicContact CE1-CZ 4Å; F414-F655 AromaticContact CE2-CE2 3.78Å; F414-F655 HydrophobicContact CE2-CE2 3.78Å; F414-F655 AromaticContact CE2-CZ 3.52Å; F414-F655 HydrophobicContact CE2-CZ 3.52Å; F414-F655 HydrophobicContact CG-CZ 4.33Å; F414-F655 AromaticContact CZ-CE2 3.46Å; F414-F655 HydrophobicContact CZ-CE2 3.46Å; F414-F655 VanDerWaalsContact CZ-CE2 3.46Å; F414-F655 AromaticContact CZ-CZ 3.57Å; F414-F655 HydrophobicContact CZ-CZ 3.57Å; F652-F655 WeakPolarHBondContact O-CB 3.38Å; F652-F655 PolarHBondContact O-N 3.14Å; A653-F655 VanDerWaalsContact C-N 3.33Å; A653-F655 PolarHBondContact O-N 2.64Å; F655-F657 PolarHBondContact O-N 2.75Å
656	S	93.8	Very high	86.2	Confident	62 Å²	62	57.7 Å²	57.7	43%	0.434	35%	0.347	S	S	.	.			trans	-61.1	133.9	-177.7	-59.1	0	0	0	0	112.2	C405	C405-S656 CarbonylContact O-C 3.51Å; C405-S656 VanDerWaalsContact O-CA 3.28Å; C405-S656 WeakPolarHBondContact O-CA 3.5Å
657	F	94.1	Very high	85.7	Confident	54 Å²	54	55.6 Å²	55.6	24%	0.237	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	145.9	-175.6	171	-106.1	0	0	0	110.5	A391 L402 S404 C405 F655 N659	A391-F657 HydrophobicContact CB-CD1 3.91Å; A391-F657 HydrophobicContact CB-CE1 3.5Å; A391-F657 VanDerWaalsContact CB-CE1 3.5Å; A391-F657 HydrophobicContact CB-CE2 4.43Å; A391-F657 HydrophobicContact CB-CZ 3.8Å; L402-F657 HydrophobicContact CD2-CD1 3.82Å; L402-F657 HydrophobicContact CD2-CE1 4.02Å; S404-F657 CarbonylContact C-O 3.19Å; S404-F657 WeakPolarHBondContact CA-O 3.35Å; S404-F657 VanDerWaalsContact CB-O 3.3Å; S404-F657 WeakPolarHBondContact CB-O 3.5Å; C405-F657 HydrophobicContact CB-CB 4.4Å; C405-F657 PolarHBondContact N-O 3.07Å; C405-F657 PolarHBondContact O-N 3.29Å; C405-F657 VanDerWaalsContact O-O 3.14Å; F655-F657 PolarHBondContact O-N 2.75Å; F657-N659 HydrophobicContact CE1-CB 3.75Å; F657-N659 HydrophobicContact CZ-CB 4.13Å
658	I	93.3	Very high	84.9	Confident	75 Å²	75	58.6 Å²	58.6	39%	0.385	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	129.7	170.3	-61.2	175.4	0	0	0	106.7	D331 V333 P660	D331-I658 WeakPolarHBondContact O-CD1 3.27Å; V333-I658 HydrophobicContact CG2-CD1 4.05Å; V333-I658 HydrophobicContact CG2-CG1 4.26Å; I658-P660 VanDerWaalsContact O-CD 3.31Å; I658-P660 WeakPolarHBondContact O-CD 3.41Å
659	N	91.6	Very high	83.4	Confident	14 Å²	14	58.3 Å²	58.3	8%	0.075	35%	0.352	C	S	.	.			trans	-83.2	114	-178.6	-175.3	-0.7	0	0	0	110.6	L402 H403 F657 Q661 F662	L402-N659 WeakPolarHBondContact O-CB 3.11Å; L402-N659 PolarHBondContact O-ND2 3.22Å; H403-N659 WeakPolarHBondContact O-CB 3.29Å; H403-N659 PolarHBondContact O-N 2.73Å; F657-N659 HydrophobicContact CE1-CB 3.75Å; F657-N659 HydrophobicContact CZ-CB 4.13Å; N659-Q661 VanDerWaalsContact C-N 3.27Å; N659-Q661 PolarHBondContact O-N 3.02Å; N659-Q661 PolarHBondContact OD1-N 2.98Å; N659-F662 HydrophobicContact CB-CB 4.11Å; N659-F662 PolarHBondContact O-N 2.96Å
660	P	88.4	Confident	81	Confident	106 Å²	106	59.4 Å²	59.4	69%	0.688	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-16.9	-180	31.2	-36	0	0	0	113.6	I658	I658-P660 VanDerWaalsContact O-CD 3.31Å; I658-P660 WeakPolarHBondContact O-CD 3.41Å
661	Q	88.1	Confident	78.3	Confident	83 Å²	83	67.6 Å²	67.6	39%	0.388	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	0.4	-178.9	-67.4	-179.1	-30.3	0	0	113	D394 N659 V663	D394-Q661 PolarHBondContact OD1-NE2 3.45Å; N659-Q661 VanDerWaalsContact C-N 3.27Å; N659-Q661 PolarHBondContact O-N 3.02Å; N659-Q661 PolarHBondContact OD1-N 2.98Å; Q661-V663 PolarHBondContact O-N 3.08Å
662	F	88.1	Confident	77.8	Confident	30 Å²	30	66.8 Å²	66.8	13%	0.132	39%	0.394	C	S	.	.			trans	-68.1	118.7	-178.6	-178.3	-91.3	0	0	0	110.5	Y364 Q401 H403 E417 N659 H664	Y364-F662 AromaticContact CE1-CE1 3.93Å; Y364-F662 HydrophobicContact CE1-CE1 3.93Å; Y364-F662 AromaticContact CE1-CZ 3.92Å; Y364-F662 HydrophobicContact CE1-CZ 3.92Å; Q401-F662 HydrophobicContact CB-CD2 3.93Å; Q401-F662 HydrophobicContact CB-CE2 3.84Å; H403-F662 HydrophobicContact CB-CD1 4.18Å; H403-F662 HydrophobicContact CB-CD2 4.02Å; H403-F662 HydrophobicContact CB-CE1 4.19Å; H403-F662 HydrophobicContact CB-CE2 4.04Å; H403-F662 HydrophobicContact CB-CG 4.08Å; H403-F662 HydrophobicContact CB-CZ 4.13Å; H403-F662 AromaticContact CD2-CD1 3.56Å; H403-F662 AromaticContact CD2-CE1 3.84Å; E417-F662 HydrophobicContact CB-CE2 4.11Å; E417-F662 HydrophobicContact CB-CZ 4.31Å; N659-F662 HydrophobicContact CB-CB 4.11Å; N659-F662 PolarHBondContact O-N 2.96Å; F662-H664 HydrophobicContact CE1-CB 3.94Å
663	V	82.1	Confident	77	Confident	74 Å²	74	70.3 Å²	70.3	45%	0.448	42%	0.415	S	S	.	.			trans	-109.8	120.8	171.6	-174.9	0	0	0	0	108.1	Q661 V668	Q661-V663 PolarHBondContact O-N 3.08Å; V663-V668 HydrophobicContact CB-CG2 4.47Å; V663-V668 HydrophobicContact CG1-CG2 3.66Å
664	H	80.9	Confident	76.2	Confident	21 Å²	21	70.4 Å²	70.4	10%	0.097	41%	0.407	C	S	.	.			trans	-68.2	135.1	-177.3	-170.5	-90.3	0	0	0	110.8	E362 F662 S666 I667	E362-H664 WeakPolarHBondContact OE1-CB 3.45Å; E362-H664 IonicContact OE1-CD2 3.51Å; E362-H664 IonicContact OE1-CG 3.56Å; E362-H664 VanDerWaalsContact OE1-CG 3.27Å; E362-H664 IonicContact OE1-ND1 2.84Å; E362-H664 PolarHBondContact OE1-ND1 2.87Å; F662-H664 HydrophobicContact CE1-CB 3.94Å; H664-S666 PolarHBondContact CE1-OG 3.22Å; H664-S666 WeakPolarHBondContact ND1-CB 3.23Å; H664-S666 PolarHBondContact ND1-N 3.16Å; H664-S666 VanDerWaalsContact ND1-N 3.18Å; H664-S666 PolarHBondContact ND1-OG 3.21Å; H664-S666 PolarHBondContact O-N 2.89Å; H664-S666 VanDerWaalsContact O-N 3.08Å; H664-I667 HydrophobicContact CB-CD1 4.24Å; H664-I667 HydrophobicContact CB-CG1 4.45Å; H664-I667 WeakPolarHBondContact O-CB 3.08Å; H664-I667 PolarHBondContact O-N 2.98Å
665	P	71.3	Confident	75.3	Confident	38 Å²	38	71.4 Å²	71.4	25%	0.247	40%	0.398	C	S	.	.	H	α-helix	trans	-57.6	-26	-176.4	-27.7	34.8	0	0	0	115.4	I667 V668 N669	P665-I667 PolarHBondContact O-N 3.07Å; P665-V668 PolarHBondContact O-N 3.22Å; P665-N669 PolarHBondContact O-N 3.47Å; P665-N669 PolarHBondContact O-ND2 3.21Å
666	S	66.9	Low	74.1	Confident	58 Å²	58	75.8 Å²	75.8	41%	0.406	42%	0.423	S	S	.	.	H	α-helix	trans	-63.5	-30.8	175.4	63.4	0	0	0	0	113	H664 S670	H664-S666 PolarHBondContact CE1-OG 3.22Å; H664-S666 WeakPolarHBondContact ND1-CB 3.23Å; H664-S666 PolarHBondContact ND1-N 3.16Å; H664-S666 VanDerWaalsContact ND1-N 3.18Å; H664-S666 PolarHBondContact ND1-OG 3.21Å; H664-S666 PolarHBondContact O-N 2.89Å; H664-S666 VanDerWaalsContact O-N 3.08Å; S666-S670 PolarHBondContact O-OG 2.61Å
667	I	64.8	Low	72.8	Confident	98 Å²	98	76.7 Å²	76.7	50%	0.503	42%	0.422	S	S	.	.	H	α-helix	trans	-77.7	-38	-179.2	-56.7	174.5	0	0	0	109.8	H664 P665 S670	H664-I667 HydrophobicContact CB-CD1 4.24Å; H664-I667 HydrophobicContact CB-CG1 4.45Å; H664-I667 WeakPolarHBondContact O-CB 3.08Å; H664-I667 PolarHBondContact O-N 2.98Å; P665-I667 PolarHBondContact O-N 3.07Å; I667-S670 PolarHBondContact O-N 2.8Å; I667-S670 PolarHBondContact O-OG 2.97Å; I667-S670 VanDerWaalsContact O-OG 3.11Å
668	V	61.4	Low	71.3	Confident	79 Å²	79	78.4 Å²	78.4	48%	0.479	44%	0.435	S	S	.	.	H	α-helix	trans	-69.1	-33.9	179.5	-174.5	0	0	0	0	111.9	V663 P665 S670	V663-V668 HydrophobicContact CB-CG2 4.47Å; V663-V668 HydrophobicContact CG1-CG2 3.66Å; P665-V668 PolarHBondContact O-N 3.22Å; V668-S670 VanDerWaalsContact C-N 3.33Å; V668-S670 PolarHBondContact O-N 3.16Å
669	N	51.7	Low	69.6	Low	85 Å²	85	78.6 Å²	78.6	46%	0.455	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	4.3	-178.1	-68.3	-23.6	0	0	0	114.3	P665	P665-N669 PolarHBondContact O-N 3.47Å; P665-N669 PolarHBondContact O-ND2 3.21Å
670	S	38.3	Very low	67.8	Low	95 Å²	95	84 Å²	84	66%	0.664	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.6	-1.2	179.6	29.3	0	0	0	0	114.7	S666 I667 V668	S666-S670 PolarHBondContact O-OG 2.61Å; I667-S670 PolarHBondContact O-N 2.8Å; I667-S670 PolarHBondContact O-OG 2.97Å; I667-S670 VanDerWaalsContact O-OG 3.11Å; V668-S670 VanDerWaalsContact C-N 3.33Å; V668-S670 PolarHBondContact O-N 3.16Å
671	E	31.4	Very low	65.9	Low	241 Å²	241	82 Å²	82	100%	1.126	45%	0.449	S	S	*	.			trans	-96.8	0	160.8	-66.6	-171.6	157.9	0	0	110.4

Retrieved 671 of 671 residues in 228.4 ms (Link to these results)

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