A0A3Q0KLC5_SCHMA Loading...

Protein kinase C

PKC is activated by diacylglycerol which in turn phosphorylates a range of cellular proteins. PKC also serves as the receptor for phorbol esters, a class of tumor promoters.

AlphaFold DB , UniProt , Accession A0A3Q0KLC5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 646 aa.

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.6	Very low	30.4	Very low	249 Å²	249	135.7 Å²	135.7	100%	1.227	86%	0.862	S	S	*	*				0	127.8	0	-76.5	179.2	174.4	0	0	108.2
2	S	30.7	Very low	30.3	Very low	115 Å²	115	138.2 Å²	138.2	80%	0.804	86%	0.864	S	S	*	*			trans	-76.4	130.7	-179.8	46.1	0	0	0	0	112.2
3	S	32.3	Very low	29.9	Very low	110 Å²	110	142.5 Å²	142.5	77%	0.769	86%	0.862	S	S	*	*			trans	159.2	112.2	139.1	58.3	0	0	0	0	109.5
4	L	33.5	Very low	29.8	Very low	187 Å²	187	143.4 Å²	143.4	98%	0.979	86%	0.859	S	S	*	*			trans	-120.1	104.1	165.6	-85.3	162.2	0	0	0	107.5
5	S	31.4	Very low	29.7	Very low	108 Å²	108	142 Å²	142	76%	0.755	85%	0.852	S	S	*	*			trans	-85.6	147.6	177.2	45.3	0	0	0	0	111.6
6	A	24.7	Very low	29.4	Very low	97 Å²	97	140.8 Å²	140.8	80%	0.802	85%	0.852	S	S	*	*			trans	-62.3	159.1	167.1	0	0	0	0	0	112.9
7	P	30.2	Very low	29.4	Very low	114 Å²	114	137.4 Å²	137.4	74%	0.74	85%	0.853	S	S	*	*				-145.1	151.5	126.4	36	-19.7	0	0	0	116.4
8	S	28.5	Very low	29.2	Very low	114 Å²	114	133.7 Å²	133.7	80%	0.797	85%	0.845	S	S	*	*			trans	52.8	111.7	140.2	67.4	0	0	0	0	121.4
9	A	31.9	Very low	29.3	Very low	106 Å²	106	136.7 Å²	136.7	88%	0.876	85%	0.848	S	S	*	*			trans	-103.6	132.7	151.8	0	0	0	0	0	109.4
10	E	30.6	Very low	29.6	Very low	191 Å²	191	135.8 Å²	135.8	89%	0.893	84%	0.843	S	S	*	*			trans	-71.3	143.6	-171.5	-69.2	167.9	133.1	0	0	113.6
11	A	27.4	Very low	29.8	Very low	102 Å²	102	134.2 Å²	134.2	84%	0.843	84%	0.838	S	S	*	*			trans	-98.8	113.5	173.1	0	0	0	0	0	109.8
12	N	28.5	Very low	30	Very low	165 Å²	165	129.2 Å²	129.2	88%	0.882	82%	0.821	S	S	*	*			trans	-114.3	129.2	164.1	-99.8	-31.3	0	0	0	110.4
13	K	25.3	Very low	30.3	Very low	194 Å²	194	132 Å²	132	84%	0.843	82%	0.821	S	S	*	*			trans	-70.9	147.9	175.5	-67.3	169.1	174	176.7	0	110.6
14	L	28.2	Very low	30.6	Very low	155 Å²	155	133.9 Å²	133.9	81%	0.812	82%	0.822	S	S	*	*				176.4	117.1	125	-93	149.4	0	0	0	112.7
15	T	28.5	Very low	30.8	Very low	123 Å²	123	130.5 Å²	130.5	76%	0.755	81%	0.812	S	S	*	*			trans	62.5	115.5	141	54.4	0	0	0	0	122.9
16	S	25.6	Very low	31.4	Very low	123 Å²	123	132.6 Å²	132.6	86%	0.86	81%	0.813	S	S	*	*			trans	-53.4	128.5	155.7	50.6	0	0	0	0	115.2
17	G	28	Very low	32.2	Very low	83 Å²	83	139.2 Å²	139.2	86%	0.856	82%	0.817	S	S	*	*			trans	-126.7	115.4	152.6	0	0	0	0	0	108.3
18	G	26.6	Very low	32.8	Very low	70 Å²	70	143.5 Å²	143.5	72%	0.722	82%	0.824	S	S	*	*			trans	-105	139.5	-178.7	0	0	0	0	0	112.9
19	H	31	Very low	33.6	Very low	192 Å²	192	142.4 Å²	142.4	89%	0.889	82%	0.822	S	S	*	*				-166.2	145.8	127.4	-120.6	-89.2	0	0	0	108.8
20	P	35.4	Very low	34.1	Very low	117 Å²	117	148.5 Å²	148.5	76%	0.76	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-92.9	134.7	-157.2	34.2	-29.1	0	0	0	113.3
21	S	34.9	Very low	34.5	Very low	104 Å²	104	151.6 Å²	151.6	73%	0.727	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-88.1	132.6	173.2	55.9	0	0	0	0	112.1	Q23	S21-Q23 PolarHBondContact O-N 3.36Å
22	V	36.4	Very low	35.4	Very low	144 Å²	144	150.1 Å²	150.1	87%	0.873	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-52.1	116.8	169.7	178	0	0	0	0	110.9
23	Q	37.8	Very low	36.2	Very low	174 Å²	174	146.5 Å²	146.5	81%	0.813	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-91	124.2	175.2	-75.4	-177.3	-4.1	0	0	111	S21	S21-Q23 PolarHBondContact O-N 3.36Å
24	N	37.5	Very low	37.2	Very low	148 Å²	148	145.2 Å²	145.2	79%	0.791	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-55.8	144	173.4	-97	-33.5	0	0	0	112.8	I26	N24-I26 PolarHBondContact O-N 2.94Å
25	P	39.4	Very low	38.1	Very low	117 Å²	117	149.1 Å²	149.1	76%	0.76	82%	0.819	S	S	*	*			trans	-71.5	114.9	-176.9	26.9	-31.3	0	0	0	111.7	R27	P25-R27 PolarHBondContact O-N 3.2Å
26	I	42.5	Very low	39.4	Very low	151 Å²	151	148.8 Å²	148.8	77%	0.774	81%	0.809	S	S	*	*			trans	-63.4	115.3	173.3	-63.5	167.6	0	0	0	108.4	N24 F28	N24-I26 PolarHBondContact O-N 2.94Å; I26-F28 PolarHBondContact O-N 3.41Å
27	R	42.5	Very low	41.1	Very low	237 Å²	237	151.5 Å²	151.5	89%	0.894	81%	0.805	S	S	*	*			trans	-51.7	119.7	172.7	-77.1	178.4	168.3	176.4	-3.5	109.9	P25 A29	P25-R27 PolarHBondContact O-N 3.2Å; R27-A29 PolarHBondContact O-N 2.74Å
28	F	42.2	Very low	43.3	Very low	204 Å²	204	154 Å²	154	90%	0.895	80%	0.799	S	S	*	*			trans	-60.5	92.1	171.3	-78.4	-95.8	0	0	0	110.7	I26 R30	I26-F28 PolarHBondContact O-N 3.41Å; F28-R30 PolarHBondContact O-N 2.78Å
29	A	45.7	Very low	46.2	Very low	91 Å²	91	152.4 Å²	152.4	75%	0.752	78%	0.775	S	S	*	*			trans	-73.8	110	161.6	0	0	0	0	0	107.9	R27 R31	R27-A29 PolarHBondContact O-N 2.74Å; A29-R31 PolarHBondContact O-N 3.3Å
30	R	41.7	Very low	49.1	Very low	234 Å²	234	145.1 Å²	145.1	88%	0.883	75%	0.746	S	S	*	*			trans	-62.3	101.9	176.6	-69	-177	-174.5	176.2	1.6	109.8	F28 G32	F28-R30 PolarHBondContact O-N 2.78Å; R30-G32 PolarHBondContact O-N 3.45Å
31	R	40.2	Very low	51.8	Low	256 Å²	256	147.5 Å²	147.5	97%	0.966	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.1	109.3	162.9	-78.2	-180	174.2	176.4	-1.8	107.6	A29	A29-R31 PolarHBondContact O-N 3.3Å
32	G	46.2	Very low	54.4	Low	71 Å²	71	143.8 Å²	143.8	73%	0.732	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	146.2	2.8	-178.3	0	0	0	0	0	115.5	R30 L34	R30-G32 PolarHBondContact O-N 3.45Å; G32-L34 VanDerWaalsContact C-N 3.35Å; G32-L34 PolarHBondContact O-N 3.33Å
33	A	45.4	Very low	56.8	Low	89 Å²	89	141 Å²	141	74%	0.736	69%	0.69	S	S	*	*			trans	-62.9	97	170.3	0	0	0	0	0	109.7	R35	A33-R35 PolarHBondContact O-N 3.45Å
34	L	45	Very low	59.2	Low	167 Å²	167	134.6 Å²	134.6	87%	0.874	67%	0.67	S	S	*	*			trans	-55.9	107.5	167.4	-129.9	108.1	0	0	0	106.5	G32 E36	G32-L34 VanDerWaalsContact C-N 3.35Å; G32-L34 PolarHBondContact O-N 3.33Å; L34-E36 VanDerWaalsContact C-N 3.35Å; L34-E36 PolarHBondContact O-N 2.79Å
35	R	47.4	Very low	61.8	Low	237 Å²	237	127.6 Å²	127.6	89%	0.894	63%	0.633	S	S	*	*			trans	-66	102.6	168	-78.9	-176.2	174.5	174.2	-1.8	106.5	A33 K37	A33-R35 PolarHBondContact O-N 3.45Å; R35-K37 PolarHBondContact O-N 3.33Å; R35-K37 VanDerWaalsContact O-N 3.16Å
36	E	55.2	Low	64.4	Low	115 Å²	115	124.4 Å²	124.4	54%	0.537	61%	0.608	S	S	.	*			trans	-60	115.8	176.7	-163	171.6	-158.9	0	0	108.4	L34 K76	L34-E36 VanDerWaalsContact C-N 3.35Å; L34-E36 PolarHBondContact O-N 2.79Å; E36-K76 WeakPolarHBondContact OE2-CE 3.37Å; E36-K76 IonicContact OE2-NZ 2.67Å; E36-K76 PolarHBondContact OE2-NZ 3.25Å
37	K	61.2	Low	66.9	Low	181 Å²	181	117.3 Å²	117.3	79%	0.787	57%	0.571	S	S	*	*	S	Bend	trans	-74	147.3	-179	-66.8	180	178	179.4	0	109.3	R35	R35-K37 PolarHBondContact O-N 3.33Å; R35-K37 VanDerWaalsContact O-N 3.16Å
38	N	75.8	Confident	69.3	Low	135 Å²	135	107 Å²	107	72%	0.722	54%	0.535	S	S	*	.			trans	77.9	40.6	174.4	-46.4	-35.7	0	0	0	116.5
39	V	87.6	Confident	71.7	Confident	37 Å²	37	99.6 Å²	99.6	22%	0.224	51%	0.511	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	126.5	167.4	-178.8	0	0	0	0	109.9	Y41 E46 F47 V48	V39-Y41 HydrophobicContact CB-CE2 4.2Å; V39-Y41 HydrophobicContact CG1-CD2 4.13Å; V39-Y41 HydrophobicContact CG1-CE1 4.27Å; V39-Y41 HydrophobicContact CG1-CE2 3.56Å; V39-E46 HydrophobicContact CG1-CB 4.42Å; V39-E46 HydrophobicContact CG1-CG 3.16Å; V39-F47 WeakPolarHBondContact CA-O 3.4Å; V39-V48 HydrophobicContact CB-CG1 4.4Å; V39-V48 HydrophobicContact CG1-CG1 4.45Å; V39-V48 HydrophobicContact CG2-CG1 3.76Å
40	S	91.1	Very high	73.7	Confident	38 Å²	38	101 Å²	101	27%	0.266	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	126.4	174.5	-59.1	0	0	0	0	110.8	F47	S40-F47 PolarHBondContact N-O 2.67Å; S40-F47 PolarHBondContact O-N 3.16Å
41	Y	91.7	Very high	75.9	Confident	168 Å²	168	95.4 Å²	95.4	66%	0.659	48%	0.479	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.3	120.8	-179.5	-67.5	-87.9	0	0	0	111.2	V39 H45 E46	V39-Y41 HydrophobicContact CB-CE2 4.2Å; V39-Y41 HydrophobicContact CG1-CD2 4.13Å; V39-Y41 HydrophobicContact CG1-CE1 4.27Å; V39-Y41 HydrophobicContact CG1-CE2 3.56Å; Y41-H45 VanDerWaalsContact CA-O 3.3Å; Y41-H45 WeakPolarHBondContact CA-O 3.25Å; Y41-E46 HydrophobicContact CD1-CG 4.47Å; Y41-E46 HydrophobicContact CE1-CB 4.16Å; Y41-E46 HydrophobicContact CE1-CG 3.82Å
42	V	89.3	Confident	78.2	Confident	25 Å²	25	84 Å²	84	15%	0.152	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	117.8	178	-179.7	0	0	0	0	109.3	G44 H45 F47 Y87	V42-G44 VanDerWaalsContact C-N 3.28Å; V42-G44 PolarHBondContact O-N 3.04Å; V42-G44 VanDerWaalsContact O-N 3.17Å; V42-H45 PolarHBondContact N-O 3.34Å; V42-H45 VanDerWaalsContact N-O 3.08Å; V42-H45 WeakPolarHBondContact O-CA 2.95Å; V42-H45 WeakPolarHBondContact O-CB 3.41Å; V42-H45 PolarHBondContact O-CD2 3.32Å; V42-H45 PolarHBondContact O-N 3.5Å; V42-F47 HydrophobicContact CB-CD2 4.33Å; V42-F47 HydrophobicContact CB-CE2 4.19Å; V42-F47 HydrophobicContact CG2-CD2 4.47Å; V42-Y87 HydrophobicContact CG2-CD2 3.71Å; V42-Y87 HydrophobicContact CG2-CE2 3.96Å
43	K	86.6	Confident	80	Confident	87 Å²	87	90 Å²	90	38%	0.378	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.8	48.7	178.2	-55.3	-165.8	-174	-151.2	0	113.5	H45 V90 T91 F92 Q93 C94	K43-H45 PolarHBondContact O-CD2 2.93Å; K43-H45 PolarHBondContact O-N 2.87Å; K43-V90 WeakPolarHBondContact CD-O 3.31Å; K43-V90 WeakPolarHBondContact CE-O 3.37Å; K43-T91 WeakPolarHBondContact CD-O 3.43Å; K43-T91 WeakPolarHBondContact CE-O 3.44Å; K43-T91 PolarHBondContact NZ-O 3.42Å; K43-F92 WeakPolarHBondContact CB-O 3.47Å; K43-Q93 WeakPolarHBondContact O-CA 3.38Å; K43-Q93 PolarHBondContact O-NE2 3.07Å; K43-Q93 PolarHBondContact O-OE1 3.36Å; K43-C94 PolarHBondContact O-N 2.64Å
44	G	89.3	Confident	81.9	Confident	39 Å²	39	90.5 Å²	90.5	40%	0.402	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	73	-1.8	-176.8	0	0	0	0	0	116.1	V42 C94	V42-G44 VanDerWaalsContact C-N 3.28Å; V42-G44 PolarHBondContact O-N 3.04Å; V42-G44 VanDerWaalsContact O-N 3.17Å; G44-C94 VanDerWaalsContact O-CB 3.26Å; G44-C94 WeakPolarHBondContact O-CB 3.27Å
45	H	92.3	Very high	84	Confident	0 Å²	0	89.3 Å²	89.3	0%	0	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	133.1	171.1	-68	-101	0	0	0	110.5	Y41 V42 K43 F47 C75 C78 F92 C94	Y41-H45 VanDerWaalsContact CA-O 3.3Å; Y41-H45 WeakPolarHBondContact CA-O 3.25Å; V42-H45 PolarHBondContact N-O 3.34Å; V42-H45 VanDerWaalsContact N-O 3.08Å; V42-H45 WeakPolarHBondContact O-CA 2.95Å; V42-H45 WeakPolarHBondContact O-CB 3.41Å; V42-H45 PolarHBondContact O-CD2 3.32Å; V42-H45 PolarHBondContact O-N 3.5Å; K43-H45 PolarHBondContact O-CD2 2.93Å; K43-H45 PolarHBondContact O-N 2.87Å; H45-F47 HydrophobicContact CB-CD2 3.68Å; H45-F47 HydrophobicContact CB-CE1 4.48Å; H45-F47 HydrophobicContact CB-CE2 3.26Å; H45-F47 HydrophobicContact CB-CG 4.45Å; H45-F47 HydrophobicContact CB-CZ 3.71Å; H45-F47 AromaticContact CG-CE2 3.76Å; H45-F47 AromaticContact CG-CZ 3.79Å; H45-F47 AromaticContact ND1-CZ 3.78Å; H45-C75 HydrophobicContact CB-CB 4.14Å; H45-C78 PolarHBondContact CE1-SG 3.47Å; H45-C78 PolarHBondContact ND1-SG 3.33Å; H45-C78 VanDerWaalsContact ND1-SG 3.35Å; H45-F92 AromaticContact CE1-CE2 3.52Å; H45-F92 AromaticContact NE2-CD2 3.71Å; H45-F92 AromaticContact NE2-CE2 3.42Å; H45-F92 WeakPolarHBondContact NE2-CE2 3.12Å; H45-F92 PolarHBondContact NE2-O 3.33Å; H45-C94 HydrophobicContact CB-CB 4.35Å; H45-C94 VanDerWaalsContact NE2-CA 3.29Å; H45-C94 WeakPolarHBondContact NE2-CA 3.42Å; H45-C94 PolarHBondContact NE2-N 3.46Å
46	E	93.7	Very high	86.2	Confident	51 Å²	51	78.1 Å²	78.1	24%	0.238	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	84.9	171.1	-169.6	-170.4	161.3	0	0	109.3	V39 Y41 C75 K76	V39-E46 HydrophobicContact CG1-CB 4.42Å; V39-E46 HydrophobicContact CG1-CG 3.16Å; Y41-E46 HydrophobicContact CD1-CG 4.47Å; Y41-E46 HydrophobicContact CE1-CB 4.16Å; Y41-E46 HydrophobicContact CE1-CG 3.82Å; E46-C75 PolarHBondContact N-SG 2.75Å; E46-C75 CarbonylContact O-C 3.55Å; E46-C75 VanDerWaalsContact O-CA 3.26Å; E46-C75 WeakPolarHBondContact O-CA 3.34Å; E46-K76 HydrophobicContact CB-CB 4.44Å; E46-K76 HydrophobicContact CG-CD 4.42Å; E46-K76 PolarHBondContact O-N 2.91Å; E46-K76 WeakPolarHBondContact OE1-CD 3.37Å; E46-K76 WeakPolarHBondContact OE1-CE 3.19Å; E46-K76 IonicContact OE1-NZ 2.76Å; E46-K76 PolarHBondContact OE1-NZ 3.18Å
47	F	95.1	Very high	88	Confident	1 Å²	1	76 Å²	76	0%	0.004	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	126.6	-178.1	-72.8	-71.8	0	0	0	111.7	V39 S40 V42 H45 V73 C75 F80 V82 Y87 V90	V39-F47 WeakPolarHBondContact CA-O 3.4Å; S40-F47 PolarHBondContact N-O 2.67Å; S40-F47 PolarHBondContact O-N 3.16Å; V42-F47 HydrophobicContact CB-CD2 4.33Å; V42-F47 HydrophobicContact CB-CE2 4.19Å; V42-F47 HydrophobicContact CG2-CD2 4.47Å; H45-F47 HydrophobicContact CB-CD2 3.68Å; H45-F47 HydrophobicContact CB-CE1 4.48Å; H45-F47 HydrophobicContact CB-CE2 3.26Å; H45-F47 HydrophobicContact CB-CG 4.45Å; H45-F47 HydrophobicContact CB-CZ 3.71Å; H45-F47 AromaticContact CG-CE2 3.76Å; H45-F47 AromaticContact CG-CZ 3.79Å; H45-F47 AromaticContact ND1-CZ 3.78Å; F47-V73 HydrophobicContact CB-CB 4.24Å; F47-V73 HydrophobicContact CB-CG2 4.2Å; F47-V73 HydrophobicContact CD1-CB 4.38Å; F47-V73 HydrophobicContact CD1-CG2 3.86Å; F47-V73 HydrophobicContact CG-CG2 4.21Å; F47-C75 HydrophobicContact CD1-CB 4.04Å; F47-C75 HydrophobicContact CE1-CB 3.88Å; F47-C75 HydrophobicContact CZ-CB 4.41Å; F47-F80 HydrophobicContact CE1-CD1 4.3Å; F47-F80 HydrophobicContact CZ-CD1 4.17Å; F47-V82 HydrophobicContact CD1-CG2 4.44Å; F47-V82 HydrophobicContact CE1-CG2 3.98Å; F47-V82 HydrophobicContact CZ-CG2 4.45Å; F47-Y87 HydrophobicContact CD2-CD2 4.13Å; F47-Y87 HydrophobicContact CD2-CG 4.48Å; F47-V90 HydrophobicContact CE2-CG2 4.46Å; F47-V90 HydrophobicContact CZ-CG2 4.08Å
48	V	93.5	Very high	89.6	Confident	21 Å²	21	67.5 Å²	67.5	13%	0.127	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	144	172	-71.2	0	0	0	0	111.9	V39 R50 V73 Q74 K76	V39-V48 HydrophobicContact CB-CG1 4.4Å; V39-V48 HydrophobicContact CG1-CG1 4.45Å; V39-V48 HydrophobicContact CG2-CG1 3.76Å; V48-R50 PolarHBondContact O-N 3.46Å; V48-V73 CarbonylContact O-C 3.54Å; V48-V73 VanDerWaalsContact O-CA 3.23Å; V48-V73 WeakPolarHBondContact O-CA 3.21Å; V48-Q74 WeakPolarHBondContact CG2-O 3.45Å; V48-Q74 PolarHBondContact N-O 3.46Å; V48-Q74 PolarHBondContact O-N 3.11Å; V48-K76 HydrophobicContact CG1-CD 4.39Å; V48-K76 HydrophobicContact CG1-CG 4.31Å; V48-K76 HydrophobicContact CG2-CG 3.83Å
49	A	91.8	Very high	90.4	Very high	48 Å²	48	61.1 Å²	61.1	40%	0.397	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	127	173.9	0	0	0	0	0	109.9	I70	A49-I70 HydrophobicContact CB-CD1 4.28Å; A49-I70 HydrophobicContact CB-CG2 3.73Å
50	R	88.1	Confident	90.7	Very high	122 Å²	122	59.5 Å²	59.5	46%	0.46	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	132.3	-175.6	-169.3	169.1	176.5	138.8	4.7	111.3	V48 L52 I70 G72 Q74	V48-R50 PolarHBondContact O-N 3.46Å; R50-L52 HydrophobicContact CB-CD2 4.31Å; R50-L52 HydrophobicContact CG-CD2 4.04Å; R50-L52 PolarHBondContact O-N 2.9Å; R50-I70 WeakPolarHBondContact O-CG2 3.4Å; R50-G72 PolarHBondContact N-O 2.85Å; R50-Q74 HydrophobicContact CB-CB 4.46Å; R50-Q74 VanDerWaalsContact CZ-OE1 3.23Å
51	F	87.9	Confident	90.8	Very high	115 Å²	115	57.9 Å²	57.9	50%	0.504	27%	0.273	S	S	.	.			trans	-75.5	113.8	163.1	-174.5	-98.1	0	0	0	109	K53 G69	F51-K53 HydrophobicContact CD1-CG 4.1Å; F51-K53 HydrophobicContact CE1-CG 4.28Å; F51-G69 WeakPolarHBondContact CD2-O 3.39Å; F51-G69 WeakPolarHBondContact CE2-O 3.25Å
52	L	87.6	Confident	90.8	Very high	18 Å²	18	51.8 Å²	51.8	9%	0.094	25%	0.25	C	S	.	.			trans	-90.8	109.4	-177.6	-59.1	174	0	0	0	108.6	R50 Q54 T56 I65 T81	R50-L52 HydrophobicContact CB-CD2 4.31Å; R50-L52 HydrophobicContact CG-CD2 4.04Å; R50-L52 PolarHBondContact O-N 2.9Å; L52-Q54 PolarHBondContact O-N 3.12Å; L52-T56 HydrophobicContact CD1-CG2 4.05Å; L52-I65 HydrophobicContact CD1-CB 4.05Å; L52-I65 HydrophobicContact CD1-CD1 3.84Å; L52-I65 HydrophobicContact CD1-CG2 3.76Å; L52-T81 HydrophobicContact CD1-CG2 4.06Å; L52-T81 HydrophobicContact CD2-CG2 3.94Å
53	K	84.5	Confident	90.9	Very high	196 Å²	196	53.4 Å²	53.4	85%	0.852	26%	0.258	S	S	*	.			trans	-72.6	-9.4	-174.4	-61.2	-172.5	177.9	-174.4	0	114.7	F51	F51-K53 HydrophobicContact CD1-CG 4.1Å; F51-K53 HydrophobicContact CE1-CG 4.28Å
54	Q	86	Confident	91.2	Very high	100 Å²	100	52.7 Å²	52.7	47%	0.467	26%	0.255	S	S	.	.	S	Bend	trans	-141.6	162.2	-174.5	67.1	-174.3	-20	0	0	110.5	L52 T56 S127	L52-Q54 PolarHBondContact O-N 3.12Å; Q54-T56 PolarHBondContact O-N 2.82Å; Q54-T56 VanDerWaalsContact O-N 3.09Å; Q54-T56 PolarHBondContact O-OG1 2.91Å; Q54-S127 PolarHBondContact NE2-OG 2.86Å
55	F	88.5	Confident	91.2	Very high	142 Å²	142	51.1 Å²	51.1	62%	0.623	24%	0.237	S	C	*	.			trans	-51.9	118.2	171.6	-68	-75.9	0	0	0	110.2	F64 F121	F55-F64 HydrophobicContact CB-CE2 4.12Å; F55-F64 HydrophobicContact CD1-CD2 4.29Å; F55-F64 HydrophobicContact CD1-CE1 4.02Å; F55-F64 AromaticContact CD1-CE2 3.5Å; F55-F64 HydrophobicContact CD1-CE2 3.5Å; F55-F64 AromaticContact CD1-CZ 3.33Å; F55-F64 HydrophobicContact CD1-CZ 3.33Å; F55-F64 HydrophobicContact CE1-CE1 4.17Å; F55-F64 HydrophobicContact CE1-CE2 4.39Å; F55-F64 AromaticContact CE1-CZ 3.78Å; F55-F64 HydrophobicContact CE1-CZ 3.78Å; F55-F64 HydrophobicContact CG-CE2 4.28Å; F55-F64 HydrophobicContact CG-CZ 4.43Å; F55-F121 HydrophobicContact CB-CE1 4.32Å
56	T	92.6	Very high	90.8	Very high	2 Å²	2	59.1 Å²	59.1	1%	0.012	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-135.9	128.5	-173.2	-56.5	0	0	0	0	109.2	L52 Q54 F64 I65 T81 G126	L52-T56 HydrophobicContact CD1-CG2 4.05Å; Q54-T56 PolarHBondContact O-N 2.82Å; Q54-T56 VanDerWaalsContact O-N 3.09Å; Q54-T56 PolarHBondContact O-OG1 2.91Å; T56-F64 WeakPolarHBondContact O-CD2 3.29Å; T56-I65 HydrophobicContact CG2-CD1 4.21Å; T56-I65 WeakPolarHBondContact O-CB 3.49Å; T56-I65 WeakPolarHBondContact O-CG1 3.41Å; T56-I65 PolarHBondContact O-N 3.43Å; T56-T81 HydrophobicContact CG2-CG2 3.94Å; T56-G126 WeakPolarHBondContact CA-O 3.42Å
57	F	93.9	Very high	90	Very high	71 Å²	71	58.5 Å²	58.5	31%	0.311	28%	0.275	S	S	.	.	B	Isolated β-bridge	trans	-92.9	147.8	175.9	-70.8	-92.4	0	0	0	111.4	K62 D63 F64 F121 G126	F57-K62 WeakPolarHBondContact CD1-O 3.17Å; F57-D63 WeakPolarHBondContact CA-O 3.27Å; F57-F64 HydrophobicContact CD1-CB 4.22Å; F57-F64 HydrophobicContact CE1-CB 3.96Å; F57-F121 HydrophobicContact CD2-CB 4.16Å; F57-F121 AromaticContact CD2-CD1 3.73Å; F57-F121 HydrophobicContact CD2-CD1 3.73Å; F57-F121 HydrophobicContact CD2-CD2 4.08Å; F57-F121 HydrophobicContact CD2-CE1 4.13Å; F57-F121 HydrophobicContact CD2-CE2 4.46Å; F57-F121 AromaticContact CD2-CG 3.71Å; F57-F121 HydrophobicContact CD2-CG 3.71Å; F57-F121 HydrophobicContact CD2-CZ 4.48Å; F57-F121 AromaticContact CE2-CD1 3.88Å; F57-F121 HydrophobicContact CE2-CD1 3.88Å; F57-F121 AromaticContact CE2-CD2 3.74Å; F57-F121 HydrophobicContact CE2-CD2 3.74Å; F57-F121 AromaticContact CE2-CE1 3.86Å; F57-F121 HydrophobicContact CE2-CE1 3.86Å; F57-F121 AromaticContact CE2-CE2 3.73Å; F57-F121 HydrophobicContact CE2-CE2 3.73Å; F57-F121 AromaticContact CE2-CG 3.83Å; F57-F121 HydrophobicContact CE2-CG 3.83Å; F57-F121 AromaticContact CE2-CZ 3.8Å; F57-F121 HydrophobicContact CE2-CZ 3.8Å; F57-G126 PolarHBondContact N-O 2.91Å; F57-G126 WeakPolarHBondContact O-CA 3.49Å
58	C	94.7	Very high	89	Confident	1 Å²	1	67 Å²	67	1%	0.007	32%	0.319	C	S	.	.			trans	-72.6	129.4	176.6	174.3	0	0	0	0	111.1	H60 C61 K62 D63 I65 V82 H83	C58-H60 PolarHBondContact O-N 2.9Å; C58-H60 PolarHBondContact SG-N 2.88Å; C58-C61 PolarHBondContact SG-N 3.01Å; C58-K62 WeakPolarHBondContact O-CA 3.48Å; C58-K62 PolarHBondContact O-N 2.57Å; C58-D63 PolarHBondContact N-O 2.83Å; C58-I65 HydrophobicContact CB-CD1 4.18Å; C58-I65 HydrophobicContact CB-CG1 3.93Å; C58-V82 VanDerWaalsContact SG-CA 3.57Å; C58-H83 WeakPolarHBondContact CB-CE1 3.49Å; C58-H83 WeakPolarHBondContact CB-ND1 3.24Å; C58-H83 PolarHBondContact SG-ND1 3Å; C58-H83 VanDerWaalsContact SG-ND1 3.37Å
59	G	92.6	Very high	88.4	Confident	1 Å²	1	67.9 Å²	67.9	1%	0.01	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-20.8	176.1	0	0	0	0	0	114.4	K62 T81	G59-K62 WeakPolarHBondContact O-CE 3.31Å; G59-T81 PolarHBondContact N-O 3.22Å
60	H	93.4	Very high	87.9	Confident	3 Å²	3	69.4 Å²	69.4	1%	0.014	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-61.1	-176.7	175.2	72.7	0	0	0	113.6	C58 V82 C86 L89 T163 E164	C58-H60 PolarHBondContact O-N 2.9Å; C58-H60 PolarHBondContact SG-N 2.88Å; H60-V82 HydrophobicContact CB-CG1 3.98Å; H60-C86 HydrophobicContact CB-CB 4.12Å; H60-L89 PolarHBondContact CE1-O 2.82Å; H60-L89 WeakPolarHBondContact NE2-CB 3.46Å; H60-T163 CarbonylContact O-C 3.58Å; H60-T163 VanDerWaalsContact O-CA 3.24Å; H60-T163 WeakPolarHBondContact O-CA 3.32Å; H60-T163 WeakPolarHBondContact O-CB 3.3Å; H60-E164 IonicContact CE1-OE2 2.68Å; H60-E164 IonicContact NE2-OE2 3.76Å; H60-E164 PolarHBondContact O-N 3.11Å
61	C	93.5	Very high	87.6	Confident	4 Å²	4	65 Å²	65	3%	0.027	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-6.8	179.2	75.2	0	0	0	0	113.5	C58 D63 H83 E164 R165	C58-C61 PolarHBondContact SG-N 3.01Å; C61-D63 PolarHBondContact O-N 2.84Å; C61-D63 VanDerWaalsContact O-N 3.08Å; C61-D63 PolarHBondContact SG-OD2 3.39Å; C61-D63 VanDerWaalsContact SG-OD2 3.39Å; C61-H83 PolarHBondContact SG-CE1 3.49Å; C61-H83 PolarHBondContact SG-ND1 2.8Å; C61-H83 VanDerWaalsContact SG-ND1 3.37Å; C61-E164 WeakPolarHBondContact CA-O 3.35Å; C61-E164 WeakPolarHBondContact CB-O 3.2Å; C61-R165 WeakPolarHBondContact O-CA 3.41Å
62	K	92.4	Very high	87.8	Confident	41 Å²	41	59.6 Å²	59.6	18%	0.178	30%	0.295	C	S	.	.			trans	63.8	5.5	-179.4	-56.8	-66.6	-176.3	168.9	0	115.7	F57 C58 G59 D123 T163 R165	F57-K62 WeakPolarHBondContact CD1-O 3.17Å; C58-K62 WeakPolarHBondContact O-CA 3.48Å; C58-K62 PolarHBondContact O-N 2.57Å; G59-K62 WeakPolarHBondContact O-CE 3.31Å; K62-D123 PolarHBondContact NZ-O 2.82Å; K62-D123 VanDerWaalsContact NZ-O 3.08Å; K62-D123 IonicContact NZ-OD1 2.92Å; K62-D123 PolarHBondContact NZ-OD1 3.1Å; K62-T163 HydrophobicContact CD-CG2 4.36Å; K62-T163 HydrophobicContact CG-CG2 4.15Å; K62-R165 HydrophobicContact CB-CG 4.34Å; K62-R165 HydrophobicContact CG-CG 4.35Å
63	D	91.8	Very high	88.1	Confident	59 Å²	59	59.3 Å²	59.3	32%	0.316	29%	0.293	S	S	.	.	S	Bend	trans	-81.2	160.9	171.1	-60.2	-43.5	0	0	0	113	F57 C58 C61 H83	F57-D63 WeakPolarHBondContact CA-O 3.27Å; C58-D63 PolarHBondContact N-O 2.83Å; C61-D63 PolarHBondContact O-N 2.84Å; C61-D63 VanDerWaalsContact O-N 3.08Å; C61-D63 PolarHBondContact SG-OD2 3.39Å; C61-D63 VanDerWaalsContact SG-OD2 3.39Å; D63-H83 PolarHBondContact O-CE1 3.26Å
64	F	91.3	Very high	88.5	Confident	72 Å²	72	50.7 Å²	50.7	32%	0.316	26%	0.256	S	S	.	.	B	Isolated β-bridge	trans	-63.9	133.7	174.8	177.6	-130.3	0	0	0	111.6	F55 T56 F57 W66 H83	F55-F64 HydrophobicContact CB-CE2 4.12Å; F55-F64 HydrophobicContact CD1-CD2 4.29Å; F55-F64 HydrophobicContact CD1-CE1 4.02Å; F55-F64 AromaticContact CD1-CE2 3.5Å; F55-F64 HydrophobicContact CD1-CE2 3.5Å; F55-F64 AromaticContact CD1-CZ 3.33Å; F55-F64 HydrophobicContact CD1-CZ 3.33Å; F55-F64 HydrophobicContact CE1-CE1 4.17Å; F55-F64 HydrophobicContact CE1-CE2 4.39Å; F55-F64 AromaticContact CE1-CZ 3.78Å; F55-F64 HydrophobicContact CE1-CZ 3.78Å; F55-F64 HydrophobicContact CG-CE2 4.28Å; F55-F64 HydrophobicContact CG-CZ 4.43Å; T56-F64 WeakPolarHBondContact O-CD2 3.29Å; F57-F64 HydrophobicContact CD1-CB 4.22Å; F57-F64 HydrophobicContact CE1-CB 3.96Å; F64-W66 HydrophobicContact CD1-CB 3.76Å; F64-W66 HydrophobicContact CE1-CB 3.52Å; F64-W66 HydrophobicContact CZ-CB 4.21Å; F64-W66 PolarHBondContact O-N 2.79Å; F64-H83 PolarHBondContact O-NE2 2.91Å
65	I	90.1	Very high	89	Confident	5 Å²	5	46 Å²	46	3%	0.026	23%	0.234	C	C	.	.			trans	-87.2	99.9	174.2	-53	175.3	0	0	0	108.4	L52 T56 C58 Q71 T81 H83	L52-I65 HydrophobicContact CD1-CB 4.05Å; L52-I65 HydrophobicContact CD1-CD1 3.84Å; L52-I65 HydrophobicContact CD1-CG2 3.76Å; T56-I65 HydrophobicContact CG2-CD1 4.21Å; T56-I65 WeakPolarHBondContact O-CB 3.49Å; T56-I65 WeakPolarHBondContact O-CG1 3.41Å; T56-I65 PolarHBondContact O-N 3.43Å; C58-I65 HydrophobicContact CB-CD1 4.18Å; C58-I65 HydrophobicContact CB-CG1 3.93Å; I65-Q71 HydrophobicContact CG2-CB 3.73Å; I65-Q71 WeakPolarHBondContact CG2-O 3.44Å; I65-T81 HydrophobicContact CD1-CG2 3.9Å; I65-H83 WeakPolarHBondContact CA-NE2 3.36Å
66	W	83.5	Confident	89.1	Confident	169 Å²	169	42.9 Å²	42.9	64%	0.64	22%	0.221	S	C	*	.			trans	-113.3	160.2	-179.3	70.5	-84.2	0	0	0	112	F64	F64-W66 HydrophobicContact CD1-CB 3.76Å; F64-W66 HydrophobicContact CE1-CB 3.52Å; F64-W66 HydrophobicContact CZ-CB 4.21Å; F64-W66 PolarHBondContact O-N 2.79Å
67	G	76.6	Confident	89.1	Confident	37 Å²	37	44.4 Å²	44.4	38%	0.381	23%	0.234	S	C	.	.			trans	147.3	161.4	177.4	0	0	0	0	0	113.1	Q71	G67-Q71 WeakPolarHBondContact O-CG 3.41Å; G67-Q71 PolarHBondContact O-NE2 2.93Å
68	L	75.4	Confident	89	Confident	179 Å²	179	41 Å²	41	94%	0.937	22%	0.219	S	C	*	.	S	Bend	trans	-81.9	139.4	170.7	-62.8	174.1	0	0	0	110
69	G	80.9	Confident	88.9	Confident	41 Å²	41	42.9 Å²	42.9	42%	0.423	23%	0.228	S	C	.	.	S	Bend	trans	69.4	-138	179.9	0	0	0	0	0	112.6	F51 Q71	F51-G69 WeakPolarHBondContact CD2-O 3.39Å; F51-G69 WeakPolarHBondContact CE2-O 3.25Å; G69-Q71 WeakPolarHBondContact O-CG 3.42Å; G69-Q71 PolarHBondContact O-N 2.91Å; G69-Q71 PolarHBondContact O-NE2 2.8Å; G69-Q71 PolarHBondContact O-OE1 2.83Å
70	I	79.7	Confident	89	Confident	79 Å²	79	42.9 Å²	42.9	41%	0.405	23%	0.228	S	C	.	.			trans	-72.6	111.5	-177.9	-60.2	169	0	0	0	110.2	A49 R50 K84	A49-I70 HydrophobicContact CB-CD1 4.28Å; A49-I70 HydrophobicContact CB-CG2 3.73Å; R50-I70 WeakPolarHBondContact O-CG2 3.4Å; I70-K84 WeakPolarHBondContact O-CE 3.5Å; I70-K84 PolarHBondContact O-NZ 3.47Å
71	Q	82.5	Confident	89.1	Confident	31 Å²	31	42.8 Å²	42.8	15%	0.145	23%	0.228	C	C	.	.			trans	-92	-34.1	-173.1	-49.6	88.6	-10.8	0	0	113.7	I65 G67 G69	I65-Q71 HydrophobicContact CG2-CB 3.73Å; I65-Q71 WeakPolarHBondContact CG2-O 3.44Å; G67-Q71 WeakPolarHBondContact O-CG 3.41Å; G67-Q71 PolarHBondContact O-NE2 2.93Å; G69-Q71 WeakPolarHBondContact O-CG 3.42Å; G69-Q71 PolarHBondContact O-N 2.91Å; G69-Q71 PolarHBondContact O-NE2 2.8Å; G69-Q71 PolarHBondContact O-OE1 2.83Å
72	G	91.5	Very high	89.1	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	-178.2	-172.1	0	0	0	0	0	113.8	R50 V82	R50-G72 PolarHBondContact N-O 2.85Å; G72-V82 WeakPolarHBondContact CA-O 3.2Å
73	V	94.2	Very high	89.2	Confident	12 Å²	12	41.4 Å²	41.4	7%	0.073	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	151	171	-59.2	0	0	0	0	109.9	F47 V48 V82 K84 Y87	F47-V73 HydrophobicContact CB-CB 4.24Å; F47-V73 HydrophobicContact CB-CG2 4.2Å; F47-V73 HydrophobicContact CD1-CB 4.38Å; F47-V73 HydrophobicContact CD1-CG2 3.86Å; F47-V73 HydrophobicContact CG-CG2 4.21Å; V48-V73 CarbonylContact O-C 3.54Å; V48-V73 VanDerWaalsContact O-CA 3.23Å; V48-V73 WeakPolarHBondContact O-CA 3.21Å; V73-V82 HydrophobicContact CG2-CG2 3.6Å; V73-V82 PolarHBondContact N-O 3.31Å; V73-V82 PolarHBondContact O-N 2.94Å; V73-K84 HydrophobicContact CG1-CG 4.15Å; V73-Y87 HydrophobicContact CG2-CD1 4.19Å; V73-Y87 HydrophobicContact CG2-CG 4.11Å
74	Q	94.1	Very high	89.2	Confident	16 Å²	16	43.9 Å²	43.9	8%	0.075	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	137.5	177.6	-169.5	179.5	49.6	0	0	110.8	V48 R50 K76 L79 F80 T81	V48-Q74 WeakPolarHBondContact CG2-O 3.45Å; V48-Q74 PolarHBondContact N-O 3.46Å; V48-Q74 PolarHBondContact O-N 3.11Å; R50-Q74 HydrophobicContact CB-CB 4.46Å; R50-Q74 VanDerWaalsContact CZ-OE1 3.23Å; Q74-K76 PolarHBondContact O-N 3.1Å; Q74-L79 PolarHBondContact NE2-O 3.34Å; Q74-F80 WeakPolarHBondContact CA-O 3.48Å; Q74-F80 WeakPolarHBondContact CG-O 3.33Å; Q74-T81 HydrophobicContact CB-CG2 4.4Å; Q74-T81 PolarHBondContact NE2-OG1 3.46Å
75	C	94.7	Very high	89.1	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	128.3	173.9	176.9	0	0	0	0	110.6	H45 E46 F47 A77 L79 F80	H45-C75 HydrophobicContact CB-CB 4.14Å; E46-C75 PolarHBondContact N-SG 2.75Å; E46-C75 CarbonylContact O-C 3.55Å; E46-C75 VanDerWaalsContact O-CA 3.26Å; E46-C75 WeakPolarHBondContact O-CA 3.34Å; F47-C75 HydrophobicContact CD1-CB 4.04Å; F47-C75 HydrophobicContact CE1-CB 3.88Å; F47-C75 HydrophobicContact CZ-CB 4.41Å; C75-A77 PolarHBondContact O-N 3.03Å; C75-L79 WeakPolarHBondContact O-CA 3.45Å; C75-L79 PolarHBondContact O-N 2.88Å; C75-F80 HydrophobicContact CB-CB 4.47Å; C75-F80 PolarHBondContact N-O 3.49Å
76	K	92.4	Very high	89.3	Confident	77 Å²	77	44.3 Å²	44.3	34%	0.335	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-39.9	178.4	-69.9	-166.6	-173.9	154.2	0	113.4	E36 E46 V48 Q74	E36-K76 WeakPolarHBondContact OE2-CE 3.37Å; E36-K76 IonicContact OE2-NZ 2.67Å; E36-K76 PolarHBondContact OE2-NZ 3.25Å; E46-K76 HydrophobicContact CB-CB 4.44Å; E46-K76 HydrophobicContact CG-CD 4.42Å; E46-K76 PolarHBondContact O-N 2.91Å; E46-K76 WeakPolarHBondContact OE1-CD 3.37Å; E46-K76 WeakPolarHBondContact OE1-CE 3.19Å; E46-K76 IonicContact OE1-NZ 2.76Å; E46-K76 PolarHBondContact OE1-NZ 3.18Å; V48-K76 HydrophobicContact CG1-CD 4.39Å; V48-K76 HydrophobicContact CG1-CG 4.31Å; V48-K76 HydrophobicContact CG2-CG 3.83Å; Q74-K76 PolarHBondContact O-N 3.1Å
77	A	91.1	Very high	89.8	Confident	35 Å²	35	38.2 Å²	38.2	29%	0.289	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-61.2	-175.2	0	0	0	0	0	111.8	C75 K153	C75-A77 PolarHBondContact O-N 3.03Å; A77-K153 PolarHBondContact O-NZ 3.21Å
78	C	92	Very high	90.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-10.8	-173.3	68.6	0	0	0	0	114.3	H45 F80 H124 K153	H45-C78 PolarHBondContact CE1-SG 3.47Å; H45-C78 PolarHBondContact ND1-SG 3.33Å; H45-C78 VanDerWaalsContact ND1-SG 3.35Å; C78-F80 PolarHBondContact O-N 3.03Å; C78-F80 VanDerWaalsContact SG-CB 3.53Å; C78-H124 PolarHBondContact O-NE2 2.83Å; C78-K153 HydrophobicContact CB-CB 4.37Å; C78-K153 WeakPolarHBondContact O-CB 3.44Å; C78-K153 WeakPolarHBondContact O-CD 3.45Å
79	L	93	Very high	91.4	Very high	39 Å²	39	35.6 Å²	35.6	20%	0.204	18%	0.18	C	C	.	.			trans	66.9	15.1	-175.8	-47.6	175.8	0	0	0	115.2	Q74 C75 T81 K153	Q74-L79 PolarHBondContact NE2-O 3.34Å; C75-L79 WeakPolarHBondContact O-CA 3.45Å; C75-L79 PolarHBondContact O-N 2.88Å; L79-T81 PolarHBondContact O-N 2.82Å; L79-T81 PolarHBondContact O-OG1 2.98Å; L79-K153 HydrophobicContact CD1-CD 4.15Å; L79-K153 HydrophobicContact CG-CD 4.2Å
80	F	94.4	Very high	91.9	Very high	1 Å²	1	33.8 Å²	33.8	0%	0.004	16%	0.16	C	C	.	.			trans	-63.7	124	173.6	-169.9	-117.7	0	0	0	110	F47 Q74 C75 C78 V82 V90 F92 H124	F47-F80 HydrophobicContact CE1-CD1 4.3Å; F47-F80 HydrophobicContact CZ-CD1 4.17Å; Q74-F80 WeakPolarHBondContact CA-O 3.48Å; Q74-F80 WeakPolarHBondContact CG-O 3.33Å; C75-F80 HydrophobicContact CB-CB 4.47Å; C75-F80 PolarHBondContact N-O 3.49Å; C78-F80 PolarHBondContact O-N 3.03Å; C78-F80 VanDerWaalsContact SG-CB 3.53Å; F80-V82 HydrophobicContact CD1-CG1 3.81Å; F80-V82 HydrophobicContact CE1-CG1 3.35Å; F80-V82 HydrophobicContact CZ-CG1 3.93Å; F80-V90 HydrophobicContact CD1-CG2 4.36Å; F80-V90 HydrophobicContact CE1-CG1 4.17Å; F80-V90 HydrophobicContact CE1-CG2 3.81Å; F80-F92 HydrophobicContact CD1-CE1 4.49Å; F80-F92 AromaticContact CD1-CZ 3.89Å; F80-F92 HydrophobicContact CD1-CZ 3.89Å; F80-F92 HydrophobicContact CD2-CZ 4.02Å; F80-F92 AromaticContact CE1-CE1 3.92Å; F80-F92 HydrophobicContact CE1-CE1 3.92Å; F80-F92 AromaticContact CE1-CZ 3.76Å; F80-F92 HydrophobicContact CE1-CZ 3.76Å; F80-F92 HydrophobicContact CE2-CE1 4.25Å; F80-F92 AromaticContact CE2-CZ 3.91Å; F80-F92 HydrophobicContact CE2-CZ 3.91Å; F80-F92 HydrophobicContact CG-CZ 4.02Å; F80-F92 AromaticContact CZ-CE1 3.79Å; F80-F92 HydrophobicContact CZ-CE1 3.79Å; F80-F92 AromaticContact CZ-CZ 3.78Å; F80-F92 HydrophobicContact CZ-CZ 3.78Å; F80-H124 AromaticContact CD2-CE1 3.9Å; F80-H124 AromaticContact CD2-ND1 3.61Å; F80-H124 VanDerWaalsContact CD2-O 3.26Å; F80-H124 WeakPolarHBondContact CD2-O 3.44Å
81	T	95.1	Very high	92.2	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.006	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	130.6	-172.4	-45.3	0	0	0	0	110.8	L52 T56 G59 I65 Q74 L79 C125	L52-T81 HydrophobicContact CD1-CG2 4.06Å; L52-T81 HydrophobicContact CD2-CG2 3.94Å; T56-T81 HydrophobicContact CG2-CG2 3.94Å; G59-T81 PolarHBondContact N-O 3.22Å; I65-T81 HydrophobicContact CD1-CG2 3.9Å; Q74-T81 HydrophobicContact CB-CG2 4.4Å; Q74-T81 PolarHBondContact NE2-OG1 3.46Å; L79-T81 PolarHBondContact O-N 2.82Å; L79-T81 PolarHBondContact O-OG1 2.98Å; T81-C125 WeakPolarHBondContact CB-O 3.39Å; T81-C125 PolarHBondContact OG1-O 3.23Å
82	V	95.3	Very high	92.3	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	164.9	-178.1	-63.5	0	0	0	0	112.2	F47 C58 H60 G72 V73 F80 C86 V90	F47-V82 HydrophobicContact CD1-CG2 4.44Å; F47-V82 HydrophobicContact CE1-CG2 3.98Å; F47-V82 HydrophobicContact CZ-CG2 4.45Å; C58-V82 VanDerWaalsContact SG-CA 3.57Å; H60-V82 HydrophobicContact CB-CG1 3.98Å; G72-V82 WeakPolarHBondContact CA-O 3.2Å; V73-V82 HydrophobicContact CG2-CG2 3.6Å; V73-V82 PolarHBondContact N-O 3.31Å; V73-V82 PolarHBondContact O-N 2.94Å; F80-V82 HydrophobicContact CD1-CG1 3.81Å; F80-V82 HydrophobicContact CE1-CG1 3.35Å; F80-V82 HydrophobicContact CZ-CG1 3.93Å; V82-C86 HydrophobicContact CB-CB 4.06Å; V82-V90 HydrophobicContact CG1-CG2 4.49Å
83	H	93.2	Very high	92.1	Very high	17 Å²	17	32.6 Å²	32.6	8%	0.079	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	156.5	169.4	-57.6	93.5	0	0	0	111.2	C58 C61 D63 F64 I65 R85 C86 Y87	C58-H83 WeakPolarHBondContact CB-CE1 3.49Å; C58-H83 WeakPolarHBondContact CB-ND1 3.24Å; C58-H83 PolarHBondContact SG-ND1 3Å; C58-H83 VanDerWaalsContact SG-ND1 3.37Å; C61-H83 PolarHBondContact SG-CE1 3.49Å; C61-H83 PolarHBondContact SG-ND1 2.8Å; C61-H83 VanDerWaalsContact SG-ND1 3.37Å; D63-H83 PolarHBondContact O-CE1 3.26Å; F64-H83 PolarHBondContact O-NE2 2.91Å; I65-H83 WeakPolarHBondContact CA-NE2 3.36Å; H83-R85 HydrophobicContact CB-CG 3.98Å; H83-R85 PolarHBondContact O-N 3.22Å; H83-R85 VanDerWaalsContact O-N 3.17Å; H83-C86 HydrophobicContact CB-CB 4.2Å; H83-C86 PolarHBondContact O-N 3.45Å; H83-Y87 PolarHBondContact O-N 3.42Å
84	K	91.7	Very high	91.9	Very high	110 Å²	110	32 Å²	32	48%	0.478	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-27.9	171.5	-69.7	175.6	173.6	170.7	0	113.7	I70 V73 Y87	I70-K84 WeakPolarHBondContact O-CE 3.5Å; I70-K84 PolarHBondContact O-NZ 3.47Å; V73-K84 HydrophobicContact CG1-CG 4.15Å; K84-Y87 WeakPolarHBondContact O-CD1 3.01Å; K84-Y87 WeakPolarHBondContact O-CE1 3.22Å
85	R	90.5	Very high	91.5	Very high	86 Å²	86	32.6 Å²	32.6	33%	0.325	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-18.7	176.2	67	177.7	-171.8	-152.8	-0.6	114.1	H83 N189 P192	H83-R85 HydrophobicContact CB-CG 3.98Å; H83-R85 PolarHBondContact O-N 3.22Å; H83-R85 VanDerWaalsContact O-N 3.17Å; R85-N189 WeakPolarHBondContact CD-OD1 3.43Å; R85-N189 WeakPolarHBondContact CG-OD1 3.22Å; R85-N189 PolarHBondContact NE-OD1 3.22Å; R85-P192 VanDerWaalsContact NH2-CD 3.31Å
86	C	94.4	Very high	91	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95	-21	-170.5	-67	0	0	0	0	113.6	H60 V82 H83 Q88 L89 N189	H60-C86 HydrophobicContact CB-CB 4.12Å; V82-C86 HydrophobicContact CB-CB 4.06Å; H83-C86 HydrophobicContact CB-CB 4.2Å; H83-C86 PolarHBondContact O-N 3.45Å; C86-Q88 VanDerWaalsContact C-N 3.28Å; C86-Q88 PolarHBondContact O-N 2.99Å; C86-L89 PolarHBondContact O-N 3.28Å; C86-N189 PolarHBondContact SG-ND2 3.35Å; C86-N189 VanDerWaalsContact SG-ND2 3.44Å
87	Y	93.8	Very high	90.4	Very high	42 Å²	42	32.2 Å²	32.2	17%	0.165	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-65.1	-28.6	-168.8	79.5	-90.8	0	0	0	114.5	V42 F47 V73 H83 K84 L89 V90	V42-Y87 HydrophobicContact CG2-CD2 3.71Å; V42-Y87 HydrophobicContact CG2-CE2 3.96Å; F47-Y87 HydrophobicContact CD2-CD2 4.13Å; F47-Y87 HydrophobicContact CD2-CG 4.48Å; V73-Y87 HydrophobicContact CG2-CD1 4.19Å; V73-Y87 HydrophobicContact CG2-CG 4.11Å; H83-Y87 PolarHBondContact O-N 3.42Å; K84-Y87 WeakPolarHBondContact O-CD1 3.01Å; K84-Y87 WeakPolarHBondContact O-CE1 3.22Å; Y87-L89 VanDerWaalsContact C-N 3.26Å; Y87-L89 PolarHBondContact O-N 3.49Å; Y87-V90 WeakPolarHBondContact O-CG2 3.46Å
88	Q	92.5	Very high	89.3	Confident	135 Å²	135	38.7 Å²	38.7	63%	0.631	20%	0.2	S	C	*	.	G	3₁₀ helix	trans	-73.9	-19.7	176.9	-63.3	-176	-11.2	0	0	112.7	C86 V90	C86-Q88 VanDerWaalsContact C-N 3.28Å; C86-Q88 PolarHBondContact O-N 2.99Å; Q88-V90 VanDerWaalsContact C-N 3.34Å
89	L	92.6	Very high	87.8	Confident	26 Å²	26	40.5 Å²	40.5	14%	0.136	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-92.1	4.7	-179.8	-61.1	175.8	0	0	0	112.8	H60 C86 Y87 T91 N189	H60-L89 PolarHBondContact CE1-O 2.82Å; H60-L89 WeakPolarHBondContact NE2-CB 3.46Å; C86-L89 PolarHBondContact O-N 3.28Å; Y87-L89 VanDerWaalsContact C-N 3.26Å; Y87-L89 PolarHBondContact O-N 3.49Å; L89-T91 WeakPolarHBondContact O-CG2 3.36Å; L89-T91 PolarHBondContact O-N 3.41Å; L89-N189 HydrophobicContact CD1-CB 3.33Å
90	V	91.1	Very high	86.2	Confident	3 Å²	3	40.8 Å²	40.8	2%	0.018	22%	0.223	C	C	.	.			trans	-68.8	115.5	175.7	177.9	0	0	0	0	109.2	K43 F47 F80 V82 Y87 Q88 F92	K43-V90 WeakPolarHBondContact CD-O 3.31Å; K43-V90 WeakPolarHBondContact CE-O 3.37Å; F47-V90 HydrophobicContact CE2-CG2 4.46Å; F47-V90 HydrophobicContact CZ-CG2 4.08Å; F80-V90 HydrophobicContact CD1-CG2 4.36Å; F80-V90 HydrophobicContact CE1-CG1 4.17Å; F80-V90 HydrophobicContact CE1-CG2 3.81Å; V82-V90 HydrophobicContact CG1-CG2 4.49Å; Y87-V90 WeakPolarHBondContact O-CG2 3.46Å; Q88-V90 VanDerWaalsContact C-N 3.34Å; V90-F92 HydrophobicContact CG1-CD1 3.91Å; V90-F92 HydrophobicContact CG1-CE1 3.75Å; V90-F92 HydrophobicContact CG1-CE2 4.48Å; V90-F92 HydrophobicContact CG1-CG 4.35Å; V90-F92 HydrophobicContact CG1-CZ 4.05Å
91	T	85.7	Confident	84.2	Confident	7 Å²	7	46.8 Å²	46.8	4%	0.043	26%	0.263	C	S	.	.			trans	-91.2	-12	-169.9	52.7	0	0	0	0	114.3	K43 L89 I299 D300	K43-T91 WeakPolarHBondContact CD-O 3.43Å; K43-T91 WeakPolarHBondContact CE-O 3.44Å; K43-T91 PolarHBondContact NZ-O 3.42Å; L89-T91 WeakPolarHBondContact O-CG2 3.36Å; L89-T91 PolarHBondContact O-N 3.41Å; T91-I299 HydrophobicContact CG2-CB 4.35Å; T91-D300 HydrophobicContact CG2-CB 4.11Å
92	F	85.4	Confident	81.7	Confident	15 Å²	15	54 Å²	54	7%	0.066	30%	0.301	C	S	.	.	S	Bend	trans	-106.5	156.5	-175.1	66.2	-94.9	0	0	0	113	K43 H45 F80 V90 P155 L157 H162	K43-F92 WeakPolarHBondContact CB-O 3.47Å; H45-F92 AromaticContact CE1-CE2 3.52Å; H45-F92 AromaticContact NE2-CD2 3.71Å; H45-F92 AromaticContact NE2-CE2 3.42Å; H45-F92 WeakPolarHBondContact NE2-CE2 3.12Å; H45-F92 PolarHBondContact NE2-O 3.33Å; F80-F92 HydrophobicContact CD1-CE1 4.49Å; F80-F92 AromaticContact CD1-CZ 3.89Å; F80-F92 HydrophobicContact CD1-CZ 3.89Å; F80-F92 HydrophobicContact CD2-CZ 4.02Å; F80-F92 AromaticContact CE1-CE1 3.92Å; F80-F92 HydrophobicContact CE1-CE1 3.92Å; F80-F92 AromaticContact CE1-CZ 3.76Å; F80-F92 HydrophobicContact CE1-CZ 3.76Å; F80-F92 HydrophobicContact CE2-CE1 4.25Å; F80-F92 AromaticContact CE2-CZ 3.91Å; F80-F92 HydrophobicContact CE2-CZ 3.91Å; F80-F92 HydrophobicContact CG-CZ 4.02Å; F80-F92 AromaticContact CZ-CE1 3.79Å; F80-F92 HydrophobicContact CZ-CE1 3.79Å; F80-F92 AromaticContact CZ-CZ 3.78Å; F80-F92 HydrophobicContact CZ-CZ 3.78Å; V90-F92 HydrophobicContact CG1-CD1 3.91Å; V90-F92 HydrophobicContact CG1-CE1 3.75Å; V90-F92 HydrophobicContact CG1-CE2 4.48Å; V90-F92 HydrophobicContact CG1-CG 4.35Å; V90-F92 HydrophobicContact CG1-CZ 4.05Å; F92-P155 HydrophobicContact CD1-CB 4.39Å; F92-P155 HydrophobicContact CD2-CB 3.73Å; F92-P155 HydrophobicContact CE1-CB 4.4Å; F92-P155 HydrophobicContact CE1-CG 4.4Å; F92-P155 HydrophobicContact CE2-CB 3.75Å; F92-P155 HydrophobicContact CE2-CG 4.25Å; F92-P155 HydrophobicContact CG-CB 4.06Å; F92-P155 HydrophobicContact CZ-CB 4.11Å; F92-P155 HydrophobicContact CZ-CG 4.14Å; F92-L157 HydrophobicContact CB-CD1 3.58Å; F92-L157 HydrophobicContact CD1-CD1 4.37Å; F92-L157 HydrophobicContact CG-CD1 4.15Å; F92-H162 AromaticContact CD1-CD2 3.9Å; F92-H162 AromaticContact CE1-CD2 3.67Å
93	Q	86.3	Confident	79.5	Confident	63 Å²	63	56.6 Å²	56.6	29%	0.294	32%	0.317	S	S	.	.			trans	-76.1	139.4	176.7	-176	64.4	24.2	0	0	110.9	K43 P95 T99 F105	K43-Q93 WeakPolarHBondContact O-CA 3.38Å; K43-Q93 PolarHBondContact O-NE2 3.07Å; K43-Q93 PolarHBondContact O-OE1 3.36Å; Q93-P95 WeakPolarHBondContact O-CD 3.31Å; Q93-P95 VanDerWaalsContact O-N 3.17Å; Q93-T99 HydrophobicContact CG-CG2 3.82Å; Q93-F105 HydrophobicContact CB-CE1 4.19Å; Q93-F105 HydrophobicContact CB-CZ 4.16Å; Q93-F105 HydrophobicContact CG-CZ 4.21Å
94	C	89.8	Confident	77.2	Confident	0 Å²	0	62 Å²	62	0%	0	35%	0.346	C	S	.	.			trans	-56.8	118.5	178.6	-176.9	0	0	0	0	111.7	K43 G44 H45 G96 A97	K43-C94 PolarHBondContact O-N 2.64Å; G44-C94 VanDerWaalsContact O-CB 3.26Å; G44-C94 WeakPolarHBondContact O-CB 3.27Å; H45-C94 HydrophobicContact CB-CB 4.35Å; H45-C94 VanDerWaalsContact NE2-CA 3.29Å; H45-C94 WeakPolarHBondContact NE2-CA 3.42Å; H45-C94 PolarHBondContact NE2-N 3.46Å; C94-G96 PolarHBondContact O-N 3.05Å; C94-G96 VanDerWaalsContact O-N 3.15Å; C94-G96 PolarHBondContact SG-N 3.05Å; C94-A97 HydrophobicContact CB-CB 3.87Å; C94-A97 WeakPolarHBondContact O-CB 3.33Å; C94-A97 PolarHBondContact O-N 3.28Å
95	P	87.1	Confident	75.5	Confident	28 Å²	28	58.7 Å²	58.7	18%	0.182	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-15.2	178.1	-22.5	35	0	0	0	113.9	Q93	Q93-P95 WeakPolarHBondContact O-CD 3.31Å; Q93-P95 VanDerWaalsContact O-N 3.17Å
96	G	83.9	Confident	74.3	Confident	42 Å²	42	61.4 Å²	61.4	43%	0.433	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-0.5	176.1	0	0	0	0	0	113.8	C94	C94-G96 PolarHBondContact O-N 3.05Å; C94-G96 VanDerWaalsContact O-N 3.15Å; C94-G96 PolarHBondContact SG-N 3.05Å
97	A	80.5	Confident	73.5	Confident	27 Å²	27	66.7 Å²	66.7	22%	0.223	37%	0.371	C	S	.	.	S	Bend	trans	-78.5	142	171	0	0	0	0	0	109.1	C94 T99	C94-A97 HydrophobicContact CB-CB 3.87Å; C94-A97 WeakPolarHBondContact O-CB 3.33Å; C94-A97 PolarHBondContact O-N 3.28Å; A97-T99 HydrophobicContact CB-CG2 4.23Å; A97-T99 PolarHBondContact O-N 2.68Å
98	D	67.2	Low	73	Confident	170 Å²	170	71.7 Å²	71.7	91%	0.909	39%	0.394	S	S	*	.			trans	-70.2	87.6	168.9	-167.4	10.6	0	0	0	108.2
99	T	61	Low	72.8	Confident	38 Å²	38	66.8 Å²	66.8	23%	0.233	37%	0.371	C	S	.	.			trans	-100.5	119	169	59.4	0	0	0	0	105.6	Q93 A97 T103	Q93-T99 HydrophobicContact CG-CG2 3.82Å; A97-T99 HydrophobicContact CB-CG2 4.23Å; A97-T99 PolarHBondContact O-N 2.68Å; T99-T103 HydrophobicContact CG2-CG2 4.37Å; T99-T103 PolarHBondContact OG1-OG1 3.5Å
100	G	58	Low	72.7	Confident	45 Å²	45	69 Å²	69	46%	0.464	38%	0.383	S	S	.	.			trans	-54.4	-172.5	-178.6	0	0	0	0	0	114.7	D102	G100-D102 PolarHBondContact O-N 3.46Å
101	P	52.9	Low	72.8	Confident	128 Å²	128	70.6 Å²	70.6	83%	0.831	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-19.6	-165.5	19.1	-30.9	0	0	0	116.3	T103	P101-T103 PolarHBondContact O-N 3.13Å
102	D	43.7	Very low	73.2	Confident	153 Å²	153	72.3 Å²	72.3	82%	0.818	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	10.2	-171.1	-63.5	-31.4	0	0	0	115.9	G100 D104	G100-D102 PolarHBondContact O-N 3.46Å; D102-D104 PolarHBondContact O-N 3Å
103	T	48.3	Very low	73.6	Confident	54 Å²	54	75.7 Å²	75.7	33%	0.331	42%	0.418	S	S	.	.			trans	-87.9	86.5	167.3	44.6	0	0	0	0	110.5	T99 P101 F105	T99-T103 HydrophobicContact CG2-CG2 4.37Å; T99-T103 PolarHBondContact OG1-OG1 3.5Å; P101-T103 PolarHBondContact O-N 3.13Å; T103-F105 VanDerWaalsContact CB-CE2 3.45Å; T103-F105 HydrophobicContact CG2-CE2 4.27Å; T103-F105 HydrophobicContact CG2-CZ 4.35Å; T103-F105 VanDerWaalsContact O-CD2 3.24Å; T103-F105 WeakPolarHBondContact O-CD2 3.33Å; T103-F105 PolarHBondContact O-N 2.74Å; T103-F105 WeakPolarHBondContact OG1-CE2 3.43Å
104	D	45.4	Very low	73.9	Confident	129 Å²	129	77.3 Å²	77.3	69%	0.69	42%	0.422	S	S	*	.			trans	-60.5	80	166.3	-80.8	-29.7	0	0	0	110.5	D102 E106	D102-D104 PolarHBondContact O-N 3Å; D104-E106 HydrophobicContact CB-CG 3.98Å; D104-E106 PolarHBondContact O-N 3Å; D104-E106 VanDerWaalsContact O-N 3.08Å
105	F	55.8	Low	74.1	Confident	42 Å²	42	79.5 Å²	79.5	18%	0.184	44%	0.436	C	S	.	.			trans	-81.1	74.9	167.5	-68.7	-68.1	0	0	0	108.7	Q93 T103 K107 R156	Q93-F105 HydrophobicContact CB-CE1 4.19Å; Q93-F105 HydrophobicContact CB-CZ 4.16Å; Q93-F105 HydrophobicContact CG-CZ 4.21Å; T103-F105 VanDerWaalsContact CB-CE2 3.45Å; T103-F105 HydrophobicContact CG2-CE2 4.27Å; T103-F105 HydrophobicContact CG2-CZ 4.35Å; T103-F105 VanDerWaalsContact O-CD2 3.24Å; T103-F105 WeakPolarHBondContact O-CD2 3.33Å; T103-F105 PolarHBondContact O-N 2.74Å; T103-F105 WeakPolarHBondContact OG1-CE2 3.43Å; F105-K107 PolarHBondContact O-N 2.87Å; F105-R156 HydrophobicContact CB-CB 3.61Å; F105-R156 HydrophobicContact CB-CG 4.08Å; F105-R156 HydrophobicContact CD1-CB 4.15Å; F105-R156 HydrophobicContact CG-CB 4.12Å; F105-R156 HydrophobicContact CG-CG 4.48Å
106	E	64.8	Low	74.3	Confident	143 Å²	143	79 Å²	79	67%	0.668	43%	0.431	S	S	*	.			trans	-69.6	-29.1	-165.6	-64.1	-176.7	166.5	0	0	113.9	D104 K108	D104-E106 HydrophobicContact CB-CG 3.98Å; D104-E106 PolarHBondContact O-N 3Å; D104-E106 VanDerWaalsContact O-N 3.08Å; E106-K108 PolarHBondContact O-N 2.8Å
107	K	77.2	Confident	74.5	Confident	110 Å²	110	84.3 Å²	84.3	48%	0.478	46%	0.455	S	S	.	.	B	Isolated β-bridge	trans	-100.4	76.9	-172.2	-63.8	-167.5	-177.5	179.7	0	113.2	F105 R156 L157 C158 M160	F105-K107 PolarHBondContact O-N 2.87Å; K107-R156 CarbonylContact O-C 3.45Å; K107-L157 PolarHBondContact O-N 3.21Å; K107-C158 HydrophobicContact CB-CB 4.12Å; K107-C158 WeakPolarHBondContact CD-O 3.41Å; K107-C158 VanDerWaalsContact O-CB 3.22Å; K107-C158 WeakPolarHBondContact O-CB 3.4Å; K107-C158 PolarHBondContact O-N 3.38Å; K107-M160 HydrophobicContact CD-CG 4.32Å; K107-M160 HydrophobicContact CD-SD 4.17Å
108	K	83.5	Confident	75	Confident	148 Å²	148	86.4 Å²	86.4	64%	0.643	47%	0.468	S	S	*	.			trans	-66.2	148.8	172.6	-65.2	-179.3	-175.5	171.8	0	111.7	E106 C158	E106-K108 PolarHBondContact O-N 2.8Å; K108-C158 VanDerWaalsContact O-CB 3.28Å; K108-C158 WeakPolarHBondContact O-CB 3.22Å
109	H	88.7	Confident	76.1	Confident	31 Å²	31	83.7 Å²	83.7	14%	0.144	46%	0.46	C	S	.	.			trans	-84.1	136.4	172.1	-68.3	-81	0	0	0	110.8	F111 C139 C142 P155 C158	H109-F111 HydrophobicContact CB-CD1 4.45Å; H109-F111 HydrophobicContact CB-CD2 3.69Å; H109-F111 HydrophobicContact CB-CE1 4.13Å; H109-F111 HydrophobicContact CB-CE2 3.34Å; H109-F111 HydrophobicContact CB-CG 4.24Å; H109-F111 HydrophobicContact CB-CZ 3.58Å; H109-F111 AromaticContact CG-CE2 3.88Å; H109-F111 AromaticContact CG-CZ 3.72Å; H109-F111 PolarHBondContact O-N 3Å; H109-C139 HydrophobicContact CB-CB 4.25Å; H109-C142 PolarHBondContact CE1-SG 2.73Å; H109-C142 PolarHBondContact ND1-SG 2.74Å; H109-P155 PolarHBondContact CD2-O 3.16Å; H109-P155 VanDerWaalsContact CD2-O 3.26Å; H109-P155 PolarHBondContact NE2-O 3.25Å; H109-C158 VanDerWaalsContact CE1-CA 3.45Å; H109-C158 WeakPolarHBondContact CE1-CA 3.42Å
110	D	89.5	Confident	77.6	Confident	74 Å²	74	83 Å²	83	40%	0.396	46%	0.455	S	S	.	.			trans	-91.7	92	165.9	-177	14.7	0	0	0	109.8	C139 K140	D110-C139 CarbonylContact O-C 3.56Å; D110-C139 WeakPolarHBondContact O-CA 3.24Å; D110-K140 PolarHBondContact O-N 2.93Å; D110-K140 WeakPolarHBondContact OD2-CD 3.13Å; D110-K140 IonicContact OD2-NZ 3.9Å
111	F	94.2	Very high	79.3	Confident	36 Å²	36	83.7 Å²	83.7	16%	0.158	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	125.3	-176.5	-76.6	-61.1	0	0	0	111.8	H109 Y137 C139 L144 V146 T151 A154	H109-F111 HydrophobicContact CB-CD1 4.45Å; H109-F111 HydrophobicContact CB-CD2 3.69Å; H109-F111 HydrophobicContact CB-CE1 4.13Å; H109-F111 HydrophobicContact CB-CE2 3.34Å; H109-F111 HydrophobicContact CB-CG 4.24Å; H109-F111 HydrophobicContact CB-CZ 3.58Å; H109-F111 AromaticContact CG-CE2 3.88Å; H109-F111 AromaticContact CG-CZ 3.72Å; H109-F111 PolarHBondContact O-N 3Å; F111-Y137 HydrophobicContact CB-CD1 4.04Å; F111-Y137 HydrophobicContact CB-CG 4.47Å; F111-C139 HydrophobicContact CD1-CB 3.97Å; F111-C139 HydrophobicContact CE1-CB 3.89Å; F111-L144 HydrophobicContact CE1-CB 4.34Å; F111-L144 HydrophobicContact CE1-CD2 4.38Å; F111-L144 HydrophobicContact CZ-CD2 4.02Å; F111-V146 HydrophobicContact CD1-CG2 3.73Å; F111-V146 HydrophobicContact CE1-CB 4.32Å; F111-V146 HydrophobicContact CE1-CG1 4.02Å; F111-V146 HydrophobicContact CE1-CG2 3.35Å; F111-V146 HydrophobicContact CE2-CG2 4.26Å; F111-V146 HydrophobicContact CG-CG2 4.36Å; F111-V146 HydrophobicContact CZ-CB 4.49Å; F111-V146 HydrophobicContact CZ-CG1 4.03Å; F111-V146 HydrophobicContact CZ-CG2 3.64Å; F111-T151 HydrophobicContact CB-CG2 4.31Å; F111-T151 HydrophobicContact CD2-CG2 4.06Å; F111-T151 WeakPolarHBondContact CE2-O 3.26Å; F111-T151 HydrophobicContact CG-CG2 4.13Å; F111-A154 HydrophobicContact CE2-CB 4.34Å; F111-A154 HydrophobicContact CZ-CB 4.09Å
112	V	93.5	Very high	81.3	Confident	43 Å²	43	77.7 Å²	77.7	26%	0.261	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	147.8	172.2	-66.5	0	0	0	0	112.3	Y114 Y137 K138 K140	V112-Y114 PolarHBondContact O-N 3.45Å; V112-Y137 CarbonylContact O-C 3.54Å; V112-Y137 WeakPolarHBondContact O-CA 3.41Å; V112-K138 WeakPolarHBondContact CG2-O 3.28Å; V112-K138 PolarHBondContact N-O 3.25Å; V112-K138 PolarHBondContact O-N 3.16Å; V112-K140 HydrophobicContact CG1-CD 4.03Å; V112-K140 HydrophobicContact CG1-CG 4.17Å; V112-K140 HydrophobicContact CG2-CG 3.89Å
113	L	95	Very high	83.7	Confident	85 Å²	85	72.5 Å²	72.5	45%	0.445	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	130.7	174.7	-168.8	65.6	0	0	0	109.3	H134 Y137	L113-H134 HydrophobicContact CD1-CB 3.89Å; L113-H134 HydrophobicContact CD2-CB 3.97Å; L113-H134 HydrophobicContact CG-CB 3.88Å; L113-Y137 HydrophobicContact CB-CE1 4.42Å; L113-Y137 HydrophobicContact CD1-CD2 4.31Å; L113-Y137 HydrophobicContact CD1-CE1 4.45Å; L113-Y137 HydrophobicContact CD1-CE2 3.71Å
114	Y	93	Very high	85.8	Confident	97 Å²	97	70.1 Å²	70.1	38%	0.38	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	138.8	-171.8	-159.2	-97.6	0	0	0	112	V112 Y116 H134 Q135 G136 K138	V112-Y114 PolarHBondContact O-N 3.45Å; Y114-Y116 AromaticContact CD1-CD1 3.75Å; Y114-Y116 HydrophobicContact CD1-CD1 3.75Å; Y114-Y116 HydrophobicContact CD1-CD2 4.1Å; Y114-Y116 AromaticContact CD1-CE1 3.61Å; Y114-Y116 HydrophobicContact CD1-CE1 3.61Å; Y114-Y116 AromaticContact CD1-CE2 3.97Å; Y114-Y116 HydrophobicContact CD1-CE2 3.97Å; Y114-Y116 HydrophobicContact CD1-CG 4.01Å; Y114-Y116 AromaticContact CD1-CZ 3.74Å; Y114-Y116 HydrophobicContact CE1-CD1 4.01Å; Y114-Y116 HydrophobicContact CE1-CE1 4.1Å; Y114-Y116 HydrophobicContact CE1-CG 4.47Å; Y114-H134 CarbonylContact O-C 3.53Å; Y114-H134 WeakPolarHBondContact O-CA 3.46Å; Y114-Q135 PolarHBondContact O-N 3.11Å; Y114-G136 PolarHBondContact N-O 3.13Å; Y114-K138 HydrophobicContact CD1-CB 4.47Å; Y114-K138 HydrophobicContact CD1-CD 4.19Å; Y114-K138 HydrophobicContact CD2-CB 4.24Å; Y114-K138 HydrophobicContact CD2-CD 4.09Å; Y114-K138 HydrophobicContact CE1-CD 4.18Å; Y114-K138 HydrophobicContact CE2-CD 4.1Å; Y114-K138 HydrophobicContact CG-CB 3.93Å; Y114-K138 HydrophobicContact CG-CD 4.14Å
115	T	94	Very high	88	Confident	46 Å²	46	64.1 Å²	64.1	28%	0.282	33%	0.332	S	S	.	.			trans	-100.6	120.7	172.2	-69.4	0	0	0	0	109.1	L133 H134	T115-L133 HydrophobicContact CG2-CD2 3.57Å; T115-H134 PolarHBondContact OG1-CD2 3.3Å; T115-H134 PolarHBondContact OG1-N 3.29Å
116	Y	91.5	Very high	89.8	Confident	19 Å²	19	62.1 Å²	62.1	8%	0.075	32%	0.324	C	S	.	.			trans	-95	132.9	179.6	-59.7	-91.6	0	0	0	110.4	Y114 T120 L129 Q135 Y137 N145	Y114-Y116 AromaticContact CD1-CD1 3.75Å; Y114-Y116 HydrophobicContact CD1-CD1 3.75Å; Y114-Y116 HydrophobicContact CD1-CD2 4.1Å; Y114-Y116 AromaticContact CD1-CE1 3.61Å; Y114-Y116 HydrophobicContact CD1-CE1 3.61Å; Y114-Y116 AromaticContact CD1-CE2 3.97Å; Y114-Y116 HydrophobicContact CD1-CE2 3.97Å; Y114-Y116 HydrophobicContact CD1-CG 4.01Å; Y114-Y116 AromaticContact CD1-CZ 3.74Å; Y114-Y116 HydrophobicContact CE1-CD1 4.01Å; Y114-Y116 HydrophobicContact CE1-CE1 4.1Å; Y114-Y116 HydrophobicContact CE1-CG 4.47Å; Y116-T120 HydrophobicContact CD1-CG2 3.7Å; Y116-T120 WeakPolarHBondContact CD1-OG1 3.31Å; Y116-T120 HydrophobicContact CE1-CG2 3.77Å; Y116-T120 HydrophobicContact CG-CG2 4.32Å; Y116-L129 HydrophobicContact CD2-CD1 4.13Å; Y116-L129 HydrophobicContact CE1-CD1 4.37Å; Y116-L129 HydrophobicContact CE2-CD1 3.55Å; Y116-Q135 HydrophobicContact CD2-CB 4.2Å; Y116-Q135 PolarHBondContact O-NE2 2.92Å; Y116-Y137 PolarHBondContact OH-O 3.12Å; Y116-Y137 VanDerWaalsContact OH-O 3.11Å; Y116-N145 HydrophobicContact CE1-CB 4.2Å; Y116-N145 WeakPolarHBondContact CE1-OD1 3.39Å; Y116-N145 WeakPolarHBondContact OH-CB 3.43Å; Y116-N145 PolarHBondContact OH-OD1 3.43Å
117	T	88.1	Confident	91.1	Very high	152 Å²	152	55.9 Å²	55.9	93%	0.933	30%	0.296	S	S	*	.	S	Bend	trans	-85.9	-10.1	179.7	52	0	0	0	0	113.5
118	S	89.1	Confident	91.9	Very high	71 Å²	71	53.7 Å²	53.7	50%	0.497	29%	0.289	S	S	.	.	S	Bend	trans	-134.5	157	177.5	63.8	0	0	0	0	111.1	T120	S118-T120 PolarHBondContact O-N 3.28Å; S118-T120 PolarHBondContact O-OG1 3.17Å
119	P	91.2	Very high	92.3	Very high	114 Å²	114	47 Å²	47	74%	0.74	26%	0.26	S	S	*	.			trans	-51	116.3	173.7	-26.6	35.1	0	0	0	111	L128	P119-L128 HydrophobicContact CB-CD1 4.28Å
120	T	92.9	Very high	92.3	Very high	22 Å²	22	53.8 Å²	53.8	14%	0.135	29%	0.286	C	S	.	.			trans	-126.7	136.9	-174.7	-57	0	0	0	0	109.7	Y116 S118 L129 N145	Y116-T120 HydrophobicContact CD1-CG2 3.7Å; Y116-T120 WeakPolarHBondContact CD1-OG1 3.31Å; Y116-T120 HydrophobicContact CE1-CG2 3.77Å; Y116-T120 HydrophobicContact CG-CG2 4.32Å; S118-T120 PolarHBondContact O-N 3.28Å; S118-T120 PolarHBondContact O-OG1 3.17Å; T120-L129 HydrophobicContact CG2-CD1 3.96Å; T120-L129 VanDerWaalsContact O-CB 3.29Å; T120-L129 WeakPolarHBondContact O-CB 3.38Å; T120-L129 WeakPolarHBondContact O-CG 3.13Å; T120-L129 PolarHBondContact O-N 3.42Å; T120-N145 HydrophobicContact CG2-CB 4.22Å
121	F	93.9	Very high	92.3	Very high	61 Å²	61	52.6 Å²	52.6	27%	0.268	29%	0.29	S	S	.	.	B	Isolated β-bridge	trans	-101.9	147.5	-178.9	-64.8	-98.5	0	0	0	110.8	F55 F57 D123 L128	F55-F121 HydrophobicContact CB-CE1 4.32Å; F57-F121 HydrophobicContact CD2-CB 4.16Å; F57-F121 AromaticContact CD2-CD1 3.73Å; F57-F121 HydrophobicContact CD2-CD1 3.73Å; F57-F121 HydrophobicContact CD2-CD2 4.08Å; F57-F121 HydrophobicContact CD2-CE1 4.13Å; F57-F121 HydrophobicContact CD2-CE2 4.46Å; F57-F121 AromaticContact CD2-CG 3.71Å; F57-F121 HydrophobicContact CD2-CG 3.71Å; F57-F121 HydrophobicContact CD2-CZ 4.48Å; F57-F121 AromaticContact CE2-CD1 3.88Å; F57-F121 HydrophobicContact CE2-CD1 3.88Å; F57-F121 AromaticContact CE2-CD2 3.74Å; F57-F121 HydrophobicContact CE2-CD2 3.74Å; F57-F121 AromaticContact CE2-CE1 3.86Å; F57-F121 HydrophobicContact CE2-CE1 3.86Å; F57-F121 AromaticContact CE2-CE2 3.73Å; F57-F121 HydrophobicContact CE2-CE2 3.73Å; F57-F121 AromaticContact CE2-CG 3.83Å; F57-F121 HydrophobicContact CE2-CG 3.83Å; F57-F121 AromaticContact CE2-CZ 3.8Å; F57-F121 HydrophobicContact CE2-CZ 3.8Å; F121-D123 PolarHBondContact O-N 3.35Å; F121-L128 HydrophobicContact CD1-CB 4.12Å; F121-L128 HydrophobicContact CD1-CD1 4.26Å; F121-L128 HydrophobicContact CD2-CD1 4.38Å; F121-L128 HydrophobicContact CE1-CB 3.97Å; F121-L128 HydrophobicContact CE1-CD1 3.95Å; F121-L128 HydrophobicContact CE2-CD1 4.07Å; F121-L128 HydrophobicContact CG-CD1 4.46Å; F121-L128 HydrophobicContact CZ-CD1 3.85Å
122	C	94.9	Very high	91.9	Very high	2 Å²	2	58.6 Å²	58.6	1%	0.014	32%	0.323	C	S	.	.			trans	-67.6	122.4	172.8	177.1	0	0	0	0	109.5	H124 C125 G126 S127 L129 N145 H147	C122-H124 PolarHBondContact O-N 2.93Å; C122-C125 PolarHBondContact SG-N 3.01Å; C122-G126 WeakPolarHBondContact O-CA 3.07Å; C122-G126 PolarHBondContact O-N 2.77Å; C122-S127 VanDerWaalsContact CB-O 3.29Å; C122-S127 WeakPolarHBondContact CB-O 3.04Å; C122-S127 PolarHBondContact N-O 3.02Å; C122-L129 HydrophobicContact CB-CD2 3.81Å; C122-L129 HydrophobicContact CB-CG 4.44Å; C122-N145 CarbonylContact C-O 3.56Å; C122-N145 WeakPolarHBondContact CA-O 3.46Å; C122-H147 WeakPolarHBondContact CB-CE1 3.29Å; C122-H147 WeakPolarHBondContact CB-ND1 3.42Å; C122-H147 PolarHBondContact SG-ND1 2.99Å
123	D	92.9	Very high	91.8	Very high	44 Å²	44	62.4 Å²	62.4	24%	0.235	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-19.3	-179.9	-80.5	-63.1	0	0	0	114.1	K62 F121 L144 N145	K62-D123 PolarHBondContact NZ-O 2.82Å; K62-D123 VanDerWaalsContact NZ-O 3.08Å; K62-D123 IonicContact NZ-OD1 2.92Å; K62-D123 PolarHBondContact NZ-OD1 3.1Å; F121-D123 PolarHBondContact O-N 3.35Å; D123-L144 HydrophobicContact CB-CD1 3.34Å; D123-L144 HydrophobicContact CB-CG 4.07Å; D123-N145 PolarHBondContact N-O 3.21Å; D123-N145 PolarHBondContact OD2-N 2.88Å
124	H	92.6	Very high	91.6	Very high	3 Å²	3	63.7 Å²	63.7	1%	0.014	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-55.2	-175.2	179.6	67.6	0	0	0	113	C78 F80 C122 V146 C150 K153	C78-H124 PolarHBondContact O-NE2 2.83Å; F80-H124 AromaticContact CD2-CE1 3.9Å; F80-H124 AromaticContact CD2-ND1 3.61Å; F80-H124 VanDerWaalsContact CD2-O 3.26Å; F80-H124 WeakPolarHBondContact CD2-O 3.44Å; C122-H124 PolarHBondContact O-N 2.93Å; H124-V146 HydrophobicContact CB-CG1 4.21Å; H124-C150 HydrophobicContact CB-CB 4.4Å; H124-K153 PolarHBondContact CE1-O 3.48Å; H124-K153 PolarHBondContact NE2-O 2.7Å
125	C	92.7	Very high	91.6	Very high	3 Å²	3	60.3 Å²	60.3	2%	0.02	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-5.9	-179.5	78	0	0	0	0	113.5	T81 C122 S127 H147	T81-C125 WeakPolarHBondContact CB-O 3.39Å; T81-C125 PolarHBondContact OG1-O 3.23Å; C122-C125 PolarHBondContact SG-N 3.01Å; C125-S127 PolarHBondContact O-N 3.1Å; C125-H147 PolarHBondContact SG-CE1 2.83Å; C125-H147 PolarHBondContact SG-ND1 3.02Å
126	G	92.2	Very high	91.7	Very high	1 Å²	1	58.2 Å²	58.2	1%	0.01	32%	0.321	C	S	.	.			trans	78.4	-10.3	177.2	0	0	0	0	0	115.5	T56 F57 C122	T56-G126 WeakPolarHBondContact CA-O 3.42Å; F57-G126 PolarHBondContact N-O 2.91Å; F57-G126 WeakPolarHBondContact O-CA 3.49Å; C122-G126 WeakPolarHBondContact O-CA 3.07Å; C122-G126 PolarHBondContact O-N 2.77Å
127	S	92.9	Very high	91.9	Very high	12 Å²	12	59.8 Å²	59.8	8%	0.084	33%	0.327	C	S	.	.	B	Isolated β-bridge	trans	-86.5	155.1	-173.4	-65.6	0	0	0	0	113	Q54 C122 C125 H147	Q54-S127 PolarHBondContact NE2-OG 2.86Å; C122-S127 VanDerWaalsContact CB-O 3.29Å; C122-S127 WeakPolarHBondContact CB-O 3.04Å; C122-S127 PolarHBondContact N-O 3.02Å; C125-S127 PolarHBondContact O-N 3.1Å; S127-H147 PolarHBondContact O-CE1 3.41Å
128	L	93.3	Very high	92.2	Very high	63 Å²	63	53.9 Å²	53.9	33%	0.33	29%	0.288	S	S	.	.	B	Isolated β-bridge	trans	-55.7	135.9	178.5	-171.5	69.6	0	0	0	112.5	P119 F121 Y130 H147	P119-L128 HydrophobicContact CB-CD1 4.28Å; F121-L128 HydrophobicContact CD1-CB 4.12Å; F121-L128 HydrophobicContact CD1-CD1 4.26Å; F121-L128 HydrophobicContact CD2-CD1 4.38Å; F121-L128 HydrophobicContact CE1-CB 3.97Å; F121-L128 HydrophobicContact CE1-CD1 3.95Å; F121-L128 HydrophobicContact CE2-CD1 4.07Å; F121-L128 HydrophobicContact CG-CD1 4.46Å; F121-L128 HydrophobicContact CZ-CD1 3.85Å; L128-Y130 PolarHBondContact O-N 3.48Å; L128-H147 PolarHBondContact O-NE2 3.4Å
129	L	92.8	Very high	92.4	Very high	9 Å²	9	50.5 Å²	50.5	5%	0.047	26%	0.264	C	S	.	.			trans	-79.7	95.8	166	-59.1	176.4	0	0	0	107.7	Y116 T120 C122 Q135 N145 H147	Y116-L129 HydrophobicContact CD2-CD1 4.13Å; Y116-L129 HydrophobicContact CE1-CD1 4.37Å; Y116-L129 HydrophobicContact CE2-CD1 3.55Å; T120-L129 HydrophobicContact CG2-CD1 3.96Å; T120-L129 VanDerWaalsContact O-CB 3.29Å; T120-L129 WeakPolarHBondContact O-CB 3.38Å; T120-L129 WeakPolarHBondContact O-CG 3.13Å; T120-L129 PolarHBondContact O-N 3.42Å; C122-L129 HydrophobicContact CB-CD2 3.81Å; C122-L129 HydrophobicContact CB-CG 4.44Å; L129-Q135 HydrophobicContact CB-CB 3.94Å; L129-N145 HydrophobicContact CD1-CB 4.02Å; L129-H147 HydrophobicContact CD2-CB 4.36Å; L129-H147 VanDerWaalsContact CD2-CD2 3.41Å; L129-H147 WeakPolarHBondContact CD2-CD2 3.49Å
130	Y	89.3	Confident	92	Very high	173 Å²	173	50.9 Å²	50.9	68%	0.678	25%	0.254	S	S	*	.			trans	-82.2	152.3	-174.1	61.6	-92.5	0	0	0	112.6	L128 Q135	L128-Y130 PolarHBondContact O-N 3.48Å; Y130-Q135 WeakPolarHBondContact O-CB 3.45Å; Y130-Q135 WeakPolarHBondContact O-CG 3.15Å
131	G	88.4	Confident	91.5	Very high	48 Å²	48	54.4 Å²	54.4	50%	0.495	27%	0.272	S	S	.	.	S	Bend	trans	122	167.3	176.1	0	0	0	0	0	112.9	Q135	G131-Q135 VanDerWaalsContact C-CG 3.44Å; G131-Q135 WeakPolarHBondContact O-CG 3.35Å; G131-Q135 PolarHBondContact O-NE2 2.94Å
132	L	86.7	Confident	91	Very high	162 Å²	162	52.4 Å²	52.4	85%	0.848	27%	0.266	S	S	*	.	S	Bend	trans	-88.4	-33.5	177.3	-62.2	175	0	0	0	112.4	Q135	L132-Q135 VanDerWaalsContact C-NE2 3.34Å; L132-Q135 PolarHBondContact O-NE2 3.21Å; L132-Q135 VanDerWaalsContact O-NE2 3.13Å
133	L	90.5	Very high	90.5	Very high	123 Å²	123	52.4 Å²	52.4	64%	0.644	27%	0.266	S	S	*	.	S	Bend	trans	-136.9	151.5	-179.9	-62.5	173.8	0	0	0	109.5	T115 Q135	T115-L133 HydrophobicContact CG2-CD2 3.57Å; L133-Q135 PolarHBondContact O-N 2.85Å; L133-Q135 VanDerWaalsContact O-N 3.12Å
134	H	91.3	Very high	90.4	Very high	112 Å²	112	51.4 Å²	51.4	52%	0.519	26%	0.26	S	S	.	.			trans	51.6	37.8	172.5	-59.7	155.3	0	0	0	114	L113 Y114 T115 G136	L113-H134 HydrophobicContact CD1-CB 3.89Å; L113-H134 HydrophobicContact CD2-CB 3.97Å; L113-H134 HydrophobicContact CG-CB 3.88Å; Y114-H134 CarbonylContact O-C 3.53Å; Y114-H134 WeakPolarHBondContact O-CA 3.46Å; T115-H134 PolarHBondContact OG1-CD2 3.3Å; T115-H134 PolarHBondContact OG1-N 3.29Å; H134-G136 PolarHBondContact O-N 3.39Å; H134-G136 VanDerWaalsContact O-N 3.12Å
135	Q	93.6	Very high	90.5	Very high	27 Å²	27	51.9 Å²	51.9	13%	0.126	26%	0.263	C	S	.	.			trans	-63.5	-21.7	-172.5	-57.4	92.2	-27.1	0	0	113.1	Y114 Y116 L129 Y130 G131 L132 L133	Y114-Q135 PolarHBondContact O-N 3.11Å; Y116-Q135 HydrophobicContact CD2-CB 4.2Å; Y116-Q135 PolarHBondContact O-NE2 2.92Å; L129-Q135 HydrophobicContact CB-CB 3.94Å; Y130-Q135 WeakPolarHBondContact O-CB 3.45Å; Y130-Q135 WeakPolarHBondContact O-CG 3.15Å; G131-Q135 VanDerWaalsContact C-CG 3.44Å; G131-Q135 WeakPolarHBondContact O-CG 3.35Å; G131-Q135 PolarHBondContact O-NE2 2.94Å; L132-Q135 VanDerWaalsContact C-NE2 3.34Å; L132-Q135 PolarHBondContact O-NE2 3.21Å; L132-Q135 VanDerWaalsContact O-NE2 3.13Å; L133-Q135 PolarHBondContact O-N 2.85Å; L133-Q135 VanDerWaalsContact O-N 3.12Å
136	G	95.4	Very high	90.6	Very high	2 Å²	2	51.8 Å²	51.8	2%	0.021	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.9	-164.8	-178.5	0	0	0	0	0	113	Y114 H134 V146	Y114-G136 PolarHBondContact N-O 3.13Å; H134-G136 PolarHBondContact O-N 3.39Å; H134-G136 VanDerWaalsContact O-N 3.12Å; G136-V146 CarbonylContact C-O 3.51Å; G136-V146 WeakPolarHBondContact CA-O 3.27Å
137	Y	96	Very high	90.8	Very high	52 Å²	52	52.2 Å²	52.2	20%	0.204	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	145.7	179	-73.9	-109.1	0	0	0	108.9	F111 V112 L113 Y116 N145 V146 K148 T151	F111-Y137 HydrophobicContact CB-CD1 4.04Å; F111-Y137 HydrophobicContact CB-CG 4.47Å; V112-Y137 CarbonylContact O-C 3.54Å; V112-Y137 WeakPolarHBondContact O-CA 3.41Å; L113-Y137 HydrophobicContact CB-CE1 4.42Å; L113-Y137 HydrophobicContact CD1-CD2 4.31Å; L113-Y137 HydrophobicContact CD1-CE1 4.45Å; L113-Y137 HydrophobicContact CD1-CE2 3.71Å; Y116-Y137 PolarHBondContact OH-O 3.12Å; Y116-Y137 VanDerWaalsContact OH-O 3.11Å; Y137-N145 WeakPolarHBondContact O-CA 3.07Å; Y137-V146 PolarHBondContact N-O 3.43Å; Y137-V146 PolarHBondContact O-N 2.99Å; Y137-K148 HydrophobicContact CD2-CB 4.06Å; Y137-K148 HydrophobicContact CD2-CG 4.45Å; Y137-K148 HydrophobicContact CE2-CB 3.63Å; Y137-K148 HydrophobicContact CE2-CD 4.22Å; Y137-K148 HydrophobicContact CE2-CG 3.66Å; Y137-T151 HydrophobicContact CD1-CG2 4.18Å; Y137-T151 HydrophobicContact CD2-CG2 4.06Å; Y137-T151 HydrophobicContact CG-CG2 3.75Å
138	K	94.2	Very high	90.8	Very high	28 Å²	28	59 Å²	59	12%	0.122	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	131	177.5	-177.5	176.5	170	-166.2	0	108.8	V112 Y114 K140 N143 L144	V112-K138 WeakPolarHBondContact CG2-O 3.28Å; V112-K138 PolarHBondContact N-O 3.25Å; V112-K138 PolarHBondContact O-N 3.16Å; Y114-K138 HydrophobicContact CD1-CB 4.47Å; Y114-K138 HydrophobicContact CD1-CD 4.19Å; Y114-K138 HydrophobicContact CD2-CB 4.24Å; Y114-K138 HydrophobicContact CD2-CD 4.09Å; Y114-K138 HydrophobicContact CE1-CD 4.18Å; Y114-K138 HydrophobicContact CE2-CD 4.1Å; Y114-K138 HydrophobicContact CG-CB 3.93Å; Y114-K138 HydrophobicContact CG-CD 4.14Å; K138-K140 PolarHBondContact O-N 3.18Å; K138-N143 WeakPolarHBondContact CE-OD1 3.46Å; K138-N143 PolarHBondContact NZ-OD1 2.79Å; K138-N143 VanDerWaalsContact NZ-OD1 3.13Å; K138-L144 WeakPolarHBondContact CA-O 2.97Å
139	C	91.9	Very high	90.7	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	128	173.3	-176.8	0	0	0	0	109.9	H109 D110 F111 N141 N143 L144 C158	H109-C139 HydrophobicContact CB-CB 4.25Å; D110-C139 CarbonylContact O-C 3.56Å; D110-C139 WeakPolarHBondContact O-CA 3.24Å; F111-C139 HydrophobicContact CD1-CB 3.97Å; F111-C139 HydrophobicContact CE1-CB 3.89Å; C139-N141 VanDerWaalsContact C-N 3.28Å; C139-N141 PolarHBondContact O-N 2.73Å; C139-N143 WeakPolarHBondContact O-CA 3.47Å; C139-N143 PolarHBondContact O-N 3.34Å; C139-L144 HydrophobicContact CB-CB 4.13Å; C139-L144 PolarHBondContact N-O 3.12Å; C139-C158 VanDerWaalsContact SG-SG 3.61Å
140	K	83.6	Confident	90.8	Very high	122 Å²	122	62.4 Å²	62.4	53%	0.53	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-34.9	177.2	-75.5	179.6	174	156.5	0	113	D110 V112 K138	D110-K140 PolarHBondContact O-N 2.93Å; D110-K140 WeakPolarHBondContact OD2-CD 3.13Å; D110-K140 IonicContact OD2-NZ 3.9Å; V112-K140 HydrophobicContact CG1-CD 4.03Å; V112-K140 HydrophobicContact CG1-CG 4.17Å; V112-K140 HydrophobicContact CG2-CG 3.89Å; K138-K140 PolarHBondContact O-N 3.18Å
141	N	81.8	Confident	90.9	Very high	95 Å²	95	56.2 Å²	56.2	51%	0.508	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-39.6	-169.2	-54.4	20	0	0	0	112.3	C139	C139-N141 VanDerWaalsContact C-N 3.28Å; C139-N141 PolarHBondContact O-N 2.73Å
142	C	83.5	Confident	90.9	Very high	19 Å²	19	58.4 Å²	58.4	13%	0.128	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.6	5	-175.7	67.9	0	0	0	0	114.3	H109 L144	H109-C142 PolarHBondContact CE1-SG 2.73Å; H109-C142 PolarHBondContact ND1-SG 2.74Å; C142-L144 PolarHBondContact O-N 3.5Å
143	N	84.9	Confident	91.1	Very high	3 Å²	3	53.6 Å²	53.6	2%	0.016	26%	0.26	C	S	.	.			trans	59.8	19.7	174.3	-59.1	-69.8	0	0	0	116.7	K138 C139 N145 R573 M577 Q605	K138-N143 WeakPolarHBondContact CE-OD1 3.46Å; K138-N143 PolarHBondContact NZ-OD1 2.79Å; K138-N143 VanDerWaalsContact NZ-OD1 3.13Å; C139-N143 WeakPolarHBondContact O-CA 3.47Å; C139-N143 PolarHBondContact O-N 3.34Å; N143-N145 PolarHBondContact O-N 2.81Å; N143-N145 PolarHBondContact O-OD1 2.67Å; N143-R573 PolarHBondContact O-NH1 3.08Å; N143-M577 WeakPolarHBondContact ND2-CE 3.15Å; N143-M577 PolarHBondContact ND2-SD 3.12Å; N143-M577 VanDerWaalsContact OD1-CE 3.26Å; N143-M577 WeakPolarHBondContact OD1-CE 3.32Å; N143-M577 PolarHBondContact OD1-SD 3.19Å; N143-Q605 PolarHBondContact ND2-OE1 3.08Å
144	L	90.8	Very high	91	Very high	22 Å²	22	48 Å²	48	12%	0.115	23%	0.231	C	C	.	.			trans	-61.2	120.9	173.1	-167.9	73.9	0	0	0	109.4	F111 D123 K138 C139 C142 V146 A154	F111-L144 HydrophobicContact CE1-CB 4.34Å; F111-L144 HydrophobicContact CE1-CD2 4.38Å; F111-L144 HydrophobicContact CZ-CD2 4.02Å; D123-L144 HydrophobicContact CB-CD1 3.34Å; D123-L144 HydrophobicContact CB-CG 4.07Å; K138-L144 WeakPolarHBondContact CA-O 2.97Å; C139-L144 HydrophobicContact CB-CB 4.13Å; C139-L144 PolarHBondContact N-O 3.12Å; C142-L144 PolarHBondContact O-N 3.5Å; L144-V146 HydrophobicContact CD2-CG1 4.04Å; L144-V146 HydrophobicContact CG-CG1 3.99Å; L144-A154 HydrophobicContact CD2-CB 4.11Å
145	N	94.1	Very high	90.8	Very high	14 Å²	14	42.8 Å²	42.8	8%	0.075	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	123.9	-179.2	-53.7	-50.9	0	0	0	109.1	Y116 T120 C122 D123 L129 Y137 N143	Y116-N145 HydrophobicContact CE1-CB 4.2Å; Y116-N145 WeakPolarHBondContact CE1-OD1 3.39Å; Y116-N145 WeakPolarHBondContact OH-CB 3.43Å; Y116-N145 PolarHBondContact OH-OD1 3.43Å; T120-N145 HydrophobicContact CG2-CB 4.22Å; C122-N145 CarbonylContact C-O 3.56Å; C122-N145 WeakPolarHBondContact CA-O 3.46Å; D123-N145 PolarHBondContact N-O 3.21Å; D123-N145 PolarHBondContact OD2-N 2.88Å; L129-N145 HydrophobicContact CD1-CB 4.02Å; Y137-N145 WeakPolarHBondContact O-CA 3.07Å; N143-N145 PolarHBondContact O-N 2.81Å; N143-N145 PolarHBondContact O-OD1 2.67Å
146	V	95.7	Very high	90.4	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	153.1	-175.8	-59.9	0	0	0	0	112.2	F111 H124 G136 Y137 L144 C150 T151 A154	F111-V146 HydrophobicContact CD1-CG2 3.73Å; F111-V146 HydrophobicContact CE1-CB 4.32Å; F111-V146 HydrophobicContact CE1-CG1 4.02Å; F111-V146 HydrophobicContact CE1-CG2 3.35Å; F111-V146 HydrophobicContact CE2-CG2 4.26Å; F111-V146 HydrophobicContact CG-CG2 4.36Å; F111-V146 HydrophobicContact CZ-CB 4.49Å; F111-V146 HydrophobicContact CZ-CG1 4.03Å; F111-V146 HydrophobicContact CZ-CG2 3.64Å; H124-V146 HydrophobicContact CB-CG1 4.21Å; G136-V146 CarbonylContact C-O 3.51Å; G136-V146 WeakPolarHBondContact CA-O 3.27Å; Y137-V146 PolarHBondContact N-O 3.43Å; Y137-V146 PolarHBondContact O-N 2.99Å; L144-V146 HydrophobicContact CD2-CG1 4.04Å; L144-V146 HydrophobicContact CG-CG1 3.99Å; V146-C150 HydrophobicContact CB-CB 3.93Å; V146-T151 HydrophobicContact CG2-CG2 3.7Å; V146-A154 HydrophobicContact CG1-CB 4.48Å
147	H	95.4	Very high	89.8	Confident	10 Å²	10	48.2 Å²	48.2	5%	0.046	23%	0.229	C	C	.	.			trans	-65	157.4	166.8	-60.2	103.3	0	0	0	110.3	C122 C125 S127 L128 L129 R149 C150 T151	C122-H147 WeakPolarHBondContact CB-CE1 3.29Å; C122-H147 WeakPolarHBondContact CB-ND1 3.42Å; C122-H147 PolarHBondContact SG-ND1 2.99Å; C125-H147 PolarHBondContact SG-CE1 2.83Å; C125-H147 PolarHBondContact SG-ND1 3.02Å; S127-H147 PolarHBondContact O-CE1 3.41Å; L128-H147 PolarHBondContact O-NE2 3.4Å; L129-H147 HydrophobicContact CD2-CB 4.36Å; L129-H147 VanDerWaalsContact CD2-CD2 3.41Å; L129-H147 WeakPolarHBondContact CD2-CD2 3.49Å; H147-R149 HydrophobicContact CB-CG 3.87Å; H147-R149 PolarHBondContact O-N 2.73Å; H147-R149 VanDerWaalsContact O-N 3.15Å; H147-C150 HydrophobicContact CB-CB 4.28Å; H147-C150 WeakPolarHBondContact O-CA 3.12Å; H147-C150 WeakPolarHBondContact O-CB 3.46Å; H147-C150 PolarHBondContact O-N 2.78Å; H147-T151 PolarHBondContact O-N 3.33Å
148	K	93.8	Very high	89.2	Confident	155 Å²	155	46.2 Å²	46.2	67%	0.674	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-48.6	-42.3	168.9	-171.6	174.5	-178.5	178.3	0	112.9	Y137 C150 T151	Y137-K148 HydrophobicContact CD2-CB 4.06Å; Y137-K148 HydrophobicContact CD2-CG 4.45Å; Y137-K148 HydrophobicContact CE2-CB 3.63Å; Y137-K148 HydrophobicContact CE2-CD 4.22Å; Y137-K148 HydrophobicContact CE2-CG 3.66Å; K148-C150 VanDerWaalsContact C-N 3.25Å; K148-C150 PolarHBondContact O-N 2.71Å; K148-T151 PolarHBondContact O-OG1 2.9Å
149	R	92	Very high	88.4	Confident	143 Å²	143	47.2 Å²	47.2	54%	0.54	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-71.6	-14.2	177.9	68	178.3	177.9	-172	-2.5	114.9	H147	H147-R149 HydrophobicContact CB-CG 3.87Å; H147-R149 PolarHBondContact O-N 2.73Å; H147-R149 VanDerWaalsContact O-N 3.15Å
150	C	93.8	Very high	87.8	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-99.5	-11.3	-177.3	-65.7	0	0	0	0	112.4	H124 V146 H147 K148 S152 K153 A154	H124-C150 HydrophobicContact CB-CB 4.4Å; V146-C150 HydrophobicContact CB-CB 3.93Å; H147-C150 HydrophobicContact CB-CB 4.28Å; H147-C150 WeakPolarHBondContact O-CA 3.12Å; H147-C150 WeakPolarHBondContact O-CB 3.46Å; H147-C150 PolarHBondContact O-N 2.78Å; K148-C150 VanDerWaalsContact C-N 3.25Å; K148-C150 PolarHBondContact O-N 2.71Å; C150-S152 VanDerWaalsContact C-N 3.34Å; C150-S152 PolarHBondContact O-N 3.37Å; C150-K153 CarbonylContact O-C 3.59Å; C150-K153 PolarHBondContact O-N 3.22Å; C150-A154 PolarHBondContact O-N 3.03Å
151	T	92.3	Very high	87.7	Confident	43 Å²	43	47.6 Å²	47.6	26%	0.264	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-42.8	-177.9	54.9	0	0	0	0	112.7	F111 Y137 V146 H147 K148 K153	F111-T151 HydrophobicContact CB-CG2 4.31Å; F111-T151 HydrophobicContact CD2-CG2 4.06Å; F111-T151 WeakPolarHBondContact CE2-O 3.26Å; F111-T151 HydrophobicContact CG-CG2 4.13Å; Y137-T151 HydrophobicContact CD1-CG2 4.18Å; Y137-T151 HydrophobicContact CD2-CG2 4.06Å; Y137-T151 HydrophobicContact CG-CG2 3.75Å; V146-T151 HydrophobicContact CG2-CG2 3.7Å; H147-T151 PolarHBondContact O-N 3.33Å; K148-T151 PolarHBondContact O-OG1 2.9Å; T151-K153 VanDerWaalsContact C-N 3.32Å
152	S	88.3	Confident	87.9	Confident	95 Å²	95	44 Å²	44	66%	0.664	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-10.5	177	58.9	0	0	0	0	114.1	C150	C150-S152 VanDerWaalsContact C-N 3.34Å; C150-S152 PolarHBondContact O-N 3.37Å
153	K	90.4	Very high	88.2	Confident	61 Å²	61	43.5 Å²	43.5	27%	0.265	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-12.7	-175.5	-60.1	-170.2	173.5	-151	0	113.6	A77 C78 L79 H124 C150 T151	A77-K153 PolarHBondContact O-NZ 3.21Å; C78-K153 HydrophobicContact CB-CB 4.37Å; C78-K153 WeakPolarHBondContact O-CB 3.44Å; C78-K153 WeakPolarHBondContact O-CD 3.45Å; L79-K153 HydrophobicContact CD1-CD 4.15Å; L79-K153 HydrophobicContact CG-CD 4.2Å; H124-K153 PolarHBondContact CE1-O 3.48Å; H124-K153 PolarHBondContact NE2-O 2.7Å; C150-K153 CarbonylContact O-C 3.59Å; C150-K153 PolarHBondContact O-N 3.22Å; T151-K153 VanDerWaalsContact C-N 3.32Å
154	A	88.7	Confident	88.7	Confident	4 Å²	4	43.6 Å²	43.6	3%	0.033	22%	0.224	C	C	.	.	S	Bend	trans	-62.7	146.4	175.8	0	0	0	0	0	110.8	F111 L144 V146 C150 R156	F111-A154 HydrophobicContact CE2-CB 4.34Å; F111-A154 HydrophobicContact CZ-CB 4.09Å; L144-A154 HydrophobicContact CD2-CB 4.11Å; V146-A154 HydrophobicContact CG1-CB 4.48Å; C150-A154 PolarHBondContact O-N 3.03Å; A154-R156 PolarHBondContact O-N 3.13Å
155	P	86.7	Confident	88.9	Confident	4 Å²	4	50 Å²	50	3%	0.026	25%	0.246	C	C	.	.			trans	-58.4	136.9	173.9	24.6	-32.7	0	0	0	110.3	F92 H109 L157	F92-P155 HydrophobicContact CD1-CB 4.39Å; F92-P155 HydrophobicContact CD2-CB 3.73Å; F92-P155 HydrophobicContact CE1-CB 4.4Å; F92-P155 HydrophobicContact CE1-CG 4.4Å; F92-P155 HydrophobicContact CE2-CB 3.75Å; F92-P155 HydrophobicContact CE2-CG 4.25Å; F92-P155 HydrophobicContact CG-CB 4.06Å; F92-P155 HydrophobicContact CZ-CB 4.11Å; F92-P155 HydrophobicContact CZ-CG 4.14Å; H109-P155 PolarHBondContact CD2-O 3.16Å; H109-P155 VanDerWaalsContact CD2-O 3.26Å; H109-P155 PolarHBondContact NE2-O 3.25Å; P155-L157 HydrophobicContact CB-CB 4.43Å; P155-L157 HydrophobicContact CB-CD1 4.22Å; P155-L157 HydrophobicContact CB-CG 4.3Å; P155-L157 PolarHBondContact O-N 2.82Å
156	R	84.6	Confident	89	Confident	108 Å²	108	53 Å²	53	41%	0.408	26%	0.256	S	S	.	.	S	Bend	trans	-82.2	58.9	177	-67.4	176.8	-177.5	173.7	8.7	110.7	F105 K107 A154	F105-R156 HydrophobicContact CB-CB 3.61Å; F105-R156 HydrophobicContact CB-CG 4.08Å; F105-R156 HydrophobicContact CD1-CB 4.15Å; F105-R156 HydrophobicContact CG-CB 4.12Å; F105-R156 HydrophobicContact CG-CG 4.48Å; K107-R156 CarbonylContact O-C 3.45Å; A154-R156 PolarHBondContact O-N 3.13Å
157	L	82.8	Confident	89	Confident	35 Å²	35	53 Å²	53	18%	0.183	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-124.1	41.9	-175.8	-70.3	178.1	0	0	0	110.3	F92 K107 P155 G159 M160 H162	F92-L157 HydrophobicContact CB-CD1 3.58Å; F92-L157 HydrophobicContact CD1-CD1 4.37Å; F92-L157 HydrophobicContact CG-CD1 4.15Å; K107-L157 PolarHBondContact O-N 3.21Å; P155-L157 HydrophobicContact CB-CB 4.43Å; P155-L157 HydrophobicContact CB-CD1 4.22Å; P155-L157 HydrophobicContact CB-CG 4.3Å; P155-L157 PolarHBondContact O-N 2.82Å; L157-G159 PolarHBondContact O-N 3.34Å; L157-M160 HydrophobicContact CB-CB 4.24Å; L157-M160 HydrophobicContact CD2-CE 4.29Å; L157-M160 HydrophobicContact CD2-SD 3.82Å; L157-M160 PolarHBondContact O-N 2.96Å; L157-H162 HydrophobicContact CD1-CB 4.17Å
158	C	84.3	Confident	89.1	Confident	10 Å²	10	52.9 Å²	52.9	7%	0.068	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	125.2	-176.8	-171	0	0	0	0	111.2	K107 K108 H109 C139 M160	K107-C158 HydrophobicContact CB-CB 4.12Å; K107-C158 WeakPolarHBondContact CD-O 3.41Å; K107-C158 VanDerWaalsContact O-CB 3.22Å; K107-C158 WeakPolarHBondContact O-CB 3.4Å; K107-C158 PolarHBondContact O-N 3.38Å; K108-C158 VanDerWaalsContact O-CB 3.28Å; K108-C158 WeakPolarHBondContact O-CB 3.22Å; H109-C158 VanDerWaalsContact CE1-CA 3.45Å; H109-C158 WeakPolarHBondContact CE1-CA 3.42Å; C139-C158 VanDerWaalsContact SG-SG 3.61Å; C158-M160 VanDerWaalsContact C-N 3.29Å; C158-M160 PolarHBondContact O-N 3.27Å
159	G	77.6	Confident	89.3	Confident	49 Å²	49	45.5 Å²	45.5	51%	0.505	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.7	-0.4	-178.4	0	0	0	0	0	115.3	L157	L157-G159 PolarHBondContact O-N 3.34Å
160	M	79.5	Confident	89.6	Confident	66 Å²	66	42.1 Å²	42.1	33%	0.325	21%	0.213	S	C	.	.			trans	-103.6	127.9	177.5	-61.7	175.8	67.2	0	0	111.3	K107 L157 C158 H162	K107-M160 HydrophobicContact CD-CG 4.32Å; K107-M160 HydrophobicContact CD-SD 4.17Å; L157-M160 HydrophobicContact CB-CB 4.24Å; L157-M160 HydrophobicContact CD2-CE 4.29Å; L157-M160 HydrophobicContact CD2-SD 3.82Å; L157-M160 PolarHBondContact O-N 2.96Å; C158-M160 VanDerWaalsContact C-N 3.29Å; C158-M160 PolarHBondContact O-N 3.27Å; M160-H162 PolarHBondContact O-N 2.78Å
161	D	81.7	Confident	89.8	Confident	64 Å²	64	42.1 Å²	42.1	34%	0.342	21%	0.213	S	C	.	.			trans	-86.4	89.9	-180	-177.4	17.6	0	0	0	112.6	T163 K284	D161-T163 VanDerWaalsContact C-N 3.26Å; D161-T163 PolarHBondContact O-N 3.44Å; D161-T163 WeakPolarHBondContact OD1-CB 3.29Å; D161-T163 PolarHBondContact OD1-N 2.78Å; D161-T163 PolarHBondContact OD1-OG1 3.47Å; D161-K284 PolarHBondContact O-NZ 3.06Å; D161-K284 IonicContact OD1-NZ 2.71Å; D161-K284 IonicContact OD2-NZ 2.62Å; D161-K284 PolarHBondContact OD2-NZ 3.13Å
162	H	84.4	Confident	90.1	Very high	19 Å²	19	40.6 Å²	40.6	9%	0.088	20%	0.204	C	C	.	.			trans	-83	4.8	175.4	65.1	-83.4	0	0	0	114.5	F92 L157 M160 I299	F92-H162 AromaticContact CD1-CD2 3.9Å; F92-H162 AromaticContact CE1-CD2 3.67Å; L157-H162 HydrophobicContact CD1-CB 4.17Å; M160-H162 PolarHBondContact O-N 2.78Å; H162-I299 HydrophobicContact CB-CD1 3.64Å
163	T	90.6	Very high	90.6	Very high	8 Å²	8	36.1 Å²	36.1	5%	0.049	17%	0.173	C	C	.	.			trans	-89.7	147	-178.4	72.5	0	0	0	0	110.6	H60 K62 D161 K284	H60-T163 CarbonylContact O-C 3.58Å; H60-T163 VanDerWaalsContact O-CA 3.24Å; H60-T163 WeakPolarHBondContact O-CA 3.32Å; H60-T163 WeakPolarHBondContact O-CB 3.3Å; K62-T163 HydrophobicContact CD-CG2 4.36Å; K62-T163 HydrophobicContact CG-CG2 4.15Å; D161-T163 VanDerWaalsContact C-N 3.26Å; D161-T163 PolarHBondContact O-N 3.44Å; D161-T163 WeakPolarHBondContact OD1-CB 3.29Å; D161-T163 PolarHBondContact OD1-N 2.78Å; D161-T163 PolarHBondContact OD1-OG1 3.47Å; T163-K284 WeakPolarHBondContact O-CE 3.39Å; T163-K284 PolarHBondContact O-NZ 3.03Å
164	E	94.5	Very high	90.9	Very high	5 Å²	5	35.3 Å²	35.3	2%	0.023	17%	0.173	C	C	.	.			trans	-125.9	81.8	173.7	-62.5	-177.9	-169.3	0	0	108.2	H60 C61 R166 R168 K284	H60-E164 IonicContact CE1-OE2 2.68Å; H60-E164 IonicContact NE2-OE2 3.76Å; H60-E164 PolarHBondContact O-N 3.11Å; C61-E164 WeakPolarHBondContact CA-O 3.35Å; C61-E164 WeakPolarHBondContact CB-O 3.2Å; E164-R166 VanDerWaalsContact C-N 3.29Å; E164-R166 PolarHBondContact O-N 3.24Å; E164-R168 IonicContact OE1-CZ 2.62Å; E164-R168 IonicContact OE1-NH1 2.76Å; E164-R168 PolarHBondContact OE1-NH1 2.97Å; E164-R168 VanDerWaalsContact OE1-NH1 3.15Å; E164-R168 VanDerWaalsContact OE2-CD 3.23Å; E164-R168 WeakPolarHBondContact OE2-CD 3.48Å; E164-R168 WeakPolarHBondContact OE2-CG 3.5Å; E164-K284 HydrophobicContact CG-CG 4.45Å
165	R	94.7	Very high	91.2	Very high	157 Å²	157	36.6 Å²	36.6	59%	0.592	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-29.6	-170.6	-59.5	-173.1	-173.1	-162	5	113.8	C61 K62	C61-R165 WeakPolarHBondContact O-CA 3.41Å; K62-R165 HydrophobicContact CB-CG 4.34Å; K62-R165 HydrophobicContact CG-CG 4.35Å
166	R	96.6	Very high	91.5	Very high	76 Å²	76	39.6 Å²	39.6	29%	0.287	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.4	12.1	-177.2	-62.5	172	170.7	-76.7	-3.4	113.6	E164 V191 M264 L285 L286	E164-R166 VanDerWaalsContact C-N 3.29Å; E164-R166 PolarHBondContact O-N 3.24Å; R166-V191 HydrophobicContact CB-CG2 4Å; R166-V191 HydrophobicContact CG-CG2 4.01Å; R166-M264 VanDerWaalsContact CD-O 3.3Å; R166-M264 WeakPolarHBondContact CD-O 3.21Å; R166-M264 PolarHBondContact NH1-O 2.86Å; R166-L285 HydrophobicContact CB-CB 3.88Å; R166-L285 WeakPolarHBondContact CB-O 3.41Å; R166-L285 WeakPolarHBondContact O-CD1 3.42Å; R166-L286 WeakPolarHBondContact CD-O 3.33Å
167	G	97	Very high	91.7	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.01	22%	0.222	C	C	.	.			trans	82	-163.6	-172.4	0	0	0	0	0	113.1	K188 N189 L285	G167-K188 WeakPolarHBondContact CA-O 3.2Å; G167-N189 WeakPolarHBondContact CA-O 3.43Å; G167-N189 PolarHBondContact N-O 2.77Å; G167-L285 PolarHBondContact O-N 3.38Å
168	R	97.3	Very high	92.1	Very high	7 Å²	7	42.1 Å²	42.1	3%	0.026	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	155.1	-175.8	61.4	-173.8	-60.6	163.3	-8.7	111.1	E164 A187 K188 W282 Y283 C298 D300	E164-R168 IonicContact OE1-CZ 2.62Å; E164-R168 IonicContact OE1-NH1 2.76Å; E164-R168 PolarHBondContact OE1-NH1 2.97Å; E164-R168 VanDerWaalsContact OE1-NH1 3.15Å; E164-R168 VanDerWaalsContact OE2-CD 3.23Å; E164-R168 WeakPolarHBondContact OE2-CD 3.48Å; E164-R168 WeakPolarHBondContact OE2-CG 3.5Å; R168-A187 CarbonylContact O-C 3.48Å; R168-A187 WeakPolarHBondContact O-CA 3.21Å; R168-A187 WeakPolarHBondContact O-CB 3.3Å; R168-K188 HydrophobicContact CG-CB 4.12Å; R168-K188 PolarHBondContact N-O 2.99Å; R168-K188 VanDerWaalsContact N-O 3.08Å; R168-K188 PolarHBondContact O-N 2.96Å; R168-W282 HydrophobicContact CB-CE3 4.02Å; R168-W282 HydrophobicContact CG-CE3 3.58Å; R168-W282 HydrophobicContact CG-CZ3 3.81Å; R168-Y283 CarbonylContact C-O 3.27Å; R168-Y283 WeakPolarHBondContact CA-O 3.24Å; R168-Y283 WeakPolarHBondContact CB-O 3.48Å; R168-C298 VanDerWaalsContact CZ-CB 3.41Å; R168-C298 PolarHBondContact NE-SG 2.93Å; R168-C298 VanDerWaalsContact NE-SG 3.35Å; R168-D300 IonicContact CZ-OD1 3.07Å; R168-D300 IonicContact CZ-OD2 2.8Å; R168-D300 IonicContact NH1-OD1 3.42Å; R168-D300 PolarHBondContact NH1-OD1 2.85Å; R168-D300 IonicContact NH1-OD2 3.41Å; R168-D300 PolarHBondContact NH1-OD2 2.89Å; R168-D300 IonicContact NH2-OD1 3.5Å; R168-D300 PolarHBondContact NH2-OD1 2.92Å; R168-D300 IonicContact NH2-OD2 3.55Å; R168-D300 PolarHBondContact NH2-OD2 3.35Å; R168-D300 VanDerWaalsContact NH2-OD2 3.15Å
169	M	97.9	Very high	92.6	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	139.5	177.7	-177.7	168.2	60.4	0	0	111.5	V171 I184 E186 A187 V203 W231 I250 V252 F267 W282 Y283 L285	M169-V171 HydrophobicContact CE-CG1 4.15Å; M169-V171 HydrophobicContact CG-CG1 4.14Å; M169-V171 HydrophobicContact SD-CG1 4.49Å; M169-I184 HydrophobicContact SD-CG2 4.44Å; M169-E186 WeakPolarHBondContact CA-O 3.42Å; M169-A187 HydrophobicContact CB-CB 4Å; M169-A187 HydrophobicContact CG-CB 4.11Å; M169-V203 HydrophobicContact SD-CG2 3.87Å; M169-W231 HydrophobicContact CG-CZ3 4.48Å; M169-W231 HydrophobicContact SD-CH2 4.41Å; M169-W231 HydrophobicContact SD-CZ3 3.97Å; M169-I250 HydrophobicContact CE-CB 4.29Å; M169-I250 HydrophobicContact CE-CG2 3.34Å; M169-V252 HydrophobicContact CE-CG2 3.76Å; M169-V252 HydrophobicContact SD-CG2 3.69Å; M169-F267 HydrophobicContact CB-CE1 4.09Å; M169-F267 HydrophobicContact CB-CZ 4.34Å; M169-F267 HydrophobicContact CE-CE1 3.54Å; M169-F267 HydrophobicContact CE-CE2 4.25Å; M169-F267 HydrophobicContact CE-CZ 3.31Å; M169-W282 VanDerWaalsContact C-CE3 3.48Å; M169-W282 WeakPolarHBondContact O-CA 3.29Å; M169-Y283 PolarHBondContact N-O 3.47Å; M169-Y283 PolarHBondContact O-N 2.8Å; M169-L285 HydrophobicContact CB-CD2 4.38Å; M169-L285 HydrophobicContact CB-CG 4.47Å; M169-L285 HydrophobicContact CE-CD2 4.2Å
170	K	98.3	Very high	93.5	Very high	72 Å²	72	44.4 Å²	44.4	31%	0.313	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	124.8	177	-166.9	-178.1	-176.7	179.7	0	110.1	F185 E186 S281 W282	K170-F185 HydrophobicContact CB-CB 4.18Å; K170-F185 HydrophobicContact CB-CD2 4.42Å; K170-F185 HydrophobicContact CD-CB 4.34Å; K170-F185 HydrophobicContact CD-CD2 4.23Å; K170-F185 HydrophobicContact CD-CG 4.44Å; K170-F185 HydrophobicContact CG-CB 4.37Å; K170-F185 HydrophobicContact CG-CD2 3.92Å; K170-F185 HydrophobicContact CG-CG 4.48Å; K170-F185 PolarHBondContact O-N 3.09Å; K170-F185 VanDerWaalsContact O-N 3.17Å; K170-E186 HydrophobicContact CB-CG 4.44Å; K170-E186 PolarHBondContact N-O 3.43Å; K170-S281 WeakPolarHBondContact CA-O 3.48Å; K170-W282 HydrophobicContact CB-CD2 3.7Å; K170-W282 HydrophobicContact CB-CE3 3.84Å; K170-W282 HydrophobicContact CB-CG 4.28Å; K170-W282 HydrophobicContact CB-CH2 4.03Å; K170-W282 HydrophobicContact CB-CZ2 3.9Å; K170-W282 HydrophobicContact CB-CZ3 4.01Å; K170-W282 HydrophobicContact CD-CZ2 4.18Å; K170-W282 HydrophobicContact CG-CD2 4.26Å; K170-W282 HydrophobicContact CG-CG 4.42Å
171	V	98.2	Very high	94.3	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	154.9	176.8	-59.8	0	0	0	0	110.8	M169 I173 E183 I184 F267 F269 S280 S281 Y283	M169-V171 HydrophobicContact CE-CG1 4.15Å; M169-V171 HydrophobicContact CG-CG1 4.14Å; M169-V171 HydrophobicContact SD-CG1 4.49Å; V171-I173 HydrophobicContact CG2-CD1 4.39Å; V171-I173 HydrophobicContact CG2-CG1 4.42Å; V171-E183 CarbonylContact C-O 3.59Å; V171-E183 VanDerWaalsContact CA-O 3.28Å; V171-E183 WeakPolarHBondContact CA-O 3.4Å; V171-I184 HydrophobicContact CG1-CD1 3.7Å; V171-F267 HydrophobicContact CG1-CE2 4.35Å; V171-F267 HydrophobicContact CG1-CZ 3.99Å; V171-F267 HydrophobicContact CG2-CE2 3.96Å; V171-F267 HydrophobicContact CG2-CZ 4.09Å; V171-F269 HydrophobicContact CG2-CE2 4.39Å; V171-F269 HydrophobicContact CG2-CZ 4.37Å; V171-S280 WeakPolarHBondContact O-CA 3.44Å; V171-S281 PolarHBondContact N-O 3.08Å; V171-S281 VanDerWaalsContact N-O 3.13Å; V171-S281 PolarHBondContact O-N 2.77Å; V171-S281 VanDerWaalsContact O-N 3.11Å; V171-Y283 HydrophobicContact CG2-CD2 3.77Å; V171-Y283 HydrophobicContact CG2-CE2 3.93Å
172	S	98.2	Very high	95.1	Very high	12 Å²	12	40.2 Å²	40.2	8%	0.084	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	131.1	165.4	166.4	0	0	0	0	108.9	E183 V279	S172-E183 PolarHBondContact N-O 2.79Å; S172-E183 PolarHBondContact O-N 3.33Å; S172-E183 PolarHBondContact OG-OE2 2.76Å; S172-V279 CarbonylContact C-O 3.11Å; S172-V279 VanDerWaalsContact CA-O 3.27Å; S172-V279 WeakPolarHBondContact CA-O 3.33Å
173	I	98	Very high	95.8	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	119.3	-178.4	-46.1	176.3	0	0	0	108	V171 K181 V182 L248 F269 I274 S278 V279	V171-I173 HydrophobicContact CG2-CD1 4.39Å; V171-I173 HydrophobicContact CG2-CG1 4.42Å; I173-K181 WeakPolarHBondContact CA-O 3.37Å; I173-V182 HydrophobicContact CG1-CG1 4.37Å; I173-V182 HydrophobicContact CG2-CG2 4.29Å; I173-L248 HydrophobicContact CD1-CD2 3.88Å; I173-L248 HydrophobicContact CG2-CD2 3.78Å; I173-F269 HydrophobicContact CD1-CD2 3.36Å; I173-F269 HydrophobicContact CD1-CE2 3.37Å; I173-F269 HydrophobicContact CD1-CG 4.14Å; I173-F269 HydrophobicContact CD1-CZ 4.15Å; I173-I274 HydrophobicContact CB-CD1 4.26Å; I173-I274 HydrophobicContact CB-CG2 4.46Å; I173-I274 HydrophobicContact CG2-CD1 4.31Å; I173-I274 HydrophobicContact CG2-CG1 4.32Å; I173-I274 HydrophobicContact CG2-CG2 3.69Å; I173-S278 WeakPolarHBondContact O-CA 3.4Å; I173-S278 WeakPolarHBondContact O-CB 3.05Å; I173-V279 HydrophobicContact CB-CG2 3.8Å; I173-V279 HydrophobicContact CD1-CG2 4.17Å; I173-V279 HydrophobicContact CG1-CG2 4.02Å; I173-V279 PolarHBondContact N-O 2.99Å; I173-V279 PolarHBondContact O-N 3.2Å
174	T	97.6	Very high	96.1	Very high	45 Å²	45	40.8 Å²	40.8	28%	0.276	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	130.3	-176.9	-50.4	0	0	0	0	109.8	K181	T174-K181 PolarHBondContact N-O 3.4Å; T174-K181 PolarHBondContact O-N 3.33Å
175	A	94.2	Very high	96.3	Very high	31 Å²	31	43.1 Å²	43.1	26%	0.256	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	133.1	171.5	0	0	0	0	0	110.6	L180 I274 I275	A175-L180 HydrophobicContact CB-CD2 4.04Å; A175-I274 HydrophobicContact CB-CG2 4.47Å; A175-I275 HydrophobicContact CB-CB 4.47Å; A175-I275 HydrophobicContact CB-CG1 4.17Å
176	Q	93.4	Very high	96.5	Very high	66 Å²	66	37.9 Å²	37.9	31%	0.308	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	166.3	171.1	-58.4	-175.8	-11.4	0	0	107.8	G178 R179	Q176-G178 PolarHBondContact O-N 3.26Å; Q176-R179 CarbonylContact C-O 3.59Å; Q176-R179 WeakPolarHBondContact CA-O 3.04Å; Q176-R179 HydrophobicContact CB-CG 3.86Å; Q176-R179 PolarHBondContact N-O 2.56Å; Q176-R179 PolarHBondContact O-N 3.32Å
177	T	89.4	Confident	96.6	Very high	150 Å²	150	34.3 Å²	34.3	92%	0.92	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.6	111.8	-179.9	-46.3	0	0	0	0	111.1	R179	T177-R179 VanDerWaalsContact C-N 3.26Å; T177-R179 PolarHBondContact O-N 3.1Å
178	G	91.2	Very high	96.6	Very high	46 Å²	46	37.6 Å²	37.6	47%	0.474	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	69	9.5	179.1	0	0	0	0	0	116.2	Q176 I239	Q176-G178 PolarHBondContact O-N 3.26Å; G178-I239 PolarHBondContact O-N 2.67Å
179	R	94.5	Very high	96.5	Very high	107 Å²	107	37.5 Å²	37.5	40%	0.404	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	152.9	179.7	68.8	-174	-172.2	-178.8	-1.8	113.6	Q176 T177 L237	Q176-R179 CarbonylContact C-O 3.59Å; Q176-R179 WeakPolarHBondContact CA-O 3.04Å; Q176-R179 HydrophobicContact CB-CG 3.86Å; Q176-R179 PolarHBondContact N-O 2.56Å; Q176-R179 PolarHBondContact O-N 3.32Å; T177-R179 VanDerWaalsContact C-N 3.26Å; T177-R179 PolarHBondContact O-N 3.1Å; R179-L237 CarbonylContact C-O 3.56Å; R179-L237 WeakPolarHBondContact CA-O 3.48Å; R179-L237 WeakPolarHBondContact CB-O 3.44Å
180	L	95.9	Very high	96.5	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	128.3	167.2	-58.4	-178.7	0	0	0	109.6	A175 V182 Y236 L237 I239 L248 V271 I274	A175-L180 HydrophobicContact CB-CD2 4.04Å; L180-V182 HydrophobicContact CB-CG2 4.4Å; L180-Y236 WeakPolarHBondContact O-CA 3.31Å; L180-L237 HydrophobicContact CB-CB 4.5Å; L180-L237 PolarHBondContact N-O 3.45Å; L180-L237 PolarHBondContact O-N 2.86Å; L180-I239 HydrophobicContact CD1-CG2 4.07Å; L180-I239 HydrophobicContact CD2-CD1 3.89Å; L180-I239 HydrophobicContact CG-CD1 4.1Å; L180-I239 HydrophobicContact CG-CG2 3.88Å; L180-L248 HydrophobicContact CD1-CD2 3.94Å; L180-V271 HydrophobicContact CD1-CG1 4.49Å; L180-V271 HydrophobicContact CD1-CG2 4.38Å; L180-I274 HydrophobicContact CD2-CG2 3.79Å
181	K	97.6	Very high	96.3	Very high	43 Å²	43	35.2 Å²	35.2	19%	0.187	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	120.4	165.7	-176.1	-168	179.8	-149.1	0	107.7	I173 T174 E183 T234 Y236	I173-K181 WeakPolarHBondContact CA-O 3.37Å; T174-K181 PolarHBondContact N-O 3.4Å; T174-K181 PolarHBondContact O-N 3.33Å; K181-E183 HydrophobicContact CD-CG 4.4Å; K181-E183 WeakPolarHBondContact CE-OE1 3.14Å; K181-E183 WeakPolarHBondContact CE-OE2 3.23Å; K181-E183 HydrophobicContact CG-CG 4.35Å; K181-E183 IonicContact NZ-OE1 3.78Å; K181-E183 PolarHBondContact NZ-OE1 3.04Å; K181-E183 IonicContact NZ-OE2 3.63Å; K181-E183 PolarHBondContact NZ-OE2 2.89Å; K181-T234 HydrophobicContact CG-CG2 3.95Å; K181-Y236 HydrophobicContact CB-CD1 4.24Å; K181-Y236 HydrophobicContact CB-CE1 4.03Å; K181-Y236 HydrophobicContact CD-CE1 4.35Å; K181-Y236 HydrophobicContact CG-CD1 4.31Å; K181-Y236 HydrophobicContact CG-CE1 3.75Å
182	V	97.9	Very high	96.1	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	113.3	-178.9	-172.9	0	0	0	0	108.9	I173 L180 I184 I205 T234 F235 L248 I250	I173-V182 HydrophobicContact CG1-CG1 4.37Å; I173-V182 HydrophobicContact CG2-CG2 4.29Å; L180-V182 HydrophobicContact CB-CG2 4.4Å; V182-I184 HydrophobicContact CG1-CD1 3.89Å; V182-I184 HydrophobicContact CG1-CG1 4.5Å; V182-I205 HydrophobicContact CB-CD1 4.47Å; V182-I205 HydrophobicContact CG1-CD1 3.96Å; V182-T234 CarbonylContact O-C 3.52Å; V182-T234 WeakPolarHBondContact O-CA 3.24Å; V182-F235 HydrophobicContact CB-CB 4.33Å; V182-F235 PolarHBondContact N-O 3.07Å; V182-F235 PolarHBondContact O-N 3.39Å; V182-L248 HydrophobicContact CG2-CD2 3.75Å; V182-I250 HydrophobicContact CG1-CD1 3.97Å
183	E	98.4	Very high	95.9	Very high	37 Å²	37	38.8 Å²	38.8	17%	0.173	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	117.9	179.1	-63.4	175.8	105.7	0	0	109.3	V171 S172 K181 F185 T234	V171-E183 CarbonylContact C-O 3.59Å; V171-E183 VanDerWaalsContact CA-O 3.28Å; V171-E183 WeakPolarHBondContact CA-O 3.4Å; S172-E183 PolarHBondContact N-O 2.79Å; S172-E183 PolarHBondContact O-N 3.33Å; S172-E183 PolarHBondContact OG-OE2 2.76Å; K181-E183 HydrophobicContact CD-CG 4.4Å; K181-E183 WeakPolarHBondContact CE-OE1 3.14Å; K181-E183 WeakPolarHBondContact CE-OE2 3.23Å; K181-E183 HydrophobicContact CG-CG 4.35Å; K181-E183 IonicContact NZ-OE1 3.78Å; K181-E183 PolarHBondContact NZ-OE1 3.04Å; K181-E183 IonicContact NZ-OE2 3.63Å; K181-E183 PolarHBondContact NZ-OE2 2.89Å; E183-F185 HydrophobicContact CB-CE1 4.49Å; E183-F185 HydrophobicContact CB-CE2 4.11Å; E183-F185 HydrophobicContact CB-CZ 3.92Å; E183-T234 HydrophobicContact CG-CG2 3.94Å
184	I	98.5	Very high	95.6	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	111.7	178.1	-54.5	-57.5	0	0	0	108.1	M169 V171 V182 V203 I205 T220 W231 N232 E233 F235 I250	M169-I184 HydrophobicContact SD-CG2 4.44Å; V171-I184 HydrophobicContact CG1-CD1 3.7Å; V182-I184 HydrophobicContact CG1-CD1 3.89Å; V182-I184 HydrophobicContact CG1-CG1 4.5Å; I184-V203 HydrophobicContact CD1-CG1 4.32Å; I184-V203 HydrophobicContact CG2-CB 4.46Å; I184-V203 HydrophobicContact CG2-CG2 3.95Å; I184-I205 HydrophobicContact CD1-CD1 4.14Å; I184-I205 HydrophobicContact CG1-CD1 3.92Å; I184-T220 HydrophobicContact CB-CG2 4.27Å; I184-T220 HydrophobicContact CG1-CG2 4.36Å; I184-T220 HydrophobicContact CG2-CG2 4.14Å; I184-W231 HydrophobicContact CG2-CB 4.28Å; I184-W231 HydrophobicContact CG2-CD2 4.18Å; I184-W231 HydrophobicContact CG2-CE3 3.72Å; I184-W231 HydrophobicContact CG2-CG 4.45Å; I184-W231 HydrophobicContact CG2-CZ3 4.36Å; I184-N232 CarbonylContact O-C 3.57Å; I184-N232 VanDerWaalsContact O-CA 3.24Å; I184-N232 WeakPolarHBondContact O-CA 3.18Å; I184-N232 PolarHBondContact O-N 3.44Å; I184-N232 VanDerWaalsContact O-N 3.07Å; I184-E233 PolarHBondContact N-O 2.89Å; I184-E233 PolarHBondContact O-N 3.14Å; I184-F235 HydrophobicContact CG1-CD2 4.15Å; I184-F235 HydrophobicContact CG1-CE2 4.07Å; I184-I250 HydrophobicContact CD1-CG2 4.1Å
185	F	98.5	Very high	95.2	Very high	55 Å²	55	44.4 Å²	44.4	24%	0.241	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	-80.7	-176.4	-61	-76	0	0	0	111.4	K170 E183 W231 N232	K170-F185 HydrophobicContact CB-CB 4.18Å; K170-F185 HydrophobicContact CB-CD2 4.42Å; K170-F185 HydrophobicContact CD-CB 4.34Å; K170-F185 HydrophobicContact CD-CD2 4.23Å; K170-F185 HydrophobicContact CD-CG 4.44Å; K170-F185 HydrophobicContact CG-CB 4.37Å; K170-F185 HydrophobicContact CG-CD2 3.92Å; K170-F185 HydrophobicContact CG-CG 4.48Å; K170-F185 PolarHBondContact O-N 3.09Å; K170-F185 VanDerWaalsContact O-N 3.17Å; E183-F185 HydrophobicContact CB-CE1 4.49Å; E183-F185 HydrophobicContact CB-CE2 4.11Å; E183-F185 HydrophobicContact CB-CZ 3.92Å; F185-W231 PolarHBondContact O-N 3.18Å; F185-N232 PolarHBondContact O-N 3.36Å
186	E	98.4	Very high	95	Very high	47 Å²	47	47.2 Å²	47.2	22%	0.22	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	157.9	-172.5	53.2	164	171.5	0	0	111	M169 K170 K188 P229 V230 W282	M169-E186 WeakPolarHBondContact CA-O 3.42Å; K170-E186 HydrophobicContact CB-CG 4.44Å; K170-E186 PolarHBondContact N-O 3.43Å; E186-K188 IonicContact OE1-NZ 3.87Å; E186-K188 PolarHBondContact OE1-NZ 2.77Å; E186-K188 WeakPolarHBondContact OE2-CE 3.21Å; E186-K188 IonicContact OE2-NZ 3.91Å; E186-K188 PolarHBondContact OE2-NZ 3.36Å; E186-P229 CarbonylContact C-O 3.37Å; E186-P229 WeakPolarHBondContact CA-O 3.49Å; E186-P229 VanDerWaalsContact CB-O 3.29Å; E186-P229 WeakPolarHBondContact CB-O 3.42Å; E186-V230 HydrophobicContact CB-CB 4.41Å; E186-V230 HydrophobicContact CB-CG2 4Å; E186-W282 HydrophobicContact CG-CH2 3.6Å; E186-W282 HydrophobicContact CG-CZ2 3.99Å; E186-W282 VanDerWaalsContact OE1-CZ2 3.3Å; E186-W282 WeakPolarHBondContact OE1-CZ2 3.37Å
187	A	98.5	Very high	94.8	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	157.3	167.3	0	0	0	0	0	110.7	R168 M169 L190 N228 P229 W231	R168-A187 CarbonylContact O-C 3.48Å; R168-A187 WeakPolarHBondContact O-CA 3.21Å; R168-A187 WeakPolarHBondContact O-CB 3.3Å; M169-A187 HydrophobicContact CB-CB 4Å; M169-A187 HydrophobicContact CG-CB 4.11Å; A187-L190 HydrophobicContact CB-CD1 4.22Å; A187-L190 HydrophobicContact CB-CD2 3.88Å; A187-L190 HydrophobicContact CB-CG 4.15Å; A187-N228 CarbonylContact O-C 3.55Å; A187-N228 WeakPolarHBondContact O-CA 3.42Å; A187-P229 HydrophobicContact CB-CG 3.92Å; A187-P229 PolarHBondContact N-O 2.76Å; A187-P229 WeakPolarHBondContact O-CD 3.44Å; A187-W231 HydrophobicContact CB-CH2 3.91Å; A187-W231 HydrophobicContact CB-CZ3 3.71Å
188	K	97.2	Very high	95	Very high	70 Å²	70	40.8 Å²	40.8	30%	0.304	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	145.4	-179.2	-72.9	179	-177.4	159.5	0	111.3	G167 R168 E186 L190 L227 N228 W282	G167-K188 WeakPolarHBondContact CA-O 3.2Å; R168-K188 HydrophobicContact CG-CB 4.12Å; R168-K188 PolarHBondContact N-O 2.99Å; R168-K188 VanDerWaalsContact N-O 3.08Å; R168-K188 PolarHBondContact O-N 2.96Å; E186-K188 IonicContact OE1-NZ 3.87Å; E186-K188 PolarHBondContact OE1-NZ 2.77Å; E186-K188 WeakPolarHBondContact OE2-CE 3.21Å; E186-K188 IonicContact OE2-NZ 3.91Å; E186-K188 PolarHBondContact OE2-NZ 3.36Å; K188-L190 VanDerWaalsContact C-N 3.26Å; K188-L190 PolarHBondContact O-N 3.24Å; K188-L227 CarbonylContact C-O 3.52Å; K188-N228 WeakPolarHBondContact CA-OD1 3.32Å; K188-W282 HydrophobicContact CB-CH2 4.38Å; K188-W282 HydrophobicContact CB-CZ3 4.27Å; K188-W282 HydrophobicContact CD-CH2 3.59Å; K188-W282 HydrophobicContact CD-CZ2 4.12Å; K188-W282 HydrophobicContact CD-CZ3 4.25Å; K188-W282 HydrophobicContact CG-CH2 3.76Å; K188-W282 HydrophobicContact CG-CZ3 4.12Å
189	N	96	Very high	95.2	Very high	5 Å²	5	38.6 Å²	38.6	3%	0.027	20%	0.2	C	C	.	.	S	Bend	trans	52	44.5	174.9	-169.2	44.8	0	0	0	112.9	R85 C86 L89 G167 L227 N228	R85-N189 WeakPolarHBondContact CD-OD1 3.43Å; R85-N189 WeakPolarHBondContact CG-OD1 3.22Å; R85-N189 PolarHBondContact NE-OD1 3.22Å; C86-N189 PolarHBondContact SG-ND2 3.35Å; C86-N189 VanDerWaalsContact SG-ND2 3.44Å; L89-N189 HydrophobicContact CD1-CB 3.33Å; G167-N189 WeakPolarHBondContact CA-O 3.43Å; G167-N189 PolarHBondContact N-O 2.77Å; N189-L227 PolarHBondContact N-O 2.93Å; N189-L227 VanDerWaalsContact N-O 3.11Å; N189-N228 PolarHBondContact N-OD1 3.17Å
190	L	97.4	Very high	95.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-60.5	158.4	172.9	-62.9	-177.8	0	0	0	111.4	A187 K188 P201 L227 P229 V252 M264 L285	A187-L190 HydrophobicContact CB-CD1 4.22Å; A187-L190 HydrophobicContact CB-CD2 3.88Å; A187-L190 HydrophobicContact CB-CG 4.15Å; K188-L190 VanDerWaalsContact C-N 3.26Å; K188-L190 PolarHBondContact O-N 3.24Å; L190-P201 HydrophobicContact CD1-CB 3.63Å; L190-P201 HydrophobicContact CD1-CG 3.85Å; L190-L227 HydrophobicContact CB-CB 4.31Å; L190-L227 HydrophobicContact CB-CD2 4.27Å; L190-L227 WeakPolarHBondContact CG-O 3.4Å; L190-L227 PolarHBondContact N-O 3.43Å; L190-P229 HydrophobicContact CD1-CG 3.77Å; L190-V252 HydrophobicContact CD1-CG1 4.16Å; L190-V252 HydrophobicContact CD2-CG1 4.43Å; L190-M264 HydrophobicContact CB-CE 3.7Å; L190-M264 HydrophobicContact CD1-CE 3.95Å; L190-M264 HydrophobicContact CD1-SD 4.33Å; L190-M264 HydrophobicContact CG-CE 4.37Å; L190-L285 HydrophobicContact CD2-CD1 3.23Å
191	V	94.1	Very high	95.5	Very high	24 Å²	24	34.3 Å²	34.3	15%	0.145	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-69.7	131	175	-170.9	0	0	0	0	109.2	R166 M193 M264	R166-V191 HydrophobicContact CB-CG2 4Å; R166-V191 HydrophobicContact CG-CG2 4.01Å; V191-M193 HydrophobicContact CB-SD 4Å; V191-M193 HydrophobicContact CG1-SD 3.87Å; V191-M193 PolarHBondContact O-N 3.44Å; V191-M264 WeakPolarHBondContact O-CE 3.4Å
192	P	92.9	Very high	95.6	Very high	32 Å²	32	32.8 Å²	32.8	21%	0.208	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-60.6	126	166.2	-23.2	34.4	0	0	0	110.8	R85 G197 L198 L227	R85-P192 VanDerWaalsContact NH2-CD 3.31Å; P192-G197 WeakPolarHBondContact CB-O 3.14Å; P192-L198 WeakPolarHBondContact CA-O 3.07Å; P192-L227 HydrophobicContact CG-CD1 3.91Å; P192-L227 HydrophobicContact CG-CD2 4.41Å
193	M	93.8	Very high	95.6	Very high	56 Å²	56	32.8 Å²	32.8	28%	0.276	18%	0.179	S	C	.	.			trans	-115.1	-25.2	177.2	-54.9	-56	-93.1	0	0	110.4	V191 L198 D254 D262 F263 M264	V191-M193 HydrophobicContact CB-SD 4Å; V191-M193 HydrophobicContact CG1-SD 3.87Å; V191-M193 PolarHBondContact O-N 3.44Å; M193-L198 PolarHBondContact N-O 2.99Å; M193-D254 HydrophobicContact CB-CB 3.94Å; M193-D254 WeakPolarHBondContact CB-OD2 3.37Å; M193-D254 HydrophobicContact CG-CB 3.98Å; M193-D262 HydrophobicContact CE-CB 3.68Å; M193-F263 VanDerWaalsContact CE-O 3.26Å; M193-F263 WeakPolarHBondContact CE-O 3.31Å; M193-M264 HydrophobicContact CE-CG 4.38Å; M193-M264 HydrophobicContact CG-CE 3.88Å; M193-M264 HydrophobicContact CG-CG 3.95Å
194	D	92.8	Very high	95.5	Very high	27 Å²	27	33.5 Å²	33.5	14%	0.144	18%	0.181	C	C	.	.	S	Bend	trans	-86.1	152.2	178.5	-75.3	-43.7	0	0	0	113.7	N196 G197 L198 A199	D194-N196 WeakPolarHBondContact CB-OD1 3.25Å; D194-N196 PolarHBondContact O-N 2.96Å; D194-N196 VanDerWaalsContact O-N 3.08Å; D194-G197 PolarHBondContact O-N 2.83Å; D194-L198 WeakPolarHBondContact CB-O 3.35Å; D194-L198 PolarHBondContact N-O 3.34Å; D194-A199 VanDerWaalsContact OD2-CA 3.28Å; D194-A199 WeakPolarHBondContact OD2-CA 3.2Å
195	P	89.6	Confident	95.4	Very high	136 Å²	136	33.4 Å²	33.4	88%	0.883	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-23.1	171.6	-25.6	34.4	0	0	0	115	G197	P195-G197 PolarHBondContact O-N 2.89Å
196	N	88.5	Confident	95.2	Very high	89 Å²	89	32.7 Å²	32.7	48%	0.476	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-4.3	177.2	65.9	16.7	0	0	0	113	D194 L198	D194-N196 WeakPolarHBondContact CB-OD1 3.25Å; D194-N196 PolarHBondContact O-N 2.96Å; D194-N196 VanDerWaalsContact O-N 3.08Å; N196-L198 WeakPolarHBondContact OD1-CA 3.45Å; N196-L198 VanDerWaalsContact OD1-CB 3.23Å; N196-L198 WeakPolarHBondContact OD1-CB 3.43Å; N196-L198 PolarHBondContact OD1-N 3.5Å
197	G	89.3	Confident	94.9	Very high	18 Å²	18	31.1 Å²	31.1	19%	0.186	17%	0.171	C	C	.	.	S	Bend	trans	81.5	13.8	-176.6	0	0	0	0	0	114.6	P192 D194 P195	P192-G197 WeakPolarHBondContact CB-O 3.14Å; D194-G197 PolarHBondContact O-N 2.83Å; P195-G197 PolarHBondContact O-N 2.89Å
198	L	94.2	Very high	94.6	Very high	63 Å²	63	32.4 Å²	32.4	33%	0.33	18%	0.178	S	C	.	.			trans	-121.8	-158.6	178.2	-55.4	168.7	0	0	0	109.8	P192 M193 D194 N196 S225 L227	P192-L198 WeakPolarHBondContact CA-O 3.07Å; M193-L198 PolarHBondContact N-O 2.99Å; D194-L198 WeakPolarHBondContact CB-O 3.35Å; D194-L198 PolarHBondContact N-O 3.34Å; N196-L198 WeakPolarHBondContact OD1-CA 3.45Å; N196-L198 VanDerWaalsContact OD1-CB 3.23Å; N196-L198 WeakPolarHBondContact OD1-CB 3.43Å; N196-L198 PolarHBondContact OD1-N 3.5Å; L198-S225 WeakPolarHBondContact CD1-O 3.42Å; L198-L227 HydrophobicContact CD2-CD1 4.41Å; L198-L227 HydrophobicContact CD2-CG 4.12Å
199	A	96.1	Very high	94.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.193	C	C	.	.			trans	-157.4	164.2	176.5	0	0	0	0	0	109	D194 P201 S225 T226 L227 D254 M264	D194-A199 VanDerWaalsContact OD2-CA 3.28Å; D194-A199 WeakPolarHBondContact OD2-CA 3.2Å; A199-P201 WeakPolarHBondContact O-CD 3.27Å; A199-S225 CarbonylContact O-C 3.46Å; A199-S225 WeakPolarHBondContact O-CA 3.25Å; A199-S225 PolarHBondContact O-N 2.87Å; A199-S225 VanDerWaalsContact O-N 3.08Å; A199-T226 PolarHBondContact O-N 3.1Å; A199-L227 HydrophobicContact CB-CD2 3.92Å; A199-D254 WeakPolarHBondContact CA-OD1 3.44Å; A199-D254 WeakPolarHBondContact CB-OD1 3.39Å; A199-M264 HydrophobicContact CB-CE 3.4Å; A199-M264 HydrophobicContact CB-SD 4.3Å
200	D	97.9	Very high	93.5	Very high	18 Å²	18	36.4 Å²	36.4	10%	0.096	21%	0.212	C	C	.	.			trans	-110.1	66.9	170.2	-74.6	-23	0	0	0	111.2	V222 C223 R224 S225 D254 W255	D200-V222 HydrophobicContact CB-CG1 3.93Å; D200-V222 WeakPolarHBondContact O-CG1 3.29Å; D200-C223 CarbonylContact C-O 3.55Å; D200-C223 VanDerWaalsContact C-O 3.27Å; D200-C223 WeakPolarHBondContact CA-O 3.46Å; D200-R224 WeakPolarHBondContact OD1-CA 3.45Å; D200-R224 WeakPolarHBondContact OD1-CD 3.36Å; D200-R224 IonicContact OD2-CZ 3.07Å; D200-R224 IonicContact OD2-NH1 2.65Å; D200-R224 PolarHBondContact OD2-NH1 3.04Å; D200-S225 PolarHBondContact OD1-N 3.38Å; D200-D254 WeakPolarHBondContact CA-OD1 3.25Å; D200-D254 PolarHBondContact N-OD1 3.26Å; D200-W255 HydrophobicContact CB-CB 4.21Å; D200-W255 WeakPolarHBondContact O-CB 3.39Å; D200-W255 PolarHBondContact O-N 3.34Å
201	P	98.4	Very high	92.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	142.9	-167.6	30.1	-40.4	0	0	0	114.8	L190 A199 C223 T226 P229 W231 V252 W253 M264	L190-P201 HydrophobicContact CD1-CB 3.63Å; L190-P201 HydrophobicContact CD1-CG 3.85Å; A199-P201 WeakPolarHBondContact O-CD 3.27Å; P201-C223 WeakPolarHBondContact CD-O 3.29Å; P201-C223 HydrophobicContact CG-CB 4.26Å; P201-C223 PolarHBondContact O-N 2.83Å; P201-T226 WeakPolarHBondContact CD-O 3.37Å; P201-T226 HydrophobicContact CG-CG2 4.16Å; P201-P229 HydrophobicContact CB-CG 4.15Å; P201-P229 HydrophobicContact CG-CB 3.69Å; P201-P229 HydrophobicContact CG-CG 3.56Å; P201-W231 HydrophobicContact CB-CZ2 4Å; P201-W231 HydrophobicContact CG-CZ2 4.37Å; P201-V252 HydrophobicContact CB-CG1 4.16Å; P201-W253 CarbonylContact C-O 3.4Å; P201-W253 VanDerWaalsContact CA-O 3.3Å; P201-W253 WeakPolarHBondContact CA-O 3.23Å; P201-M264 HydrophobicContact CB-SD 3.91Å
202	Y	98.4	Very high	91	Very high	10 Å²	10	48.8 Å²	48.8	4%	0.039	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	161.3	165.9	71.1	-74.5	0	0	0	110.9	K204 K219 V222 V252 W253 W255 N261	Y202-K204 HydrophobicContact CD2-CG 4.35Å; Y202-K204 HydrophobicContact CE2-CD 4.26Å; Y202-K204 VanDerWaalsContact CE2-CE 3.46Å; Y202-K204 HydrophobicContact CE2-CG 3.74Å; Y202-K204 WeakPolarHBondContact OH-CE 3.38Å; Y202-K204 PolarHBondContact OH-NZ 2.76Å; Y202-K219 HydrophobicContact CD2-CB 4.43Å; Y202-V222 HydrophobicContact CD1-CG2 4.25Å; Y202-V222 HydrophobicContact CG-CG2 4.24Å; Y202-V252 WeakPolarHBondContact O-CA 3.41Å; Y202-W253 HydrophobicContact CD1-CB 4.01Å; Y202-W253 VanDerWaalsContact CD1-O 3.28Å; Y202-W253 WeakPolarHBondContact CD1-O 3.27Å; Y202-W253 HydrophobicContact CE1-CB 3.33Å; Y202-W253 HydrophobicContact CE1-CG 4.43Å; Y202-W253 HydrophobicContact CE2-CB 4.1Å; Y202-W253 PolarHBondContact N-O 2.89Å; Y202-W253 PolarHBondContact O-N 2.75Å; Y202-W253 WeakPolarHBondContact OH-CB 3.49Å; Y202-W255 HydrophobicContact CD1-CB 3.86Å; Y202-W255 HydrophobicContact CE1-CB 3.95Å; Y202-N261 HydrophobicContact CE1-CB 4.47Å; Y202-N261 PolarHBondContact OH-ND2 3.04Å
203	V	98.4	Very high	89.5	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	137.2	-177	-177.1	0	0	0	0	110	M169 I184 I205 K219 T220 W231 I250 E251 V252	M169-V203 HydrophobicContact SD-CG2 3.87Å; I184-V203 HydrophobicContact CD1-CG1 4.32Å; I184-V203 HydrophobicContact CG2-CB 4.46Å; I184-V203 HydrophobicContact CG2-CG2 3.95Å; V203-I205 HydrophobicContact CG1-CG1 4.21Å; V203-K219 CarbonylContact O-C 3.58Å; V203-K219 WeakPolarHBondContact O-CA 3.28Å; V203-K219 WeakPolarHBondContact O-CB 3.43Å; V203-T220 HydrophobicContact CB-CG2 3.89Å; V203-T220 HydrophobicContact CG2-CG2 4.37Å; V203-T220 PolarHBondContact N-OG1 2.77Å; V203-T220 PolarHBondContact O-N 3.18Å; V203-W231 HydrophobicContact CG2-CD2 4.21Å; V203-W231 HydrophobicContact CG2-CE3 4.18Å; V203-W231 HydrophobicContact CG2-CH2 3.66Å; V203-W231 HydrophobicContact CG2-CZ2 3.73Å; V203-W231 HydrophobicContact CG2-CZ3 3.9Å; V203-I250 HydrophobicContact CG1-CG2 3.45Å; V203-I250 VanDerWaalsContact CG1-CG2 3.45Å; V203-E251 CarbonylContact C-O 3.49Å; V203-E251 VanDerWaalsContact CA-O 3.28Å; V203-E251 WeakPolarHBondContact CA-O 3.36Å; V203-V252 HydrophobicContact CG2-CG2 4.34Å
204	K	97	Very high	87.7	Confident	52 Å²	52	50.6 Å²	50.6	23%	0.226	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	137.9	165.8	-63.7	-177.4	-167.9	155.2	0	109.7	Y202 L218 E251 W253	Y202-K204 HydrophobicContact CD2-CG 4.35Å; Y202-K204 HydrophobicContact CE2-CD 4.26Å; Y202-K204 VanDerWaalsContact CE2-CE 3.46Å; Y202-K204 HydrophobicContact CE2-CG 3.74Å; Y202-K204 WeakPolarHBondContact OH-CE 3.38Å; Y202-K204 PolarHBondContact OH-NZ 2.76Å; K204-L218 WeakPolarHBondContact CA-O 3.36Å; K204-E251 HydrophobicContact CB-CB 4.44Å; K204-E251 PolarHBondContact N-O 3.24Å; K204-E251 PolarHBondContact O-N 3.42Å; K204-W253 HydrophobicContact CD-CG 4.36Å; K204-W253 VanDerWaalsContact NZ-CE2 3.35Å
205	I	96.6	Very high	86.2	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	124.9	178	-54.3	166.3	0	0	0	107.9	V182 I184 V203 L218 F235 L248 S249 I250	V182-I205 HydrophobicContact CB-CD1 4.47Å; V182-I205 HydrophobicContact CG1-CD1 3.96Å; I184-I205 HydrophobicContact CD1-CD1 4.14Å; I184-I205 HydrophobicContact CG1-CD1 3.92Å; V203-I205 HydrophobicContact CG1-CG1 4.21Å; I205-L218 HydrophobicContact CB-CB 4.21Å; I205-L218 PolarHBondContact N-O 2.91Å; I205-L218 PolarHBondContact O-N 3.07Å; I205-F235 HydrophobicContact CD1-CB 4Å; I205-F235 HydrophobicContact CD1-CD1 4.38Å; I205-F235 HydrophobicContact CD1-CD2 3.29Å; I205-F235 HydrophobicContact CD1-CE2 3.8Å; I205-F235 HydrophobicContact CD1-CG 3.62Å; I205-L248 HydrophobicContact CG2-CD1 3.64Å; I205-S249 WeakPolarHBondContact CA-O 3.45Å; I205-I250 HydrophobicContact CB-CD1 4.28Å; I205-I250 HydrophobicContact CG1-CD1 3.89Å; I205-I250 HydrophobicContact CG2-CD1 3.84Å
206	K	93.9	Very high	85	Confident	40 Å²	40	51.5 Å²	51.5	17%	0.174	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	162.2	-177.2	63.1	-177.2	179.3	-175.7	0	111.7	L208 S249 E251	K206-L208 HydrophobicContact CD-CD2 4.35Å; K206-S249 PolarHBondContact N-O 3.33Å; K206-S249 VanDerWaalsContact N-O 3.1Å; K206-S249 PolarHBondContact O-N 2.73Å; K206-E251 WeakPolarHBondContact CE-OE1 3.17Å; K206-E251 WeakPolarHBondContact CE-OE2 3.39Å; K206-E251 IonicContact NZ-OE1 2.74Å; K206-E251 PolarHBondContact NZ-OE1 3.39Å; K206-E251 IonicContact NZ-OE2 3.01Å; K206-E251 PolarHBondContact NZ-OE2 3.4Å; K206-E251 VanDerWaalsContact NZ-OE2 3.07Å
207	L	93	Very high	84.7	Confident	13 Å²	13	54.2 Å²	54.2	7%	0.068	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	145.1	166.9	-66.1	172.8	0	0	0	110.9	P209 S210 K215 L237 D243 K246 R247 L248 V271	L207-P209 CarbonylContact O-C 3.51Å; L207-S210 PolarHBondContact O-N 3.3Å; L207-S210 PolarHBondContact O-OG 2.87Å; L207-S210 VanDerWaalsContact O-OG 3.13Å; L207-K215 HydrophobicContact CD1-CD 4.33Å; L207-L237 HydrophobicContact CD1-CD2 4.08Å; L207-L237 HydrophobicContact CD2-CD2 3.75Å; L207-L237 HydrophobicContact CG-CD2 3.74Å; L207-D243 HydrophobicContact CD1-CB 4.13Å; L207-K246 HydrophobicContact CB-CB 4.43Å; L207-K246 HydrophobicContact CB-CD 4.08Å; L207-K246 HydrophobicContact CD1-CD 4.31Å; L207-K246 HydrophobicContact CD2-CB 4.47Å; L207-R247 CarbonylContact C-O 3.46Å; L207-R247 VanDerWaalsContact CA-O 3.32Å; L207-R247 WeakPolarHBondContact CA-O 3.34Å; L207-L248 HydrophobicContact CD2-CB 4.36Å; L207-L248 HydrophobicContact CD2-CD1 4.46Å; L207-V271 HydrophobicContact CD2-CG2 3.75Å
208	L	91.2	Very high	84.9	Confident	28 Å²	28	55.4 Å²	55.4	15%	0.147	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	136.2	173.5	-66.6	-179.4	0	0	0	110.6	K206 K246 R247 E292	K206-L208 HydrophobicContact CD-CD2 4.35Å; L208-K246 CarbonylContact O-C 3.49Å; L208-K246 VanDerWaalsContact O-CA 3.26Å; L208-K246 WeakPolarHBondContact O-CA 3.46Å; L208-K246 VanDerWaalsContact O-CB 3.24Å; L208-K246 WeakPolarHBondContact O-CB 3.43Å; L208-R247 PolarHBondContact N-O 3.26Å; L208-R247 PolarHBondContact O-N 2.75Å; L208-E292 HydrophobicContact CD1-CB 4.23Å; L208-E292 HydrophobicContact CD1-CG 3.89Å
209	P	87.7	Confident	85	Confident	98 Å²	98	59.4 Å²	59.4	64%	0.636	34%	0.335	S	S	*	.	S	Bend	cis	-62.3	150.9	-11.1	28.4	-35.2	0	0	0	111.2	L207	L207-P209 CarbonylContact O-C 3.51Å
210	S	82.5	Confident	85.1	Confident	60 Å²	60	59.8 Å²	59.8	42%	0.42	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-76.5	134.7	177.5	-62.7	0	0	0	0	110.3	L207	L207-S210 PolarHBondContact O-N 3.3Å; L207-S210 PolarHBondContact O-OG 2.87Å; L207-S210 VanDerWaalsContact O-OG 3.13Å
211	D	74.3	Confident	85.1	Confident	69 Å²	69	66.5 Å²	66.5	37%	0.369	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-68	141.8	177	-56.8	-46.2	0	0	0	110.8	G213 G214 K246	D211-G213 PolarHBondContact O-N 2.95Å; D211-G213 VanDerWaalsContact O-N 3.13Å; D211-G214 PolarHBondContact O-N 3.07Å; D211-K246 IonicContact OD1-NZ 2.69Å; D211-K246 PolarHBondContact OD1-NZ 2.87Å; D211-K246 IonicContact OD2-NZ 3.15Å; D211-K246 PolarHBondContact OD2-NZ 3.27Å
212	E	63.8	Low	85.1	Confident	215 Å²	215	68.6 Å²	68.6	100%	1.005	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-24.7	177.9	-66.6	179.8	173.7	0	0	112.6
213	G	61.7	Low	85.1	Confident	81 Å²	81	69.4 Å²	69.4	84%	0.835	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	2.9	174.8	0	0	0	0	0	115.9	D211	D211-G213 PolarHBondContact O-N 2.95Å; D211-G213 VanDerWaalsContact O-N 3.13Å
214	G	56.7	Low	85	Confident	46 Å²	46	75.5 Å²	75.5	47%	0.474	41%	0.408	S	S	.	.			trans	51.4	94.7	166.5	0	0	0	0	0	118.3	D211 S216	D211-G214 PolarHBondContact O-N 3.07Å; G214-S216 PolarHBondContact O-N 2.96Å
215	K	61.6	Low	85	Confident	84 Å²	84	76 Å²	76	37%	0.365	42%	0.418	S	S	.	.			trans	-49.8	135.6	149.5	-72.7	-176.2	179.5	-176.3	0	108.5	L207 K217 S238 D243	L207-K215 HydrophobicContact CD1-CD 4.33Å; K215-K217 PolarHBondContact O-N 3.46Å; K215-K217 VanDerWaalsContact O-N 3.13Å; K215-S238 PolarHBondContact NZ-O 2.9Å; K215-D243 IonicContact NZ-OD1 3.15Å; K215-D243 IonicContact NZ-OD2 3.58Å; K215-D243 PolarHBondContact NZ-OD2 3.25Å
216	S	64.6	Low	85	Confident	98 Å²	98	77.5 Å²	77.5	69%	0.685	43%	0.428	S	S	*	.			trans	-52	119.6	-174.2	-40.2	0	0	0	0	110.7	G214 L218	G214-S216 PolarHBondContact O-N 2.96Å; S216-L218 PolarHBondContact O-N 3.18Å; S216-L218 VanDerWaalsContact O-N 3.15Å
217	K	80.9	Confident	85.1	Confident	145 Å²	145	76.1 Å²	76.1	63%	0.63	42%	0.422	S	S	*	.			trans	-64.3	114.9	172.3	-64.7	178.3	-177.7	173.2	0	107.9	K215	K215-K217 PolarHBondContact O-N 3.46Å; K215-K217 VanDerWaalsContact O-N 3.13Å
218	L	94.4	Very high	85.4	Confident	43 Å²	43	79.6 Å²	79.6	23%	0.225	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	147.7	178.1	-56.4	175	0	0	0	109	K204 I205 S216 F235	K204-L218 WeakPolarHBondContact CA-O 3.36Å; I205-L218 HydrophobicContact CB-CB 4.21Å; I205-L218 PolarHBondContact N-O 2.91Å; I205-L218 PolarHBondContact O-N 3.07Å; S216-L218 PolarHBondContact O-N 3.18Å; S216-L218 VanDerWaalsContact O-N 3.15Å; L218-F235 HydrophobicContact CB-CD1 3.84Å; L218-F235 HydrophobicContact CB-CE1 4.29Å; L218-F235 HydrophobicContact CB-CG 4.48Å; L218-F235 HydrophobicContact CD1-CB 3.87Å; L218-F235 HydrophobicContact CD1-CD1 4.09Å; L218-F235 HydrophobicContact CD1-CG 4.34Å; L218-F235 HydrophobicContact CG-CD1 4.39Å
219	K	96.5	Very high	85.7	Confident	147 Å²	147	78.4 Å²	78.4	64%	0.639	43%	0.434	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-147.3	148.3	178.1	66	-178.9	-177.9	179.7	0	112.3	Y202 V203 F235	Y202-K219 HydrophobicContact CD2-CB 4.43Å; V203-K219 CarbonylContact O-C 3.58Å; V203-K219 WeakPolarHBondContact O-CA 3.28Å; V203-K219 WeakPolarHBondContact O-CB 3.43Å; K219-F235 WeakPolarHBondContact O-CE1 3.08Å
220	T	98.3	Very high	86.2	Confident	8 Å²	8	77.3 Å²	77.3	5%	0.049	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-78.8	172.7	171.4	62.3	0	0	0	0	112	I184 V203 W231 E233 F235	I184-T220 HydrophobicContact CB-CG2 4.27Å; I184-T220 HydrophobicContact CG1-CG2 4.36Å; I184-T220 HydrophobicContact CG2-CG2 4.14Å; V203-T220 HydrophobicContact CB-CG2 3.89Å; V203-T220 HydrophobicContact CG2-CG2 4.37Å; V203-T220 PolarHBondContact N-OG1 2.77Å; V203-T220 PolarHBondContact O-N 3.18Å; T220-W231 HydrophobicContact CG2-CB 4.26Å; T220-W231 HydrophobicContact CG2-CG 4.11Å; T220-W231 VanDerWaalsContact OG1-CD1 3.31Å; T220-W231 PolarHBondContact OG1-NE1 3.01Å; T220-E233 WeakPolarHBondContact CA-OE2 3.28Å; T220-E233 WeakPolarHBondContact CB-OE1 3.21Å; T220-E233 HydrophobicContact CG2-CB 4.26Å; T220-F235 HydrophobicContact CG2-CE2 3.61Å; T220-F235 HydrophobicContact CG2-CZ 3.7Å
221	K	97.8	Very high	87	Confident	159 Å²	159	75.4 Å²	75.4	69%	0.691	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-64.8	152.1	164	-63	175.3	-174.3	173.1	0	110.8	W231 E233	K221-W231 PolarHBondContact O-NE1 2.94Å; K221-E233 WeakPolarHBondContact CB-OE1 3.4Å; K221-E233 WeakPolarHBondContact CG-OE1 3.32Å; K221-E233 PolarHBondContact N-OE1 2.82Å
222	V	97.9	Very high	88.1	Confident	45 Å²	45	77.4 Å²	77.4	27%	0.273	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-78.6	120.9	172.8	179.1	0	0	0	0	108.8	D200 Y202 W255	D200-V222 HydrophobicContact CB-CG1 3.93Å; D200-V222 WeakPolarHBondContact O-CG1 3.29Å; Y202-V222 HydrophobicContact CD1-CG2 4.25Å; Y202-V222 HydrophobicContact CG-CG2 4.24Å; V222-W255 HydrophobicContact CG1-CB 3.76Å; V222-W255 HydrophobicContact CG1-CG 4.23Å; V222-W255 HydrophobicContact CG2-CB 3.91Å; V222-W255 HydrophobicContact CG2-CG 3.9Å
223	C	97.8	Very high	89.8	Confident	26 Å²	26	69 Å²	69	18%	0.176	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-87.6	124.9	170.4	-73.1	0	0	0	0	108.3	D200 P201 T226 P229	D200-C223 CarbonylContact C-O 3.55Å; D200-C223 VanDerWaalsContact C-O 3.27Å; D200-C223 WeakPolarHBondContact CA-O 3.46Å; P201-C223 WeakPolarHBondContact CD-O 3.29Å; P201-C223 HydrophobicContact CG-CB 4.26Å; P201-C223 PolarHBondContact O-N 2.83Å; C223-T226 HydrophobicContact CB-CG2 3.78Å; C223-P229 HydrophobicContact CB-CB 3.61Å
224	R	96.9	Very high	91.5	Very high	128 Å²	128	68.2 Å²	68.2	48%	0.483	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-86.5	138.5	-173.6	-63.4	-66.3	-177.6	173.5	-6.6	112.9	D200 T226	D200-R224 WeakPolarHBondContact OD1-CA 3.45Å; D200-R224 WeakPolarHBondContact OD1-CD 3.36Å; D200-R224 IonicContact OD2-CZ 3.07Å; D200-R224 IonicContact OD2-NH1 2.65Å; D200-R224 PolarHBondContact OD2-NH1 3.04Å; R224-T226 PolarHBondContact O-N 3.29Å
225	S	96.2	Very high	93.4	Very high	62 Å²	62	67.2 Å²	67.2	43%	0.434	34%	0.343	S	S	.	.	S	Bend	trans	47.3	55.9	167.4	-57.5	0	0	0	0	112.4	L198 A199 D200	L198-S225 WeakPolarHBondContact CD1-O 3.42Å; A199-S225 CarbonylContact O-C 3.46Å; A199-S225 WeakPolarHBondContact O-CA 3.25Å; A199-S225 PolarHBondContact O-N 2.87Å; A199-S225 VanDerWaalsContact O-N 3.08Å; D200-S225 PolarHBondContact OD1-N 3.38Å
226	T	97.5	Very high	95	Very high	33 Å²	33	68.8 Å²	68.8	20%	0.202	35%	0.347	C	S	.	.			trans	-148.8	142.6	-179.1	-176	0	0	0	0	112	A199 P201 C223 R224 N228 P229	A199-T226 PolarHBondContact O-N 3.1Å; P201-T226 WeakPolarHBondContact CD-O 3.37Å; P201-T226 HydrophobicContact CG-CG2 4.16Å; C223-T226 HydrophobicContact CB-CG2 3.78Å; R224-T226 PolarHBondContact O-N 3.29Å; T226-N228 PolarHBondContact OG1-N 2.68Å; T226-N228 PolarHBondContact OG1-O 3.36Å; T226-P229 HydrophobicContact CG2-CB 3.96Å
227	L	96.4	Very high	96.4	Very high	11 Å²	11	64.6 Å²	64.6	6%	0.058	32%	0.317	C	S	.	.	S	Bend	trans	-100.4	1.1	169	-56.4	178.2	0	0	0	112.4	K188 N189 L190 P192 L198 A199 P229	K188-L227 CarbonylContact C-O 3.52Å; N189-L227 PolarHBondContact N-O 2.93Å; N189-L227 VanDerWaalsContact N-O 3.11Å; L190-L227 HydrophobicContact CB-CB 4.31Å; L190-L227 HydrophobicContact CB-CD2 4.27Å; L190-L227 WeakPolarHBondContact CG-O 3.4Å; L190-L227 PolarHBondContact N-O 3.43Å; P192-L227 HydrophobicContact CG-CD1 3.91Å; P192-L227 HydrophobicContact CG-CD2 4.41Å; L198-L227 HydrophobicContact CD2-CD1 4.41Å; L198-L227 HydrophobicContact CD2-CG 4.12Å; A199-L227 HydrophobicContact CB-CD2 3.92Å; L227-P229 VanDerWaalsContact C-CD 3.45Å
228	N	97.8	Very high	96.9	Very high	86 Å²	86	61.7 Å²	61.7	46%	0.46	32%	0.315	S	S	.	.	S	Bend	trans	-132.2	62.2	180	-51.7	-74.8	0	0	0	109.9	A187 K188 N189 T226	A187-N228 CarbonylContact O-C 3.55Å; A187-N228 WeakPolarHBondContact O-CA 3.42Å; K188-N228 WeakPolarHBondContact CA-OD1 3.32Å; N189-N228 PolarHBondContact N-OD1 3.17Å; T226-N228 PolarHBondContact OG1-N 2.68Å; T226-N228 PolarHBondContact OG1-O 3.36Å
229	P	98.4	Very high	96.8	Very high	2 Å²	2	60.6 Å²	60.6	1%	0.013	31%	0.309	C	S	.	.			trans	-69.2	147.8	-177.7	30.8	-38.2	0	0	0	112.3	E186 A187 L190 P201 C223 T226 L227 W231	E186-P229 CarbonylContact C-O 3.37Å; E186-P229 WeakPolarHBondContact CA-O 3.49Å; E186-P229 VanDerWaalsContact CB-O 3.29Å; E186-P229 WeakPolarHBondContact CB-O 3.42Å; A187-P229 HydrophobicContact CB-CG 3.92Å; A187-P229 PolarHBondContact N-O 2.76Å; A187-P229 WeakPolarHBondContact O-CD 3.44Å; L190-P229 HydrophobicContact CD1-CG 3.77Å; P201-P229 HydrophobicContact CB-CG 4.15Å; P201-P229 HydrophobicContact CG-CB 3.69Å; P201-P229 HydrophobicContact CG-CG 3.56Å; C223-P229 HydrophobicContact CB-CB 3.61Å; T226-P229 HydrophobicContact CG2-CB 3.96Å; L227-P229 VanDerWaalsContact C-CD 3.45Å; P229-W231 HydrophobicContact CB-CD2 4.31Å; P229-W231 HydrophobicContact CB-CE3 4.43Å; P229-W231 HydrophobicContact CB-CH2 3.86Å; P229-W231 HydrophobicContact CB-CZ2 3.66Å; P229-W231 HydrophobicContact CB-CZ3 4.22Å; P229-W231 HydrophobicContact CG-CE3 4.34Å; P229-W231 HydrophobicContact CG-CH2 3.18Å; P229-W231 HydrophobicContact CG-CZ2 3.46Å; P229-W231 VanDerWaalsContact CG-CZ2 3.46Å; P229-W231 HydrophobicContact CG-CZ3 3.66Å
230	V	98.5	Very high	96.5	Very high	76 Å²	76	56.3 Å²	56.3	46%	0.461	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	113	172.1	-178.6	0	0	0	0	107.4	E186 N232	E186-V230 HydrophobicContact CB-CB 4.41Å; E186-V230 HydrophobicContact CB-CG2 4Å; V230-N232 WeakPolarHBondContact CG1-ND2 3.39Å
231	W	98.5	Very high	96	Very high	20 Å²	20	62.1 Å²	62.1	8%	0.076	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	-49.6	179.8	-62.7	-79.6	0	0	0	111.6	M169 I184 F185 A187 P201 V203 T220 K221 P229 E233 V252	M169-W231 HydrophobicContact CG-CZ3 4.48Å; M169-W231 HydrophobicContact SD-CH2 4.41Å; M169-W231 HydrophobicContact SD-CZ3 3.97Å; I184-W231 HydrophobicContact CG2-CB 4.28Å; I184-W231 HydrophobicContact CG2-CD2 4.18Å; I184-W231 HydrophobicContact CG2-CE3 3.72Å; I184-W231 HydrophobicContact CG2-CG 4.45Å; I184-W231 HydrophobicContact CG2-CZ3 4.36Å; F185-W231 PolarHBondContact O-N 3.18Å; A187-W231 HydrophobicContact CB-CH2 3.91Å; A187-W231 HydrophobicContact CB-CZ3 3.71Å; P201-W231 HydrophobicContact CB-CZ2 4Å; P201-W231 HydrophobicContact CG-CZ2 4.37Å; V203-W231 HydrophobicContact CG2-CD2 4.21Å; V203-W231 HydrophobicContact CG2-CE3 4.18Å; V203-W231 HydrophobicContact CG2-CH2 3.66Å; V203-W231 HydrophobicContact CG2-CZ2 3.73Å; V203-W231 HydrophobicContact CG2-CZ3 3.9Å; T220-W231 HydrophobicContact CG2-CB 4.26Å; T220-W231 HydrophobicContact CG2-CG 4.11Å; T220-W231 VanDerWaalsContact OG1-CD1 3.31Å; T220-W231 PolarHBondContact OG1-NE1 3.01Å; K221-W231 PolarHBondContact O-NE1 2.94Å; P229-W231 HydrophobicContact CB-CD2 4.31Å; P229-W231 HydrophobicContact CB-CE3 4.43Å; P229-W231 HydrophobicContact CB-CH2 3.86Å; P229-W231 HydrophobicContact CB-CZ2 3.66Å; P229-W231 HydrophobicContact CB-CZ3 4.22Å; P229-W231 HydrophobicContact CG-CE3 4.34Å; P229-W231 HydrophobicContact CG-CH2 3.18Å; P229-W231 HydrophobicContact CG-CZ2 3.46Å; P229-W231 VanDerWaalsContact CG-CZ2 3.46Å; P229-W231 HydrophobicContact CG-CZ3 3.66Å; W231-E233 VanDerWaalsContact C-N 3.28Å; W231-E233 HydrophobicContact CB-CG 4.26Å; W231-E233 PolarHBondContact O-N 2.97Å; W231-V252 HydrophobicContact CH2-CG1 4.46Å
232	N	98.2	Very high	95.5	Very high	110 Å²	110	60.9 Å²	60.9	59%	0.588	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	49.3	47.7	-173.1	-64.7	-36.8	0	0	0	112.8	I184 F185 V230	I184-N232 CarbonylContact O-C 3.57Å; I184-N232 VanDerWaalsContact O-CA 3.24Å; I184-N232 WeakPolarHBondContact O-CA 3.18Å; I184-N232 PolarHBondContact O-N 3.44Å; I184-N232 VanDerWaalsContact O-N 3.07Å; F185-N232 PolarHBondContact O-N 3.36Å; V230-N232 WeakPolarHBondContact CG1-ND2 3.39Å
233	E	98.6	Very high	95.1	Very high	38 Å²	38	58.9 Å²	58.9	18%	0.178	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	143.6	-178.7	-67.5	-175.1	-133.2	0	0	110.7	I184 T220 K221 W231 F235	I184-E233 PolarHBondContact N-O 2.89Å; I184-E233 PolarHBondContact O-N 3.14Å; T220-E233 WeakPolarHBondContact CA-OE2 3.28Å; T220-E233 WeakPolarHBondContact CB-OE1 3.21Å; T220-E233 HydrophobicContact CG2-CB 4.26Å; K221-E233 WeakPolarHBondContact CB-OE1 3.4Å; K221-E233 WeakPolarHBondContact CG-OE1 3.32Å; K221-E233 PolarHBondContact N-OE1 2.82Å; W231-E233 VanDerWaalsContact C-N 3.28Å; W231-E233 HydrophobicContact CB-CG 4.26Å; W231-E233 PolarHBondContact O-N 2.97Å; E233-F235 HydrophobicContact CB-CE2 3.64Å; E233-F235 HydrophobicContact CB-CZ 3.93Å; E233-F235 WeakPolarHBondContact OE2-CZ 3.43Å
234	T	98.2	Very high	94.8	Very high	65 Å²	65	60.4 Å²	60.4	40%	0.399	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	134.7	177.4	-58.4	0	0	0	0	110.1	K181 V182 E183 Y236	K181-T234 HydrophobicContact CG-CG2 3.95Å; V182-T234 CarbonylContact O-C 3.52Å; V182-T234 WeakPolarHBondContact O-CA 3.24Å; E183-T234 HydrophobicContact CG-CG2 3.94Å; T234-Y236 HydrophobicContact CG2-CE2 3.93Å
235	F	97.2	Very high	94.4	Very high	25 Å²	25	56.2 Å²	56.2	11%	0.11	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	152.2	-179.7	-61.6	-85.6	0	0	0	110.3	V182 I184 I205 L218 K219 T220 E233	V182-F235 HydrophobicContact CB-CB 4.33Å; V182-F235 PolarHBondContact N-O 3.07Å; V182-F235 PolarHBondContact O-N 3.39Å; I184-F235 HydrophobicContact CG1-CD2 4.15Å; I184-F235 HydrophobicContact CG1-CE2 4.07Å; I205-F235 HydrophobicContact CD1-CB 4Å; I205-F235 HydrophobicContact CD1-CD1 4.38Å; I205-F235 HydrophobicContact CD1-CD2 3.29Å; I205-F235 HydrophobicContact CD1-CE2 3.8Å; I205-F235 HydrophobicContact CD1-CG 3.62Å; L218-F235 HydrophobicContact CB-CD1 3.84Å; L218-F235 HydrophobicContact CB-CE1 4.29Å; L218-F235 HydrophobicContact CB-CG 4.48Å; L218-F235 HydrophobicContact CD1-CB 3.87Å; L218-F235 HydrophobicContact CD1-CD1 4.09Å; L218-F235 HydrophobicContact CD1-CG 4.34Å; L218-F235 HydrophobicContact CG-CD1 4.39Å; K219-F235 WeakPolarHBondContact O-CE1 3.08Å; T220-F235 HydrophobicContact CG2-CE2 3.61Å; T220-F235 HydrophobicContact CG2-CZ 3.7Å; E233-F235 HydrophobicContact CB-CE2 3.64Å; E233-F235 HydrophobicContact CB-CZ 3.93Å; E233-F235 WeakPolarHBondContact OE2-CZ 3.43Å
236	Y	95.1	Very high	94.2	Very high	117 Å²	117	54.2 Å²	54.2	46%	0.459	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	121.9	175.1	-63.7	-87.1	0	0	0	108.8	L180 K181 T234	L180-Y236 WeakPolarHBondContact O-CA 3.31Å; K181-Y236 HydrophobicContact CB-CD1 4.24Å; K181-Y236 HydrophobicContact CB-CE1 4.03Å; K181-Y236 HydrophobicContact CD-CE1 4.35Å; K181-Y236 HydrophobicContact CG-CD1 4.31Å; K181-Y236 HydrophobicContact CG-CE1 3.75Å; T234-Y236 HydrophobicContact CG2-CE2 3.93Å
237	L	93.1	Very high	94	Very high	11 Å²	11	53.8 Å²	53.8	6%	0.058	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	119.5	179.3	-177	75.8	0	0	0	109.1	R179 L180 L207 L248	R179-L237 CarbonylContact C-O 3.56Å; R179-L237 WeakPolarHBondContact CA-O 3.48Å; R179-L237 WeakPolarHBondContact CB-O 3.44Å; L180-L237 HydrophobicContact CB-CB 4.5Å; L180-L237 PolarHBondContact N-O 3.45Å; L180-L237 PolarHBondContact O-N 2.86Å; L207-L237 HydrophobicContact CD1-CD2 4.08Å; L207-L237 HydrophobicContact CD2-CD2 3.75Å; L207-L237 HydrophobicContact CG-CD2 3.74Å; L237-L248 HydrophobicContact CD2-CD1 3.77Å
238	S	92.2	Very high	94	Very high	84 Å²	84	53.3 Å²	53.3	59%	0.587	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.1	131	176.7	-57.6	0	0	0	0	110.3	K215	K215-S238 PolarHBondContact NZ-O 2.9Å
239	I	91.4	Very high	94	Very high	20 Å²	20	49.2 Å²	49.2	10%	0.103	27%	0.265	C	S	.	.			trans	-120	141.2	179.6	54.9	165.4	0	0	0	110.4	G178 L180 D243 V271 I275	G178-I239 PolarHBondContact O-N 2.67Å; L180-I239 HydrophobicContact CD1-CG2 4.07Å; L180-I239 HydrophobicContact CD2-CD1 3.89Å; L180-I239 HydrophobicContact CG-CD1 4.1Å; L180-I239 HydrophobicContact CG-CG2 3.88Å; I239-D243 WeakPolarHBondContact CA-OD2 3.29Å; I239-D243 HydrophobicContact CB-CB 4.42Å; I239-D243 HydrophobicContact CG2-CB 4.5Å; I239-V271 HydrophobicContact CD1-CG1 4.32Å; I239-V271 HydrophobicContact CG2-CG1 4.39Å; I239-I275 HydrophobicContact CD1-CD1 4.01Å; I239-I275 HydrophobicContact CD1-CG1 4.32Å
240	S	91	Very high	93.9	Very high	57 Å²	57	49.1 Å²	49.1	40%	0.399	27%	0.265	S	S	.	.			trans	-114	172.8	168.6	55.1	0	0	0	0	110.4	D242 D243 H244	S240-D242 PolarHBondContact O-N 3.38Å; S240-D243 PolarHBondContact N-OD2 2.91Å; S240-D243 WeakPolarHBondContact O-CB 3.46Å; S240-D243 PolarHBondContact O-N 3.25Å; S240-D243 PolarHBondContact OG-OD2 3.46Å; S240-H244 PolarHBondContact O-CD2 3.22Å
241	D	87.2	Confident	93.9	Very high	129 Å²	129	45.6 Å²	45.6	69%	0.69	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-57.5	-36.5	178.4	-63.7	-32.2	0	0	0	112.2	D243 H244	D241-D243 PolarHBondContact O-N 3.11Å; D241-H244 VanDerWaalsContact O-CB 3.28Å; D241-H244 WeakPolarHBondContact O-CB 3.2Å; D241-H244 PolarHBondContact O-N 3.13Å; D241-H244 VanDerWaalsContact O-N 3.07Å; D241-H244 IonicContact OD1-CE1 3.45Å; D241-H244 PolarHBondContact OD1-CE1 2.92Å; D241-H244 IonicContact OD1-NE2 4Å
242	D	86.9	Confident	93.9	Very high	134 Å²	134	44.7 Å²	44.7	72%	0.717	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-63	-20.1	174.7	-64.4	-34.3	0	0	0	113.9	S240	S240-D242 PolarHBondContact O-N 3.38Å
243	D	90.6	Very high	93.9	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.011	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-86.4	-8.4	177	-60.8	-52.3	0	0	0	112.7	L207 K215 I239 S240 D241 S245 K246 V271	L207-D243 HydrophobicContact CD1-CB 4.13Å; K215-D243 IonicContact NZ-OD1 3.15Å; K215-D243 IonicContact NZ-OD2 3.58Å; K215-D243 PolarHBondContact NZ-OD2 3.25Å; I239-D243 WeakPolarHBondContact CA-OD2 3.29Å; I239-D243 HydrophobicContact CB-CB 4.42Å; I239-D243 HydrophobicContact CG2-CB 4.5Å; S240-D243 PolarHBondContact N-OD2 2.91Å; S240-D243 WeakPolarHBondContact O-CB 3.46Å; S240-D243 PolarHBondContact O-N 3.25Å; S240-D243 PolarHBondContact OG-OD2 3.46Å; D241-D243 PolarHBondContact O-N 3.11Å; D243-S245 PolarHBondContact O-N 3.37Å; D243-K246 HydrophobicContact CB-CD 4.39Å; D243-K246 WeakPolarHBondContact O-CB 3.43Å; D243-K246 PolarHBondContact O-N 3.31Å; D243-K246 WeakPolarHBondContact OD1-CD 3.45Å; D243-K246 WeakPolarHBondContact OD1-CE 3.48Å; D243-K246 IonicContact OD1-NZ 2.9Å; D243-K246 PolarHBondContact OD1-NZ 2.69Å; D243-V271 WeakPolarHBondContact O-CB 3.44Å
244	H	90.3	Very high	93.9	Very high	59 Å²	59	39.7 Å²	39.7	27%	0.273	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-27.8	-177.7	-72	-175.9	0	0	0	112.7	S240 D241 S272	S240-H244 PolarHBondContact O-CD2 3.22Å; D241-H244 VanDerWaalsContact O-CB 3.28Å; D241-H244 WeakPolarHBondContact O-CB 3.2Å; D241-H244 PolarHBondContact O-N 3.13Å; D241-H244 VanDerWaalsContact O-N 3.07Å; D241-H244 IonicContact OD1-CE1 3.45Å; D241-H244 PolarHBondContact OD1-CE1 2.92Å; D241-H244 IonicContact OD1-NE2 4Å; H244-S272 PolarHBondContact O-N 3.28Å; H244-S272 PolarHBondContact O-OG 2.86Å
245	S	88.5	Confident	93.8	Very high	39 Å²	39	40 Å²	40	27%	0.273	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	3.3	174.9	71.3	0	0	0	0	114.2	D243 Q621 K625	D243-S245 PolarHBondContact O-N 3.37Å; S245-Q621 PolarHBondContact O-NE2 3.38Å; S245-K625 WeakPolarHBondContact OG-CD 3.47Å
246	K	92.4	Very high	93.7	Very high	21 Å²	21	40 Å²	40	9%	0.091	21%	0.206	C	C	.	.	S	Bend	trans	-90.8	168.6	174	-64.4	-173.8	-172.8	162.1	0	110.6	L207 L208 D211 D243 V271 Q621	L207-K246 HydrophobicContact CB-CB 4.43Å; L207-K246 HydrophobicContact CB-CD 4.08Å; L207-K246 HydrophobicContact CD1-CD 4.31Å; L207-K246 HydrophobicContact CD2-CB 4.47Å; L208-K246 CarbonylContact O-C 3.49Å; L208-K246 VanDerWaalsContact O-CA 3.26Å; L208-K246 WeakPolarHBondContact O-CA 3.46Å; L208-K246 VanDerWaalsContact O-CB 3.24Å; L208-K246 WeakPolarHBondContact O-CB 3.43Å; D211-K246 IonicContact OD1-NZ 2.69Å; D211-K246 PolarHBondContact OD1-NZ 2.87Å; D211-K246 IonicContact OD2-NZ 3.15Å; D211-K246 PolarHBondContact OD2-NZ 3.27Å; D243-K246 HydrophobicContact CB-CD 4.39Å; D243-K246 WeakPolarHBondContact O-CB 3.43Å; D243-K246 PolarHBondContact O-N 3.31Å; D243-K246 WeakPolarHBondContact OD1-CD 3.45Å; D243-K246 WeakPolarHBondContact OD1-CE 3.48Å; D243-K246 IonicContact OD1-NZ 2.9Å; D243-K246 PolarHBondContact OD1-NZ 2.69Å; K246-V271 WeakPolarHBondContact O-CG2 3.44Å; K246-V271 PolarHBondContact O-N 3.14Å; K246-Q621 VanDerWaalsContact C-NE2 3.34Å; K246-Q621 PolarHBondContact O-NE2 3.09Å; K246-Q621 PolarHBondContact O-OE1 2.84Å
247	R	94.5	Very high	93.4	Very high	24 Å²	24	44.5 Å²	44.5	9%	0.091	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	136.3	174	-59.1	-170.9	67	78	2.6	111	L207 L208 S249 S268 F269 E273 E292 F293	L207-R247 CarbonylContact C-O 3.46Å; L207-R247 VanDerWaalsContact CA-O 3.32Å; L207-R247 WeakPolarHBondContact CA-O 3.34Å; L208-R247 PolarHBondContact N-O 3.26Å; L208-R247 PolarHBondContact O-N 2.75Å; R247-S249 PolarHBondContact O-N 3.26Å; R247-S268 PolarHBondContact NE-OG 3.35Å; R247-S268 PolarHBondContact NH2-O 2.56Å; R247-F269 CarbonylContact C-O 3.28Å; R247-F269 WeakPolarHBondContact CA-O 3.26Å; R247-F269 WeakPolarHBondContact CB-O 3.41Å; R247-E273 IonicContact NH1-OE1 3.27Å; R247-E273 PolarHBondContact NH1-OE1 3.17Å; R247-E273 VanDerWaalsContact NH1-OE1 3.07Å; R247-E292 WeakPolarHBondContact CD-O 3.42Å; R247-F293 VanDerWaalsContact CZ-O 3.24Å; R247-F293 PolarHBondContact NE-O 3Å; R247-F293 PolarHBondContact NH2-O 3.13Å
248	L	95.7	Very high	93.1	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	107.4	169.5	176.8	61.7	0	0	0	109.2	I173 L180 V182 I205 L207 L237 I250 S268 F269	I173-L248 HydrophobicContact CD1-CD2 3.88Å; I173-L248 HydrophobicContact CG2-CD2 3.78Å; L180-L248 HydrophobicContact CD1-CD2 3.94Å; V182-L248 HydrophobicContact CG2-CD2 3.75Å; I205-L248 HydrophobicContact CG2-CD1 3.64Å; L207-L248 HydrophobicContact CD2-CB 4.36Å; L207-L248 HydrophobicContact CD2-CD1 4.46Å; L237-L248 HydrophobicContact CD2-CD1 3.77Å; L248-I250 HydrophobicContact CD1-CD1 4.4Å; L248-I250 HydrophobicContact CG-CD1 4.17Å; L248-S268 CarbonylContact O-C 3.44Å; L248-S268 WeakPolarHBondContact O-CA 3.37Å; L248-S268 WeakPolarHBondContact O-CB 3.49Å; L248-F269 PolarHBondContact N-O 3.14Å; L248-F269 PolarHBondContact O-N 3.33Å
249	S	96.6	Very high	93	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	131.4	179.1	175.6	0	0	0	0	111.2	I205 K206 R247 E251	I205-S249 WeakPolarHBondContact CA-O 3.45Å; K206-S249 PolarHBondContact N-O 3.33Å; K206-S249 VanDerWaalsContact N-O 3.1Å; K206-S249 PolarHBondContact O-N 2.73Å; R247-S249 PolarHBondContact O-N 3.26Å; S249-E251 WeakPolarHBondContact OG-CG 3.45Å
250	I	97.9	Very high	93.1	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	115.1	173.6	-46.4	-64.1	0	0	0	107.9	M169 V182 I184 V203 I205 L248 S266 F267	M169-I250 HydrophobicContact CE-CB 4.29Å; M169-I250 HydrophobicContact CE-CG2 3.34Å; V182-I250 HydrophobicContact CG1-CD1 3.97Å; I184-I250 HydrophobicContact CD1-CG2 4.1Å; V203-I250 HydrophobicContact CG1-CG2 3.45Å; V203-I250 VanDerWaalsContact CG1-CG2 3.45Å; I205-I250 HydrophobicContact CB-CD1 4.28Å; I205-I250 HydrophobicContact CG1-CD1 3.89Å; I205-I250 HydrophobicContact CG2-CD1 3.84Å; L248-I250 HydrophobicContact CD1-CD1 4.4Å; L248-I250 HydrophobicContact CG-CD1 4.17Å; I250-S266 WeakPolarHBondContact O-CA 3.46Å; I250-S266 VanDerWaalsContact O-CB 3.22Å; I250-S266 WeakPolarHBondContact O-CB 3.4Å; I250-F267 HydrophobicContact CB-CD2 4.15Å; I250-F267 HydrophobicContact CB-CE2 3.79Å; I250-F267 HydrophobicContact CB-CZ 4.34Å; I250-F267 HydrophobicContact CG1-CD2 4.31Å; I250-F267 HydrophobicContact CG1-CE2 3.89Å; I250-F267 HydrophobicContact CG2-CE2 4.31Å; I250-F267 HydrophobicContact CG2-CZ 4.44Å; I250-F267 PolarHBondContact N-O 3.24Å; I250-F267 PolarHBondContact O-N 3.02Å; I250-F267 VanDerWaalsContact O-N 3.1Å
251	E	97.9	Very high	93.2	Very high	3 Å²	3	59 Å²	59	1%	0.014	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	128.1	-175.5	-53.2	179.4	155.3	0	0	110.7	V203 K204 K206 S249 W253 F263	V203-E251 CarbonylContact C-O 3.49Å; V203-E251 VanDerWaalsContact CA-O 3.28Å; V203-E251 WeakPolarHBondContact CA-O 3.36Å; K204-E251 HydrophobicContact CB-CB 4.44Å; K204-E251 PolarHBondContact N-O 3.24Å; K204-E251 PolarHBondContact O-N 3.42Å; K206-E251 WeakPolarHBondContact CE-OE1 3.17Å; K206-E251 WeakPolarHBondContact CE-OE2 3.39Å; K206-E251 IonicContact NZ-OE1 2.74Å; K206-E251 PolarHBondContact NZ-OE1 3.39Å; K206-E251 IonicContact NZ-OE2 3.01Å; K206-E251 PolarHBondContact NZ-OE2 3.4Å; K206-E251 VanDerWaalsContact NZ-OE2 3.07Å; S249-E251 WeakPolarHBondContact OG-CG 3.45Å; E251-W253 VanDerWaalsContact CB-NE1 3.26Å; E251-W253 PolarHBondContact OE2-NE1 3.44Å; E251-F263 HydrophobicContact CB-CE2 4.48Å
252	V	98.4	Very high	93.7	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	128.3	171.2	-171.3	0	0	0	0	108.4	M169 L190 P201 Y202 V203 W231 M264 G265 L285	M169-V252 HydrophobicContact CE-CG2 3.76Å; M169-V252 HydrophobicContact SD-CG2 3.69Å; L190-V252 HydrophobicContact CD1-CG1 4.16Å; L190-V252 HydrophobicContact CD2-CG1 4.43Å; P201-V252 HydrophobicContact CB-CG1 4.16Å; Y202-V252 WeakPolarHBondContact O-CA 3.41Å; V203-V252 HydrophobicContact CG2-CG2 4.34Å; W231-V252 HydrophobicContact CH2-CG1 4.46Å; V252-M264 HydrophobicContact CB-CB 4.26Å; V252-M264 HydrophobicContact CG1-CB 4.14Å; V252-M264 HydrophobicContact CG1-SD 3.84Å; V252-M264 WeakPolarHBondContact O-CB 3.33Å; V252-M264 PolarHBondContact O-N 3.4Å; V252-G265 PolarHBondContact N-O 2.8Å; V252-G265 PolarHBondContact O-N 2.76Å; V252-L285 HydrophobicContact CB-CD2 4.36Å; V252-L285 HydrophobicContact CG2-CD1 4.03Å; V252-L285 HydrophobicContact CG2-CD2 3.57Å; V252-L285 HydrophobicContact CG2-CG 4.48Å
253	W	98.1	Very high	94.2	Very high	43 Å²	43	51.4 Å²	51.4	16%	0.163	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	147.9	-178.7	-70.9	79.8	0	0	0	109.6	P201 Y202 K204 E251 N261 D262 F263	P201-W253 CarbonylContact C-O 3.4Å; P201-W253 VanDerWaalsContact CA-O 3.3Å; P201-W253 WeakPolarHBondContact CA-O 3.23Å; Y202-W253 HydrophobicContact CD1-CB 4.01Å; Y202-W253 VanDerWaalsContact CD1-O 3.28Å; Y202-W253 WeakPolarHBondContact CD1-O 3.27Å; Y202-W253 HydrophobicContact CE1-CB 3.33Å; Y202-W253 HydrophobicContact CE1-CG 4.43Å; Y202-W253 HydrophobicContact CE2-CB 4.1Å; Y202-W253 PolarHBondContact N-O 2.89Å; Y202-W253 PolarHBondContact O-N 2.75Å; Y202-W253 WeakPolarHBondContact OH-CB 3.49Å; K204-W253 HydrophobicContact CD-CG 4.36Å; K204-W253 VanDerWaalsContact NZ-CE2 3.35Å; E251-W253 VanDerWaalsContact CB-NE1 3.26Å; E251-W253 PolarHBondContact OE2-NE1 3.44Å; W253-N261 HydrophobicContact CE3-CB 4.18Å; W253-N261 VanDerWaalsContact CZ3-O 3.26Å; W253-N261 WeakPolarHBondContact CZ3-O 3.26Å; W253-D262 CarbonylContact C-O 3.48Å; W253-D262 VanDerWaalsContact CA-O 3.3Å; W253-D262 WeakPolarHBondContact CA-O 3.3Å; W253-F263 HydrophobicContact CE3-CB 4.29Å; W253-F263 HydrophobicContact CH2-CB 4.21Å; W253-F263 HydrophobicContact CZ2-CD2 4.12Å; W253-F263 HydrophobicContact CZ3-CB 4.08Å
254	D	97.8	Very high	94.5	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	131.8	168.3	-167.5	37.7	0	0	0	109.2	M193 A199 D200 N261 D262 M264	M193-D254 HydrophobicContact CB-CB 3.94Å; M193-D254 WeakPolarHBondContact CB-OD2 3.37Å; M193-D254 HydrophobicContact CG-CB 3.98Å; A199-D254 WeakPolarHBondContact CA-OD1 3.44Å; A199-D254 WeakPolarHBondContact CB-OD1 3.39Å; D200-D254 WeakPolarHBondContact CA-OD1 3.25Å; D200-D254 PolarHBondContact N-OD1 3.26Å; D254-N261 CarbonylContact O-C 3.59Å; D254-N261 WeakPolarHBondContact O-CA 3.28Å; D254-N261 WeakPolarHBondContact O-CB 3.38Å; D254-D262 HydrophobicContact CB-CB 4.2Å; D254-D262 PolarHBondContact N-O 3.15Å; D254-D262 PolarHBondContact O-N 2.91Å; D254-M264 HydrophobicContact CB-CG 3.98Å; D254-M264 HydrophobicContact CB-SD 3.97Å
255	W	97.3	Very high	94.9	Very high	71 Å²	71	48.5 Å²	48.5	27%	0.269	23%	0.227	S	C	.	.			trans	-90.5	128.2	177.9	-176.7	91.3	0	0	0	110	D200 Y202 V222 R257	D200-W255 HydrophobicContact CB-CB 4.21Å; D200-W255 WeakPolarHBondContact O-CB 3.39Å; D200-W255 PolarHBondContact O-N 3.34Å; Y202-W255 HydrophobicContact CD1-CB 3.86Å; Y202-W255 HydrophobicContact CE1-CB 3.95Å; V222-W255 HydrophobicContact CG1-CB 3.76Å; V222-W255 HydrophobicContact CG1-CG 4.23Å; V222-W255 HydrophobicContact CG2-CB 3.91Å; V222-W255 HydrophobicContact CG2-CG 3.9Å; W255-R257 HydrophobicContact CH2-CB 3.68Å; W255-R257 HydrophobicContact CH2-CG 4.11Å; W255-R257 HydrophobicContact CZ3-CB 3.71Å
256	D	94	Very high	95.3	Very high	26 Å²	26	46.7 Å²	46.7	14%	0.139	21%	0.214	C	C	.	.			trans	-117.9	143.1	175.6	-76.1	-80.4	0	0	0	111.5	S259 N261	D256-S259 VanDerWaalsContact CB-OG 3.26Å; D256-S259 WeakPolarHBondContact CB-OG 3.5Å; D256-S259 VanDerWaalsContact CG-OG 3.24Å; D256-S259 PolarHBondContact OD1-OG 3.16Å; D256-N261 PolarHBondContact N-OD1 3.46Å; D256-N261 PolarHBondContact O-OD1 3.39Å
257	R	88.9	Confident	95.6	Very high	211 Å²	211	45.7 Å²	45.7	80%	0.796	21%	0.21	S	C	*	.	S	Bend	trans	-80.3	-41.6	173.7	-174.1	177.9	169.9	80.6	2.6	112.2	W255	W255-R257 HydrophobicContact CH2-CB 3.68Å; W255-R257 HydrophobicContact CH2-CG 4.11Å; W255-R257 HydrophobicContact CZ3-CB 3.71Å
258	T	87.9	Confident	95.7	Very high	136 Å²	136	44.5 Å²	44.5	83%	0.834	21%	0.205	S	C	*	.	S	Bend	trans	-110.8	-9	-165.9	48	0	0	0	0	113.8
259	S	89.5	Confident	95.7	Very high	65 Å²	65	44.7 Å²	44.7	46%	0.455	21%	0.206	S	C	.	.	S	Bend	trans	-126.5	175	-179.2	28.8	0	0	0	0	110	D256	D256-S259 VanDerWaalsContact CB-OG 3.26Å; D256-S259 WeakPolarHBondContact CB-OG 3.5Å; D256-S259 VanDerWaalsContact CG-OG 3.24Å; D256-S259 PolarHBondContact OD1-OG 3.16Å
260	R	92.9	Very high	95.6	Very high	229 Å²	229	44.7 Å²	44.7	86%	0.864	21%	0.206	S	C	*	.	P	Polyproline II helix	trans	-72.5	136.5	168	-67.7	-178.3	178.3	-178.8	-0.2	108.2	D262	R260-D262 PolarHBondContact O-N 3.09Å
261	N	95	Very high	95.4	Very high	46 Å²	46	44.7 Å²	44.7	25%	0.246	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-52.5	130.1	173.9	-67.4	4.3	0	0	0	111.3	Y202 W253 D254 D256	Y202-N261 HydrophobicContact CE1-CB 4.47Å; Y202-N261 PolarHBondContact OH-ND2 3.04Å; W253-N261 HydrophobicContact CE3-CB 4.18Å; W253-N261 VanDerWaalsContact CZ3-O 3.26Å; W253-N261 WeakPolarHBondContact CZ3-O 3.26Å; D254-N261 CarbonylContact O-C 3.59Å; D254-N261 WeakPolarHBondContact O-CA 3.28Å; D254-N261 WeakPolarHBondContact O-CB 3.38Å; D256-N261 PolarHBondContact N-OD1 3.46Å; D256-N261 PolarHBondContact O-OD1 3.39Å
262	D	96.2	Very high	95.1	Very high	74 Å²	74	46.3 Å²	46.3	40%	0.396	22%	0.218	S	C	.	.	P	Polyproline II helix	trans	-87.4	146	-178.7	-75.9	-47.3	0	0	0	113.3	M193 W253 D254 R260	M193-D262 HydrophobicContact CE-CB 3.68Å; W253-D262 CarbonylContact C-O 3.48Å; W253-D262 VanDerWaalsContact CA-O 3.3Å; W253-D262 WeakPolarHBondContact CA-O 3.3Å; D254-D262 HydrophobicContact CB-CB 4.2Å; D254-D262 PolarHBondContact N-O 3.15Å; D254-D262 PolarHBondContact O-N 2.91Å; R260-D262 PolarHBondContact O-N 3.09Å
263	F	97.2	Very high	94.8	Very high	30 Å²	30	48.8 Å²	48.8	13%	0.132	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	122.8	176.4	173.6	-92.6	0	0	0	110.5	M193 E251 W253 G265 S266 Q288	M193-F263 VanDerWaalsContact CE-O 3.26Å; M193-F263 WeakPolarHBondContact CE-O 3.31Å; E251-F263 HydrophobicContact CB-CE2 4.48Å; W253-F263 HydrophobicContact CE3-CB 4.29Å; W253-F263 HydrophobicContact CH2-CB 4.21Å; W253-F263 HydrophobicContact CZ2-CD2 4.12Å; W253-F263 HydrophobicContact CZ3-CB 4.08Å; F263-G265 VanDerWaalsContact CE1-CA 3.46Å; F263-S266 WeakPolarHBondContact CZ-OG 3.44Å; F263-Q288 HydrophobicContact CD1-CB 4.28Å; F263-Q288 HydrophobicContact CE1-CB 3.86Å; F263-Q288 HydrophobicContact CE2-CB 4.34Å; F263-Q288 HydrophobicContact CE2-CG 4.43Å; F263-Q288 HydrophobicContact CZ-CB 3.87Å; F263-Q288 HydrophobicContact CZ-CG 4.42Å
264	M	97.5	Very high	94.6	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	-42.7	-179.6	-57.3	-178.6	84.2	0	0	111.8	R166 L190 V191 M193 A199 P201 V252 D254	R166-M264 VanDerWaalsContact CD-O 3.3Å; R166-M264 WeakPolarHBondContact CD-O 3.21Å; R166-M264 PolarHBondContact NH1-O 2.86Å; L190-M264 HydrophobicContact CB-CE 3.7Å; L190-M264 HydrophobicContact CD1-CE 3.95Å; L190-M264 HydrophobicContact CD1-SD 4.33Å; L190-M264 HydrophobicContact CG-CE 4.37Å; V191-M264 WeakPolarHBondContact O-CE 3.4Å; M193-M264 HydrophobicContact CE-CG 4.38Å; M193-M264 HydrophobicContact CG-CE 3.88Å; M193-M264 HydrophobicContact CG-CG 3.95Å; A199-M264 HydrophobicContact CB-CE 3.4Å; A199-M264 HydrophobicContact CB-SD 4.3Å; P201-M264 HydrophobicContact CB-SD 3.91Å; V252-M264 HydrophobicContact CB-CB 4.26Å; V252-M264 HydrophobicContact CG1-CB 4.14Å; V252-M264 HydrophobicContact CG1-SD 3.84Å; V252-M264 WeakPolarHBondContact O-CB 3.33Å; V252-M264 PolarHBondContact O-N 3.4Å; D254-M264 HydrophobicContact CB-CG 3.98Å; D254-M264 HydrophobicContact CB-SD 3.97Å
265	G	98.1	Very high	94.3	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.9	164.6	177.6	0	0	0	0	0	113.1	V252 F263 L286	V252-G265 PolarHBondContact N-O 2.8Å; V252-G265 PolarHBondContact O-N 2.76Å; F263-G265 VanDerWaalsContact CE1-CA 3.46Å; G265-L286 CarbonylContact C-O 3.58Å; G265-L286 WeakPolarHBondContact CA-O 3.28Å
266	S	98.2	Very high	94	Very high	1 Å²	1	54 Å²	54	1%	0.007	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	170.2	179.2	61.7	0	0	0	0	112.9	I250 F263 L286 G291	I250-S266 WeakPolarHBondContact O-CA 3.46Å; I250-S266 VanDerWaalsContact O-CB 3.22Å; I250-S266 WeakPolarHBondContact O-CB 3.4Å; F263-S266 WeakPolarHBondContact CZ-OG 3.44Å; S266-L286 PolarHBondContact N-O 3.26Å; S266-L286 WeakPolarHBondContact O-CA 3.22Å; S266-L286 VanDerWaalsContact O-CB 3.3Å; S266-L286 WeakPolarHBondContact O-CB 3.23Å; S266-L286 PolarHBondContact O-N 2.77Å; S266-G291 WeakPolarHBondContact OG-CA 3.42Å
267	F	98	Very high	93.9	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	166.4	162.6	47.2	-101.3	0	0	0	108.6	M169 V171 I250 F269 Y283 L285 G291 Y294	M169-F267 HydrophobicContact CB-CE1 4.09Å; M169-F267 HydrophobicContact CB-CZ 4.34Å; M169-F267 HydrophobicContact CE-CE1 3.54Å; M169-F267 HydrophobicContact CE-CE2 4.25Å; M169-F267 HydrophobicContact CE-CZ 3.31Å; V171-F267 HydrophobicContact CG1-CE2 4.35Å; V171-F267 HydrophobicContact CG1-CZ 3.99Å; V171-F267 HydrophobicContact CG2-CE2 3.96Å; V171-F267 HydrophobicContact CG2-CZ 4.09Å; I250-F267 HydrophobicContact CB-CD2 4.15Å; I250-F267 HydrophobicContact CB-CE2 3.79Å; I250-F267 HydrophobicContact CB-CZ 4.34Å; I250-F267 HydrophobicContact CG1-CD2 4.31Å; I250-F267 HydrophobicContact CG1-CE2 3.89Å; I250-F267 HydrophobicContact CG2-CE2 4.31Å; I250-F267 HydrophobicContact CG2-CZ 4.44Å; I250-F267 PolarHBondContact N-O 3.24Å; I250-F267 PolarHBondContact O-N 3.02Å; I250-F267 VanDerWaalsContact O-N 3.1Å; F267-F269 HydrophobicContact CD2-CD2 4.39Å; F267-F269 AromaticContact CD2-CE2 3.53Å; F267-F269 HydrophobicContact CD2-CE2 3.53Å; F267-F269 AromaticContact CD2-CZ 3.99Å; F267-F269 HydrophobicContact CD2-CZ 3.99Å; F267-F269 AromaticContact CE2-CE2 3.61Å; F267-F269 HydrophobicContact CE2-CE2 3.61Å; F267-F269 HydrophobicContact CE2-CZ 4.08Å; F267-Y283 HydrophobicContact CE2-CG 4.45Å; F267-Y283 HydrophobicContact CZ-CD2 4.5Å; F267-Y283 HydrophobicContact CZ-CG 4.39Å; F267-L285 HydrophobicContact CD1-CD2 4.03Å; F267-L285 HydrophobicContact CE1-CD2 3.88Å; F267-G291 CarbonylContact C-O 3.58Å; F267-G291 WeakPolarHBondContact CA-O 3.41Å; F267-Y294 WeakPolarHBondContact CA-O 3.43Å; F267-Y294 VanDerWaalsContact CB-O 3.26Å; F267-Y294 WeakPolarHBondContact CB-O 3.13Å
268	S	97.1	Very high	94.1	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	154.4	178.1	67.3	0	0	0	0	112.4	R247 L248 G291 E292 F293 Y294 S295	R247-S268 PolarHBondContact NE-OG 3.35Å; R247-S268 PolarHBondContact NH2-O 2.56Å; L248-S268 CarbonylContact O-C 3.44Å; L248-S268 WeakPolarHBondContact O-CA 3.37Å; L248-S268 WeakPolarHBondContact O-CB 3.49Å; S268-G291 WeakPolarHBondContact CB-O 3.4Å; S268-G291 PolarHBondContact N-O 3.37Å; S268-G291 VanDerWaalsContact N-O 3.14Å; S268-G291 PolarHBondContact OG-O 3.05Å; S268-E292 PolarHBondContact OG-O 3.31Å; S268-F293 PolarHBondContact OG-N 2.83Å; S268-Y294 PolarHBondContact N-O 3.28Å; S268-Y294 VanDerWaalsContact N-O 3.08Å; S268-Y294 CarbonylContact O-C 3.43Å; S268-S295 WeakPolarHBondContact O-CB 3.24Å; S268-S295 PolarHBondContact O-N 3.1Å
269	F	95.8	Very high	94.4	Very high	4 Å²	4	46.5 Å²	46.5	2%	0.018	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	141.7	178	-58.8	-90.1	0	0	0	110.4	V171 I173 R247 L248 F267 V271 I274 V279 Y283 S295	V171-F269 HydrophobicContact CG2-CE2 4.39Å; V171-F269 HydrophobicContact CG2-CZ 4.37Å; I173-F269 HydrophobicContact CD1-CD2 3.36Å; I173-F269 HydrophobicContact CD1-CE2 3.37Å; I173-F269 HydrophobicContact CD1-CG 4.14Å; I173-F269 HydrophobicContact CD1-CZ 4.15Å; R247-F269 CarbonylContact C-O 3.28Å; R247-F269 WeakPolarHBondContact CA-O 3.26Å; R247-F269 WeakPolarHBondContact CB-O 3.41Å; L248-F269 PolarHBondContact N-O 3.14Å; L248-F269 PolarHBondContact O-N 3.33Å; F267-F269 HydrophobicContact CD2-CD2 4.39Å; F267-F269 AromaticContact CD2-CE2 3.53Å; F267-F269 HydrophobicContact CD2-CE2 3.53Å; F267-F269 AromaticContact CD2-CZ 3.99Å; F267-F269 HydrophobicContact CD2-CZ 3.99Å; F267-F269 AromaticContact CE2-CE2 3.61Å; F267-F269 HydrophobicContact CE2-CE2 3.61Å; F267-F269 HydrophobicContact CE2-CZ 4.08Å; F269-V271 PolarHBondContact O-N 3.23Å; F269-I274 HydrophobicContact CB-CD1 3.73Å; F269-I274 HydrophobicContact CB-CG1 3.6Å; F269-I274 HydrophobicContact CD1-CD1 3.82Å; F269-I274 HydrophobicContact CG-CD1 3.84Å; F269-I274 HydrophobicContact CG-CG1 4.24Å; F269-V279 HydrophobicContact CD1-CG2 4.29Å; F269-V279 HydrophobicContact CE1-CG1 4.43Å; F269-V279 HydrophobicContact CE1-CG2 3.9Å; F269-V279 HydrophobicContact CZ-CG2 4.17Å; F269-Y283 HydrophobicContact CE1-CD1 4.25Å; F269-Y283 AromaticContact CE1-CE1 3.54Å; F269-Y283 HydrophobicContact CE1-CE1 3.54Å; F269-Y283 HydrophobicContact CE1-CE2 4.15Å; F269-Y283 AromaticContact CE1-CZ 3.49Å; F269-Y283 VanDerWaalsContact CE1-CZ 3.49Å; F269-Y283 AromaticContact CZ-CD1 3.98Å; F269-Y283 HydrophobicContact CZ-CD1 3.98Å; F269-Y283 HydrophobicContact CZ-CD2 4.01Å; F269-Y283 AromaticContact CZ-CE1 3.65Å; F269-Y283 HydrophobicContact CZ-CE1 3.65Å; F269-Y283 AromaticContact CZ-CE2 3.68Å; F269-Y283 HydrophobicContact CZ-CE2 3.68Å; F269-Y283 HydrophobicContact CZ-CG 4.15Å; F269-Y283 AromaticContact CZ-CZ 3.49Å; F269-Y283 VanDerWaalsContact CZ-CZ 3.49Å; F269-S295 WeakPolarHBondContact CD1-OG 3.24Å; F269-S295 WeakPolarHBondContact CE1-OG 3.49Å
270	G	94.3	Very high	94.7	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	132.9	168.2	0	0	0	0	0	110.2	S272 E273 I274 Q621	G270-S272 VanDerWaalsContact C-N 3.27Å; G270-S272 PolarHBondContact O-N 3.47Å; G270-E273 PolarHBondContact N-OE2 2.88Å; G270-E273 WeakPolarHBondContact O-CB 3.33Å; G270-E273 PolarHBondContact O-N 3.46Å; G270-E273 VanDerWaalsContact O-N 3.11Å; G270-I274 WeakPolarHBondContact O-CG1 3.41Å; G270-I274 PolarHBondContact O-N 2.66Å; G270-Q621 VanDerWaalsContact C-OE1 3.29Å
271	V	94	Very high	94.8	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-61.8	-42.6	178.1	171.1	0	0	0	0	109.8	L180 L207 I239 D243 K246 F269 E273 I274 I275	L180-V271 HydrophobicContact CD1-CG1 4.49Å; L180-V271 HydrophobicContact CD1-CG2 4.38Å; L207-V271 HydrophobicContact CD2-CG2 3.75Å; I239-V271 HydrophobicContact CD1-CG1 4.32Å; I239-V271 HydrophobicContact CG2-CG1 4.39Å; D243-V271 WeakPolarHBondContact O-CB 3.44Å; K246-V271 WeakPolarHBondContact O-CG2 3.44Å; K246-V271 PolarHBondContact O-N 3.14Å; F269-V271 PolarHBondContact O-N 3.23Å; V271-E273 VanDerWaalsContact C-N 3.28Å; V271-E273 PolarHBondContact O-N 3.35Å; V271-I274 PolarHBondContact O-N 2.85Å; V271-I275 HydrophobicContact CG1-CD1 3.91Å; V271-I275 VanDerWaalsContact O-CG1 3.29Å; V271-I275 WeakPolarHBondContact O-CG1 3.42Å; V271-I275 PolarHBondContact O-N 3.41Å
272	S	91.4	Very high	94.9	Very high	37 Å²	37	35.8 Å²	35.8	26%	0.259	19%	0.191	S	C	.	.	H	α-helix	trans	-61.3	-34.7	173.8	-68.3	0	0	0	0	113.2	H244 G270 K276	H244-S272 PolarHBondContact O-N 3.28Å; H244-S272 PolarHBondContact O-OG 2.86Å; G270-S272 VanDerWaalsContact C-N 3.27Å; G270-S272 PolarHBondContact O-N 3.47Å; S272-K276 WeakPolarHBondContact O-CG 3.32Å; S272-K276 PolarHBondContact O-N 3.34Å
273	E	91.7	Very high	94.9	Very high	52 Å²	52	33 Å²	33	24%	0.243	18%	0.175	C	C	.	.	H	α-helix	trans	-66	-45.8	177.2	-60.2	167	-149	0	0	110.6	R247 G270 V271 I275 K276 E277 Q621	R247-E273 IonicContact NH1-OE1 3.27Å; R247-E273 PolarHBondContact NH1-OE1 3.17Å; R247-E273 VanDerWaalsContact NH1-OE1 3.07Å; G270-E273 PolarHBondContact N-OE2 2.88Å; G270-E273 WeakPolarHBondContact O-CB 3.33Å; G270-E273 PolarHBondContact O-N 3.46Å; G270-E273 VanDerWaalsContact O-N 3.11Å; V271-E273 VanDerWaalsContact C-N 3.28Å; V271-E273 PolarHBondContact O-N 3.35Å; E273-I275 VanDerWaalsContact C-N 3.35Å; E273-I275 PolarHBondContact O-N 2.93Å; E273-K276 PolarHBondContact O-N 3.47Å; E273-E277 PolarHBondContact O-N 2.91Å; E273-Q621 HydrophobicContact CG-CB 4.43Å; E273-Q621 WeakPolarHBondContact OE1-CB 3.47Å; E273-Q621 PolarHBondContact OE1-N 2.93Å
274	I	93.6	Very high	94.9	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-65.8	-35.1	178.3	-65.8	-57.9	0	0	0	112.8	I173 A175 L180 F269 G270 V271 K276 E277 V279	I173-I274 HydrophobicContact CB-CD1 4.26Å; I173-I274 HydrophobicContact CB-CG2 4.46Å; I173-I274 HydrophobicContact CG2-CD1 4.31Å; I173-I274 HydrophobicContact CG2-CG1 4.32Å; I173-I274 HydrophobicContact CG2-CG2 3.69Å; A175-I274 HydrophobicContact CB-CG2 4.47Å; L180-I274 HydrophobicContact CD2-CG2 3.79Å; F269-I274 HydrophobicContact CB-CD1 3.73Å; F269-I274 HydrophobicContact CB-CG1 3.6Å; F269-I274 HydrophobicContact CD1-CD1 3.82Å; F269-I274 HydrophobicContact CG-CD1 3.84Å; F269-I274 HydrophobicContact CG-CG1 4.24Å; G270-I274 WeakPolarHBondContact O-CG1 3.41Å; G270-I274 PolarHBondContact O-N 2.66Å; V271-I274 PolarHBondContact O-N 2.85Å; I274-K276 VanDerWaalsContact C-N 3.32Å; I274-E277 WeakPolarHBondContact CA-O 3.39Å; I274-E277 CarbonylContact O-C 3.51Å; I274-V279 HydrophobicContact CD1-CB 4.36Å; I274-V279 HydrophobicContact CD1-CG1 3.87Å; I274-V279 HydrophobicContact CD1-CG2 3.6Å
275	I	92.5	Very high	94.9	Very high	71 Å²	71	32.4 Å²	32.4	36%	0.364	17%	0.173	S	C	.	.	H	α-helix	trans	-64.3	-40.2	176.2	-69.7	166.4	0	0	0	110.6	A175 I239 V271 E273	A175-I275 HydrophobicContact CB-CB 4.47Å; A175-I275 HydrophobicContact CB-CG1 4.17Å; I239-I275 HydrophobicContact CD1-CD1 4.01Å; I239-I275 HydrophobicContact CD1-CG1 4.32Å; V271-I275 HydrophobicContact CG1-CD1 3.91Å; V271-I275 VanDerWaalsContact O-CG1 3.29Å; V271-I275 WeakPolarHBondContact O-CG1 3.42Å; V271-I275 PolarHBondContact O-N 3.41Å; E273-I275 VanDerWaalsContact C-N 3.35Å; E273-I275 PolarHBondContact O-N 2.93Å
276	K	91	Very high	94.9	Very high	150 Å²	150	32.9 Å²	32.9	65%	0.652	18%	0.175	S	C	*	.	H	α-helix	trans	-70.8	-44.4	176.7	-69.5	174	-177.1	179.4	0	111.7	S272 E273 I274	S272-K276 WeakPolarHBondContact O-CG 3.32Å; S272-K276 PolarHBondContact O-N 3.34Å; E273-K276 PolarHBondContact O-N 3.47Å; I274-K276 VanDerWaalsContact C-N 3.32Å
277	E	90.4	Very high	94.8	Very high	128 Å²	128	35.5 Å²	35.5	60%	0.598	19%	0.189	S	C	*	.	S	Bend	trans	-141.2	115.1	-174.6	-170.9	176.2	-169.4	0	0	111	E273 I274	E273-E277 PolarHBondContact O-N 2.91Å; I274-E277 WeakPolarHBondContact CA-O 3.39Å; I274-E277 CarbonylContact O-C 3.51Å
278	S	93.8	Very high	94.6	Very high	62 Å²	62	40.1 Å²	40.1	43%	0.434	21%	0.211	S	C	.	.			trans	-68.9	145.9	173.3	-63.8	0	0	0	0	110.9	I173	I173-S278 WeakPolarHBondContact O-CA 3.4Å; I173-S278 WeakPolarHBondContact O-CB 3.05Å
279	V	94.4	Very high	94.5	Very high	26 Å²	26	43.8 Å²	43.8	16%	0.158	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	143.8	-176.1	-59.5	0	0	0	0	111.5	S172 I173 F269 I274 Y283	S172-V279 CarbonylContact C-O 3.11Å; S172-V279 VanDerWaalsContact CA-O 3.27Å; S172-V279 WeakPolarHBondContact CA-O 3.33Å; I173-V279 HydrophobicContact CB-CG2 3.8Å; I173-V279 HydrophobicContact CD1-CG2 4.17Å; I173-V279 HydrophobicContact CG1-CG2 4.02Å; I173-V279 PolarHBondContact N-O 2.99Å; I173-V279 PolarHBondContact O-N 3.2Å; F269-V279 HydrophobicContact CD1-CG2 4.29Å; F269-V279 HydrophobicContact CE1-CG1 4.43Å; F269-V279 HydrophobicContact CE1-CG2 3.9Å; F269-V279 HydrophobicContact CZ-CG2 4.17Å; I274-V279 HydrophobicContact CD1-CB 4.36Å; I274-V279 HydrophobicContact CD1-CG1 3.87Å; I274-V279 HydrophobicContact CD1-CG2 3.6Å; V279-Y283 WeakPolarHBondContact CB-OH 3.47Å
280	S	95.5	Very high	94.5	Very high	78 Å²	78	45.5 Å²	45.5	55%	0.545	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	94.9	172.1	167.8	0	0	0	0	109.7	V171	V171-S280 WeakPolarHBondContact O-CA 3.44Å
281	S	95.6	Very high	94.6	Very high	17 Å²	17	45.5 Å²	45.5	12%	0.119	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	177.6	-174.7	-163.1	0	0	0	0	112.5	K170 V171 Y283 E301	K170-S281 WeakPolarHBondContact CA-O 3.48Å; V171-S281 PolarHBondContact N-O 3.08Å; V171-S281 VanDerWaalsContact N-O 3.13Å; V171-S281 PolarHBondContact O-N 2.77Å; V171-S281 VanDerWaalsContact O-N 3.11Å; S281-Y283 WeakPolarHBondContact O-CD2 3.44Å; S281-E301 WeakPolarHBondContact OG-CB 3.39Å; S281-E301 WeakPolarHBondContact OG-CG 3.28Å; S281-E301 PolarHBondContact OG-OE2 2.94Å
282	W	96.8	Very high	94.7	Very high	21 Å²	21	47.5 Å²	47.5	8%	0.08	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	130.6	166.1	-73	92.9	0	0	0	110.6	R168 M169 K170 E186 K188 P297 C298 E301	R168-W282 HydrophobicContact CB-CE3 4.02Å; R168-W282 HydrophobicContact CG-CE3 3.58Å; R168-W282 HydrophobicContact CG-CZ3 3.81Å; M169-W282 VanDerWaalsContact C-CE3 3.48Å; M169-W282 WeakPolarHBondContact O-CA 3.29Å; K170-W282 HydrophobicContact CB-CD2 3.7Å; K170-W282 HydrophobicContact CB-CE3 3.84Å; K170-W282 HydrophobicContact CB-CG 4.28Å; K170-W282 HydrophobicContact CB-CH2 4.03Å; K170-W282 HydrophobicContact CB-CZ2 3.9Å; K170-W282 HydrophobicContact CB-CZ3 4.01Å; K170-W282 HydrophobicContact CD-CZ2 4.18Å; K170-W282 HydrophobicContact CG-CD2 4.26Å; K170-W282 HydrophobicContact CG-CG 4.42Å; E186-W282 HydrophobicContact CG-CH2 3.6Å; E186-W282 HydrophobicContact CG-CZ2 3.99Å; E186-W282 VanDerWaalsContact OE1-CZ2 3.3Å; E186-W282 WeakPolarHBondContact OE1-CZ2 3.37Å; K188-W282 HydrophobicContact CB-CH2 4.38Å; K188-W282 HydrophobicContact CB-CZ3 4.27Å; K188-W282 HydrophobicContact CD-CH2 3.59Å; K188-W282 HydrophobicContact CD-CZ2 4.12Å; K188-W282 HydrophobicContact CD-CZ3 4.25Å; K188-W282 HydrophobicContact CG-CH2 3.76Å; K188-W282 HydrophobicContact CG-CZ3 4.12Å; W282-P297 CarbonylContact O-C 3.6Å; W282-P297 WeakPolarHBondContact O-CA 3.5Å; W282-C298 HydrophobicContact CB-CB 4.14Å; W282-C298 PolarHBondContact O-N 3.3Å; W282-E301 HydrophobicContact CB-CG 3.98Å
283	Y	97	Very high	94.9	Very high	14 Å²	14	47.5 Å²	47.5	6%	0.055	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	143.3	177	-67.9	-90	0	0	0	110.8	R168 M169 V171 F267 F269 V279 S281 L296 P297	R168-Y283 CarbonylContact C-O 3.27Å; R168-Y283 WeakPolarHBondContact CA-O 3.24Å; R168-Y283 WeakPolarHBondContact CB-O 3.48Å; M169-Y283 PolarHBondContact N-O 3.47Å; M169-Y283 PolarHBondContact O-N 2.8Å; V171-Y283 HydrophobicContact CG2-CD2 3.77Å; V171-Y283 HydrophobicContact CG2-CE2 3.93Å; F267-Y283 HydrophobicContact CE2-CG 4.45Å; F267-Y283 HydrophobicContact CZ-CD2 4.5Å; F267-Y283 HydrophobicContact CZ-CG 4.39Å; F269-Y283 HydrophobicContact CE1-CD1 4.25Å; F269-Y283 AromaticContact CE1-CE1 3.54Å; F269-Y283 HydrophobicContact CE1-CE1 3.54Å; F269-Y283 HydrophobicContact CE1-CE2 4.15Å; F269-Y283 AromaticContact CE1-CZ 3.49Å; F269-Y283 VanDerWaalsContact CE1-CZ 3.49Å; F269-Y283 AromaticContact CZ-CD1 3.98Å; F269-Y283 HydrophobicContact CZ-CD1 3.98Å; F269-Y283 HydrophobicContact CZ-CD2 4.01Å; F269-Y283 AromaticContact CZ-CE1 3.65Å; F269-Y283 HydrophobicContact CZ-CE1 3.65Å; F269-Y283 AromaticContact CZ-CE2 3.68Å; F269-Y283 HydrophobicContact CZ-CE2 3.68Å; F269-Y283 HydrophobicContact CZ-CG 4.15Å; F269-Y283 AromaticContact CZ-CZ 3.49Å; F269-Y283 VanDerWaalsContact CZ-CZ 3.49Å; V279-Y283 WeakPolarHBondContact CB-OH 3.47Å; S281-Y283 WeakPolarHBondContact O-CD2 3.44Å; Y283-L296 WeakPolarHBondContact CA-O 3.49Å; Y283-P297 HydrophobicContact CD1-CG 4.36Å; Y283-P297 HydrophobicContact CE1-CG 3.87Å
284	K	96.2	Very high	95	Very high	13 Å²	13	46.6 Å²	46.6	6%	0.057	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	132.4	172.1	-61.4	176	61.4	173.3	0	108.9	D161 T163 E164 L286 L296	D161-K284 PolarHBondContact O-NZ 3.06Å; D161-K284 IonicContact OD1-NZ 2.71Å; D161-K284 IonicContact OD2-NZ 2.62Å; D161-K284 PolarHBondContact OD2-NZ 3.13Å; T163-K284 WeakPolarHBondContact O-CE 3.39Å; T163-K284 PolarHBondContact O-NZ 3.03Å; E164-K284 HydrophobicContact CG-CG 4.45Å; K284-L286 HydrophobicContact CB-CD2 4.14Å; K284-L286 PolarHBondContact O-N 3.17Å; K284-L296 HydrophobicContact CB-CB 4.43Å; K284-L296 HydrophobicContact CD-CB 4.29Å; K284-L296 PolarHBondContact N-O 3.26Å
285	L	98.1	Very high	95.1	Very high	6 Å²	6	47.9 Å²	47.9	3%	0.031	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-76	125.3	169.6	-72.1	168	0	0	0	108.9	R166 G167 M169 L190 V252 F267	R166-L285 HydrophobicContact CB-CB 3.88Å; R166-L285 WeakPolarHBondContact CB-O 3.41Å; R166-L285 WeakPolarHBondContact O-CD1 3.42Å; G167-L285 PolarHBondContact O-N 3.38Å; M169-L285 HydrophobicContact CB-CD2 4.38Å; M169-L285 HydrophobicContact CB-CG 4.47Å; M169-L285 HydrophobicContact CE-CD2 4.2Å; L190-L285 HydrophobicContact CD2-CD1 3.23Å; V252-L285 HydrophobicContact CB-CD2 4.36Å; V252-L285 HydrophobicContact CG2-CD1 4.03Å; V252-L285 HydrophobicContact CG2-CD2 3.57Å; V252-L285 HydrophobicContact CG2-CG 4.48Å; F267-L285 HydrophobicContact CD1-CD2 4.03Å; F267-L285 HydrophobicContact CE1-CD2 3.88Å
286	L	97	Very high	95.1	Very high	10 Å²	10	45.8 Å²	45.8	5%	0.052	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-103.1	170.1	-176.5	-49.6	178.5	0	0	0	110.7	R166 G265 S266 K284 E290 L296	R166-L286 WeakPolarHBondContact CD-O 3.33Å; G265-L286 CarbonylContact C-O 3.58Å; G265-L286 WeakPolarHBondContact CA-O 3.28Å; S266-L286 PolarHBondContact N-O 3.26Å; S266-L286 WeakPolarHBondContact O-CA 3.22Å; S266-L286 VanDerWaalsContact O-CB 3.3Å; S266-L286 WeakPolarHBondContact O-CB 3.23Å; S266-L286 PolarHBondContact O-N 2.77Å; K284-L286 HydrophobicContact CB-CD2 4.14Å; K284-L286 PolarHBondContact O-N 3.17Å; L286-E290 HydrophobicContact CB-CB 3.89Å; L286-E290 HydrophobicContact CD1-CB 4.11Å; L286-L296 HydrophobicContact CD1-CD1 4.21Å; L286-L296 HydrophobicContact CD1-CG 4.1Å; L286-L296 HydrophobicContact CD2-CD1 3.82Å; L286-L296 HydrophobicContact CD2-CG 4.32Å
287	N	95.8	Very high	95.2	Very high	56 Å²	56	41.4 Å²	41.4	30%	0.299	22%	0.22	S	C	.	.	P	Polyproline II helix	trans	-66.6	168.2	168.3	78.2	62.7	0	0	0	110.4	E289 E290 G291	N287-E289 PolarHBondContact O-N 2.64Å; N287-E289 PolarHBondContact OD1-N 2.84Å; N287-E290 WeakPolarHBondContact ND2-CG 3.49Å; N287-E290 PolarHBondContact ND2-OE2 2.74Å; N287-E290 PolarHBondContact O-N 2.85Å; N287-E290 PolarHBondContact OD1-N 2.97Å; N287-G291 WeakPolarHBondContact O-CA 3.47Å; N287-G291 PolarHBondContact O-N 2.83Å
288	Q	94.8	Very high	95.2	Very high	97 Å²	97	35.3 Å²	35.3	45%	0.453	19%	0.192	S	C	.	.	H	α-helix	trans	-59.2	-45.6	-173.4	-172.3	174	5.5	0	0	112.9	F263 E292	F263-Q288 HydrophobicContact CD1-CB 4.28Å; F263-Q288 HydrophobicContact CE1-CB 3.86Å; F263-Q288 HydrophobicContact CE2-CB 4.34Å; F263-Q288 HydrophobicContact CE2-CG 4.43Å; F263-Q288 HydrophobicContact CZ-CB 3.87Å; F263-Q288 HydrophobicContact CZ-CG 4.42Å; Q288-E292 WeakPolarHBondContact O-CG 3.42Å; Q288-E292 PolarHBondContact O-N 3.29Å
289	E	94.5	Very high	94.6	Very high	76 Å²	76	33.3 Å²	33.3	36%	0.355	18%	0.176	S	C	.	.	H	α-helix	trans	-65.9	-52.8	179.6	-176.2	175	133.6	0	0	111.1	N287 G291 E292 F293 K446 E447 P448	N287-E289 PolarHBondContact O-N 2.64Å; N287-E289 PolarHBondContact OD1-N 2.84Å; E289-G291 VanDerWaalsContact C-N 3.28Å; E289-G291 PolarHBondContact O-N 2.56Å; E289-E292 WeakPolarHBondContact O-CB 3.38Å; E289-E292 PolarHBondContact O-N 2.92Å; E289-F293 VanDerWaalsContact O-CD2 3.27Å; E289-F293 WeakPolarHBondContact O-CD2 3.09Å; E289-K446 HydrophobicContact CG-CB 4.38Å; E289-K446 HydrophobicContact CG-CD 4.27Å; E289-E447 PolarHBondContact OE1-N 3.41Å; E289-E447 VanDerWaalsContact OE1-N 3.15Å; E289-P448 HydrophobicContact CG-CG 4.36Å; E289-P448 VanDerWaalsContact OE1-CD 3.31Å; E289-P448 WeakPolarHBondContact OE1-CD 3.17Å
290	E	95.4	Very high	93.9	Very high	40 Å²	40	34 Å²	34	19%	0.187	18%	0.179	C	C	.	.	H	α-helix	trans	-60.9	-38.6	178.8	-75.8	-179.4	142.5	0	0	112	L286 N287 E292 F293 Y294 R608 H609	L286-E290 HydrophobicContact CB-CB 3.89Å; L286-E290 HydrophobicContact CD1-CB 4.11Å; N287-E290 WeakPolarHBondContact ND2-CG 3.49Å; N287-E290 PolarHBondContact ND2-OE2 2.74Å; N287-E290 PolarHBondContact O-N 2.85Å; N287-E290 PolarHBondContact OD1-N 2.97Å; E290-E292 PolarHBondContact O-N 2.8Å; E290-F293 PolarHBondContact O-N 2.74Å; E290-F293 VanDerWaalsContact O-N 3.11Å; E290-Y294 HydrophobicContact CB-CD2 4.06Å; E290-Y294 HydrophobicContact CG-CD2 4.31Å; E290-Y294 HydrophobicContact CG-CE2 4.44Å; E290-Y294 WeakPolarHBondContact O-CB 3.12Å; E290-Y294 WeakPolarHBondContact O-CD2 3.26Å; E290-Y294 PolarHBondContact O-N 3.27Å; E290-R608 IonicContact OE1-NH2 2.74Å; E290-R608 PolarHBondContact OE1-NH2 3.02Å; E290-H609 IonicContact OE1-NE2 2.74Å
291	G	97	Very high	92.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-72.1	-12.9	-178.4	0	0	0	0	0	114.4	S266 F267 S268 N287 E289 F293	S266-G291 WeakPolarHBondContact OG-CA 3.42Å; F267-G291 CarbonylContact C-O 3.58Å; F267-G291 WeakPolarHBondContact CA-O 3.41Å; S268-G291 WeakPolarHBondContact CB-O 3.4Å; S268-G291 PolarHBondContact N-O 3.37Å; S268-G291 VanDerWaalsContact N-O 3.14Å; S268-G291 PolarHBondContact OG-O 3.05Å; N287-G291 WeakPolarHBondContact O-CA 3.47Å; N287-G291 PolarHBondContact O-N 2.83Å; E289-G291 VanDerWaalsContact C-N 3.28Å; E289-G291 PolarHBondContact O-N 2.56Å; G291-F293 VanDerWaalsContact C-N 3.31Å
292	E	95.7	Very high	91.4	Very high	42 Å²	42	34.5 Å²	34.5	20%	0.196	18%	0.178	C	C	.	.	H	α-helix	trans	-74.8	-20.6	169.2	-75.1	174.6	-176.7	0	0	112.7	L208 R247 S268 Q288 E289 E290 K446	L208-E292 HydrophobicContact CD1-CB 4.23Å; L208-E292 HydrophobicContact CD1-CG 3.89Å; R247-E292 WeakPolarHBondContact CD-O 3.42Å; S268-E292 PolarHBondContact OG-O 3.31Å; Q288-E292 WeakPolarHBondContact O-CG 3.42Å; Q288-E292 PolarHBondContact O-N 3.29Å; E289-E292 WeakPolarHBondContact O-CB 3.38Å; E289-E292 PolarHBondContact O-N 2.92Å; E290-E292 PolarHBondContact O-N 2.8Å; E292-K446 IonicContact OE1-NZ 3.61Å; E292-K446 IonicContact OE2-NZ 2.9Å; E292-K446 PolarHBondContact OE2-NZ 2.8Å
293	F	95.5	Very high	90.1	Very high	38 Å²	38	37.4 Å²	37.4	17%	0.167	20%	0.195	C	C	.	.	H	α-helix	trans	-121.5	-26.6	-172.7	-62.4	-88	0	0	0	114	R247 S268 E289 E290 G291 K446 P448 V449 P623	R247-F293 VanDerWaalsContact CZ-O 3.24Å; R247-F293 PolarHBondContact NE-O 3Å; R247-F293 PolarHBondContact NH2-O 3.13Å; S268-F293 PolarHBondContact OG-N 2.83Å; E289-F293 VanDerWaalsContact O-CD2 3.27Å; E289-F293 WeakPolarHBondContact O-CD2 3.09Å; E290-F293 PolarHBondContact O-N 2.74Å; E290-F293 VanDerWaalsContact O-N 3.11Å; G291-F293 VanDerWaalsContact C-N 3.31Å; F293-K446 HydrophobicContact CE2-CD 3.93Å; F293-K446 HydrophobicContact CZ-CD 4.13Å; F293-P448 HydrophobicContact CB-CB 3.69Å; F293-P448 HydrophobicContact CB-CG 4.29Å; F293-P448 HydrophobicContact CD1-CB 4.11Å; F293-P448 HydrophobicContact CD2-CB 3.55Å; F293-P448 HydrophobicContact CD2-CG 3.68Å; F293-P448 HydrophobicContact CE2-CB 4.21Å; F293-P448 HydrophobicContact CE2-CG 4.29Å; F293-P448 HydrophobicContact CG-CB 3.5Å; F293-P448 VanDerWaalsContact CG-CB 3.5Å; F293-P448 HydrophobicContact CG-CG 4.11Å; F293-V449 HydrophobicContact CE1-CG2 3.66Å; F293-V449 HydrophobicContact CZ-CG2 3.69Å; F293-P623 HydrophobicContact CD1-CB 4.16Å; F293-P623 HydrophobicContact CE1-CB 3.79Å
294	Y	95.6	Very high	88.9	Confident	33 Å²	33	40 Å²	40	13%	0.129	21%	0.212	C	C	.	.			trans	-119.2	147.7	-170.1	-54.6	-53	0	0	0	113.2	F267 S268 E290 P448 H609	F267-Y294 WeakPolarHBondContact CA-O 3.43Å; F267-Y294 VanDerWaalsContact CB-O 3.26Å; F267-Y294 WeakPolarHBondContact CB-O 3.13Å; S268-Y294 PolarHBondContact N-O 3.28Å; S268-Y294 VanDerWaalsContact N-O 3.08Å; S268-Y294 CarbonylContact O-C 3.43Å; E290-Y294 HydrophobicContact CB-CD2 4.06Å; E290-Y294 HydrophobicContact CG-CD2 4.31Å; E290-Y294 HydrophobicContact CG-CE2 4.44Å; E290-Y294 WeakPolarHBondContact O-CB 3.12Å; E290-Y294 WeakPolarHBondContact O-CD2 3.26Å; E290-Y294 PolarHBondContact O-N 3.27Å; Y294-P448 HydrophobicContact CE2-CB 3.84Å; Y294-P448 HydrophobicContact CE2-CG 3.76Å; Y294-P448 VanDerWaalsContact OH-CA 3.31Å; Y294-P448 WeakPolarHBondContact OH-CA 3.36Å; Y294-P448 WeakPolarHBondContact OH-CB 3.38Å; Y294-H609 HydrophobicContact CD1-CB 4.38Å; Y294-H609 HydrophobicContact CE1-CB 4.2Å
295	S	94.7	Very high	87.5	Confident	27 Å²	27	42 Å²	42	19%	0.189	23%	0.231	C	C	.	.			trans	-126.1	103.4	163.6	56	0	0	0	0	108.5	S268 F269 P297	S268-S295 WeakPolarHBondContact O-CB 3.24Å; S268-S295 PolarHBondContact O-N 3.1Å; F269-S295 WeakPolarHBondContact CD1-OG 3.24Å; F269-S295 WeakPolarHBondContact CE1-OG 3.49Å; S295-P297 WeakPolarHBondContact O-CD 3.34Å
296	L	92.9	Very high	86.2	Confident	27 Å²	27	45.6 Å²	45.6	14%	0.141	25%	0.253	C	S	.	.			trans	-102	110.8	-176.1	-56.9	-176.9	0	0	0	110.3	Y283 K284 L286 H609	Y283-L296 WeakPolarHBondContact CA-O 3.49Å; K284-L296 HydrophobicContact CB-CB 4.43Å; K284-L296 HydrophobicContact CD-CB 4.29Å; K284-L296 PolarHBondContact N-O 3.26Å; L286-L296 HydrophobicContact CD1-CD1 4.21Å; L286-L296 HydrophobicContact CD1-CG 4.1Å; L286-L296 HydrophobicContact CD2-CD1 3.82Å; L286-L296 HydrophobicContact CD2-CG 4.32Å; L296-H609 WeakPolarHBondContact CD1-CE1 3.35Å; L296-H609 WeakPolarHBondContact CD1-ND1 3.41Å; L296-H609 HydrophobicContact CD2-CB 4.33Å
297	P	92.3	Very high	85	Confident	58 Å²	58	49.5 Å²	49.5	38%	0.377	27%	0.273	S	S	.	.	B	Isolated β-bridge	trans	-58.6	147.9	172.1	-22.3	33.2	0	0	0	111.4	W282 Y283 S295	W282-P297 CarbonylContact O-C 3.6Å; W282-P297 WeakPolarHBondContact O-CA 3.5Å; Y283-P297 HydrophobicContact CD1-CG 4.36Å; Y283-P297 HydrophobicContact CE1-CG 3.87Å; S295-P297 WeakPolarHBondContact O-CD 3.34Å
298	C	90.7	Very high	84	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	29%	0.285	C	S	.	.			trans	-65.7	148.3	171.9	-69.9	0	0	0	0	111	R168 W282 D300 E301 A302	R168-C298 VanDerWaalsContact CZ-CB 3.41Å; R168-C298 PolarHBondContact NE-SG 2.93Å; R168-C298 VanDerWaalsContact NE-SG 3.35Å; W282-C298 HydrophobicContact CB-CB 4.14Å; W282-C298 PolarHBondContact O-N 3.3Å; C298-D300 VanDerWaalsContact C-N 3.31Å; C298-D300 WeakPolarHBondContact CB-OD1 3.48Å; C298-D300 PolarHBondContact O-N 3.41Å; C298-E301 HydrophobicContact CB-CG 4.49Å; C298-E301 WeakPolarHBondContact O-CB 3.44Å; C298-E301 PolarHBondContact O-N 3.4Å; C298-E301 VanDerWaalsContact O-N 3.1Å; C298-A302 PolarHBondContact O-N 3.27Å
299	I	80.8	Confident	83	Confident	21 Å²	21	52.6 Å²	52.6	11%	0.108	29%	0.289	C	S	.	.	H	α-helix	trans	-61.3	-37	-172.4	-69	-166.6	0	0	0	113	T91 H162 E301 A302 N303	T91-I299 HydrophobicContact CG2-CB 4.35Å; H162-I299 HydrophobicContact CB-CD1 3.64Å; I299-E301 VanDerWaalsContact C-N 3.29Å; I299-E301 PolarHBondContact O-N 2.87Å; I299-A302 PolarHBondContact O-N 3.26Å; I299-N303 WeakPolarHBondContact CG2-ND2 3.49Å; I299-N303 VanDerWaalsContact O-CB 3.32Å; I299-N303 WeakPolarHBondContact O-CB 3.38Å; I299-N303 PolarHBondContact O-N 2.97Å; I299-N303 PolarHBondContact O-ND2 2.88Å
300	D	79.6	Confident	81.9	Confident	41 Å²	41	55.9 Å²	55.9	22%	0.219	30%	0.298	C	S	.	.	H	α-helix	trans	-60.9	-38.8	176.8	48.2	-3.4	0	0	0	112.3	T91 R168 C298 T304	T91-D300 HydrophobicContact CG2-CB 4.11Å; R168-D300 IonicContact CZ-OD1 3.07Å; R168-D300 IonicContact CZ-OD2 2.8Å; R168-D300 IonicContact NH1-OD1 3.42Å; R168-D300 PolarHBondContact NH1-OD1 2.85Å; R168-D300 IonicContact NH1-OD2 3.41Å; R168-D300 PolarHBondContact NH1-OD2 2.89Å; R168-D300 IonicContact NH2-OD1 3.5Å; R168-D300 PolarHBondContact NH2-OD1 2.92Å; R168-D300 IonicContact NH2-OD2 3.55Å; R168-D300 PolarHBondContact NH2-OD2 3.35Å; R168-D300 VanDerWaalsContact NH2-OD2 3.15Å; C298-D300 VanDerWaalsContact C-N 3.31Å; C298-D300 WeakPolarHBondContact CB-OD1 3.48Å; C298-D300 PolarHBondContact O-N 3.41Å; D300-T304 WeakPolarHBondContact O-CB 3.29Å; D300-T304 PolarHBondContact O-N 2.94Å; D300-T304 VanDerWaalsContact O-N 3.13Å; D300-T304 PolarHBondContact O-OG1 2.88Å
301	E	72.4	Confident	81	Confident	65 Å²	65	58.8 Å²	58.8	30%	0.304	31%	0.31	S	S	.	.	H	α-helix	trans	-69.9	-46.3	173.3	-60.8	-66.5	146.1	0	0	111.5	S281 W282 C298 I299 N303 T304 A305	S281-E301 WeakPolarHBondContact OG-CB 3.39Å; S281-E301 WeakPolarHBondContact OG-CG 3.28Å; S281-E301 PolarHBondContact OG-OE2 2.94Å; W282-E301 HydrophobicContact CB-CG 3.98Å; C298-E301 HydrophobicContact CB-CG 4.49Å; C298-E301 WeakPolarHBondContact O-CB 3.44Å; C298-E301 PolarHBondContact O-N 3.4Å; C298-E301 VanDerWaalsContact O-N 3.1Å; I299-E301 VanDerWaalsContact C-N 3.29Å; I299-E301 PolarHBondContact O-N 2.87Å; E301-N303 VanDerWaalsContact C-N 3.33Å; E301-N303 PolarHBondContact O-N 3.06Å; E301-T304 PolarHBondContact O-N 3.44Å; E301-T304 VanDerWaalsContact O-N 3.14Å; E301-A305 WeakPolarHBondContact O-CB 3.32Å; E301-A305 PolarHBondContact O-N 3.18Å
302	A	66.5	Low	79.9	Confident	40 Å²	40	66.4 Å²	66.4	33%	0.331	34%	0.339	S	S	.	.	H	α-helix	trans	-59.5	-43.4	178.5	0	0	0	0	0	111.9	C298 I299 T304 A305 V306	C298-A302 PolarHBondContact O-N 3.27Å; I299-A302 PolarHBondContact O-N 3.26Å; A302-T304 VanDerWaalsContact C-N 3.35Å; A302-A305 PolarHBondContact O-N 3.05Å; A302-V306 VanDerWaalsContact O-CG2 3.26Å; A302-V306 WeakPolarHBondContact O-CG2 3.37Å; A302-V306 PolarHBondContact O-N 3.3Å
303	N	70.5	Confident	78.9	Confident	82 Å²	82	69.7 Å²	69.7	44%	0.439	36%	0.355	S	S	.	.	H	α-helix	trans	-65.8	-37.8	176.5	-71.6	-17.9	0	0	0	112.1	I299 E301 V306 L307	I299-N303 WeakPolarHBondContact CG2-ND2 3.49Å; I299-N303 VanDerWaalsContact O-CB 3.32Å; I299-N303 WeakPolarHBondContact O-CB 3.38Å; I299-N303 PolarHBondContact O-N 2.97Å; I299-N303 PolarHBondContact O-ND2 2.88Å; E301-N303 VanDerWaalsContact C-N 3.33Å; E301-N303 PolarHBondContact O-N 3.06Å; N303-V306 PolarHBondContact O-N 2.8Å; N303-L307 WeakPolarHBondContact O-CB 3.32Å; N303-L307 PolarHBondContact O-N 2.97Å
304	T	71.3	Confident	77.9	Confident	69 Å²	69	73.6 Å²	73.6	42%	0.423	37%	0.374	S	S	.	.	H	α-helix	trans	-65.7	-46	176.7	-57.3	0	0	0	0	110.6	D300 E301 A302 V306 L307 E308	D300-T304 WeakPolarHBondContact O-CB 3.29Å; D300-T304 PolarHBondContact O-N 2.94Å; D300-T304 VanDerWaalsContact O-N 3.13Å; D300-T304 PolarHBondContact O-OG1 2.88Å; E301-T304 PolarHBondContact O-N 3.44Å; E301-T304 VanDerWaalsContact O-N 3.14Å; A302-T304 VanDerWaalsContact C-N 3.35Å; T304-V306 PolarHBondContact O-N 2.96Å; T304-L307 WeakPolarHBondContact O-CB 3.41Å; T304-L307 PolarHBondContact O-N 3.04Å; T304-E308 WeakPolarHBondContact O-CG 3.18Å; T304-E308 PolarHBondContact O-N 3.48Å
305	A	67.1	Low	77	Confident	55 Å²	55	78.7 Å²	78.7	46%	0.455	39%	0.393	S	S	.	.	H	α-helix	trans	-60.3	-42.9	175.8	0	0	0	0	0	112.3	E301 A302 E308 L309	E301-A305 WeakPolarHBondContact O-CB 3.32Å; E301-A305 PolarHBondContact O-N 3.18Å; A302-A305 PolarHBondContact O-N 3.05Å; A305-E308 PolarHBondContact O-N 2.74Å; A305-L309 WeakPolarHBondContact O-CB 3.46Å; A305-L309 PolarHBondContact O-N 3.46Å
306	V	70.7	Confident	75.8	Confident	80 Å²	80	81.7 Å²	81.7	49%	0.485	41%	0.405	S	S	.	.	H	α-helix	trans	-63.8	-40.7	175.3	170.4	0	0	0	0	111.4	A302 N303 T304 L309 R310	A302-V306 VanDerWaalsContact O-CG2 3.26Å; A302-V306 WeakPolarHBondContact O-CG2 3.37Å; A302-V306 PolarHBondContact O-N 3.3Å; N303-V306 PolarHBondContact O-N 2.8Å; T304-V306 PolarHBondContact O-N 2.96Å; V306-L309 PolarHBondContact O-N 2.91Å; V306-R310 WeakPolarHBondContact O-CB 3.26Å; V306-R310 PolarHBondContact O-N 3.12Å
307	L	71.2	Confident	74.6	Confident	92 Å²	92	83.7 Å²	83.7	48%	0.482	42%	0.422	S	S	.	.	H	α-helix	trans	-65.9	-40	176.6	-176.8	65.9	0	0	0	111.6	N303 T304 R310 K311	N303-L307 WeakPolarHBondContact O-CB 3.32Å; N303-L307 PolarHBondContact O-N 2.97Å; T304-L307 WeakPolarHBondContact O-CB 3.41Å; T304-L307 PolarHBondContact O-N 3.04Å; L307-R310 PolarHBondContact O-N 3.2Å; L307-K311 WeakPolarHBondContact O-CB 3.18Å; L307-K311 VanDerWaalsContact O-CG 3.29Å; L307-K311 WeakPolarHBondContact O-CG 3.36Å; L307-K311 PolarHBondContact O-N 3.23Å
308	E	74.2	Confident	73.1	Confident	119 Å²	119	84.7 Å²	84.7	56%	0.556	43%	0.427	S	S	*	.	H	α-helix	trans	-65.4	-41	174.6	-74.4	179.4	-179.5	0	0	112	T304 A305 K311 R312	T304-E308 WeakPolarHBondContact O-CG 3.18Å; T304-E308 PolarHBondContact O-N 3.48Å; A305-E308 PolarHBondContact O-N 2.74Å; E308-K311 PolarHBondContact O-N 3.07Å; E308-R312 WeakPolarHBondContact O-CB 3.43Å; E308-R312 PolarHBondContact O-N 3.45Å
309	L	73.8	Confident	71.6	Confident	99 Å²	99	89.8 Å²	89.8	52%	0.518	45%	0.451	S	S	.	.	H	α-helix	trans	-64.2	-45.7	174.5	-174.1	66.6	0	0	0	111.1	A305 V306 K311 R312 M313	A305-L309 WeakPolarHBondContact O-CB 3.46Å; A305-L309 PolarHBondContact O-N 3.46Å; V306-L309 PolarHBondContact O-N 2.91Å; L309-K311 PolarHBondContact O-N 3.27Å; L309-R312 CarbonylContact O-C 3.23Å; L309-R312 WeakPolarHBondContact O-CB 3.39Å; L309-R312 PolarHBondContact O-N 3.38Å; L309-R312 VanDerWaalsContact O-N 3.08Å; L309-M313 HydrophobicContact CG-SD 4.38Å; L309-M313 WeakPolarHBondContact O-CG 3.14Å; L309-M313 PolarHBondContact O-N 2.98Å
310	R	72.2	Confident	70.4	Confident	145 Å²	145	95.6 Å²	95.6	55%	0.547	48%	0.477	S	S	.	.	H	α-helix	trans	-56.5	-49.3	172.7	-84.3	-172.3	179.8	178.9	-0.5	111.1	V306 L307 R312 M313 E314	V306-R310 WeakPolarHBondContact O-CB 3.26Å; V306-R310 PolarHBondContact O-N 3.12Å; L307-R310 PolarHBondContact O-N 3.2Å; R310-R312 PolarHBondContact O-N 2.87Å; R310-M313 PolarHBondContact O-N 3.15Å; R310-M313 VanDerWaalsContact O-N 3.17Å; R310-E314 WeakPolarHBondContact O-CB 3.39Å; R310-E314 VanDerWaalsContact O-CG 3.28Å; R310-E314 WeakPolarHBondContact O-CG 3.48Å; R310-E314 PolarHBondContact O-N 3.07Å
311	K	75.5	Confident	69.2	Low	102 Å²	102	99.9 Å²	99.9	44%	0.443	50%	0.499	S	S	.	.	H	α-helix	trans	-60.2	-32.3	175.5	-74.5	174	-179.6	178.1	0	113	L307 E308 L309 R315	L307-K311 WeakPolarHBondContact O-CB 3.18Å; L307-K311 VanDerWaalsContact O-CG 3.29Å; L307-K311 WeakPolarHBondContact O-CG 3.36Å; L307-K311 PolarHBondContact O-N 3.23Å; E308-K311 PolarHBondContact O-N 3.07Å; L309-K311 PolarHBondContact O-N 3.27Å; K311-R315 VanDerWaalsContact O-CB 3.31Å; K311-R315 WeakPolarHBondContact O-CB 3.45Å; K311-R315 VanDerWaalsContact O-CG 3.3Å; K311-R315 WeakPolarHBondContact O-CG 3.42Å; K311-R315 PolarHBondContact O-N 3.36Å; K311-R315 PolarHBondContact O-NE 2.8Å; K311-R315 VanDerWaalsContact O-NE 3.13Å
312	R	74.7	Confident	68.1	Low	160 Å²	160	102.3 Å²	102.3	60%	0.604	51%	0.514	S	S	*	.	H	α-helix	trans	-75.7	-40.6	176.2	-170.2	178.5	-178.8	178.2	-0	111.1	E308 L309 R310 R315 M316	E308-R312 WeakPolarHBondContact O-CB 3.43Å; E308-R312 PolarHBondContact O-N 3.45Å; L309-R312 CarbonylContact O-C 3.23Å; L309-R312 WeakPolarHBondContact O-CB 3.39Å; L309-R312 PolarHBondContact O-N 3.38Å; L309-R312 VanDerWaalsContact O-N 3.08Å; R310-R312 PolarHBondContact O-N 2.87Å; R312-R315 PolarHBondContact O-N 3.1Å; R312-M316 WeakPolarHBondContact O-CB 3.21Å; R312-M316 VanDerWaalsContact O-CG 3.25Å; R312-M316 WeakPolarHBondContact O-CG 3.21Å; R312-M316 PolarHBondContact O-N 3.42Å
313	M	73.9	Confident	67.1	Low	110 Å²	110	106.3 Å²	106.3	54%	0.542	53%	0.529	S	S	.	.	H	α-helix	trans	-66.5	-39.1	173.8	-71	-177.9	73.9	0	0	111.9	L309 R310 M316 S317	L309-M313 HydrophobicContact CG-SD 4.38Å; L309-M313 WeakPolarHBondContact O-CG 3.14Å; L309-M313 PolarHBondContact O-N 2.98Å; R310-M313 PolarHBondContact O-N 3.15Å; R310-M313 VanDerWaalsContact O-N 3.17Å; M313-M316 HydrophobicContact CB-CE 4.49Å; M313-M316 HydrophobicContact CG-CE 4.03Å; M313-M316 PolarHBondContact O-N 3.35Å; M313-S317 WeakPolarHBondContact O-CB 3.43Å; M313-S317 PolarHBondContact O-N 3.01Å
314	E	75.1	Confident	65.8	Low	120 Å²	120	106.3 Å²	106.3	56%	0.561	54%	0.541	S	S	*	.	H	α-helix	trans	-63.1	-45.5	172.4	-74.7	166.4	-172	0	0	110.7	R310 S317 T318	R310-E314 WeakPolarHBondContact O-CB 3.39Å; R310-E314 VanDerWaalsContact O-CG 3.28Å; R310-E314 WeakPolarHBondContact O-CG 3.48Å; R310-E314 PolarHBondContact O-N 3.07Å; E314-S317 PolarHBondContact O-N 3.39Å; E314-T318 PolarHBondContact O-N 3Å; E314-T318 PolarHBondContact O-OG1 3.2Å
315	R	75.9	Confident	64.5	Low	140 Å²	140	107.6 Å²	107.6	53%	0.528	55%	0.553	S	S	.	*	H	α-helix	trans	-60.2	-47.5	172	-84.1	-178.4	-82	165.1	-8.1	112.3	K311 R312 S317 T318 E319	K311-R315 VanDerWaalsContact O-CB 3.31Å; K311-R315 WeakPolarHBondContact O-CB 3.45Å; K311-R315 VanDerWaalsContact O-CG 3.3Å; K311-R315 WeakPolarHBondContact O-CG 3.42Å; K311-R315 PolarHBondContact O-N 3.36Å; K311-R315 PolarHBondContact O-NE 2.8Å; K311-R315 VanDerWaalsContact O-NE 3.13Å; R312-R315 PolarHBondContact O-N 3.1Å; R315-S317 VanDerWaalsContact C-N 3.31Å; R315-S317 PolarHBondContact O-N 2.95Å; R315-T318 WeakPolarHBondContact CA-OG1 3.38Å; R315-T318 CarbonylContact O-C 3.56Å; R315-T318 PolarHBondContact O-N 3.49Å; R315-T318 PolarHBondContact O-OG1 3.16Å; R315-T318 VanDerWaalsContact O-OG1 3.1Å; R315-E319 VanDerWaalsContact O-CB 3.27Å; R315-E319 WeakPolarHBondContact O-CB 3.29Å; R315-E319 WeakPolarHBondContact O-CG 3.35Å; R315-E319 PolarHBondContact O-N 3.42Å
316	M	69.6	Low	63.1	Low	90 Å²	90	109.1 Å²	109.1	44%	0.443	56%	0.56	S	S	.	*	H	α-helix	trans	-63.7	-37.4	176.9	-74.4	-173	-48.7	0	0	111.5	R312 M313 E319 H320	R312-M316 WeakPolarHBondContact O-CB 3.21Å; R312-M316 VanDerWaalsContact O-CG 3.25Å; R312-M316 WeakPolarHBondContact O-CG 3.21Å; R312-M316 PolarHBondContact O-N 3.42Å; M313-M316 HydrophobicContact CB-CE 4.49Å; M313-M316 HydrophobicContact CG-CE 4.03Å; M313-M316 PolarHBondContact O-N 3.35Å; M316-E319 PolarHBondContact O-N 3.02Å; M316-H320 VanDerWaalsContact O-CB 3.25Å; M316-H320 WeakPolarHBondContact O-CB 3.49Å; M316-H320 PolarHBondContact O-N 3.31Å
317	S	67.7	Low	61.4	Low	70 Å²	70	114.6 Å²	114.6	49%	0.49	58%	0.58	S	S	.	*	H	α-helix	trans	-66.4	-42.7	175	-175.4	0	0	0	0	111.2	M313 E314 R315 H320 L321	M313-S317 WeakPolarHBondContact O-CB 3.43Å; M313-S317 PolarHBondContact O-N 3.01Å; E314-S317 PolarHBondContact O-N 3.39Å; R315-S317 VanDerWaalsContact C-N 3.31Å; R315-S317 PolarHBondContact O-N 2.95Å; S317-H320 PolarHBondContact O-N 3.42Å; S317-L321 WeakPolarHBondContact O-CB 3.1Å; S317-L321 VanDerWaalsContact O-CG 3.27Å; S317-L321 WeakPolarHBondContact O-CG 3.35Å; S317-L321 PolarHBondContact O-N 3.4Å
318	T	61.7	Low	59.4	Low	79 Å²	79	117.9 Å²	117.9	49%	0.485	60%	0.598	S	S	.	*	H	α-helix	trans	-67.1	-35.2	173.1	23.1	0	0	0	0	112.6	E314 R315 N322	E314-T318 PolarHBondContact O-N 3Å; E314-T318 PolarHBondContact O-OG1 3.2Å; R315-T318 WeakPolarHBondContact CA-OG1 3.38Å; R315-T318 CarbonylContact O-C 3.56Å; R315-T318 PolarHBondContact O-N 3.49Å; R315-T318 PolarHBondContact O-OG1 3.16Å; R315-T318 VanDerWaalsContact O-OG1 3.1Å; T318-N322 PolarHBondContact O-N 2.96Å; T318-N322 PolarHBondContact O-ND2 3.42Å
319	E	59.2	Low	57.3	Low	107 Å²	107	121.7 Å²	121.7	50%	0.5	61%	0.613	S	S	.	*	H	α-helix	trans	-72.9	-37.1	175.3	-73.8	165.8	-171.2	0	0	111.8	R315 M316 N322 L323	R315-E319 VanDerWaalsContact O-CB 3.27Å; R315-E319 WeakPolarHBondContact O-CB 3.29Å; R315-E319 WeakPolarHBondContact O-CG 3.35Å; R315-E319 PolarHBondContact O-N 3.42Å; M316-E319 PolarHBondContact O-N 3.02Å; E319-N322 CarbonylContact O-C 3.59Å; E319-N322 PolarHBondContact O-N 3.32Å; E319-N322 VanDerWaalsContact O-N 3.12Å; E319-L323 WeakPolarHBondContact O-CB 3.32Å; E319-L323 VanDerWaalsContact O-CD1 3.29Å; E319-L323 WeakPolarHBondContact O-CD1 3.5Å; E319-L323 PolarHBondContact O-N 2.91Å
320	H	56.6	Low	55.2	Low	143 Å²	143	124.4 Å²	124.4	66%	0.662	63%	0.626	S	S	*	*	H	α-helix	trans	-68.6	-35.7	175.3	-136	74.9	0	0	0	111.1	M316 S317 N322 L323 A324	M316-H320 VanDerWaalsContact O-CB 3.25Å; M316-H320 WeakPolarHBondContact O-CB 3.49Å; M316-H320 PolarHBondContact O-N 3.31Å; S317-H320 PolarHBondContact O-N 3.42Å; H320-N322 VanDerWaalsContact C-N 3.25Å; H320-N322 PolarHBondContact O-N 3.48Å; H320-L323 PolarHBondContact O-N 3.4Å; H320-A324 WeakPolarHBondContact O-CB 3.5Å; H320-A324 PolarHBondContact O-N 2.96Å
321	L	53.9	Low	53.1	Low	130 Å²	130	122.8 Å²	122.8	68%	0.681	63%	0.633	S	S	*	*	H	α-helix	trans	-63.7	-31.4	170.4	-73	167.5	0	0	0	112.1	S317	S317-L321 WeakPolarHBondContact O-CB 3.1Å; S317-L321 VanDerWaalsContact O-CG 3.27Å; S317-L321 WeakPolarHBondContact O-CG 3.35Å; S317-L321 PolarHBondContact O-N 3.4Å
322	N	48.6	Very low	50.8	Low	117 Å²	117	124.8 Å²	124.8	63%	0.626	65%	0.654	S	S	*	*	H	α-helix	trans	-82.1	-37.8	176.3	-70.6	-23.8	0	0	0	113.1	T318 E319 H320 S325	T318-N322 PolarHBondContact O-N 2.96Å; T318-N322 PolarHBondContact O-ND2 3.42Å; E319-N322 CarbonylContact O-C 3.59Å; E319-N322 PolarHBondContact O-N 3.32Å; E319-N322 VanDerWaalsContact O-N 3.12Å; H320-N322 VanDerWaalsContact C-N 3.25Å; H320-N322 PolarHBondContact O-N 3.48Å; N322-S325 PolarHBondContact O-OG 2.92Å
323	L	46.8	Very low	48.6	Very low	124 Å²	124	123.1 Å²	123.1	65%	0.649	66%	0.661	S	S	*	*	H	α-helix	trans	-82.3	-25.4	-180	-91.8	92.9	0	0	0	114.1	E319 H320 S325 S326	E319-L323 WeakPolarHBondContact O-CB 3.32Å; E319-L323 VanDerWaalsContact O-CD1 3.29Å; E319-L323 WeakPolarHBondContact O-CD1 3.5Å; E319-L323 PolarHBondContact O-N 2.91Å; H320-L323 PolarHBondContact O-N 3.4Å; L323-S325 PolarHBondContact O-N 3.48Å; L323-S326 PolarHBondContact O-N 3.16Å
324	A	43.1	Very low	46.4	Very low	82 Å²	82	122.9 Å²	122.9	68%	0.678	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.5	-8.3	175.7	0	0	0	0	0	113.2	H320 S326	H320-A324 WeakPolarHBondContact O-CB 3.5Å; H320-A324 PolarHBondContact O-N 2.96Å; A324-S326 VanDerWaalsContact C-N 3.33Å
325	S	43.1	Very low	44.3	Very low	96 Å²	96	123.8 Å²	123.8	67%	0.671	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	-5	171.6	71.3	0	0	0	0	114.4	N322 L323	N322-S325 PolarHBondContact O-OG 2.92Å; L323-S325 PolarHBondContact O-N 3.48Å
326	S	38.3	Very low	42.2	Very low	87 Å²	87	125 Å²	125	61%	0.608	70%	0.698	S	S	*	*	S	Bend	trans	-151.2	84.6	-175.8	-74.3	0	0	0	0	113	L323 A324	L323-S326 PolarHBondContact O-N 3.16Å; A324-S326 VanDerWaalsContact C-N 3.33Å
327	Q	34.1	Very low	40.6	Very low	194 Å²	194	125.9 Å²	125.9	91%	0.907	71%	0.71	S	S	*	*				160.6	99.8	127.9	-85.7	175.5	6.6	0	0	110.6
328	N	29.4	Very low	39.1	Very low	162 Å²	162	131.8 Å²	131.8	87%	0.866	73%	0.73	S	S	*	*			trans	-80.5	130.2	155.6	-87.9	-32.4	0	0	0	108.9
329	K	29.8	Very low	37.6	Very low	199 Å²	199	136.3 Å²	136.3	87%	0.865	75%	0.745	S	S	*	*			trans	145.6	128.1	143.1	-83.2	170.1	-178.9	-178.2	0	110.5
330	I	31	Very low	36.6	Very low	156 Å²	156	140.5 Å²	140.5	80%	0.8	76%	0.762	S	S	*	*				164.5	96.5	127.1	-78.7	153.7	0	0	0	106
331	T	28	Very low	36.3	Very low	111 Å²	111	139.2 Å²	139.2	68%	0.681	77%	0.767	S	S	*	*				73.4	101.2	98.6	-35.9	0	0	0	0	113.3	T333	T331-T333 HydrophobicContact CG2-CG2 4.37Å
332	T	26.8	Very low	36.8	Very low	143 Å²	143	140.2 Å²	140.2	88%	0.877	77%	0.773	S	S	*	*			trans	-68.3	119.6	162.6	34.8	0	0	0	0	109.9
333	T	27.5	Very low	37.8	Very low	125 Å²	125	141.1 Å²	141.1	77%	0.767	78%	0.776	S	S	*	*			trans	-136.2	121.6	165.4	39.9	0	0	0	0	112.8	T331	T331-T333 HydrophobicContact CG2-CG2 4.37Å
334	S	29.4	Very low	39.4	Very low	105 Å²	105	136.7 Å²	136.7	73%	0.734	76%	0.755	S	S	*	*			trans	68.6	98.7	140.5	-149.6	0	0	0	0	119.5	M336	S334-M336 PolarHBondContact O-N 3.3Å
335	T	29.9	Very low	41.3	Very low	139 Å²	139	140 Å²	140	85%	0.853	75%	0.75	S	S	*	*			trans	-33.2	115.7	143.8	20.6	0	0	0	0	112.9
336	M	33	Very low	43.1	Very low	167 Å²	167	137.5 Å²	137.5	82%	0.823	73%	0.731	S	S	*	*			trans	-75.8	143	162.1	-76	-77.8	-83	0	0	109.5	S334 Q338	S334-M336 PolarHBondContact O-N 3.3Å; M336-Q338 PolarHBondContact O-N 3.37Å
337	P	34	Very low	45.3	Very low	107 Å²	107	136.4 Å²	136.4	70%	0.695	72%	0.723	S	S	*	*			trans	-69.9	127.3	-176.8	28.8	-33.3	0	0	0	110.6	H339	P337-H339 PolarHBondContact O-N 2.84Å
338	Q	36.3	Very low	47.8	Very low	194 Å²	194	129.3 Å²	129.3	91%	0.907	69%	0.691	S	S	*	*			trans	-67.3	91.8	170	-68	-180	-13.4	0	0	109.1	M336 K340	M336-Q338 PolarHBondContact O-N 3.37Å; Q338-K340 PolarHBondContact O-N 2.84Å
339	H	31.9	Very low	50.7	Low	174 Å²	174	121.9 Å²	121.9	81%	0.806	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-60	116.8	151.1	-103.8	-91.9	0	0	0	106.3	P337 P341	P337-H339 PolarHBondContact O-N 2.84Å; H339-P341 VanDerWaalsContact O-CD 3.27Å; H339-P341 WeakPolarHBondContact O-CD 3.23Å; H339-P341 VanDerWaalsContact O-N 3.09Å
340	K	37.6	Very low	53.5	Low	195 Å²	195	115.5 Å²	115.5	85%	0.848	63%	0.627	S	S	*	*	P	Polyproline II helix	trans	-53.6	117.8	166.6	-79.5	-179.3	177.2	177.5	0	106.4	Q338 D342	Q338-K340 PolarHBondContact O-N 2.84Å; K340-D342 PolarHBondContact O-N 3.47Å
341	P	50.6	Low	56.4	Low	117 Å²	117	111.2 Å²	111.2	76%	0.76	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-60.7	134.2	172.7	-5.1	15.6	0	0	0	107.5	H339 I343	H339-P341 VanDerWaalsContact O-CD 3.27Å; H339-P341 WeakPolarHBondContact O-CD 3.23Å; H339-P341 VanDerWaalsContact O-N 3.09Å; P341-I343 PolarHBondContact O-N 3.39Å
342	D	63.4	Low	59.3	Low	151 Å²	151	107.9 Å²	107.9	81%	0.807	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-50.6	131.6	170.1	-85.2	-35.2	0	0	0	108.9	K340 P344	K340-D342 PolarHBondContact O-N 3.47Å; D342-P344 VanDerWaalsContact O-CD 3.31Å; D342-P344 WeakPolarHBondContact O-CD 3.47Å
343	I	70.8	Confident	62.2	Low	135 Å²	135	104.7 Å²	104.7	69%	0.692	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-62.3	120.4	180	-62.2	168.7	0	0	0	107.3	P341 R345	P341-I343 PolarHBondContact O-N 3.39Å; I343-R345 PolarHBondContact O-N 2.86Å
344	P	79.4	Confident	65.3	Low	31 Å²	31	99.2 Å²	99.2	20%	0.201	52%	0.521	C	S	.	.	P	Polyproline II helix	trans	-57.5	138.4	-179.6	-23.4	32.6	0	0	0	111.1	D342 F349 F417	D342-P344 VanDerWaalsContact O-CD 3.31Å; D342-P344 WeakPolarHBondContact O-CD 3.47Å; P344-F349 HydrophobicContact CB-CE2 4.12Å; P344-F349 HydrophobicContact CB-CZ 4.47Å; P344-F417 HydrophobicContact CB-CD1 3.9Å; P344-F417 HydrophobicContact CB-CE1 4.16Å; P344-F417 VanDerWaalsContact O-CB 3.27Å; P344-F417 WeakPolarHBondContact O-CB 3.27Å; P344-F417 WeakPolarHBondContact O-CD1 3.24Å; P344-F417 WeakPolarHBondContact O-CG 3.34Å
345	R	83.7	Confident	68.1	Low	153 Å²	153	94.9 Å²	94.9	58%	0.577	49%	0.49	S	S	*	.			trans	-115.5	157.6	178.3	-69.1	178.4	-71.9	-169.7	-5.7	110.2	I343 S347 D348 F349	I343-R345 PolarHBondContact O-N 2.86Å; R345-S347 WeakPolarHBondContact CB-OG 3.42Å; R345-S347 PolarHBondContact O-N 3.34Å; R345-D348 PolarHBondContact N-OD2 3.13Å; R345-D348 WeakPolarHBondContact O-CB 3.27Å; R345-D348 PolarHBondContact O-N 2.95Å; R345-F349 WeakPolarHBondContact O-CD2 3.34Å
346	P	80.2	Confident	70.8	Confident	42 Å²	42	89 Å²	89	27%	0.273	46%	0.457	S	S	.	.	G	3₁₀ helix	trans	-53.8	-30.9	172.5	-17.4	23.3	0	0	0	113.1	D348 F349 F351 F417 Y424	P346-D348 PolarHBondContact O-N 3.34Å; P346-F349 PolarHBondContact O-N 2.91Å; P346-F351 HydrophobicContact CB-CE2 4.46Å; P346-F417 HydrophobicContact CB-CE2 4.3Å; P346-F417 VanDerWaalsContact CD-CE2 3.48Å; P346-F417 HydrophobicContact CG-CD2 4.38Å; P346-F417 HydrophobicContact CG-CE2 3.72Å; P346-Y424 HydrophobicContact CB-CE1 4.38Å; P346-Y424 HydrophobicContact CG-CE1 4.33Å; P346-Y424 HydrophobicContact CG-CE2 4.08Å
347	S	84.3	Confident	73.3	Confident	64 Å²	64	88.5 Å²	88.5	45%	0.448	45%	0.45	S	S	.	.	G	3₁₀ helix	trans	-64.3	-19.1	177.5	54	0	0	0	0	114.3	R345 F349 K369	R345-S347 WeakPolarHBondContact CB-OG 3.42Å; R345-S347 PolarHBondContact O-N 3.34Å; S347-F349 VanDerWaalsContact C-N 3.25Å; S347-K369 WeakPolarHBondContact O-CD 3.46Å; S347-K369 VanDerWaalsContact O-CE 3.25Å; S347-K369 WeakPolarHBondContact O-CE 3.35Å; S347-K369 PolarHBondContact O-NZ 2.94Å
348	D	86.7	Confident	75.3	Confident	45 Å²	45	85.3 Å²	85.3	24%	0.241	44%	0.437	C	S	.	.	G	3₁₀ helix	trans	-86.5	-4.1	-175.3	-51.3	-21.3	0	0	0	111.3	R345 P346 K369	R345-D348 PolarHBondContact N-OD2 3.13Å; R345-D348 WeakPolarHBondContact O-CB 3.27Å; R345-D348 PolarHBondContact O-N 2.95Å; P346-D348 PolarHBondContact O-N 3.34Å; D348-K369 WeakPolarHBondContact O-CB 3.14Å; D348-K369 WeakPolarHBondContact O-CG 3.47Å; D348-K369 PolarHBondContact O-N 2.78Å
349	F	89.7	Confident	77.1	Confident	7 Å²	7	80.3 Å²	80.3	3%	0.031	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	142.2	-179.5	-62.2	-87.5	0	0	0	111.5	P344 R345 P346 S347 F351 A366 E367 Q368 F375 F417 V426	P344-F349 HydrophobicContact CB-CE2 4.12Å; P344-F349 HydrophobicContact CB-CZ 4.47Å; R345-F349 WeakPolarHBondContact O-CD2 3.34Å; P346-F349 PolarHBondContact O-N 2.91Å; S347-F349 VanDerWaalsContact C-N 3.25Å; F349-F351 HydrophobicContact CB-CE2 4.46Å; F349-F351 HydrophobicContact CB-CZ 4.33Å; F349-A366 HydrophobicContact CB-CB 4.16Å; F349-A366 HydrophobicContact CD1-CB 4.24Å; F349-E367 CarbonylContact C-O 3.58Å; F349-E367 WeakPolarHBondContact CA-O 3.38Å; F349-Q368 HydrophobicContact CD1-CB 4.13Å; F349-Q368 HydrophobicContact CE1-CB 3.97Å; F349-Q368 HydrophobicContact CE1-CG 4.17Å; F349-F375 HydrophobicContact CE1-CD2 4.08Å; F349-F417 HydrophobicContact CD2-CE1 4.27Å; F349-F417 HydrophobicContact CD2-CZ 4.1Å; F349-F417 AromaticContact CE2-CE1 3.6Å; F349-F417 HydrophobicContact CE2-CE1 3.6Å; F349-F417 AromaticContact CE2-CZ 3.91Å; F349-F417 HydrophobicContact CE2-CZ 3.91Å; F349-F417 HydrophobicContact CZ-CE1 4.32Å; F349-V426 HydrophobicContact CE1-CG1 4.09Å; F349-V426 HydrophobicContact CE2-CG2 4.39Å; F349-V426 HydrophobicContact CZ-CG1 4.18Å; F349-V426 HydrophobicContact CZ-CG2 3.98Å
350	N	89.4	Confident	79.4	Confident	65 Å²	65	74 Å²	74	35%	0.348	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	111.4	163.1	-64.9	-32.7	0	0	0	108	L352 A366 E367 K369	N350-L352 HydrophobicContact CB-CD2 4.33Å; N350-A366 CarbonylContact O-C 3.41Å; N350-A366 VanDerWaalsContact O-CA 3.25Å; N350-A366 WeakPolarHBondContact O-CA 3.29Å; N350-E367 HydrophobicContact CB-CB 4.33Å; N350-E367 PolarHBondContact N-O 3.15Å; N350-E367 PolarHBondContact O-N 2.87Å; N350-K369 WeakPolarHBondContact OD1-CE 3.33Å
351	F	91.6	Very high	81.7	Confident	66 Å²	66	65.6 Å²	65.6	29%	0.289	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	121	175.3	-65.9	-75.2	0	0	0	110	P346 F349 I364 A366 V377 I379 Y424 A646	P346-F351 HydrophobicContact CB-CE2 4.46Å; F349-F351 HydrophobicContact CB-CE2 4.46Å; F349-F351 HydrophobicContact CB-CZ 4.33Å; F351-I364 HydrophobicContact CB-CG2 4.04Å; F351-I364 HydrophobicContact CD1-CB 4.18Å; F351-I364 HydrophobicContact CD1-CD1 4.21Å; F351-I364 HydrophobicContact CD1-CG2 3.92Å; F351-I364 HydrophobicContact CG-CG2 4.46Å; F351-A366 HydrophobicContact CD1-CB 3.94Å; F351-A366 HydrophobicContact CE1-CB 4.2Å; F351-V377 HydrophobicContact CE1-CB 4.19Å; F351-V377 HydrophobicContact CE1-CG1 4.17Å; F351-V377 HydrophobicContact CE1-CG2 4.39Å; F351-I379 HydrophobicContact CD1-CD1 4.3Å; F351-I379 HydrophobicContact CE1-CD1 3.78Å; F351-I379 HydrophobicContact CZ-CD1 4.24Å; F351-Y424 HydrophobicContact CZ-CE1 4.26Å; F351-A646 HydrophobicContact CB-CB 3.87Å
352	L	88.9	Confident	83.7	Confident	41 Å²	41	63.2 Å²	63.2	22%	0.215	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	-69.2	-170	-56.2	179.5	0	0	0	112.1	N350 L365 E367 L374 R632	N350-L352 HydrophobicContact CB-CD2 4.33Å; L352-L365 WeakPolarHBondContact CA-O 3.4Å; L352-L365 HydrophobicContact CB-CG 4.49Å; L352-L365 WeakPolarHBondContact CB-O 3.2Å; L352-L365 HydrophobicContact CD1-CD2 4.41Å; L352-L365 HydrophobicContact CD1-CG 4.27Å; L352-L365 PolarHBondContact N-O 3.13Å; L352-E367 HydrophobicContact CD1-CB 4.17Å; L352-L374 HydrophobicContact CD1-CD2 3.94Å; L352-R632 HydrophobicContact CD1-CG 4.4Å
353	F	88.6	Confident	85.1	Confident	75 Å²	75	57.7 Å²	57.7	33%	0.329	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	143.4	-172.4	-59.1	-73.6	0	0	0	111.3	L355 I364 L365 V634 T642	F353-L355 PolarHBondContact O-N 3.5Å; F353-I364 CarbonylContact O-C 3.47Å; F353-I364 VanDerWaalsContact O-CA 3.31Å; F353-I364 WeakPolarHBondContact O-CA 3.45Å; F353-I364 VanDerWaalsContact O-CG2 3.22Å; F353-I364 WeakPolarHBondContact O-CG2 3.4Å; F353-L365 HydrophobicContact CD2-CD2 4.22Å; F353-L365 PolarHBondContact O-N 2.74Å; F353-V634 HydrophobicContact CB-CG1 4.4Å; F353-V634 HydrophobicContact CD2-CG1 4.04Å; F353-V634 HydrophobicContact CD2-CG2 4.49Å; F353-V634 HydrophobicContact CG-CG1 4.43Å; F353-T642 WeakPolarHBondContact CD1-O 3.18Å
354	V	91.1	Very high	86.2	Confident	10 Å²	10	51.4 Å²	51.4	6%	0.061	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	123.1	168.3	-176.4	0	0	0	0	108.6	K362 F641 T642 R644	V354-K362 HydrophobicContact CG1-CB 4.43Å; V354-K362 HydrophobicContact CG2-CD 4.46Å; V354-F641 HydrophobicContact CG1-CB 4.37Å; V354-F641 CarbonylContact O-C 3.11Å; V354-F641 VanDerWaalsContact O-C 3.23Å; V354-F641 WeakPolarHBondContact O-CB 3.28Å; V354-T642 PolarHBondContact O-N 2.62Å; V354-R644 HydrophobicContact CG2-CB 4.49Å
355	L	88.7	Confident	86.9	Confident	15 Å²	15	49.9 Å²	49.9	8%	0.079	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	-30.9	177.8	-62.2	176.2	0	0	0	111.8	F353 V363 L365 A376 Y429 V634 F637	F353-L355 PolarHBondContact O-N 3.5Å; L355-V363 HydrophobicContact CB-CG1 4.36Å; L355-V363 HydrophobicContact CD1-CG1 4.38Å; L355-V363 PolarHBondContact N-O 3.49Å; L355-L365 HydrophobicContact CD1-CB 3.97Å; L355-L365 HydrophobicContact CD2-CB 4.04Å; L355-L365 HydrophobicContact CG-CB 3.98Å; L355-A376 HydrophobicContact CD1-CB 4.23Å; L355-Y429 HydrophobicContact CD1-CD2 3.82Å; L355-Y429 HydrophobicContact CD1-CE2 3.59Å; L355-Y429 HydrophobicContact CD2-CE2 4.02Å; L355-Y429 HydrophobicContact CG-CE2 4.47Å; L355-V634 HydrophobicContact CD2-CG1 3.92Å; L355-F637 HydrophobicContact CB-CD1 4.1Å; L355-F637 HydrophobicContact CB-CE1 4.12Å; L355-F637 HydrophobicContact CD1-CE1 4.37Å; L355-F637 HydrophobicContact CD1-CZ 4.46Å; L355-F637 HydrophobicContact CD2-CD1 3.95Å; L355-F637 HydrophobicContact CD2-CD2 4.06Å; L355-F637 HydrophobicContact CD2-CE1 3.94Å; L355-F637 HydrophobicContact CD2-CE2 4.07Å; L355-F637 HydrophobicContact CD2-CG 4Å; L355-F637 HydrophobicContact CD2-CZ 3.99Å; L355-F637 HydrophobicContact CG-CE1 4.37Å
356	G	87.3	Confident	87.4	Confident	16 Å²	16	42.6 Å²	42.6	17%	0.165	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.1	167.5	-179.8	0	0	0	0	0	113.1	K362 V363	G356-K362 WeakPolarHBondContact O-CA 3.33Å; G356-V363 PolarHBondContact N-O 3.31Å; G356-V363 PolarHBondContact O-N 3.22Å
357	K	85.5	Confident	88	Confident	155 Å²	155	41.5 Å²	41.5	67%	0.674	23%	0.233	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-129.6	125.9	178.7	-173.8	-175.7	174.7	-167.3	0	109.5	F641	K357-F641 HydrophobicContact CB-CE1 4.27Å
358	G	75.8	Confident	88.2	Confident	41 Å²	41	39.7 Å²	39.7	42%	0.423	22%	0.218	S	C	.	.			trans	-104.2	-174.4	171.6	0	0	0	0	0	111.7	G361	G358-G361 PolarHBondContact N-O 3.16Å
359	S	74	Confident	88.2	Confident	89 Å²	89	41.6 Å²	41.6	62%	0.622	22%	0.223	S	C	*	.	S	Bend	trans	-58.3	-49	176.4	47.5	0	0	0	0	112.4
360	F	79.2	Confident	87.8	Confident	42 Å²	42	50.5 Å²	50.5	18%	0.184	27%	0.265	C	S	.	.	S	Bend	trans	-96.6	-2.3	-171.3	-41.2	-65	0	0	0	114.6	L380 K381 V384 I385 D388 D390	F360-L380 HydrophobicContact CB-CD2 3.99Å; F360-K381 PolarHBondContact O-N 3.36Å; F360-K381 VanDerWaalsContact O-N 3.11Å; F360-V384 HydrophobicContact CD1-CG1 4.33Å; F360-I385 HydrophobicContact CB-CG1 4.08Å; F360-I385 HydrophobicContact CG-CG1 4.34Å; F360-D388 HydrophobicContact CE1-CB 4.08Å; F360-D390 HydrophobicContact CD1-CB 4.45Å; F360-D390 HydrophobicContact CE1-CB 3.67Å; F360-D390 WeakPolarHBondContact CE1-OD2 3.35Å; F360-D390 HydrophobicContact CE2-CB 4.34Å; F360-D390 HydrophobicContact CZ-CB 3.62Å; F360-D390 VanDerWaalsContact CZ-CG 3.41Å; F360-D390 WeakPolarHBondContact CZ-OD2 3.48Å
361	G	86.2	Confident	87.4	Confident	18 Å²	18	52.9 Å²	52.9	19%	0.186	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	179	-169.5	-164.2	0	0	0	0	0	116.9	G358 I379	G358-G361 PolarHBondContact N-O 3.16Å; G361-I379 WeakPolarHBondContact CA-O 3.49Å
362	K	92.8	Very high	86.9	Confident	67 Å²	67	54.2 Å²	54.2	29%	0.291	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	148.2	178.2	54.9	176.5	169.9	170.7	0	110.7	V354 G356 I364 I379 A646	V354-K362 HydrophobicContact CG1-CB 4.43Å; V354-K362 HydrophobicContact CG2-CD 4.46Å; G356-K362 WeakPolarHBondContact O-CA 3.33Å; K362-I364 HydrophobicContact CD-CD1 3.68Å; K362-I364 HydrophobicContact CD-CG1 4Å; K362-I364 HydrophobicContact CG-CD1 4.06Å; K362-I364 HydrophobicContact CG-CG1 4.02Å; K362-I379 PolarHBondContact N-O 3.3Å; K362-I379 VanDerWaalsContact N-O 3.1Å; K362-I379 PolarHBondContact O-N 2.98Å; K362-A646 PolarHBondContact NZ-OXT 3.34Å
363	V	93.1	Very high	87	Confident	35 Å²	35	57.2 Å²	57.2	21%	0.212	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	126.9	170.6	-174.5	0	0	0	0	107.5	L355 G356 A376 V377 K378	L355-V363 HydrophobicContact CB-CG1 4.36Å; L355-V363 HydrophobicContact CD1-CG1 4.38Å; L355-V363 PolarHBondContact N-O 3.49Å; G356-V363 PolarHBondContact N-O 3.31Å; G356-V363 PolarHBondContact O-N 3.22Å; V363-A376 HydrophobicContact CG1-CB 4.11Å; V363-V377 WeakPolarHBondContact CA-O 3.41Å; V363-K378 HydrophobicContact CG2-CB 4.17Å; V363-K378 HydrophobicContact CG2-CD 4.48Å; V363-K378 HydrophobicContact CG2-CG 4.02Å
364	I	94.4	Very high	87.2	Confident	2 Å²	2	55 Å²	55	1%	0.01	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	135.6	-175.9	-51.1	-175.2	0	0	0	109.4	F351 F353 K362 A366 V377 I379 A646	F351-I364 HydrophobicContact CB-CG2 4.04Å; F351-I364 HydrophobicContact CD1-CB 4.18Å; F351-I364 HydrophobicContact CD1-CD1 4.21Å; F351-I364 HydrophobicContact CD1-CG2 3.92Å; F351-I364 HydrophobicContact CG-CG2 4.46Å; F353-I364 CarbonylContact O-C 3.47Å; F353-I364 VanDerWaalsContact O-CA 3.31Å; F353-I364 WeakPolarHBondContact O-CA 3.45Å; F353-I364 VanDerWaalsContact O-CG2 3.22Å; F353-I364 WeakPolarHBondContact O-CG2 3.4Å; K362-I364 HydrophobicContact CD-CD1 3.68Å; K362-I364 HydrophobicContact CD-CG1 4Å; K362-I364 HydrophobicContact CG-CD1 4.06Å; K362-I364 HydrophobicContact CG-CG1 4.02Å; I364-A366 PolarHBondContact O-N 2.79Å; I364-V377 PolarHBondContact N-O 3.06Å; I364-V377 PolarHBondContact O-N 3.1Å; I364-I379 HydrophobicContact CD1-CD1 3.56Å; I364-I379 HydrophobicContact CG1-CD1 4.21Å; I364-A646 HydrophobicContact CD1-CB 4.48Å; I364-A646 HydrophobicContact CG2-CB 3.93Å
365	L	94.1	Very high	87.4	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	120.7	165.3	-180	56.8	0	0	0	108.9	L352 F353 L355 L374 Y429 V634	L352-L365 WeakPolarHBondContact CA-O 3.4Å; L352-L365 HydrophobicContact CB-CG 4.49Å; L352-L365 WeakPolarHBondContact CB-O 3.2Å; L352-L365 HydrophobicContact CD1-CD2 4.41Å; L352-L365 HydrophobicContact CD1-CG 4.27Å; L352-L365 PolarHBondContact N-O 3.13Å; F353-L365 HydrophobicContact CD2-CD2 4.22Å; F353-L365 PolarHBondContact O-N 2.74Å; L355-L365 HydrophobicContact CD1-CB 3.97Å; L355-L365 HydrophobicContact CD2-CB 4.04Å; L355-L365 HydrophobicContact CG-CB 3.98Å; L365-L374 HydrophobicContact CD1-CB 4.1Å; L365-L374 HydrophobicContact CD1-CD2 4.14Å; L365-L374 HydrophobicContact CG-CD2 4.45Å; L365-Y429 HydrophobicContact CD1-CD1 3.6Å; L365-Y429 HydrophobicContact CD1-CD2 3.78Å; L365-Y429 HydrophobicContact CD1-CE1 3.74Å; L365-Y429 HydrophobicContact CD1-CE2 3.93Å; L365-Y429 HydrophobicContact CD1-CG 3.61Å; L365-Y429 HydrophobicContact CD2-CE1 4.1Å; L365-V634 HydrophobicContact CD2-CG1 3.88Å
366	A	93.9	Very high	87.7	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	143.7	178.9	0	0	0	0	0	111.1	F349 N350 F351 I364 L374 F375 V377	F349-A366 HydrophobicContact CB-CB 4.16Å; F349-A366 HydrophobicContact CD1-CB 4.24Å; N350-A366 CarbonylContact O-C 3.41Å; N350-A366 VanDerWaalsContact O-CA 3.25Å; N350-A366 WeakPolarHBondContact O-CA 3.29Å; F351-A366 HydrophobicContact CD1-CB 3.94Å; F351-A366 HydrophobicContact CE1-CB 4.2Å; I364-A366 PolarHBondContact O-N 2.79Å; A366-L374 WeakPolarHBondContact O-CA 3.28Å; A366-F375 PolarHBondContact N-O 2.8Å; A366-F375 PolarHBondContact O-N 3.38Å; A366-V377 HydrophobicContact CB-CB 4.48Å; A366-V377 HydrophobicContact CB-CG2 3.57Å
367	E	92.5	Very high	88.1	Confident	18 Å²	18	54 Å²	54	8%	0.084	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	128	173	175.5	178.3	-118.9	0	0	109.4	F349 N350 L352 K369 E373 L374 R632	F349-E367 CarbonylContact C-O 3.58Å; F349-E367 WeakPolarHBondContact CA-O 3.38Å; N350-E367 HydrophobicContact CB-CB 4.33Å; N350-E367 PolarHBondContact N-O 3.15Å; N350-E367 PolarHBondContact O-N 2.87Å; L352-E367 HydrophobicContact CD1-CB 4.17Å; E367-K369 PolarHBondContact O-N 2.83Å; E367-E373 WeakPolarHBondContact CA-O 3.36Å; E367-L374 HydrophobicContact CB-CD2 3.79Å; E367-L374 HydrophobicContact CG-CD2 4.35Å; E367-R632 VanDerWaalsContact CD-NH2 3.29Å; E367-R632 IonicContact OE1-CZ 3.54Å; E367-R632 IonicContact OE1-NE 3.65Å; E367-R632 IonicContact OE1-NH2 2.67Å; E367-R632 PolarHBondContact OE1-NH2 3.13Å; E367-R632 IonicContact OE2-CZ 3.98Å; E367-R632 IonicContact OE2-NH2 3.18Å; E367-R632 PolarHBondContact OE2-NH2 2.9Å
368	Q	89.5	Confident	88.5	Confident	27 Å²	27	47.8 Å²	47.8	13%	0.126	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	125.6	174.5	-172.4	172.7	7.3	0	0	110.1	F349 H370 M371 E373 F375	F349-Q368 HydrophobicContact CD1-CB 4.13Å; F349-Q368 HydrophobicContact CE1-CB 3.97Å; F349-Q368 HydrophobicContact CE1-CG 4.17Å; Q368-H370 PolarHBondContact O-N 2.76Å; Q368-M371 HydrophobicContact CB-CB 4.46Å; Q368-M371 VanDerWaalsContact CD-SD 3.56Å; Q368-M371 HydrophobicContact CG-CB 4.45Å; Q368-M371 HydrophobicContact CG-SD 4.4Å; Q368-M371 PolarHBondContact O-N 3Å; Q368-M371 PolarHBondContact OE1-SD 2.84Å; Q368-E373 PolarHBondContact N-O 3.48Å; Q368-F375 HydrophobicContact CB-CD2 4.24Å; Q368-F375 HydrophobicContact CB-CE2 3.9Å
369	K	85.5	Confident	89.4	Confident	84 Å²	84	46.3 Å²	46.3	37%	0.365	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	138	179.6	-67.8	178	-180	174.7	0	109.9	S347 D348 N350 E367 M371	S347-K369 WeakPolarHBondContact O-CD 3.46Å; S347-K369 VanDerWaalsContact O-CE 3.25Å; S347-K369 WeakPolarHBondContact O-CE 3.35Å; S347-K369 PolarHBondContact O-NZ 2.94Å; D348-K369 WeakPolarHBondContact O-CB 3.14Å; D348-K369 WeakPolarHBondContact O-CG 3.47Å; D348-K369 PolarHBondContact O-N 2.78Å; N350-K369 WeakPolarHBondContact OD1-CE 3.33Å; E367-K369 PolarHBondContact O-N 2.83Å; K369-M371 PolarHBondContact O-N 3.24Å; K369-M371 VanDerWaalsContact O-N 3.16Å
370	H	82.7	Confident	90.3	Very high	194 Å²	194	42.2 Å²	42.2	90%	0.898	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.2	-8.3	178.7	-44	-70.9	0	0	0	116.9	Q368	Q368-H370 PolarHBondContact O-N 2.76Å
371	M	81	Confident	91	Very high	115 Å²	115	44.5 Å²	44.5	57%	0.567	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.3	-14.7	177.2	-65.4	-171.6	173.7	0	0	114	Q368 K369 E373	Q368-M371 HydrophobicContact CB-CB 4.46Å; Q368-M371 VanDerWaalsContact CD-SD 3.56Å; Q368-M371 HydrophobicContact CG-CB 4.45Å; Q368-M371 HydrophobicContact CG-SD 4.4Å; Q368-M371 PolarHBondContact O-N 3Å; Q368-M371 PolarHBondContact OE1-SD 2.84Å; K369-M371 PolarHBondContact O-N 3.24Å; K369-M371 VanDerWaalsContact O-N 3.16Å; M371-E373 HydrophobicContact CB-CB 4.39Å; M371-E373 HydrophobicContact CB-CG 4.34Å; M371-E373 PolarHBondContact O-N 3.45Å; M371-E373 VanDerWaalsContact O-N 3.12Å
372	D	81.3	Confident	91.4	Very high	95 Å²	95	46 Å²	46	51%	0.508	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	27.6	-175.1	-164.8	51.3	0	0	0	113
373	E	89.9	Confident	91.4	Very high	103 Å²	103	47.7 Å²	47.7	48%	0.481	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	141	177.6	-72	-171.5	-176.1	0	0	110.6	E367 Q368 M371 F375	E367-E373 WeakPolarHBondContact CA-O 3.36Å; Q368-E373 PolarHBondContact N-O 3.48Å; M371-E373 HydrophobicContact CB-CB 4.39Å; M371-E373 HydrophobicContact CB-CG 4.34Å; M371-E373 PolarHBondContact O-N 3.45Å; M371-E373 VanDerWaalsContact O-N 3.12Å; E373-F375 HydrophobicContact CB-CE2 3.78Å; E373-F375 HydrophobicContact CB-CZ 4.06Å
374	L	93	Very high	91.4	Very high	28 Å²	28	47.6 Å²	47.6	15%	0.147	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	139.9	-177.3	-68.1	172.4	0	0	0	111.3	L352 L365 A366 E367 Y429 K631 R632	L352-L374 HydrophobicContact CD1-CD2 3.94Å; L365-L374 HydrophobicContact CD1-CB 4.1Å; L365-L374 HydrophobicContact CD1-CD2 4.14Å; L365-L374 HydrophobicContact CG-CD2 4.45Å; A366-L374 WeakPolarHBondContact O-CA 3.28Å; E367-L374 HydrophobicContact CB-CD2 3.79Å; E367-L374 HydrophobicContact CG-CD2 4.35Å; L374-Y429 HydrophobicContact CB-CD1 4.21Å; L374-Y429 HydrophobicContact CD1-CD1 4.46Å; L374-K631 HydrophobicContact CD1-CB 3.71Å; L374-K631 WeakPolarHBondContact CD1-O 3.5Å; L374-R632 HydrophobicContact CD1-CB 4.48Å; L374-R632 HydrophobicContact CD1-CG 3.83Å; L374-R632 HydrophobicContact CD2-CG 4.22Å
375	F	94.8	Very high	91.2	Very high	13 Å²	13	47.8 Å²	47.8	6%	0.057	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	152.5	-179	-62.3	-78.2	0	0	0	111.1	F349 A366 Q368 E373 H414 V426 M427	F349-F375 HydrophobicContact CE1-CD2 4.08Å; A366-F375 PolarHBondContact N-O 2.8Å; A366-F375 PolarHBondContact O-N 3.38Å; Q368-F375 HydrophobicContact CB-CD2 4.24Å; Q368-F375 HydrophobicContact CB-CE2 3.9Å; E373-F375 HydrophobicContact CB-CE2 3.78Å; E373-F375 HydrophobicContact CB-CZ 4.06Å; F375-H414 HydrophobicContact CD1-CB 4.05Å; F375-H414 HydrophobicContact CE1-CB 3.79Å; F375-H414 AromaticContact CE1-CD2 3.63Å; F375-H414 AromaticContact CE1-CG 3.62Å; F375-H414 AromaticContact CZ-CD2 3.8Å; F375-V426 HydrophobicContact CB-CG1 3.58Å; F375-V426 HydrophobicContact CD1-CG1 3.83Å; F375-V426 HydrophobicContact CD2-CG1 4.24Å; F375-V426 HydrophobicContact CG-CG1 3.6Å; F375-M427 WeakPolarHBondContact CA-O 3.26Å; F375-M427 WeakPolarHBondContact CB-O 3.24Å
376	A	95.1	Very high	91.1	Very high	9 Å²	9	53.2 Å²	53.2	7%	0.074	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	116.9	165	0	0	0	0	0	108.7	L355 V363 M427 Y429	L355-A376 HydrophobicContact CD1-CB 4.23Å; V363-A376 HydrophobicContact CG1-CB 4.11Å; A376-M427 PolarHBondContact N-O 3.01Å; A376-M427 PolarHBondContact O-N 3.19Å; A376-Y429 HydrophobicContact CB-CD2 4.5Å
377	V	95.2	Very high	90.9	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	110.2	-179.8	-172.6	0	0	0	0	109.4	F351 V363 I364 A366 I379 Y424 L425 V426	F351-V377 HydrophobicContact CE1-CB 4.19Å; F351-V377 HydrophobicContact CE1-CG1 4.17Å; F351-V377 HydrophobicContact CE1-CG2 4.39Å; V363-V377 WeakPolarHBondContact CA-O 3.41Å; I364-V377 PolarHBondContact N-O 3.06Å; I364-V377 PolarHBondContact O-N 3.1Å; A366-V377 HydrophobicContact CB-CB 4.48Å; A366-V377 HydrophobicContact CB-CG2 3.57Å; V377-I379 HydrophobicContact CG1-CG1 3.93Å; V377-Y424 HydrophobicContact CG1-CD1 4.01Å; V377-L425 CarbonylContact C-O 3.56Å; V377-L425 WeakPolarHBondContact CA-O 3.25Å; V377-V426 HydrophobicContact CG1-CG2 4.45Å; V377-V426 HydrophobicContact CG2-CG1 4.33Å; V377-V426 HydrophobicContact CG2-CG2 4.27Å
378	K	95	Very high	90.7	Very high	23 Å²	23	63.3 Å²	63.3	10%	0.1	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	115.2	170.6	-170.3	173	-169	-176.2	0	108.3	V363 L380 E397 Y424 L425 M427 D491	V363-K378 HydrophobicContact CG2-CB 4.17Å; V363-K378 HydrophobicContact CG2-CD 4.48Å; V363-K378 HydrophobicContact CG2-CG 4.02Å; K378-L380 HydrophobicContact CD-CD2 4.38Å; K378-L380 HydrophobicContact CG-CD2 4.01Å; K378-L380 HydrophobicContact CG-CG 4.44Å; K378-E397 IonicContact NZ-OE1 3.91Å; K378-E397 PolarHBondContact NZ-OE1 3.3Å; K378-E397 IonicContact NZ-OE2 3.93Å; K378-E397 PolarHBondContact NZ-OE2 3.36Å; K378-Y424 WeakPolarHBondContact O-CA 3.49Å; K378-L425 HydrophobicContact CB-CB 4.28Å; K378-L425 PolarHBondContact N-O 3.16Å; K378-L425 PolarHBondContact O-N 2.53Å; K378-M427 HydrophobicContact CB-CE 3.71Å; K378-D491 IonicContact NZ-OD1 2.83Å; K378-D491 PolarHBondContact NZ-OD1 3.4Å
379	I	94.7	Very high	90.6	Very high	10 Å²	10	69 Å²	69	5%	0.051	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	115.5	-178.3	-50.8	177.9	0	0	0	108.5	F351 G361 K362 I364 V377 R422 L423 Y424	F351-I379 HydrophobicContact CD1-CD1 4.3Å; F351-I379 HydrophobicContact CE1-CD1 3.78Å; F351-I379 HydrophobicContact CZ-CD1 4.24Å; G361-I379 WeakPolarHBondContact CA-O 3.49Å; K362-I379 PolarHBondContact N-O 3.3Å; K362-I379 VanDerWaalsContact N-O 3.1Å; K362-I379 PolarHBondContact O-N 2.98Å; I364-I379 HydrophobicContact CD1-CD1 3.56Å; I364-I379 HydrophobicContact CG1-CD1 4.21Å; V377-I379 HydrophobicContact CG1-CG1 3.93Å; I379-R422 HydrophobicContact CG2-CB 4.22Å; I379-R422 HydrophobicContact CG2-CG 4.26Å; I379-L423 WeakPolarHBondContact CA-O 3.31Å; I379-Y424 HydrophobicContact CB-CD1 4.44Å; I379-Y424 HydrophobicContact CB-CE1 4.44Å; I379-Y424 HydrophobicContact CD1-CD1 4.18Å; I379-Y424 HydrophobicContact CD1-CE1 3.88Å; I379-Y424 HydrophobicContact CG1-CD1 3.77Å; I379-Y424 HydrophobicContact CG1-CE1 3.89Å; I379-Y424 HydrophobicContact CG2-CD1 4.16Å; I379-Y424 HydrophobicContact CG2-CE1 3.79Å
380	L	93.4	Very high	90.8	Very high	4 Å²	4	67.3 Å²	67.3	2%	0.021	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	138.6	-179.1	-48.9	167.4	0	0	0	109.8	F360 K378 I385 A394 R422 L423	F360-L380 HydrophobicContact CB-CD2 3.99Å; K378-L380 HydrophobicContact CD-CD2 4.38Å; K378-L380 HydrophobicContact CG-CD2 4.01Å; K378-L380 HydrophobicContact CG-CG 4.44Å; L380-I385 HydrophobicContact CB-CD1 3.61Å; L380-I385 HydrophobicContact CB-CG1 4.49Å; L380-I385 HydrophobicContact CD1-CD1 4.21Å; L380-A394 HydrophobicContact CD1-CB 4.24Å; L380-R422 CarbonylContact O-C 3.49Å; L380-R422 WeakPolarHBondContact O-CA 3.31Å; L380-R422 WeakPolarHBondContact O-CB 3.22Å; L380-L423 HydrophobicContact CB-CB 4.33Å; L380-L423 PolarHBondContact N-O 3.49Å; L380-L423 PolarHBondContact O-N 3.24Å
381	K	93.7	Very high	91.3	Very high	89 Å²	89	61.3 Å²	61.3	39%	0.387	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	129.9	175.9	-58.9	-178.2	174.8	-179.1	0	110.6	F360 D383 V384 I385	F360-K381 PolarHBondContact O-N 3.36Å; F360-K381 VanDerWaalsContact O-N 3.11Å; K381-D383 WeakPolarHBondContact CB-OD1 3.4Å; K381-V384 HydrophobicContact CB-CB 4.23Å; K381-V384 HydrophobicContact CB-CG2 3.91Å; K381-V384 HydrophobicContact CD-CG2 3.9Å; K381-V384 PolarHBondContact O-N 2.79Å; K381-I385 WeakPolarHBondContact O-CG1 3.31Å; K381-I385 PolarHBondContact O-N 2.91Å; K381-I385 VanDerWaalsContact O-N 3.1Å
382	K	94.2	Very high	91.8	Very high	50 Å²	50	60.6 Å²	60.6	22%	0.217	31%	0.308	C	S	.	.	H	α-helix	trans	-68.1	-37.9	-175.6	-71.3	176.4	173.8	179.7	0	112.9	I385 L386 S419 M420 D421 L423	K382-I385 PolarHBondContact O-N 3.11Å; K382-L386 WeakPolarHBondContact O-CB 3.13Å; K382-L386 VanDerWaalsContact O-CG 3.24Å; K382-L386 WeakPolarHBondContact O-CG 3.5Å; K382-L386 PolarHBondContact O-N 3.49Å; K382-S419 WeakPolarHBondContact CE-O 3.34Å; K382-S419 PolarHBondContact NZ-O 3.15Å; K382-M420 WeakPolarHBondContact CD-O 3.41Å; K382-M420 PolarHBondContact NZ-O 2.86Å; K382-D421 WeakPolarHBondContact CB-O 3.49Å; K382-D421 WeakPolarHBondContact CG-O 3.43Å; K382-D421 PolarHBondContact N-O 2.94Å; K382-L423 HydrophobicContact CG-CD2 4.45Å; K382-L423 HydrophobicContact CG-CG 4.22Å
383	D	93.2	Very high	92.2	Very high	103 Å²	103	57.7 Å²	57.7	55%	0.551	30%	0.295	S	S	*	.	H	α-helix	trans	-61.2	-44.9	176.5	57.8	-15.6	0	0	0	111.5	K381 L386 Q387	K381-D383 WeakPolarHBondContact CB-OD1 3.4Å; D383-L386 PolarHBondContact O-N 3.38Å; D383-Q387 VanDerWaalsContact O-CB 3.31Å; D383-Q387 WeakPolarHBondContact O-CB 3.35Å; D383-Q387 PolarHBondContact O-N 2.77Å
384	V	92	Very high	92.3	Very high	32 Å²	32	53.3 Å²	53.3	19%	0.194	28%	0.276	C	S	.	.	H	α-helix	trans	-65	-45.6	176.6	-176.9	0	0	0	0	111.2	F360 K381 L386 Q387 D388	F360-V384 HydrophobicContact CD1-CG1 4.33Å; K381-V384 HydrophobicContact CB-CB 4.23Å; K381-V384 HydrophobicContact CB-CG2 3.91Å; K381-V384 HydrophobicContact CD-CG2 3.9Å; K381-V384 PolarHBondContact O-N 2.79Å; V384-L386 VanDerWaalsContact C-N 3.27Å; V384-L386 PolarHBondContact O-N 2.83Å; V384-Q387 PolarHBondContact O-N 3.48Å; V384-D388 PolarHBondContact O-N 3Å
385	I	91.1	Very high	92.3	Very high	6 Å²	6	55.2 Å²	55.2	3%	0.031	29%	0.285	C	S	.	.	H	α-helix	trans	-58.5	-40.8	176.3	-68.2	164.4	0	0	0	111.5	F360 L380 K381 K382 D389 D390 V391 A394 L423	F360-I385 HydrophobicContact CB-CG1 4.08Å; F360-I385 HydrophobicContact CG-CG1 4.34Å; L380-I385 HydrophobicContact CB-CD1 3.61Å; L380-I385 HydrophobicContact CB-CG1 4.49Å; L380-I385 HydrophobicContact CD1-CD1 4.21Å; K381-I385 WeakPolarHBondContact O-CG1 3.31Å; K381-I385 PolarHBondContact O-N 2.91Å; K381-I385 VanDerWaalsContact O-N 3.1Å; K382-I385 PolarHBondContact O-N 3.11Å; I385-D389 PolarHBondContact O-N 3.47Å; I385-D390 PolarHBondContact O-N 3.28Å; I385-V391 HydrophobicContact CG2-CB 4.34Å; I385-V391 HydrophobicContact CG2-CG2 3.87Å; I385-A394 HydrophobicContact CD1-CB 4.17Å; I385-L423 HydrophobicContact CD1-CD1 3.93Å
386	L	91.4	Very high	92.3	Very high	115 Å²	115	54.9 Å²	54.9	60%	0.602	28%	0.284	S	S	*	.	H	α-helix	trans	-73	-34.6	179	-72.8	169.2	0	0	0	112.3	K382 D383 V384 D388 V391	K382-L386 WeakPolarHBondContact O-CB 3.13Å; K382-L386 VanDerWaalsContact O-CG 3.24Å; K382-L386 WeakPolarHBondContact O-CG 3.5Å; K382-L386 PolarHBondContact O-N 3.49Å; D383-L386 PolarHBondContact O-N 3.38Å; V384-L386 VanDerWaalsContact C-N 3.27Å; V384-L386 PolarHBondContact O-N 2.83Å; L386-D388 VanDerWaalsContact C-N 3.34Å; L386-V391 HydrophobicContact CD2-CG2 3.85Å
387	Q	90.3	Very high	92.3	Very high	155 Å²	155	54.9 Å²	54.9	72%	0.724	28%	0.283	S	S	*	.	H	α-helix	trans	-67.9	-35.8	177.8	-178.7	176.3	-4	0	0	112.1	D383 V384	D383-Q387 VanDerWaalsContact O-CB 3.31Å; D383-Q387 WeakPolarHBondContact O-CB 3.35Å; D383-Q387 PolarHBondContact O-N 2.77Å; V384-Q387 PolarHBondContact O-N 3.48Å
388	D	87.6	Confident	92.2	Very high	75 Å²	75	59.7 Å²	59.7	40%	0.401	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	4.5	-178.7	-62.4	-15.4	0	0	0	113	F360 V384 L386 D390	F360-D388 HydrophobicContact CE1-CB 4.08Å; V384-D388 PolarHBondContact O-N 3Å; L386-D388 VanDerWaalsContact C-N 3.34Å; D388-D390 PolarHBondContact O-N 3.47Å
389	D	87.6	Confident	92.2	Very high	147 Å²	147	62.1 Å²	62.1	79%	0.786	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.8	24.6	-176.6	-70.2	-38.8	0	0	0	115.1	I385 V391	I385-D389 PolarHBondContact O-N 3.47Å; D389-V391 PolarHBondContact O-N 2.85Å
390	D	89.7	Confident	92.3	Very high	47 Å²	47	61.8 Å²	61.8	25%	0.251	31%	0.308	S	S	.	.			trans	-97.3	22.8	-169.4	-89	-49.6	0	0	0	115.1	F360 I385 D388 E392 C393 A394	F360-D390 HydrophobicContact CD1-CB 4.45Å; F360-D390 HydrophobicContact CE1-CB 3.67Å; F360-D390 WeakPolarHBondContact CE1-OD2 3.35Å; F360-D390 HydrophobicContact CE2-CB 4.34Å; F360-D390 HydrophobicContact CZ-CB 3.62Å; F360-D390 VanDerWaalsContact CZ-CG 3.41Å; F360-D390 WeakPolarHBondContact CZ-OD2 3.48Å; I385-D390 PolarHBondContact O-N 3.28Å; D388-D390 PolarHBondContact O-N 3.47Å; D390-E392 VanDerWaalsContact C-N 3.26Å; D390-E392 PolarHBondContact O-N 2.91Å; D390-C393 HydrophobicContact CB-CB 4.35Å; D390-C393 WeakPolarHBondContact O-CB 3.45Å; D390-C393 PolarHBondContact O-N 3.43Å; D390-C393 VanDerWaalsContact O-N 3.16Å; D390-C393 PolarHBondContact OD1-SG 3.18Å; D390-A394 PolarHBondContact O-N 3.31Å
391	V	92.2	Very high	92.4	Very high	69 Å²	69	61.7 Å²	61.7	42%	0.418	31%	0.307	S	S	.	.	H	α-helix	trans	-57.1	-41.3	-179.9	179.2	0	0	0	0	111.5	I385 L386 D389 C393 A394 M395	I385-V391 HydrophobicContact CG2-CB 4.34Å; I385-V391 HydrophobicContact CG2-CG2 3.87Å; L386-V391 HydrophobicContact CD2-CG2 3.85Å; D389-V391 PolarHBondContact O-N 2.85Å; V391-C393 VanDerWaalsContact C-N 3.35Å; V391-C393 PolarHBondContact O-N 2.98Å; V391-A394 PolarHBondContact O-N 3.43Å; V391-M395 HydrophobicContact CG1-CG 4.28Å; V391-M395 WeakPolarHBondContact O-CB 3.47Å; V391-M395 VanDerWaalsContact O-CG 3.26Å; V391-M395 WeakPolarHBondContact O-CG 3.43Å; V391-M395 PolarHBondContact O-N 2.96Å
392	E	91.5	Very high	92.4	Very high	99 Å²	99	60.5 Å²	60.5	46%	0.463	31%	0.314	S	S	.	.	H	α-helix	trans	-69.5	-32.5	-178.7	-174.3	56.4	-158.7	0	0	112.3	D390 M395 T396 R399	D390-E392 VanDerWaalsContact C-N 3.26Å; D390-E392 PolarHBondContact O-N 2.91Å; E392-M395 PolarHBondContact O-N 2.97Å; E392-T396 VanDerWaalsContact O-CB 3.22Å; E392-T396 WeakPolarHBondContact O-CB 3.48Å; E392-T396 PolarHBondContact O-N 2.98Å; E392-T396 PolarHBondContact O-OG1 2.78Å; E392-T396 PolarHBondContact OE1-OG1 2.89Å; E392-R399 IonicContact OE1-CZ 3.68Å; E392-R399 IonicContact OE1-NH1 3.73Å; E392-R399 IonicContact OE1-NH2 3.02Å; E392-R399 PolarHBondContact OE1-NH2 3.09Å
393	C	91.3	Very high	92.4	Very high	35 Å²	35	59.7 Å²	59.7	24%	0.236	31%	0.312	C	S	.	.	H	α-helix	trans	-63.3	-47.9	174.5	-63.2	0	0	0	0	110.5	D390 V391 M395 T396 E397	D390-C393 HydrophobicContact CB-CB 4.35Å; D390-C393 WeakPolarHBondContact O-CB 3.45Å; D390-C393 PolarHBondContact O-N 3.43Å; D390-C393 VanDerWaalsContact O-N 3.16Å; D390-C393 PolarHBondContact OD1-SG 3.18Å; V391-C393 VanDerWaalsContact C-N 3.35Å; V391-C393 PolarHBondContact O-N 2.98Å; C393-M395 PolarHBondContact O-N 3.11Å; C393-T396 PolarHBondContact O-N 2.9Å; C393-E397 WeakPolarHBondContact O-CB 3.02Å; C393-E397 PolarHBondContact O-N 3.02Å
394	A	91.8	Very high	92.3	Very high	11 Å²	11	58.9 Å²	58.9	9%	0.091	31%	0.312	C	S	.	.	H	α-helix	trans	-63.3	-39.8	176.4	0	0	0	0	0	112.7	L380 I385 D390 V391 R398 L423	L380-A394 HydrophobicContact CD1-CB 4.24Å; I385-A394 HydrophobicContact CD1-CB 4.17Å; D390-A394 PolarHBondContact O-N 3.31Å; V391-A394 PolarHBondContact O-N 3.43Å; A394-R398 PolarHBondContact O-N 2.95Å; A394-L423 HydrophobicContact CB-CD1 4.48Å
395	M	92.7	Very high	92.2	Very high	68 Å²	68	64.9 Å²	64.9	34%	0.335	34%	0.343	S	S	.	.	H	α-helix	trans	-71.3	-38.2	178.5	-70.7	-61.2	-69.4	0	0	112.6	V391 E392 C393 R398 R399	V391-M395 HydrophobicContact CG1-CG 4.28Å; V391-M395 WeakPolarHBondContact O-CB 3.47Å; V391-M395 VanDerWaalsContact O-CG 3.26Å; V391-M395 WeakPolarHBondContact O-CG 3.43Å; V391-M395 PolarHBondContact O-N 2.96Å; E392-M395 PolarHBondContact O-N 2.97Å; C393-M395 PolarHBondContact O-N 3.11Å; M395-R398 PolarHBondContact O-N 2.88Å; M395-R399 WeakPolarHBondContact O-CG 3.26Å; M395-R399 PolarHBondContact O-N 3.2Å; M395-R399 VanDerWaalsContact O-N 3.13Å
396	T	94	Very high	92	Very high	6 Å²	6	65.8 Å²	65.8	4%	0.037	35%	0.347	C	S	.	.	H	α-helix	trans	-63.9	-48.8	174.8	-61.2	0	0	0	0	110.3	E392 C393 R398 R399 V400 C495 E497	E392-T396 VanDerWaalsContact O-CB 3.22Å; E392-T396 WeakPolarHBondContact O-CB 3.48Å; E392-T396 PolarHBondContact O-N 2.98Å; E392-T396 PolarHBondContact O-OG1 2.78Å; E392-T396 PolarHBondContact OE1-OG1 2.89Å; C393-T396 PolarHBondContact O-N 2.9Å; T396-R398 VanDerWaalsContact C-N 3.27Å; T396-R398 PolarHBondContact O-N 3.23Å; T396-R399 PolarHBondContact O-N 3.2Å; T396-R399 PolarHBondContact OG1-NH2 3.22Å; T396-V400 HydrophobicContact CG2-CG2 4.06Å; T396-V400 WeakPolarHBondContact O-CG2 3.43Å; T396-V400 PolarHBondContact O-N 2.78Å; T396-C495 HydrophobicContact CG2-CB 3.84Å; T396-E497 HydrophobicContact CG2-CG 4.18Å
397	E	95	Very high	92.1	Very high	8 Å²	8	61 Å²	61	4%	0.037	32%	0.323	C	S	.	.	H	α-helix	trans	-52.9	-48	177.4	-177.2	168.6	-161.9	0	0	110.9	K378 C393 R399 V400 L401 L425 F492	K378-E397 IonicContact NZ-OE1 3.91Å; K378-E397 PolarHBondContact NZ-OE1 3.3Å; K378-E397 IonicContact NZ-OE2 3.93Å; K378-E397 PolarHBondContact NZ-OE2 3.36Å; C393-E397 WeakPolarHBondContact O-CB 3.02Å; C393-E397 PolarHBondContact O-N 3.02Å; E397-R399 PolarHBondContact O-N 3.27Å; E397-V400 PolarHBondContact O-N 3.17Å; E397-L401 HydrophobicContact CG-CD1 3.75Å; E397-L401 HydrophobicContact CG-CG 4.31Å; E397-L401 WeakPolarHBondContact O-CB 3.46Å; E397-L401 VanDerWaalsContact O-CG 3.27Å; E397-L401 WeakPolarHBondContact O-CG 3.22Å; E397-L401 PolarHBondContact O-N 3.25Å; E397-L425 HydrophobicContact CG-CD1 4.11Å; E397-F492 HydrophobicContact CG-CB 4.23Å
398	R	94.3	Very high	92.4	Very high	102 Å²	102	54.9 Å²	54.9	39%	0.385	30%	0.297	S	S	.	.	H	α-helix	trans	-57.9	-44.3	176.3	-172.9	-163.6	70.5	138	1.9	112.7	A394 M395 T396 L401 A402 L425	A394-R398 PolarHBondContact O-N 2.95Å; M395-R398 PolarHBondContact O-N 2.88Å; T396-R398 VanDerWaalsContact C-N 3.27Å; T396-R398 PolarHBondContact O-N 3.23Å; R398-L401 PolarHBondContact O-N 2.92Å; R398-A402 VanDerWaalsContact O-CB 3.31Å; R398-A402 WeakPolarHBondContact O-CB 3.35Å; R398-A402 PolarHBondContact O-N 3.42Å; R398-L425 HydrophobicContact CB-CD2 4.24Å; R398-L425 HydrophobicContact CG-CD2 4.16Å
399	R	95.4	Very high	92.9	Very high	74 Å²	74	51.4 Å²	51.4	28%	0.279	28%	0.278	S	S	.	.	H	α-helix	trans	-68.5	-45.3	-177.6	-71.7	-173.4	-56.5	-101.8	0.9	111.6	E392 M395 T396 E397 L401 A402 L403 E497	E392-R399 IonicContact OE1-CZ 3.68Å; E392-R399 IonicContact OE1-NH1 3.73Å; E392-R399 IonicContact OE1-NH2 3.02Å; E392-R399 PolarHBondContact OE1-NH2 3.09Å; M395-R399 WeakPolarHBondContact O-CG 3.26Å; M395-R399 PolarHBondContact O-N 3.2Å; M395-R399 VanDerWaalsContact O-N 3.13Å; T396-R399 PolarHBondContact O-N 3.2Å; T396-R399 PolarHBondContact OG1-NH2 3.22Å; E397-R399 PolarHBondContact O-N 3.27Å; R399-L401 VanDerWaalsContact C-N 3.31Å; R399-L401 PolarHBondContact O-N 2.96Å; R399-A402 PolarHBondContact O-N 3.09Å; R399-L403 PolarHBondContact O-N 3.41Å; R399-E497 VanDerWaalsContact CB-OE2 3.29Å; R399-E497 WeakPolarHBondContact CB-OE2 3.04Å; R399-E497 IonicContact CZ-OE1 3.16Å; R399-E497 IonicContact NE-OE1 2.74Å; R399-E497 PolarHBondContact NE-OE1 2.98Å; R399-E497 IonicContact NE-OE2 3.63Å; R399-E497 IonicContact NH2-OE1 3.1Å; R399-E497 PolarHBondContact NH2-OE1 2.86Å
400	V	95.9	Very high	93.4	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.012	24%	0.241	C	C	.	.	H	α-helix	trans	-63.5	-40.4	175.4	-178.9	0	0	0	0	110.8	T396 E397 A402 L403 K406 L464 I469 F492 C495 E497	T396-V400 HydrophobicContact CG2-CG2 4.06Å; T396-V400 WeakPolarHBondContact O-CG2 3.43Å; T396-V400 PolarHBondContact O-N 2.78Å; E397-V400 PolarHBondContact O-N 3.17Å; V400-A402 PolarHBondContact O-N 3.12Å; V400-L403 HydrophobicContact CG1-CD1 4.16Å; V400-L403 WeakPolarHBondContact O-CG 3.44Å; V400-L403 PolarHBondContact O-N 2.71Å; V400-K406 WeakPolarHBondContact O-CE 3.49Å; V400-K406 PolarHBondContact O-NZ 2.88Å; V400-L464 HydrophobicContact CG1-CD2 3.95Å; V400-I469 HydrophobicContact CG2-CD1 4.21Å; V400-I469 HydrophobicContact CG2-CG2 4.19Å; V400-F492 HydrophobicContact CB-CB 3.98Å; V400-F492 HydrophobicContact CB-CG 4.25Å; V400-F492 HydrophobicContact CG1-CB 3.88Å; V400-F492 HydrophobicContact CG1-CD1 3.5Å; V400-F492 HydrophobicContact CG1-CD2 4.41Å; V400-F492 HydrophobicContact CG1-CE1 4.12Å; V400-F492 HydrophobicContact CG1-CG 3.67Å; V400-C495 HydrophobicContact CG2-CB 3.91Å; V400-E497 HydrophobicContact CG2-CG 4.28Å
401	L	95	Very high	93.8	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.01	23%	0.231	C	C	.	.	H	α-helix	trans	-64.1	-23.4	174	-82.8	176.8	0	0	0	113.4	E397 R398 R399 K406 V411 L413 L425 M427 F492	E397-L401 HydrophobicContact CG-CD1 3.75Å; E397-L401 HydrophobicContact CG-CG 4.31Å; E397-L401 WeakPolarHBondContact O-CB 3.46Å; E397-L401 VanDerWaalsContact O-CG 3.27Å; E397-L401 WeakPolarHBondContact O-CG 3.22Å; E397-L401 PolarHBondContact O-N 3.25Å; R398-L401 PolarHBondContact O-N 2.92Å; R399-L401 VanDerWaalsContact C-N 3.31Å; R399-L401 PolarHBondContact O-N 2.96Å; L401-K406 WeakPolarHBondContact O-CE 3.22Å; L401-K406 PolarHBondContact O-NZ 2.76Å; L401-V411 HydrophobicContact CD2-CG1 4.3Å; L401-L413 HydrophobicContact CB-CB 4.03Å; L401-L413 HydrophobicContact CB-CD1 4.33Å; L401-L413 HydrophobicContact CB-CD2 4.25Å; L401-L413 HydrophobicContact CB-CG 4.44Å; L401-L413 HydrophobicContact CD1-CD1 4.31Å; L401-L413 WeakPolarHBondContact O-CB 3.25Å; L401-L425 HydrophobicContact CD1-CD1 4.03Å; L401-M427 HydrophobicContact CD1-CG 4.32Å; L401-M427 HydrophobicContact CD1-SD 3.76Å; L401-M427 HydrophobicContact CD2-SD 4.23Å; L401-F492 HydrophobicContact CD2-CD2 3.58Å; L401-F492 HydrophobicContact CD2-CE2 3.61Å; L401-F492 HydrophobicContact CG-CD2 3.81Å; L401-F492 HydrophobicContact CG-CE2 4.34Å
402	A	94.6	Very high	93.8	Very high	64 Å²	64	44.4 Å²	44.4	53%	0.529	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	3.1	-179	0	0	0	0	0	114.6	R398 R399 V400 L413	R398-A402 VanDerWaalsContact O-CB 3.31Å; R398-A402 WeakPolarHBondContact O-CB 3.35Å; R398-A402 PolarHBondContact O-N 3.42Å; R399-A402 PolarHBondContact O-N 3.09Å; V400-A402 PolarHBondContact O-N 3.12Å; A402-L413 HydrophobicContact CB-CD2 4.19Å
403	L	93.9	Very high	94	Very high	33 Å²	33	41.5 Å²	41.5	17%	0.173	22%	0.218	C	C	.	.			trans	-59.3	142.4	-179.5	-67.1	167.2	0	0	0	112.3	R399 V400 K406 Y463 I469	R399-L403 PolarHBondContact O-N 3.41Å; V400-L403 HydrophobicContact CG1-CD1 4.16Å; V400-L403 WeakPolarHBondContact O-CG 3.44Å; V400-L403 PolarHBondContact O-N 2.71Å; L403-K406 HydrophobicContact CB-CG 4.4Å; L403-K406 WeakPolarHBondContact O-CE 3.27Å; L403-K406 WeakPolarHBondContact O-CG 3.46Å; L403-Y463 HydrophobicContact CB-CE1 4.41Å; L403-Y463 VanDerWaalsContact CB-OH 3.3Å; L403-Y463 WeakPolarHBondContact CB-OH 3.37Å; L403-Y463 HydrophobicContact CD1-CE1 3.97Å; L403-I469 HydrophobicContact CD1-CD1 3.39Å; L403-I469 HydrophobicContact CD2-CD1 4.35Å; L403-I469 HydrophobicContact CG-CD1 4.42Å
404	P	91	Very high	94	Very high	86 Å²	86	44.4 Å²	44.4	56%	0.558	23%	0.228	S	C	*	.	S	Bend	trans	-79.9	159.9	-179.7	33.4	-36.1	0	0	0	112.4	K406 Y463	P404-K406 PolarHBondContact O-N 3.43Å; P404-K406 VanDerWaalsContact O-N 3.12Å; P404-Y463 PolarHBondContact O-OH 3.24Å
405	N	89.2	Confident	94	Very high	159 Å²	159	44.8 Å²	44.8	85%	0.85	23%	0.23	S	C	*	.	S	Bend	trans	49.5	40	174.5	-58.7	-35.7	0	0	0	113.5	Y463	N405-Y463 VanDerWaalsContact O-CE2 3.32Å; N405-Y463 WeakPolarHBondContact O-CE2 3.36Å
406	K	88.6	Confident	94	Very high	25 Å²	25	44 Å²	44	11%	0.109	23%	0.23	C	C	.	.			trans	-57.7	144.2	-174.9	-63.9	-159.4	-169.5	-176.2	0	112.2	V400 L401 L403 P404 L410 V411	V400-K406 WeakPolarHBondContact O-CE 3.49Å; V400-K406 PolarHBondContact O-NZ 2.88Å; L401-K406 WeakPolarHBondContact O-CE 3.22Å; L401-K406 PolarHBondContact O-NZ 2.76Å; L403-K406 HydrophobicContact CB-CG 4.4Å; L403-K406 WeakPolarHBondContact O-CE 3.27Å; L403-K406 WeakPolarHBondContact O-CG 3.46Å; P404-K406 PolarHBondContact O-N 3.43Å; P404-K406 VanDerWaalsContact O-N 3.12Å; K406-L410 HydrophobicContact CD-CB 4.36Å; K406-V411 PolarHBondContact NZ-O 3.49Å
407	S	93.4	Very high	93.9	Very high	14 Å²	14	44.6 Å²	44.6	10%	0.098	23%	0.232	C	C	.	.			trans	-46.3	135.7	159.9	175.3	0	0	0	0	109.9	F409 L410	S407-F409 PolarHBondContact O-N 3.38Å; S407-F409 VanDerWaalsContact OG-CD2 3.32Å; S407-F409 WeakPolarHBondContact OG-CD2 3.43Å; S407-F409 PolarHBondContact OG-N 3.14Å; S407-L410 PolarHBondContact O-N 2.89Å
408	P	96.5	Very high	93.8	Very high	27 Å²	27	50.3 Å²	50.3	18%	0.175	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-19.6	177.9	25.6	-33.9	0	0	0	112.4	L410 K488 L618	P408-L410 VanDerWaalsContact C-N 3.33Å; P408-L410 PolarHBondContact O-N 2.96Å; P408-K488 VanDerWaalsContact O-CD 3.23Å; P408-K488 WeakPolarHBondContact O-CD 3.26Å; P408-K488 WeakPolarHBondContact O-CE 3.22Å; P408-K488 PolarHBondContact O-NZ 2.87Å; P408-L618 HydrophobicContact CB-CD1 4.01Å; P408-L618 HydrophobicContact CB-CD2 4.17Å; P408-L618 HydrophobicContact CB-CG 4.25Å; P408-L618 HydrophobicContact CG-CD2 4.16Å; P408-L618 HydrophobicContact CG-CG 4.37Å
409	F	98.2	Very high	93.7	Very high	1 Å²	1	47 Å²	47	0%	0.004	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	7.7	-177.9	-52.6	-58.6	0	0	0	114.9	S407 E456 L459 I487 K488 I489 L615 L618	S407-F409 PolarHBondContact O-N 3.38Å; S407-F409 VanDerWaalsContact OG-CD2 3.32Å; S407-F409 WeakPolarHBondContact OG-CD2 3.43Å; S407-F409 PolarHBondContact OG-N 3.14Å; F409-E456 HydrophobicContact CD1-CB 3.72Å; F409-E456 HydrophobicContact CD1-CG 3.98Å; F409-E456 HydrophobicContact CD2-CB 4.48Å; F409-E456 HydrophobicContact CE1-CB 3.76Å; F409-E456 HydrophobicContact CE1-CG 3.49Å; F409-E456 VanDerWaalsContact CE1-CG 3.49Å; F409-E456 VanDerWaalsContact CE1-OE1 3.31Å; F409-E456 WeakPolarHBondContact CE1-OE1 3.1Å; F409-E456 HydrophobicContact CG-CB 4.1Å; F409-E456 HydrophobicContact CZ-CB 4.17Å; F409-E456 HydrophobicContact CZ-CG 3.82Å; F409-L459 HydrophobicContact CD2-CB 3.65Å; F409-L459 HydrophobicContact CD2-CD1 4.24Å; F409-L459 HydrophobicContact CE2-CB 3.78Å; F409-L459 HydrophobicContact CE2-CD1 3.47Å; F409-L459 VanDerWaalsContact CE2-CD1 3.47Å; F409-L459 HydrophobicContact CE2-CG 4.26Å; F409-L459 HydrophobicContact CZ-CD1 4.19Å; F409-I487 WeakPolarHBondContact CA-O 3.29Å; F409-I487 HydrophobicContact CB-CD1 3.71Å; F409-I487 HydrophobicContact CB-CG1 4.46Å; F409-I487 HydrophobicContact CD1-CD1 4.32Å; F409-I487 HydrophobicContact CD1-CG1 4.16Å; F409-I487 HydrophobicContact CG-CD1 4.33Å; F409-K488 CarbonylContact O-C 3.55Å; F409-K488 WeakPolarHBondContact O-CA 2.93Å; F409-I489 PolarHBondContact O-N 3.01Å; F409-L615 HydrophobicContact CZ-CG 4.48Å; F409-L615 WeakPolarHBondContact CZ-O 3.46Å; F409-L618 HydrophobicContact CD1-CD2 4.44Å; F409-L618 HydrophobicContact CE1-CD2 3.5Å; F409-L618 VanDerWaalsContact CE1-CD2 3.5Å; F409-L618 HydrophobicContact CZ-CD2 3.76Å
410	L	97.9	Very high	93.4	Very high	1 Å²	1	52 Å²	52	1%	0.005	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-115.1	141.1	173.5	-58.3	-177.6	0	0	0	109.7	K406 S407 P408 R412 Y463 L464 I489 F492	K406-L410 HydrophobicContact CD-CB 4.36Å; S407-L410 PolarHBondContact O-N 2.89Å; P408-L410 VanDerWaalsContact C-N 3.33Å; P408-L410 PolarHBondContact O-N 2.96Å; L410-R412 PolarHBondContact O-N 3.07Å; L410-Y463 HydrophobicContact CD1-CD1 3.42Å; L410-Y463 VanDerWaalsContact CD1-CD1 3.42Å; L410-Y463 HydrophobicContact CD1-CE1 3.8Å; L410-Y463 HydrophobicContact CD1-CG 4.3Å; L410-L464 HydrophobicContact CD1-CD2 3.89Å; L410-L464 HydrophobicContact CD1-CG 4.11Å; L410-L464 HydrophobicContact CD2-CD1 4.4Å; L410-I489 HydrophobicContact CD2-CB 3.7Å; L410-I489 HydrophobicContact CD2-CD1 3.83Å; L410-I489 HydrophobicContact CD2-CG1 4.07Å; L410-I489 HydrophobicContact CD2-CG2 4.4Å; L410-F492 HydrophobicContact CB-CZ 4.15Å; L410-F492 HydrophobicContact CD2-CE1 4.16Å; L410-F492 HydrophobicContact CD2-CZ 4.16Å
411	V	96.9	Very high	93.3	Very high	6 Å²	6	55.7 Å²	55.7	4%	0.036	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-58.2	133.8	173	171.6	0	0	0	0	110.8	L401 K406 M427 E428 V430 K488 I489 A490 F492	L401-V411 HydrophobicContact CD2-CG1 4.3Å; K406-V411 PolarHBondContact NZ-O 3.49Å; V411-M427 HydrophobicContact CG1-CB 3.96Å; V411-M427 HydrophobicContact CG1-CG 4.39Å; V411-M427 HydrophobicContact CG1-SD 4.23Å; V411-E428 WeakPolarHBondContact CA-OE1 3.38Å; V411-E428 HydrophobicContact CG1-CG 4.12Å; V411-V430 HydrophobicContact CG2-CG2 4.26Å; V411-K488 HydrophobicContact CG2-CB 3.89Å; V411-I489 WeakPolarHBondContact CG2-O 3.29Å; V411-I489 PolarHBondContact N-O 3.33Å; V411-A490 HydrophobicContact CG2-CB 3.83Å; V411-F492 HydrophobicContact CB-CE2 4.35Å
412	R	93.8	Very high	93.3	Very high	110 Å²	110	58.7 Å²	58.7	42%	0.415	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-94.1	142.9	178.3	-64.9	-175.3	-176.5	114	-3.2	112.1	L410 M427 E428	L410-R412 PolarHBondContact O-N 3.07Å; R412-M427 WeakPolarHBondContact O-CA 3.48Å; R412-E428 HydrophobicContact CB-CG 4.33Å; R412-E428 WeakPolarHBondContact CB-OE1 3.27Å; R412-E428 WeakPolarHBondContact CG-OE1 3.48Å; R412-E428 PolarHBondContact N-OE1 3.1Å; R412-E428 PolarHBondContact O-N 2.9Å
413	L	94.3	Very high	93.3	Very high	38 Å²	38	57.8 Å²	57.8	20%	0.199	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	128.8	169.1	-169.6	69.3	0	0	0	109.2	L401 A402 L425 V426 M427	L401-L413 HydrophobicContact CB-CB 4.03Å; L401-L413 HydrophobicContact CB-CD1 4.33Å; L401-L413 HydrophobicContact CB-CD2 4.25Å; L401-L413 HydrophobicContact CB-CG 4.44Å; L401-L413 HydrophobicContact CD1-CD1 4.31Å; L401-L413 WeakPolarHBondContact O-CB 3.25Å; A402-L413 HydrophobicContact CB-CD2 4.19Å; L413-L425 HydrophobicContact CD1-CB 4.22Å; L413-L425 HydrophobicContact CD1-CD2 4.44Å; L413-V426 WeakPolarHBondContact CD1-O 3.47Å; L413-M427 HydrophobicContact CD1-CG 4.15Å
414	H	91.1	Very high	93.3	Very high	95 Å²	95	57.1 Å²	57.1	44%	0.44	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	-53.3	167.5	173.6	-90.3	0	0	0	110.2	F375 V426	F375-H414 HydrophobicContact CD1-CB 4.05Å; F375-H414 HydrophobicContact CE1-CB 3.79Å; F375-H414 AromaticContact CE1-CD2 3.63Å; F375-H414 AromaticContact CE1-CG 3.62Å; F375-H414 AromaticContact CZ-CD2 3.8Å; H414-V426 HydrophobicContact CB-CB 4.5Å; H414-V426 HydrophobicContact CB-CG1 4.16Å; H414-V426 WeakPolarHBondContact CB-O 3.38Å; H414-V426 PolarHBondContact N-O 3.17Å
415	S	91.8	Very high	93.5	Very high	20 Å²	20	53.5 Å²	53.5	14%	0.14	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	163.3	-177.8	57.2	0	0	0	0	111.3	V426	S415-V426 PolarHBondContact N-O 3.13Å; S415-V426 WeakPolarHBondContact O-CA 3.42Å; S415-V426 WeakPolarHBondContact O-CB 3.44Å; S415-V426 PolarHBondContact O-N 3.33Å; S415-V426 WeakPolarHBondContact OG-CB 3.39Å
416	C	92.6	Very high	93.8	Very high	50 Å²	50	45.9 Å²	45.9	34%	0.338	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	147.9	167.3	60.4	0	0	0	0	110.8	Y424 L425	C416-Y424 CarbonylContact C-O 3.53Å; C416-Y424 WeakPolarHBondContact CA-O 3.33Å; C416-Y424 WeakPolarHBondContact CB-O 3.28Å; C416-L425 HydrophobicContact CB-CD2 3.7Å
417	F	93.3	Very high	94.1	Very high	19 Å²	19	45.6 Å²	45.6	8%	0.083	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	175.3	177	58.3	-93.2	0	0	0	110.3	P344 P346 F349 Y424 V426	P344-F417 HydrophobicContact CB-CD1 3.9Å; P344-F417 HydrophobicContact CB-CE1 4.16Å; P344-F417 VanDerWaalsContact O-CB 3.27Å; P344-F417 WeakPolarHBondContact O-CB 3.27Å; P344-F417 WeakPolarHBondContact O-CD1 3.24Å; P344-F417 WeakPolarHBondContact O-CG 3.34Å; P346-F417 HydrophobicContact CB-CE2 4.3Å; P346-F417 VanDerWaalsContact CD-CE2 3.48Å; P346-F417 HydrophobicContact CG-CD2 4.38Å; P346-F417 HydrophobicContact CG-CE2 3.72Å; F349-F417 HydrophobicContact CD2-CE1 4.27Å; F349-F417 HydrophobicContact CD2-CZ 4.1Å; F349-F417 AromaticContact CE2-CE1 3.6Å; F349-F417 HydrophobicContact CE2-CE1 3.6Å; F349-F417 AromaticContact CE2-CZ 3.91Å; F349-F417 HydrophobicContact CE2-CZ 3.91Å; F349-F417 HydrophobicContact CZ-CE1 4.32Å; F417-Y424 AromaticContact CD2-CD2 3.56Å; F417-Y424 HydrophobicContact CD2-CD2 3.56Å; F417-Y424 HydrophobicContact CD2-CE2 4.34Å; F417-Y424 AromaticContact CD2-CG 3.68Å; F417-Y424 HydrophobicContact CD2-CG 3.68Å; F417-Y424 AromaticContact CE2-CD1 3.59Å; F417-Y424 HydrophobicContact CE2-CD1 3.59Å; F417-Y424 AromaticContact CE2-CD2 3.4Å; F417-Y424 HydrophobicContact CE2-CD2 3.4Å; F417-Y424 HydrophobicContact CE2-CE1 4.19Å; F417-Y424 HydrophobicContact CE2-CE2 4.03Å; F417-Y424 AromaticContact CE2-CG 3.17Å; F417-Y424 HydrophobicContact CE2-CG 3.17Å; F417-Y424 AromaticContact CZ-CD1 3.86Å; F417-Y424 HydrophobicContact CZ-CD1 3.86Å; F417-Y424 HydrophobicContact CZ-CD2 4.35Å; F417-Y424 AromaticContact CZ-CG 3.68Å; F417-Y424 HydrophobicContact CZ-CG 3.68Å; F417-Y424 PolarHBondContact N-O 3.16Å; F417-Y424 PolarHBondContact O-N 2.9Å; F417-V426 HydrophobicContact CD1-CG2 4.14Å; F417-V426 HydrophobicContact CE1-CG2 3.49Å; F417-V426 VanDerWaalsContact CE1-CG2 3.49Å; F417-V426 HydrophobicContact CZ-CG2 4.38Å
418	Q	93	Very high	94.1	Very high	128 Å²	128	47.2 Å²	47.2	60%	0.598	23%	0.233	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-143.2	150.2	-178.7	60.7	177.1	-48.9	0	0	111.5	R422 L423	Q418-R422 CarbonylContact C-O 3.54Å; Q418-R422 VanDerWaalsContact CA-O 3.29Å; Q418-R422 WeakPolarHBondContact CA-O 3.28Å; Q418-R422 WeakPolarHBondContact CB-O 3.26Å; Q418-L423 HydrophobicContact CB-CD2 3.74Å
419	S	91.7	Very high	94.1	Very high	32 Å²	32	47.3 Å²	47.3	22%	0.224	23%	0.23	C	C	.	.			trans	-101.6	-174.3	163.4	62.3	0	0	0	0	109.8	K382 D421 R422	K382-S419 WeakPolarHBondContact CE-O 3.34Å; K382-S419 PolarHBondContact NZ-O 3.15Å; S419-D421 PolarHBondContact O-N 3.18Å; S419-D421 PolarHBondContact OG-N 3.5Å; S419-D421 PolarHBondContact OG-OD1 3.44Å; S419-R422 PolarHBondContact N-O 2.83Å; S419-R422 WeakPolarHBondContact OG-CB 3.49Å; S419-R422 PolarHBondContact OG-N 3.48Å
420	M	89.5	Confident	93.9	Very high	181 Å²	181	47.8 Å²	47.8	89%	0.892	23%	0.233	S	C	*	.	S	Bend	trans	-56.6	-37.5	172.9	-74.1	-64.9	-69.9	0	0	112.4	K382	K382-M420 WeakPolarHBondContact CD-O 3.41Å; K382-M420 PolarHBondContact NZ-O 2.86Å
421	D	93.3	Very high	93.7	Very high	79 Å²	79	48.5 Å²	48.5	42%	0.422	24%	0.237	S	C	.	.	S	Bend	trans	-113	-12.7	-169.8	65.7	-38.3	0	0	0	114.7	K382 S419	K382-D421 WeakPolarHBondContact CB-O 3.49Å; K382-D421 WeakPolarHBondContact CG-O 3.43Å; K382-D421 PolarHBondContact N-O 2.94Å; S419-D421 PolarHBondContact O-N 3.18Å; S419-D421 PolarHBondContact OG-N 3.5Å; S419-D421 PolarHBondContact OG-OD1 3.44Å
422	R	94.7	Very high	93.5	Very high	65 Å²	65	48.5 Å²	48.5	25%	0.245	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	154.6	-170.9	-65.6	159.3	-168.5	-88.5	0.8	114.1	I379 L380 Q418 S419 Y424	I379-R422 HydrophobicContact CG2-CB 4.22Å; I379-R422 HydrophobicContact CG2-CG 4.26Å; L380-R422 CarbonylContact O-C 3.49Å; L380-R422 WeakPolarHBondContact O-CA 3.31Å; L380-R422 WeakPolarHBondContact O-CB 3.22Å; Q418-R422 CarbonylContact C-O 3.54Å; Q418-R422 VanDerWaalsContact CA-O 3.29Å; Q418-R422 WeakPolarHBondContact CA-O 3.28Å; Q418-R422 WeakPolarHBondContact CB-O 3.26Å; S419-R422 PolarHBondContact N-O 2.83Å; S419-R422 WeakPolarHBondContact OG-CB 3.49Å; S419-R422 PolarHBondContact OG-N 3.48Å; R422-Y424 HydrophobicContact CB-CD2 4.36Å; R422-Y424 HydrophobicContact CB-CE2 3.6Å; R422-Y424 WeakPolarHBondContact CD-OH 3.38Å
423	L	93.9	Very high	93.5	Very high	44 Å²	44	43.4 Å²	43.4	23%	0.23	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	142.8	167.6	-56.2	178.3	0	0	0	109.5	I379 L380 K382 I385 A394 Q418	I379-L423 WeakPolarHBondContact CA-O 3.31Å; L380-L423 HydrophobicContact CB-CB 4.33Å; L380-L423 PolarHBondContact N-O 3.49Å; L380-L423 PolarHBondContact O-N 3.24Å; K382-L423 HydrophobicContact CG-CD2 4.45Å; K382-L423 HydrophobicContact CG-CG 4.22Å; I385-L423 HydrophobicContact CD1-CD1 3.93Å; A394-L423 HydrophobicContact CB-CD1 4.48Å; Q418-L423 HydrophobicContact CB-CD2 3.74Å
424	Y	94.8	Very high	93.6	Very high	20 Å²	20	43.6 Å²	43.6	8%	0.078	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	121.1	-178.7	-60.5	-102.7	0	0	0	109.6	P346 F351 V377 K378 I379 C416 F417 R422	P346-Y424 HydrophobicContact CB-CE1 4.38Å; P346-Y424 HydrophobicContact CG-CE1 4.33Å; P346-Y424 HydrophobicContact CG-CE2 4.08Å; F351-Y424 HydrophobicContact CZ-CE1 4.26Å; V377-Y424 HydrophobicContact CG1-CD1 4.01Å; K378-Y424 WeakPolarHBondContact O-CA 3.49Å; I379-Y424 HydrophobicContact CB-CD1 4.44Å; I379-Y424 HydrophobicContact CB-CE1 4.44Å; I379-Y424 HydrophobicContact CD1-CD1 4.18Å; I379-Y424 HydrophobicContact CD1-CE1 3.88Å; I379-Y424 HydrophobicContact CG1-CD1 3.77Å; I379-Y424 HydrophobicContact CG1-CE1 3.89Å; I379-Y424 HydrophobicContact CG2-CD1 4.16Å; I379-Y424 HydrophobicContact CG2-CE1 3.79Å; C416-Y424 CarbonylContact C-O 3.53Å; C416-Y424 WeakPolarHBondContact CA-O 3.33Å; C416-Y424 WeakPolarHBondContact CB-O 3.28Å; F417-Y424 AromaticContact CD2-CD2 3.56Å; F417-Y424 HydrophobicContact CD2-CD2 3.56Å; F417-Y424 HydrophobicContact CD2-CE2 4.34Å; F417-Y424 AromaticContact CD2-CG 3.68Å; F417-Y424 HydrophobicContact CD2-CG 3.68Å; F417-Y424 AromaticContact CE2-CD1 3.59Å; F417-Y424 HydrophobicContact CE2-CD1 3.59Å; F417-Y424 AromaticContact CE2-CD2 3.4Å; F417-Y424 HydrophobicContact CE2-CD2 3.4Å; F417-Y424 HydrophobicContact CE2-CE1 4.19Å; F417-Y424 HydrophobicContact CE2-CE2 4.03Å; F417-Y424 AromaticContact CE2-CG 3.17Å; F417-Y424 HydrophobicContact CE2-CG 3.17Å; F417-Y424 AromaticContact CZ-CD1 3.86Å; F417-Y424 HydrophobicContact CZ-CD1 3.86Å; F417-Y424 HydrophobicContact CZ-CD2 4.35Å; F417-Y424 AromaticContact CZ-CG 3.68Å; F417-Y424 HydrophobicContact CZ-CG 3.68Å; F417-Y424 PolarHBondContact N-O 3.16Å; F417-Y424 PolarHBondContact O-N 2.9Å; R422-Y424 HydrophobicContact CB-CD2 4.36Å; R422-Y424 HydrophobicContact CB-CE2 3.6Å; R422-Y424 WeakPolarHBondContact CD-OH 3.38Å
425	L	94.9	Very high	93.8	Very high	9 Å²	9	39 Å²	39	5%	0.047	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	109	171.3	-56.6	174.2	0	0	0	107.9	V377 K378 E397 R398 L401 L413 C416	V377-L425 CarbonylContact C-O 3.56Å; V377-L425 WeakPolarHBondContact CA-O 3.25Å; K378-L425 HydrophobicContact CB-CB 4.28Å; K378-L425 PolarHBondContact N-O 3.16Å; K378-L425 PolarHBondContact O-N 2.53Å; E397-L425 HydrophobicContact CG-CD1 4.11Å; R398-L425 HydrophobicContact CB-CD2 4.24Å; R398-L425 HydrophobicContact CG-CD2 4.16Å; L401-L425 HydrophobicContact CD1-CD1 4.03Å; L413-L425 HydrophobicContact CD1-CB 4.22Å; L413-L425 HydrophobicContact CD1-CD2 4.44Å; C416-L425 HydrophobicContact CB-CD2 3.7Å
426	V	95	Very high	94	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	112.6	177.8	-173.2	0	0	0	0	108	F349 F375 V377 L413 H414 S415 F417	F349-V426 HydrophobicContact CE1-CG1 4.09Å; F349-V426 HydrophobicContact CE2-CG2 4.39Å; F349-V426 HydrophobicContact CZ-CG1 4.18Å; F349-V426 HydrophobicContact CZ-CG2 3.98Å; F375-V426 HydrophobicContact CB-CG1 3.58Å; F375-V426 HydrophobicContact CD1-CG1 3.83Å; F375-V426 HydrophobicContact CD2-CG1 4.24Å; F375-V426 HydrophobicContact CG-CG1 3.6Å; V377-V426 HydrophobicContact CG1-CG2 4.45Å; V377-V426 HydrophobicContact CG2-CG1 4.33Å; V377-V426 HydrophobicContact CG2-CG2 4.27Å; L413-V426 WeakPolarHBondContact CD1-O 3.47Å; H414-V426 HydrophobicContact CB-CB 4.5Å; H414-V426 HydrophobicContact CB-CG1 4.16Å; H414-V426 WeakPolarHBondContact CB-O 3.38Å; H414-V426 PolarHBondContact N-O 3.17Å; S415-V426 PolarHBondContact N-O 3.13Å; S415-V426 WeakPolarHBondContact O-CA 3.42Å; S415-V426 WeakPolarHBondContact O-CB 3.44Å; S415-V426 PolarHBondContact O-N 3.33Å; S415-V426 WeakPolarHBondContact OG-CB 3.39Å; F417-V426 HydrophobicContact CD1-CG2 4.14Å; F417-V426 HydrophobicContact CE1-CG2 3.49Å; F417-V426 VanDerWaalsContact CE1-CG2 3.49Å; F417-V426 HydrophobicContact CZ-CG2 4.38Å
427	M	95.3	Very high	94	Very high	18 Å²	18	40.8 Å²	40.8	9%	0.089	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	163.1	-173.7	-57.5	172.9	-62.9	0	0	110.5	F375 A376 K378 L401 V411 R412 L413 Y429	F375-M427 WeakPolarHBondContact CA-O 3.26Å; F375-M427 WeakPolarHBondContact CB-O 3.24Å; A376-M427 PolarHBondContact N-O 3.01Å; A376-M427 PolarHBondContact O-N 3.19Å; K378-M427 HydrophobicContact CB-CE 3.71Å; L401-M427 HydrophobicContact CD1-CG 4.32Å; L401-M427 HydrophobicContact CD1-SD 3.76Å; L401-M427 HydrophobicContact CD2-SD 4.23Å; V411-M427 HydrophobicContact CG1-CB 3.96Å; V411-M427 HydrophobicContact CG1-CG 4.39Å; V411-M427 HydrophobicContact CG1-SD 4.23Å; R412-M427 WeakPolarHBondContact O-CA 3.48Å; L413-M427 HydrophobicContact CD1-CG 4.15Å; M427-Y429 PolarHBondContact O-N 3.03Å
428	E	94.6	Very high	94	Very high	48 Å²	48	42.2 Å²	42.2	22%	0.224	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56	139.8	169.9	66.9	-179	136.6	0	0	110.8	V411 R412 V430 K488	V411-E428 WeakPolarHBondContact CA-OE1 3.38Å; V411-E428 HydrophobicContact CG1-CG 4.12Å; R412-E428 HydrophobicContact CB-CG 4.33Å; R412-E428 WeakPolarHBondContact CB-OE1 3.27Å; R412-E428 WeakPolarHBondContact CG-OE1 3.48Å; R412-E428 PolarHBondContact N-OE1 3.1Å; R412-E428 PolarHBondContact O-N 2.9Å; E428-V430 HydrophobicContact CG-CG2 3.99Å; E428-V430 PolarHBondContact O-N 2.62Å; E428-K488 IonicContact OE1-NZ 3.01Å; E428-K488 PolarHBondContact OE1-NZ 3.5Å; E428-K488 IonicContact OE2-NZ 2.7Å; E428-K488 PolarHBondContact OE2-NZ 2.77Å; E428-K488 VanDerWaalsContact OE2-NZ 3.1Å
429	Y	94.7	Very high	94.1	Very high	30 Å²	30	36.4 Å²	36.4	12%	0.118	18%	0.179	C	C	.	.			trans	-85.3	111.3	175.3	175.7	-133.4	0	0	0	110.2	L355 L365 L374 A376 M427 N431 D633 F637	L355-Y429 HydrophobicContact CD1-CD2 3.82Å; L355-Y429 HydrophobicContact CD1-CE2 3.59Å; L355-Y429 HydrophobicContact CD2-CE2 4.02Å; L355-Y429 HydrophobicContact CG-CE2 4.47Å; L365-Y429 HydrophobicContact CD1-CD1 3.6Å; L365-Y429 HydrophobicContact CD1-CD2 3.78Å; L365-Y429 HydrophobicContact CD1-CE1 3.74Å; L365-Y429 HydrophobicContact CD1-CE2 3.93Å; L365-Y429 HydrophobicContact CD1-CG 3.61Å; L365-Y429 HydrophobicContact CD2-CE1 4.1Å; L374-Y429 HydrophobicContact CB-CD1 4.21Å; L374-Y429 HydrophobicContact CD1-CD1 4.46Å; A376-Y429 HydrophobicContact CB-CD2 4.5Å; M427-Y429 PolarHBondContact O-N 3.03Å; Y429-N431 HydrophobicContact CD1-CB 4.12Å; Y429-N431 HydrophobicContact CE1-CB 3.54Å; Y429-N431 HydrophobicContact CE2-CB 4.16Å; Y429-D633 PolarHBondContact OH-O 3.37Å; Y429-F637 AromaticContact CE2-CE2 3.79Å; Y429-F637 HydrophobicContact CE2-CE2 3.79Å; Y429-F637 AromaticContact CE2-CZ 3.54Å; Y429-F637 HydrophobicContact CE2-CZ 3.54Å; Y429-F637 AromaticContact CZ-CE2 3.9Å; Y429-F637 VanDerWaalsContact OH-CE2 3.24Å; Y429-F637 WeakPolarHBondContact OH-CE2 3.36Å
430	V	95.2	Very high	94.2	Very high	10 Å²	10	41.3 Å²	41.3	6%	0.061	20%	0.198	C	C	.	.			trans	-100.8	108.7	179.3	-175.6	0	0	0	0	108.4	V411 E428 L480 L481 D482 K488 F637	V411-V430 HydrophobicContact CG2-CG2 4.26Å; E428-V430 HydrophobicContact CG-CG2 3.99Å; E428-V430 PolarHBondContact O-N 2.62Å; V430-L480 HydrophobicContact CB-CB 4.18Å; V430-L480 HydrophobicContact CB-CD1 4.04Å; V430-L480 HydrophobicContact CG1-CB 3.53Å; V430-L480 HydrophobicContact CG1-CD1 4.32Å; V430-L480 HydrophobicContact CG2-CD1 4.49Å; V430-L481 WeakPolarHBondContact CG1-O 3.16Å; V430-D482 HydrophobicContact CG1-CB 4.46Å; V430-K488 HydrophobicContact CG1-CB 4.17Å; V430-K488 HydrophobicContact CG1-CG 4.03Å; V430-K488 HydrophobicContact CG2-CB 4.11Å; V430-K488 HydrophobicContact CG2-CG 3.92Å; V430-F637 VanDerWaalsContact O-CZ 3.29Å; V430-F637 WeakPolarHBondContact O-CZ 3.23Å
431	N	92.5	Very high	94.4	Very high	17 Å²	17	38.1 Å²	38.1	9%	0.091	18%	0.181	C	C	.	.			trans	-108.2	4	-160.1	64.4	-14	0	0	0	115.9	Y429 G433 S483 I628 N636	Y429-N431 HydrophobicContact CD1-CB 4.12Å; Y429-N431 HydrophobicContact CE1-CB 3.54Å; Y429-N431 HydrophobicContact CE2-CB 4.16Å; N431-G433 VanDerWaalsContact C-N 3.33Å; N431-S483 PolarHBondContact OD1-N 2.97Å; N431-I628 WeakPolarHBondContact ND2-CD1 3.5Å; N431-I628 WeakPolarHBondContact OD1-CD1 3.48Å; N431-N636 PolarHBondContact O-ND2 3.19Å
432	G	93.7	Very high	94.3	Very high	6 Å²	6	37.8 Å²	37.8	6%	0.062	18%	0.177	C	C	.	.	S	Bend	trans	-85.6	2.6	-179.1	0	0	0	0	0	115.1	L481	G432-L481 WeakPolarHBondContact CA-O 3.22Å; G432-L481 PolarHBondContact N-O 3.12Å
433	G	94	Very high	94.4	Very high	3 Å²	3	36.8 Å²	36.8	3%	0.031	19%	0.187	C	C	.	.			trans	80.1	-156.8	-172.9	0	0	0	0	0	111.8	N431 L480 L481 N636	N431-G433 VanDerWaalsContact C-N 3.33Å; G433-L480 CarbonylContact O-C 3.56Å; G433-L480 VanDerWaalsContact O-CA 3.29Å; G433-L480 WeakPolarHBondContact O-CA 3.47Å; G433-L481 PolarHBondContact O-N 3.07Å; G433-N636 WeakPolarHBondContact CA-O 3.37Å
434	D	95.3	Very high	94.5	Very high	41 Å²	41	38.7 Å²	38.7	22%	0.219	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-124.6	164	-179.5	60.3	73.5	0	0	0	112.4	M436 H437 R438 I479 L480	D434-M436 VanDerWaalsContact C-N 3.27Å; D434-M436 PolarHBondContact O-N 3.38Å; D434-M436 WeakPolarHBondContact OD1-CA 3.36Å; D434-M436 VanDerWaalsContact OD1-CB 3.28Å; D434-M436 WeakPolarHBondContact OD1-CB 3.32Å; D434-M436 PolarHBondContact OD1-N 2.65Å; D434-H437 PolarHBondContact OD1-N 2.81Å; D434-R438 PolarHBondContact O-N 2.81Å; D434-I479 CarbonylContact C-O 3.48Å; D434-I479 VanDerWaalsContact CA-O 3.32Å; D434-I479 WeakPolarHBondContact CA-O 3.46Å; D434-L480 HydrophobicContact CB-CD2 3.95Å
435	L	96.6	Very high	94.7	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-68.7	-24.4	180	-69.9	-171.3	0	0	0	113.1	R438 I439 F445 Y453 I457 L476 I479 L481 I487 M541	L435-R438 PolarHBondContact O-N 2.99Å; L435-I439 PolarHBondContact O-N 2.95Å; L435-F445 HydrophobicContact CD2-CE2 4.45Å; L435-Y453 HydrophobicContact CD1-CD2 4.36Å; L435-Y453 HydrophobicContact CD1-CG 4.15Å; L435-Y453 HydrophobicContact CD2-CD1 4.36Å; L435-Y453 HydrophobicContact CD2-CD2 3.92Å; L435-Y453 HydrophobicContact CD2-CE1 4.28Å; L435-Y453 HydrophobicContact CD2-CE2 3.82Å; L435-Y453 HydrophobicContact CD2-CG 4.19Å; L435-I457 HydrophobicContact CD1-CD1 4.42Å; L435-L476 HydrophobicContact CB-CB 4.3Å; L435-L476 HydrophobicContact CB-CD2 3.88Å; L435-L476 HydrophobicContact CD1-CD2 4.24Å; L435-I479 HydrophobicContact CB-CB 4.31Å; L435-I479 HydrophobicContact CD1-CB 3.85Å; L435-I479 HydrophobicContact CD1-CG1 4.47Å; L435-I479 HydrophobicContact CD1-CG2 3.45Å; L435-I479 VanDerWaalsContact CD1-CG2 3.45Å; L435-I479 HydrophobicContact CG-CB 3.96Å; L435-I479 HydrophobicContact CG-CG2 3.77Å; L435-I479 PolarHBondContact N-O 2.75Å; L435-L481 HydrophobicContact CD2-CD1 4.06Å; L435-L481 HydrophobicContact CD2-CD2 3.89Å; L435-L481 HydrophobicContact CD2-CG 4.07Å; L435-I487 HydrophobicContact CD1-CG2 4.27Å; L435-M541 HydrophobicContact CD1-SD 4.44Å
436	M	94.9	Very high	94.7	Very high	27 Å²	27	41.6 Å²	41.6	13%	0.133	21%	0.206	C	C	.	.	H	α-helix	trans	-66.1	-48.9	177.5	178.7	58.4	83.1	0	0	110.1	D434 R438 I439 Q440 L476 D477	D434-M436 VanDerWaalsContact C-N 3.27Å; D434-M436 PolarHBondContact O-N 3.38Å; D434-M436 WeakPolarHBondContact OD1-CA 3.36Å; D434-M436 VanDerWaalsContact OD1-CB 3.28Å; D434-M436 WeakPolarHBondContact OD1-CB 3.32Å; D434-M436 PolarHBondContact OD1-N 2.65Å; M436-R438 PolarHBondContact O-N 2.84Å; M436-I439 VanDerWaalsContact O-CG2 3.24Å; M436-I439 WeakPolarHBondContact O-CG2 3.27Å; M436-I439 PolarHBondContact O-N 3.36Å; M436-I439 HydrophobicContact SD-CG2 4.05Å; M436-Q440 VanDerWaalsContact O-CG 3.26Å; M436-Q440 WeakPolarHBondContact O-CG 3.34Å; M436-Q440 PolarHBondContact O-N 3.2Å; M436-Q440 HydrophobicContact SD-CG 4.33Å; M436-L476 HydrophobicContact CB-CB 3.81Å; M436-L476 HydrophobicContact CE-CB 4.07Å; M436-L476 HydrophobicContact CE-CD1 4.36Å; M436-D477 WeakPolarHBondContact CG-OD1 3.21Å
437	H	93.3	Very high	94.9	Very high	80 Å²	80	43 Å²	43	37%	0.37	21%	0.213	S	C	.	.	H	α-helix	trans	-58.3	-38.4	173.6	-171.7	66.7	0	0	0	111.5	D434 Q441	D434-H437 PolarHBondContact OD1-N 2.81Å; H437-Q441 PolarHBondContact CD2-NE2 3.31Å; H437-Q441 PolarHBondContact NE2-NE2 3.32Å; H437-Q441 WeakPolarHBondContact O-CG 3.36Å; H437-Q441 PolarHBondContact O-N 2.8Å
438	R	93.8	Very high	94.9	Very high	49 Å²	49	42.4 Å²	42.4	19%	0.185	21%	0.21	C	C	.	.	H	α-helix	trans	-67.6	-44.8	179.6	-172.7	64.8	-160.3	160.2	-4	112.7	D434 L435 M436 Q440 Q441 E442 F445	D434-R438 PolarHBondContact O-N 2.81Å; L435-R438 PolarHBondContact O-N 2.99Å; M436-R438 PolarHBondContact O-N 2.84Å; R438-Q440 VanDerWaalsContact C-N 3.33Å; R438-Q440 PolarHBondContact O-N 2.93Å; R438-Q441 PolarHBondContact O-N 2.91Å; R438-E442 IonicContact CZ-OE1 3.71Å; R438-E442 IonicContact NE-OE1 2.76Å; R438-E442 PolarHBondContact NE-OE1 3.1Å; R438-E442 IonicContact NH2-OE1 2.66Å; R438-E442 PolarHBondContact NH2-OE1 3.14Å; R438-E442 PolarHBondContact O-N 3.15Å; R438-F445 HydrophobicContact CB-CE1 4.26Å; R438-F445 HydrophobicContact CB-CZ 4.01Å; R438-F445 HydrophobicContact CG-CE1 3.72Å; R438-F445 HydrophobicContact CG-CZ 3.82Å
439	I	94.7	Very high	95.1	Very high	6 Å²	6	40.6 Å²	40.6	3%	0.031	20%	0.202	C	C	.	.	H	α-helix	trans	-66.8	-36.4	179.2	-161.4	176.7	0	0	0	111.4	L435 M436 Q441 E442 G443 F445 L476 E540	L435-I439 PolarHBondContact O-N 2.95Å; M436-I439 VanDerWaalsContact O-CG2 3.24Å; M436-I439 WeakPolarHBondContact O-CG2 3.27Å; M436-I439 PolarHBondContact O-N 3.36Å; M436-I439 HydrophobicContact SD-CG2 4.05Å; I439-Q441 VanDerWaalsContact C-N 3.27Å; I439-Q441 PolarHBondContact O-N 3.25Å; I439-E442 PolarHBondContact O-N 3.38Å; I439-E442 VanDerWaalsContact O-N 3.16Å; I439-G443 CarbonylContact O-C 3.57Å; I439-G443 WeakPolarHBondContact O-CA 3.19Å; I439-G443 PolarHBondContact O-N 3.11Å; I439-F445 HydrophobicContact CB-CE1 3.91Å; I439-F445 HydrophobicContact CB-CE2 4.46Å; I439-F445 HydrophobicContact CB-CZ 3.81Å; I439-F445 HydrophobicContact CG1-CD1 4.44Å; I439-F445 HydrophobicContact CG1-CE1 4.2Å; I439-F445 HydrophobicContact CG1-CZ 4.36Å; I439-L476 HydrophobicContact CD1-CD1 4.2Å; I439-L476 HydrophobicContact CG2-CD1 3.82Å; I439-E540 HydrophobicContact CD1-CG 4.27Å; I439-E540 WeakPolarHBondContact CD1-O 3.19Å
440	Q	94	Very high	95.3	Very high	134 Å²	134	39.2 Å²	39.2	63%	0.626	20%	0.197	S	C	*	.	H	α-helix	trans	-61.3	-34.4	176.1	-72	171.5	-1.6	0	0	112.6	M436 R438	M436-Q440 VanDerWaalsContact O-CG 3.26Å; M436-Q440 WeakPolarHBondContact O-CG 3.34Å; M436-Q440 PolarHBondContact O-N 3.2Å; M436-Q440 HydrophobicContact SD-CG 4.33Å; R438-Q440 VanDerWaalsContact C-N 3.33Å; R438-Q440 PolarHBondContact O-N 2.93Å
441	Q	92.1	Very high	95.4	Very high	114 Å²	114	38.8 Å²	38.8	53%	0.533	20%	0.195	S	C	.	.	H	α-helix	trans	-72.7	-36.9	174.8	-69.2	179.2	0.2	0	0	113.2	H437 R438 I439	H437-Q441 PolarHBondContact CD2-NE2 3.31Å; H437-Q441 PolarHBondContact NE2-NE2 3.32Å; H437-Q441 WeakPolarHBondContact O-CG 3.36Å; H437-Q441 PolarHBondContact O-N 2.8Å; R438-Q441 PolarHBondContact O-N 2.91Å; I439-Q441 VanDerWaalsContact C-N 3.27Å; I439-Q441 PolarHBondContact O-N 3.25Å
442	E	92.9	Very high	95.7	Very high	72 Å²	72	38.5 Å²	38.5	34%	0.336	19%	0.193	S	C	.	.	H	α-helix	trans	-89.7	-17.6	-177.3	-67.5	-168	-160.4	0	0	113.5	R438 I439 K444 F445	R438-E442 IonicContact CZ-OE1 3.71Å; R438-E442 IonicContact NE-OE1 2.76Å; R438-E442 PolarHBondContact NE-OE1 3.1Å; R438-E442 IonicContact NH2-OE1 2.66Å; R438-E442 PolarHBondContact NH2-OE1 3.14Å; R438-E442 PolarHBondContact O-N 3.15Å; I439-E442 PolarHBondContact O-N 3.38Å; I439-E442 VanDerWaalsContact O-N 3.16Å; E442-K444 PolarHBondContact O-N 2.79Å; E442-F445 HydrophobicContact CB-CD1 4.37Å; E442-F445 HydrophobicContact CB-CE1 4.48Å; E442-F445 HydrophobicContact CG-CE1 4.5Å; E442-F445 WeakPolarHBondContact OE2-CD1 3.27Å
443	G	96.1	Very high	95.9	Very high	45 Å²	45	38.3 Å²	38.3	46%	0.464	19%	0.19	S	C	.	.	S	Bend	trans	75.4	-42.6	-167.4	0	0	0	0	0	113.1	I439 G544	I439-G443 CarbonylContact O-C 3.57Å; I439-G443 WeakPolarHBondContact O-CA 3.19Å; I439-G443 PolarHBondContact O-N 3.11Å; G443-G544 WeakPolarHBondContact O-CA 3.37Å
444	K	96.5	Very high	96.1	Very high	84 Å²	84	38.1 Å²	38.1	37%	0.365	19%	0.188	S	C	.	.	S	Bend	trans	-160.7	158.5	171.5	66.7	-176.9	-177.1	-175.8	0	110.1	E442 H570	E442-K444 PolarHBondContact O-N 2.79Å; K444-H570 PolarHBondContact NZ-CD2 3.17Å; K444-H570 PolarHBondContact NZ-CE1 3.05Å; K444-H570 VanDerWaalsContact NZ-CG 3.31Å; K444-H570 PolarHBondContact NZ-ND1 3.28Å; K444-H570 PolarHBondContact NZ-NE2 3.45Å; K444-H570 VanDerWaalsContact NZ-NE2 3.17Å
445	F	97.6	Very high	96.3	Very high	5 Å²	5	36.2 Å²	36.2	2%	0.022	18%	0.178	C	C	.	.			trans	-84.2	146.2	174	-62.4	-21.9	0	0	0	112.1	L435 R438 I439 E442 V449 A450 Y453 M541	L435-F445 HydrophobicContact CD2-CE2 4.45Å; R438-F445 HydrophobicContact CB-CE1 4.26Å; R438-F445 HydrophobicContact CB-CZ 4.01Å; R438-F445 HydrophobicContact CG-CE1 3.72Å; R438-F445 HydrophobicContact CG-CZ 3.82Å; I439-F445 HydrophobicContact CB-CE1 3.91Å; I439-F445 HydrophobicContact CB-CE2 4.46Å; I439-F445 HydrophobicContact CB-CZ 3.81Å; I439-F445 HydrophobicContact CG1-CD1 4.44Å; I439-F445 HydrophobicContact CG1-CE1 4.2Å; I439-F445 HydrophobicContact CG1-CZ 4.36Å; E442-F445 HydrophobicContact CB-CD1 4.37Å; E442-F445 HydrophobicContact CB-CE1 4.48Å; E442-F445 HydrophobicContact CG-CE1 4.5Å; E442-F445 WeakPolarHBondContact OE2-CD1 3.27Å; F445-V449 HydrophobicContact CB-CB 4.11Å; F445-V449 HydrophobicContact CB-CG1 4.06Å; F445-V449 HydrophobicContact CD1-CG1 4.38Å; F445-V449 HydrophobicContact CD2-CG1 4.2Å; F445-V449 HydrophobicContact CG-CG1 3.96Å; F445-A450 HydrophobicContact CB-CB 4.4Å; F445-Y453 HydrophobicContact CD2-CD2 4.35Å; F445-Y453 HydrophobicContact CE2-CD2 4.15Å; F445-Y453 HydrophobicContact CE2-CE2 4.4Å; F445-M541 WeakPolarHBondContact CB-O 3.17Å; F445-M541 HydrophobicContact CD2-CB 3.83Å; F445-M541 HydrophobicContact CD2-CG 3.66Å; F445-M541 HydrophobicContact CD2-SD 3.77Å; F445-M541 HydrophobicContact CE2-CB 4.49Å; F445-M541 HydrophobicContact CE2-CG 3.86Å; F445-M541 HydrophobicContact CE2-SD 3.89Å; F445-M541 PolarHBondContact N-O 2.85Å
446	K	96.7	Very high	96.4	Very high	85 Å²	85	36.2 Å²	36.2	37%	0.37	18%	0.178	S	C	.	.			trans	-62.6	151.6	162.6	-67.7	176.8	173.1	175.8	0	109.3	E289 E292 F293 V449 A450	E289-K446 HydrophobicContact CG-CB 4.38Å; E289-K446 HydrophobicContact CG-CD 4.27Å; E292-K446 IonicContact OE1-NZ 3.61Å; E292-K446 IonicContact OE2-NZ 2.9Å; E292-K446 PolarHBondContact OE2-NZ 2.8Å; F293-K446 HydrophobicContact CE2-CD 3.93Å; F293-K446 HydrophobicContact CZ-CD 4.13Å; K446-V449 HydrophobicContact CB-CG2 4.21Å; K446-V449 WeakPolarHBondContact O-CB 3.48Å; K446-V449 PolarHBondContact O-N 3.17Å; K446-A450 PolarHBondContact O-N 3.4Å; K446-A450 VanDerWaalsContact O-N 3.1Å
447	E	97.6	Very high	96.6	Very high	29 Å²	29	34.9 Å²	34.9	14%	0.136	17%	0.171	C	C	.	.	H	α-helix	trans	-57.1	-45.3	-175.4	174.3	169.4	138.1	0	0	112.9	E289 V449 A450 V451 L542 S572 F606 R608	E289-E447 PolarHBondContact OE1-N 3.41Å; E289-E447 VanDerWaalsContact OE1-N 3.15Å; E447-V449 PolarHBondContact O-N 2.87Å; E447-A450 PolarHBondContact O-N 2.87Å; E447-A450 VanDerWaalsContact O-N 3.16Å; E447-V451 HydrophobicContact CG-CG2 3.98Å; E447-V451 WeakPolarHBondContact O-CB 3.41Å; E447-V451 WeakPolarHBondContact O-CG2 3.45Å; E447-V451 PolarHBondContact O-N 3.08Å; E447-L542 HydrophobicContact CB-CD2 4.25Å; E447-S572 VanDerWaalsContact CD-OG 3.23Å; E447-S572 PolarHBondContact OE1-OG 3.42Å; E447-S572 WeakPolarHBondContact OE2-CB 3.45Å; E447-S572 PolarHBondContact OE2-OG 3.03Å; E447-F606 HydrophobicContact CG-CE2 3.81Å; E447-F606 HydrophobicContact CG-CZ 4.43Å; E447-R608 IonicContact OE1-NH1 2.64Å
448	P	97	Very high	96.8	Very high	6 Å²	6	31.1 Å²	31.1	4%	0.039	15%	0.154	C	C	.	.	H	α-helix	trans	-57.6	-32.4	176.8	-28.4	37.5	0	0	0	114.8	E289 F293 Y294 F452	E289-P448 HydrophobicContact CG-CG 4.36Å; E289-P448 VanDerWaalsContact OE1-CD 3.31Å; E289-P448 WeakPolarHBondContact OE1-CD 3.17Å; F293-P448 HydrophobicContact CB-CB 3.69Å; F293-P448 HydrophobicContact CB-CG 4.29Å; F293-P448 HydrophobicContact CD1-CB 4.11Å; F293-P448 HydrophobicContact CD2-CB 3.55Å; F293-P448 HydrophobicContact CD2-CG 3.68Å; F293-P448 HydrophobicContact CE2-CB 4.21Å; F293-P448 HydrophobicContact CE2-CG 4.29Å; F293-P448 HydrophobicContact CG-CB 3.5Å; F293-P448 VanDerWaalsContact CG-CB 3.5Å; F293-P448 HydrophobicContact CG-CG 4.11Å; Y294-P448 HydrophobicContact CE2-CB 3.84Å; Y294-P448 HydrophobicContact CE2-CG 3.76Å; Y294-P448 VanDerWaalsContact OH-CA 3.31Å; Y294-P448 WeakPolarHBondContact OH-CA 3.36Å; Y294-P448 WeakPolarHBondContact OH-CB 3.38Å; P448-F452 WeakPolarHBondContact O-CB 3.32Å; P448-F452 PolarHBondContact O-N 3.39Å; P448-F452 VanDerWaalsContact O-N 3.11Å
449	V	97.6	Very high	97.1	Very high	10 Å²	10	29.5 Å²	29.5	6%	0.061	15%	0.149	C	C	.	.	H	α-helix	trans	-71.9	-46.4	178	-179.9	0	0	0	0	110	F293 F445 K446 E447 V451 F452 Y453 P623	F293-V449 HydrophobicContact CE1-CG2 3.66Å; F293-V449 HydrophobicContact CZ-CG2 3.69Å; F445-V449 HydrophobicContact CB-CB 4.11Å; F445-V449 HydrophobicContact CB-CG1 4.06Å; F445-V449 HydrophobicContact CD1-CG1 4.38Å; F445-V449 HydrophobicContact CD2-CG1 4.2Å; F445-V449 HydrophobicContact CG-CG1 3.96Å; K446-V449 HydrophobicContact CB-CG2 4.21Å; K446-V449 WeakPolarHBondContact O-CB 3.48Å; K446-V449 PolarHBondContact O-N 3.17Å; E447-V449 PolarHBondContact O-N 2.87Å; V449-V451 VanDerWaalsContact C-N 3.35Å; V449-V451 PolarHBondContact O-N 3.4Å; V449-F452 PolarHBondContact O-N 2.97Å; V449-Y453 HydrophobicContact CG1-CD2 3.8Å; V449-Y453 HydrophobicContact CG1-CE2 3.51Å; V449-Y453 WeakPolarHBondContact O-CD2 3.41Å; V449-Y453 PolarHBondContact O-N 3.08Å; V449-Y453 VanDerWaalsContact O-N 3.12Å; V449-P623 HydrophobicContact CB-CB 4.45Å; V449-P623 HydrophobicContact CB-CG 4.42Å; V449-P623 HydrophobicContact CG1-CB 4.33Å; V449-P623 HydrophobicContact CG1-CG 3.95Å; V449-P623 HydrophobicContact CG2-CB 3.89Å; V449-P623 HydrophobicContact CG2-CG 4.38Å
450	A	98.3	Very high	97.2	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-62.1	-41.1	175.3	0	0	0	0	0	112	F445 K446 E447 F452 S454 M541 L542 F606	F445-A450 HydrophobicContact CB-CB 4.4Å; K446-A450 PolarHBondContact O-N 3.4Å; K446-A450 VanDerWaalsContact O-N 3.1Å; E447-A450 PolarHBondContact O-N 2.87Å; E447-A450 VanDerWaalsContact O-N 3.16Å; A450-F452 VanDerWaalsContact C-N 3.34Å; A450-F452 PolarHBondContact O-N 3.17Å; A450-S454 VanDerWaalsContact O-CB 3.23Å; A450-S454 WeakPolarHBondContact O-CB 3.49Å; A450-S454 PolarHBondContact O-N 2.82Å; A450-S454 PolarHBondContact O-OG 3.15Å; A450-M541 HydrophobicContact CB-CB 4.02Å; A450-M541 HydrophobicContact CB-CE 4.3Å; A450-L542 HydrophobicContact CB-CD2 3.55Å; A450-L542 HydrophobicContact CB-CG 3.93Å; A450-F606 HydrophobicContact CB-CZ 4.45Å
451	V	98.4	Very high	97.4	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.012	12%	0.118	C	C	.	.	H	α-helix	trans	-58.6	-44.8	175.4	171.3	0	0	0	0	111.3	E447 V449 A455 F606 Y607 I610	E447-V451 HydrophobicContact CG-CG2 3.98Å; E447-V451 WeakPolarHBondContact O-CB 3.41Å; E447-V451 WeakPolarHBondContact O-CG2 3.45Å; E447-V451 PolarHBondContact O-N 3.08Å; V449-V451 VanDerWaalsContact C-N 3.35Å; V449-V451 PolarHBondContact O-N 3.4Å; V451-A455 VanDerWaalsContact O-CB 3.22Å; V451-A455 WeakPolarHBondContact O-CB 3.45Å; V451-A455 PolarHBondContact O-N 3.44Å; V451-A455 VanDerWaalsContact O-N 3.1Å; V451-F606 HydrophobicContact CB-CE1 4.12Å; V451-F606 HydrophobicContact CB-CZ 4.36Å; V451-F606 HydrophobicContact CG2-CD1 3.82Å; V451-F606 HydrophobicContact CG2-CD2 4.09Å; V451-F606 HydrophobicContact CG2-CE1 3.45Å; V451-F606 VanDerWaalsContact CG2-CE1 3.45Å; V451-F606 HydrophobicContact CG2-CE2 3.72Å; V451-F606 HydrophobicContact CG2-CG 4.16Å; V451-F606 HydrophobicContact CG2-CZ 3.39Å; V451-Y607 HydrophobicContact CG1-CD1 3.99Å; V451-I610 HydrophobicContact CG1-CD1 3.86Å; V451-I610 HydrophobicContact CG1-CG1 3.57Å
452	F	98.2	Very high	97.6	Very high	11 Å²	11	17.8 Å²	17.8	5%	0.048	9%	0.094	C	C	.	.	H	α-helix	trans	-62.2	-57.4	179.5	177.9	-91.3	0	0	0	111.1	P448 V449 A450 S454 A455 E456 H486 L615 I620 P622 P623	P448-F452 WeakPolarHBondContact O-CB 3.32Å; P448-F452 PolarHBondContact O-N 3.39Å; P448-F452 VanDerWaalsContact O-N 3.11Å; V449-F452 PolarHBondContact O-N 2.97Å; A450-F452 VanDerWaalsContact C-N 3.34Å; A450-F452 PolarHBondContact O-N 3.17Å; F452-S454 PolarHBondContact O-N 2.94Å; F452-A455 PolarHBondContact O-N 3.07Å; F452-E456 HydrophobicContact CE1-CG 4.41Å; F452-E456 WeakPolarHBondContact CE1-OE1 3.01Å; F452-E456 WeakPolarHBondContact CZ-OE1 3.45Å; F452-E456 PolarHBondContact O-N 2.95Å; F452-H486 AromaticContact CZ-CE1 3.91Å; F452-H486 AromaticContact CZ-ND1 3.7Å; F452-L615 HydrophobicContact CD2-CD1 4.03Å; F452-L615 HydrophobicContact CE2-CD1 3.65Å; F452-L615 HydrophobicContact CZ-CD1 4.26Å; F452-I620 HydrophobicContact CD2-CG2 4.16Å; F452-I620 HydrophobicContact CE2-CB 4.24Å; F452-I620 HydrophobicContact CE2-CG2 3.86Å; F452-P622 HydrophobicContact CE1-CB 4.1Å; F452-P622 HydrophobicContact CE1-CG 4.46Å; F452-P622 HydrophobicContact CZ-CB 4.01Å; F452-P622 HydrophobicContact CZ-CG 4Å; F452-P623 HydrophobicContact CB-CG 4.37Å; F452-P623 HydrophobicContact CD1-CG 3.89Å; F452-P623 HydrophobicContact CE1-CG 4.5Å; F452-P623 HydrophobicContact CG-CG 4.21Å
453	Y	98.7	Very high	97.9	Very high	1 Å²	1	15.6 Å²	15.6	0%	0.004	8%	0.083	C	C	.	.	H	α-helix	trans	-65.8	-40.5	-176.5	-67.4	-46	0	0	0	112.7	L435 F445 V449 A455 E456 I457 L481 G485 I487 P623	L435-Y453 HydrophobicContact CD1-CD2 4.36Å; L435-Y453 HydrophobicContact CD1-CG 4.15Å; L435-Y453 HydrophobicContact CD2-CD1 4.36Å; L435-Y453 HydrophobicContact CD2-CD2 3.92Å; L435-Y453 HydrophobicContact CD2-CE1 4.28Å; L435-Y453 HydrophobicContact CD2-CE2 3.82Å; L435-Y453 HydrophobicContact CD2-CG 4.19Å; F445-Y453 HydrophobicContact CD2-CD2 4.35Å; F445-Y453 HydrophobicContact CE2-CD2 4.15Å; F445-Y453 HydrophobicContact CE2-CE2 4.4Å; V449-Y453 HydrophobicContact CG1-CD2 3.8Å; V449-Y453 HydrophobicContact CG1-CE2 3.51Å; V449-Y453 WeakPolarHBondContact O-CD2 3.41Å; V449-Y453 PolarHBondContact O-N 3.08Å; V449-Y453 VanDerWaalsContact O-N 3.12Å; Y453-A455 VanDerWaalsContact C-N 3.28Å; Y453-A455 PolarHBondContact O-N 2.87Å; Y453-E456 PolarHBondContact O-N 2.81Å; Y453-I457 WeakPolarHBondContact O-CD1 3.33Å; Y453-I457 VanDerWaalsContact O-CG1 3.24Å; Y453-I457 WeakPolarHBondContact O-CG1 3.49Å; Y453-I457 PolarHBondContact O-N 2.98Å; Y453-L481 HydrophobicContact CE1-CD2 3.7Å; Y453-G485 WeakPolarHBondContact CE1-O 3.3Å; Y453-I487 HydrophobicContact CD1-CG2 3.4Å; Y453-I487 VanDerWaalsContact CD1-CG2 3.4Å; Y453-I487 HydrophobicContact CE1-CG2 3.94Å; Y453-I487 HydrophobicContact CG-CG2 4.22Å; Y453-P623 HydrophobicContact CE1-CG 4.44Å; Y453-P623 HydrophobicContact CE2-CG 4.18Å
454	S	98.7	Very high	97.9	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-67.2	-30.4	178	74.8	0	0	0	0	112.5	A450 F452 A458 F534 Y607	A450-S454 VanDerWaalsContact O-CB 3.23Å; A450-S454 WeakPolarHBondContact O-CB 3.49Å; A450-S454 PolarHBondContact O-N 2.82Å; A450-S454 PolarHBondContact O-OG 3.15Å; F452-S454 PolarHBondContact O-N 2.94Å; S454-A458 WeakPolarHBondContact O-CB 3.28Å; S454-A458 PolarHBondContact O-N 2.86Å; S454-F534 VanDerWaalsContact O-CE2 3.23Å; S454-F534 WeakPolarHBondContact O-CE2 3.3Å; S454-F534 VanDerWaalsContact O-CZ 3.28Å; S454-F534 WeakPolarHBondContact O-CZ 3.46Å; S454-Y607 WeakPolarHBondContact CB-OH 3.3Å; S454-Y607 WeakPolarHBondContact OG-CE1 3.12Å; S454-Y607 PolarHBondContact OG-OH 2.94Å
455	A	98.7	Very high	97.9	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-67.9	-40.8	174.1	0	0	0	0	0	112.1	V451 F452 Y453 A458 L459 Y607 I610 W612 L615	V451-A455 VanDerWaalsContact O-CB 3.22Å; V451-A455 WeakPolarHBondContact O-CB 3.45Å; V451-A455 PolarHBondContact O-N 3.44Å; V451-A455 VanDerWaalsContact O-N 3.1Å; F452-A455 PolarHBondContact O-N 3.07Å; Y453-A455 VanDerWaalsContact C-N 3.28Å; Y453-A455 PolarHBondContact O-N 2.87Å; A455-A458 PolarHBondContact O-N 2.94Å; A455-L459 PolarHBondContact O-N 3.32Å; A455-L459 VanDerWaalsContact O-N 3.07Å; A455-Y607 HydrophobicContact CB-CD1 3.95Å; A455-Y607 HydrophobicContact CB-CE1 3.86Å; A455-I610 HydrophobicContact CB-CG1 4.41Å; A455-I610 HydrophobicContact CB-CG2 4.32Å; A455-W612 HydrophobicContact CB-CH2 3.79Å; A455-W612 HydrophobicContact CB-CZ2 4.46Å; A455-W612 HydrophobicContact CB-CZ3 3.87Å; A455-W612 WeakPolarHBondContact O-CZ3 3.41Å; A455-L615 HydrophobicContact CB-CD2 3.4Å
456	E	98.7	Very high	97.8	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-65.4	-44	175.1	-65.6	-167.5	153.9	0	0	112.2	F409 F452 Y453 A458 L459 G460 H486 I487 L615	F409-E456 HydrophobicContact CD1-CB 3.72Å; F409-E456 HydrophobicContact CD1-CG 3.98Å; F409-E456 HydrophobicContact CD2-CB 4.48Å; F409-E456 HydrophobicContact CE1-CB 3.76Å; F409-E456 HydrophobicContact CE1-CG 3.49Å; F409-E456 VanDerWaalsContact CE1-CG 3.49Å; F409-E456 VanDerWaalsContact CE1-OE1 3.31Å; F409-E456 WeakPolarHBondContact CE1-OE1 3.1Å; F409-E456 HydrophobicContact CG-CB 4.1Å; F409-E456 HydrophobicContact CZ-CB 4.17Å; F409-E456 HydrophobicContact CZ-CG 3.82Å; F452-E456 HydrophobicContact CE1-CG 4.41Å; F452-E456 WeakPolarHBondContact CE1-OE1 3.01Å; F452-E456 WeakPolarHBondContact CZ-OE1 3.45Å; F452-E456 PolarHBondContact O-N 2.95Å; Y453-E456 PolarHBondContact O-N 2.81Å; E456-A458 VanDerWaalsContact C-N 3.3Å; E456-A458 PolarHBondContact O-N 3.3Å; E456-L459 WeakPolarHBondContact O-CB 3.48Å; E456-L459 PolarHBondContact O-N 3.13Å; E456-L459 VanDerWaalsContact O-N 3.15Å; E456-G460 PolarHBondContact O-N 3.32Å; E456-H486 IonicContact OE1-CE1 2.78Å; E456-H486 IonicContact OE1-CG 3.07Å; E456-H486 IonicContact OE1-ND1 2.78Å; E456-H486 PolarHBondContact OE1-ND1 2.77Å; E456-I487 HydrophobicContact CB-CD1 4.12Å; E456-I487 HydrophobicContact CB-CG1 3.41Å; E456-I487 VanDerWaalsContact CB-CG1 3.41Å; E456-I487 HydrophobicContact CG-CG1 4.41Å; E456-I487 VanDerWaalsContact OE2-CG1 3.29Å; E456-I487 WeakPolarHBondContact OE2-CG1 3.13Å; E456-I487 PolarHBondContact OE2-N 3.06Å; E456-L615 HydrophobicContact CG-CD1 3.79Å; E456-L615 HydrophobicContact CG-CD2 4.07Å; E456-L615 HydrophobicContact CG-CG 4.05Å
457	I	98.7	Very high	97.8	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-58.6	-44.4	174.6	-66.2	164.8	0	0	0	110.1	L435 Y453 L459 G460 L461 L474 I479 I487 I489 F534 L537	L435-I457 HydrophobicContact CD1-CD1 4.42Å; Y453-I457 WeakPolarHBondContact O-CD1 3.33Å; Y453-I457 VanDerWaalsContact O-CG1 3.24Å; Y453-I457 WeakPolarHBondContact O-CG1 3.49Å; Y453-I457 PolarHBondContact O-N 2.98Å; I457-L459 VanDerWaalsContact C-N 3.32Å; I457-L459 PolarHBondContact O-N 2.84Å; I457-G460 WeakPolarHBondContact O-CA 3.34Å; I457-G460 PolarHBondContact O-N 3.19Å; I457-G460 VanDerWaalsContact O-N 3.09Å; I457-L461 HydrophobicContact CG2-CD1 4.27Å; I457-L461 HydrophobicContact CG2-CG 4.43Å; I457-L461 PolarHBondContact O-N 3.12Å; I457-L474 HydrophobicContact CG2-CD1 3.97Å; I457-L474 HydrophobicContact CG2-CD2 4.14Å; I457-I479 HydrophobicContact CD1-CD1 4.2Å; I457-I479 HydrophobicContact CD1-CG1 4.05Å; I457-I479 HydrophobicContact CD1-CG2 4.14Å; I457-I479 HydrophobicContact CG1-CD1 4.14Å; I457-I479 HydrophobicContact CG1-CG1 4.45Å; I457-I479 HydrophobicContact CG1-CG2 4.18Å; I457-I487 HydrophobicContact CG1-CD1 3.96Å; I457-I487 HydrophobicContact CG1-CG1 4.27Å; I457-I489 HydrophobicContact CG2-CD1 4.37Å; I457-F534 HydrophobicContact CB-CD2 4.5Å; I457-F534 HydrophobicContact CB-CE2 4.06Å; I457-F534 HydrophobicContact CG2-CD2 3.77Å; I457-F534 HydrophobicContact CG2-CE2 3.82Å; I457-L537 HydrophobicContact CD1-CD1 4.17Å; I457-L537 HydrophobicContact CD1-CD2 3.73Å
458	A	98.6	Very high	97.7	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-59.8	-40.7	177	0	0	0	0	0	112.1	S454 A455 E456 G460 L461 F462 W531 F534 I601 W612	S454-A458 WeakPolarHBondContact O-CB 3.28Å; S454-A458 PolarHBondContact O-N 2.86Å; A455-A458 PolarHBondContact O-N 2.94Å; E456-A458 VanDerWaalsContact C-N 3.3Å; E456-A458 PolarHBondContact O-N 3.3Å; A458-G460 VanDerWaalsContact C-N 3.32Å; A458-G460 PolarHBondContact O-N 2.8Å; A458-L461 PolarHBondContact O-N 3.03Å; A458-F462 HydrophobicContact CB-CE2 4.01Å; A458-F462 HydrophobicContact CB-CZ 4.12Å; A458-F462 WeakPolarHBondContact O-CD2 3.23Å; A458-F462 WeakPolarHBondContact O-CG 3.18Å; A458-F462 PolarHBondContact O-N 3.25Å; A458-W531 HydrophobicContact CB-CH2 4.47Å; A458-F534 HydrophobicContact CB-CE2 4.16Å; A458-F534 HydrophobicContact CB-CZ 4.03Å; A458-I601 HydrophobicContact CB-CG2 4.41Å; A458-W612 HydrophobicContact CB-CH2 4.32Å; A458-W612 HydrophobicContact CB-CZ3 4.34Å
459	L	98.3	Very high	97.8	Very high	15 Å²	15	12.5 Å²	12.5	8%	0.079	6%	0.062	C	C	.	.	H	α-helix	trans	-62.5	-37.9	174.1	-71.9	170.8	0	0	0	112.3	F409 A455 E456 I457 F462 Y463 W612 L615	F409-L459 HydrophobicContact CD2-CB 3.65Å; F409-L459 HydrophobicContact CD2-CD1 4.24Å; F409-L459 HydrophobicContact CE2-CB 3.78Å; F409-L459 HydrophobicContact CE2-CD1 3.47Å; F409-L459 VanDerWaalsContact CE2-CD1 3.47Å; F409-L459 HydrophobicContact CE2-CG 4.26Å; F409-L459 HydrophobicContact CZ-CD1 4.19Å; A455-L459 PolarHBondContact O-N 3.32Å; A455-L459 VanDerWaalsContact O-N 3.07Å; E456-L459 WeakPolarHBondContact O-CB 3.48Å; E456-L459 PolarHBondContact O-N 3.13Å; E456-L459 VanDerWaalsContact O-N 3.15Å; I457-L459 VanDerWaalsContact C-N 3.32Å; I457-L459 PolarHBondContact O-N 2.84Å; L459-F462 HydrophobicContact CD2-CD2 4.29Å; L459-Y463 PolarHBondContact O-N 3.33Å; L459-W612 HydrophobicContact CD1-CE3 4.21Å; L459-W612 HydrophobicContact CD2-CE3 3.94Å; L459-W612 HydrophobicContact CD2-CZ3 4.32Å; L459-W612 HydrophobicContact CG-CE3 3.96Å; L459-W612 HydrophobicContact CG-CZ3 4.02Å; L459-L615 HydrophobicContact CD1-CB 4.38Å; L459-L615 HydrophobicContact CD1-CD2 3.91Å; L459-L615 HydrophobicContact CD1-CG 4.08Å
460	G	98	Very high	97.8	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-61.6	-47.4	171.2	0	0	0	0	0	112.8	E456 I457 A458 Y463 L464	E456-G460 PolarHBondContact O-N 3.32Å; I457-G460 WeakPolarHBondContact O-CA 3.34Å; I457-G460 PolarHBondContact O-N 3.19Å; I457-G460 VanDerWaalsContact O-N 3.09Å; A458-G460 VanDerWaalsContact C-N 3.32Å; A458-G460 PolarHBondContact O-N 2.8Å; G460-Y463 WeakPolarHBondContact O-CB 3.4Å; G460-Y463 PolarHBondContact O-N 3.06Å; G460-L464 PolarHBondContact O-N 3.39Å; G460-L464 VanDerWaalsContact O-N 3.16Å
461	L	98.2	Very high	97.8	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-65.6	-42.4	178.6	-68.1	178.1	0	0	0	112.6	I457 A458 Y463 L464 H465 L474 D530 W531 F534	I457-L461 HydrophobicContact CG2-CD1 4.27Å; I457-L461 HydrophobicContact CG2-CG 4.43Å; I457-L461 PolarHBondContact O-N 3.12Å; A458-L461 PolarHBondContact O-N 3.03Å; L461-Y463 VanDerWaalsContact C-N 3.27Å; L461-Y463 PolarHBondContact O-N 3.45Å; L461-L464 PolarHBondContact O-N 3.22Å; L461-L464 VanDerWaalsContact O-N 3.17Å; L461-H465 WeakPolarHBondContact O-CB 3.36Å; L461-H465 PolarHBondContact O-CD2 2.72Å; L461-H465 VanDerWaalsContact O-CG 3.24Å; L461-H465 PolarHBondContact O-N 3.46Å; L461-L474 HydrophobicContact CD1-CD2 4.03Å; L461-L474 HydrophobicContact CD2-CD1 4.46Å; L461-D530 HydrophobicContact CD2-CB 4.25Å; L461-W531 HydrophobicContact CB-CH2 4.37Å; L461-W531 HydrophobicContact CD1-CH2 4.43Å; L461-W531 HydrophobicContact CD1-CZ3 4.25Å; L461-F534 HydrophobicContact CD1-CB 4.26Å; L461-F534 HydrophobicContact CD1-CD2 3.95Å; L461-F534 HydrophobicContact CD1-CG 4.35Å
462	F	97.1	Very high	97.7	Very high	8 Å²	8	13 Å²	13	4%	0.035	6%	0.062	C	C	.	.	H	α-helix	trans	-57.4	-43.4	175.6	-63	-36.8	0	0	0	111.2	A458 L459 H465 N466 W531 E598 I601 R602 W612	A458-F462 HydrophobicContact CB-CE2 4.01Å; A458-F462 HydrophobicContact CB-CZ 4.12Å; A458-F462 WeakPolarHBondContact O-CD2 3.23Å; A458-F462 WeakPolarHBondContact O-CG 3.18Å; A458-F462 PolarHBondContact O-N 3.25Å; L459-F462 HydrophobicContact CD2-CD2 4.29Å; F462-H465 PolarHBondContact O-N 3.1Å; F462-N466 VanDerWaalsContact O-CB 3.23Å; F462-N466 WeakPolarHBondContact O-CB 3.31Å; F462-N466 PolarHBondContact O-N 3.39Å; F462-N466 PolarHBondContact O-ND2 2.89Å; F462-N466 VanDerWaalsContact O-ND2 3.17Å; F462-W531 AromaticContact CD1-CH2 3.83Å; F462-W531 HydrophobicContact CD1-CH2 3.83Å; F462-W531 AromaticContact CD1-CZ2 3.76Å; F462-W531 HydrophobicContact CD1-CZ2 3.76Å; F462-W531 AromaticContact CE1-CH2 3.24Å; F462-W531 HydrophobicContact CE1-CH2 3.24Å; F462-W531 AromaticContact CE1-CZ2 3.4Å; F462-W531 HydrophobicContact CE1-CZ2 3.4Å; F462-W531 HydrophobicContact CE1-CZ3 4.45Å; F462-W531 AromaticContact CZ-CH2 3.88Å; F462-W531 HydrophobicContact CZ-CH2 3.88Å; F462-W531 HydrophobicContact CZ-CZ2 4.43Å; F462-E598 HydrophobicContact CD1-CB 3.87Å; F462-E598 HydrophobicContact CD1-CG 3.71Å; F462-E598 HydrophobicContact CD2-CG 3.93Å; F462-E598 HydrophobicContact CE1-CB 3.71Å; F462-E598 HydrophobicContact CE1-CG 3.64Å; F462-E598 HydrophobicContact CE2-CG 3.9Å; F462-E598 HydrophobicContact CG-CB 4.5Å; F462-E598 HydrophobicContact CG-CG 3.87Å; F462-E598 HydrophobicContact CZ-CB 4.24Å; F462-E598 HydrophobicContact CZ-CG 3.76Å; F462-I601 HydrophobicContact CE1-CB 4.41Å; F462-I601 HydrophobicContact CZ-CB 3.92Å; F462-I601 HydrophobicContact CZ-CG2 3.77Å; F462-R602 HydrophobicContact CE2-CG 3.95Å; F462-R602 HydrophobicContact CZ-CG 4.26Å; F462-W612 HydrophobicContact CE2-CZ3 4.4Å
463	Y	97.3	Very high	97.6	Very high	27 Å²	27	13 Å²	13	11%	0.106	6%	0.062	C	C	.	.	H	α-helix	trans	-58.7	-50.4	175.6	174.7	-85.2	0	0	0	111.5	L403 P404 N405 L410 L459 G460 L461 N466 H467	L403-Y463 HydrophobicContact CB-CE1 4.41Å; L403-Y463 VanDerWaalsContact CB-OH 3.3Å; L403-Y463 WeakPolarHBondContact CB-OH 3.37Å; L403-Y463 HydrophobicContact CD1-CE1 3.97Å; P404-Y463 PolarHBondContact O-OH 3.24Å; N405-Y463 VanDerWaalsContact O-CE2 3.32Å; N405-Y463 WeakPolarHBondContact O-CE2 3.36Å; L410-Y463 HydrophobicContact CD1-CD1 3.42Å; L410-Y463 VanDerWaalsContact CD1-CD1 3.42Å; L410-Y463 HydrophobicContact CD1-CE1 3.8Å; L410-Y463 HydrophobicContact CD1-CG 4.3Å; L459-Y463 PolarHBondContact O-N 3.33Å; G460-Y463 WeakPolarHBondContact O-CB 3.4Å; G460-Y463 PolarHBondContact O-N 3.06Å; L461-Y463 VanDerWaalsContact C-N 3.27Å; L461-Y463 PolarHBondContact O-N 3.45Å; Y463-N466 PolarHBondContact O-N 2.91Å; Y463-H467 AromaticContact CD1-ND1 3.99Å; Y463-H467 AromaticContact CD2-CE1 3.69Å; Y463-H467 AromaticContact CE1-CE1 3.91Å; Y463-H467 AromaticContact CE1-ND1 3.8Å; Y463-H467 AromaticContact CE2-CE1 3.22Å; Y463-H467 WeakPolarHBondContact CE2-CE1 3.16Å; Y463-H467 AromaticContact CE2-ND1 3.85Å; Y463-H467 AromaticContact CZ-CE1 3.34Å; Y463-H467 AromaticContact CZ-ND1 3.72Å; Y463-H467 AromaticContact CZ-NE2 3.89Å; Y463-H467 PolarHBondContact O-N 3.06Å; Y463-H467 PolarHBondContact O-ND1 3.25Å
464	L	97.6	Very high	97.6	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-61.1	-47.6	179.9	-68.2	174.6	0	0	0	111.6	V400 L410 G460 L461 N466 H467 G468 I469 Y471 F492	V400-L464 HydrophobicContact CG1-CD2 3.95Å; L410-L464 HydrophobicContact CD1-CD2 3.89Å; L410-L464 HydrophobicContact CD1-CG 4.11Å; L410-L464 HydrophobicContact CD2-CD1 4.4Å; G460-L464 PolarHBondContact O-N 3.39Å; G460-L464 VanDerWaalsContact O-N 3.16Å; L461-L464 PolarHBondContact O-N 3.22Å; L461-L464 VanDerWaalsContact O-N 3.17Å; L464-N466 VanDerWaalsContact C-N 3.3Å; L464-N466 PolarHBondContact O-N 2.83Å; L464-H467 CarbonylContact O-C 3.58Å; L464-H467 WeakPolarHBondContact O-CA 3.3Å; L464-H467 PolarHBondContact O-N 2.86Å; L464-G468 PolarHBondContact O-N 3.34Å; L464-I469 CarbonylContact C-O 3.59Å; L464-I469 VanDerWaalsContact C-O 3.28Å; L464-I469 HydrophobicContact CB-CB 4.22Å; L464-I469 HydrophobicContact CD2-CB 4.42Å; L464-I469 HydrophobicContact CD2-CD1 4.41Å; L464-I469 HydrophobicContact CD2-CG2 4.24Å; L464-I469 WeakPolarHBondContact O-CB 3.48Å; L464-I469 PolarHBondContact O-N 2.98Å; L464-Y471 HydrophobicContact CD1-CD2 4.04Å; L464-Y471 HydrophobicContact CD1-CG 4.34Å; L464-F492 HydrophobicContact CD1-CE1 4.4Å
465	H	96.3	Very high	97.5	Very high	15 Å²	15	14.8 Å²	14.8	7%	0.069	7%	0.071	C	C	.	.	H	α-helix	trans	-63	-36.9	-179.6	-67	-179.4	0	0	0	111.9	L461 F462 H467 G468 I469 K527 D530 W531	L461-H465 WeakPolarHBondContact O-CB 3.36Å; L461-H465 PolarHBondContact O-CD2 2.72Å; L461-H465 VanDerWaalsContact O-CG 3.24Å; L461-H465 PolarHBondContact O-N 3.46Å; F462-H465 PolarHBondContact O-N 3.1Å; H465-H467 PolarHBondContact O-N 3.29Å; H465-G468 PolarHBondContact O-N 3.08Å; H465-I469 PolarHBondContact CD2-O 3.35Å; H465-I469 VanDerWaalsContact CD2-O 3.28Å; H465-I469 PolarHBondContact N-O 3.13Å; H465-K527 HydrophobicContact CB-CD 4.09Å; H465-D530 IonicContact CD2-OD2 3.49Å; H465-D530 IonicContact CE1-OD2 3.2Å; H465-D530 IonicContact NE2-OD2 2.91Å; H465-D530 PolarHBondContact NE2-OD2 2.79Å; H465-W531 AromaticContact CE1-CE2 3.91Å; H465-W531 AromaticContact CE1-NE1 3.58Å; H465-W531 AromaticContact ND1-NE1 3.66Å
466	N	94.9	Very high	97.5	Very high	100 Å²	100	14.8 Å²	14.8	54%	0.535	7%	0.071	S	C	.	.	H	α-helix	trans	-68.9	-19.8	175.6	-71	-18.5	0	0	0	112.7	F462 Y463 L464	F462-N466 VanDerWaalsContact O-CB 3.23Å; F462-N466 WeakPolarHBondContact O-CB 3.31Å; F462-N466 PolarHBondContact O-N 3.39Å; F462-N466 PolarHBondContact O-ND2 2.89Å; F462-N466 VanDerWaalsContact O-ND2 3.17Å; Y463-N466 PolarHBondContact O-N 2.91Å; L464-N466 VanDerWaalsContact C-N 3.3Å; L464-N466 PolarHBondContact O-N 2.83Å
467	H	96.3	Very high	97.3	Very high	71 Å²	71	18.3 Å²	18.3	33%	0.329	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	7.8	169.5	-67.9	80.2	0	0	0	112.8	Y463 L464 H465 I469 F500	Y463-H467 AromaticContact CD1-ND1 3.99Å; Y463-H467 AromaticContact CD2-CE1 3.69Å; Y463-H467 AromaticContact CE1-CE1 3.91Å; Y463-H467 AromaticContact CE1-ND1 3.8Å; Y463-H467 AromaticContact CE2-CE1 3.22Å; Y463-H467 WeakPolarHBondContact CE2-CE1 3.16Å; Y463-H467 AromaticContact CE2-ND1 3.85Å; Y463-H467 AromaticContact CZ-CE1 3.34Å; Y463-H467 AromaticContact CZ-ND1 3.72Å; Y463-H467 AromaticContact CZ-NE2 3.89Å; Y463-H467 PolarHBondContact O-N 3.06Å; Y463-H467 PolarHBondContact O-ND1 3.25Å; L464-H467 CarbonylContact O-C 3.58Å; L464-H467 WeakPolarHBondContact O-CA 3.3Å; L464-H467 PolarHBondContact O-N 2.86Å; H465-H467 PolarHBondContact O-N 3.29Å; H467-I469 VanDerWaalsContact C-N 3.31Å; H467-I469 HydrophobicContact CB-CD1 3.85Å; H467-I469 HydrophobicContact CB-CG1 4.14Å; H467-F500 VanDerWaalsContact O-CZ 3.25Å; H467-F500 WeakPolarHBondContact O-CZ 3.4Å
468	G	96.6	Very high	97.2	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.2	32.5	-179.3	0	0	0	0	0	112.6	L464 H465 E497 G498 I499 F500	L464-G468 PolarHBondContact O-N 3.34Å; H465-G468 PolarHBondContact O-N 3.08Å; G468-E497 CarbonylContact O-C 3.56Å; G468-G498 PolarHBondContact O-N 3.1Å; G468-I499 WeakPolarHBondContact CA-O 3.34Å; G468-I499 PolarHBondContact O-N 3.09Å; G468-F500 VanDerWaalsContact N-CZ 3.29Å
469	I	98	Very high	97.2	Very high	3 Å²	3	19 Å²	19	2%	0.015	9%	0.093	C	C	.	.			trans	-114	129.1	-178.3	-55.9	170	0	0	0	108	V400 L403 L464 H465 H467 C495 K496 E497	V400-I469 HydrophobicContact CG2-CD1 4.21Å; V400-I469 HydrophobicContact CG2-CG2 4.19Å; L403-I469 HydrophobicContact CD1-CD1 3.39Å; L403-I469 HydrophobicContact CD2-CD1 4.35Å; L403-I469 HydrophobicContact CG-CD1 4.42Å; L464-I469 CarbonylContact C-O 3.59Å; L464-I469 VanDerWaalsContact C-O 3.28Å; L464-I469 HydrophobicContact CB-CB 4.22Å; L464-I469 HydrophobicContact CD2-CB 4.42Å; L464-I469 HydrophobicContact CD2-CD1 4.41Å; L464-I469 HydrophobicContact CD2-CG2 4.24Å; L464-I469 WeakPolarHBondContact O-CB 3.48Å; L464-I469 PolarHBondContact O-N 2.98Å; H465-I469 PolarHBondContact CD2-O 3.35Å; H465-I469 VanDerWaalsContact CD2-O 3.28Å; H465-I469 PolarHBondContact N-O 3.13Å; H467-I469 VanDerWaalsContact C-N 3.31Å; H467-I469 HydrophobicContact CB-CD1 3.85Å; H467-I469 HydrophobicContact CB-CG1 4.14Å; I469-C495 HydrophobicContact CG2-CB 3.92Å; I469-K496 WeakPolarHBondContact CA-O 2.99Å; I469-E497 HydrophobicContact CG1-CG 4.14Å
470	I	97.7	Very high	97.2	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.005	10%	0.099	C	C	.	.	B	Isolated β-bridge	trans	-104.2	137.9	169	60.4	175.4	0	0	0	109	R472 C495 K496 I499 T505 Y525 K527 D530	I470-R472 HydrophobicContact CB-CG 4.29Å; I470-R472 HydrophobicContact CD1-CG 3.9Å; I470-R472 HydrophobicContact CG1-CG 3.86Å; I470-C495 CarbonylContact O-C 3.6Å; I470-C495 WeakPolarHBondContact O-CA 3.37Å; I470-K496 HydrophobicContact CD1-CB 3.95Å; I470-K496 HydrophobicContact CG1-CB 3.6Å; I470-K496 PolarHBondContact N-O 3.38Å; I470-K496 PolarHBondContact O-N 3.38Å; I470-I499 HydrophobicContact CD1-CG1 4.11Å; I470-I499 HydrophobicContact CD1-CG2 4.47Å; I470-I499 HydrophobicContact CG1-CG1 4.17Å; I470-I499 HydrophobicContact CG2-CB 4.14Å; I470-I499 HydrophobicContact CG2-CG2 3.82Å; I470-T505 HydrophobicContact CD1-CG2 3.95Å; I470-Y525 HydrophobicContact CD1-CD2 4.24Å; I470-Y525 HydrophobicContact CD1-CE2 3.88Å; I470-K527 VanDerWaalsContact CG2-CA 3.43Å; I470-K527 HydrophobicContact CG2-CB 3.78Å; I470-D530 WeakPolarHBondContact CA-OD2 3.21Å
471	Y	98	Very high	97.1	Very high	1 Å²	1	20.2 Å²	20.2	0%	0.004	10%	0.099	C	C	.	.			trans	-85	-45.7	-169.1	-178.1	-110.7	0	0	0	112.8	L464 D473 L474 N478 I489 A490 D491 F492 M494 D530	L464-Y471 HydrophobicContact CD1-CD2 4.04Å; L464-Y471 HydrophobicContact CD1-CG 4.34Å; Y471-D473 WeakPolarHBondContact CE1-O 3.21Å; Y471-D473 PolarHBondContact O-N 3.28Å; Y471-D473 VanDerWaalsContact O-N 3.13Å; Y471-L474 HydrophobicContact CD1-CB 3.87Å; Y471-L474 HydrophobicContact CD1-CD1 3.98Å; Y471-L474 HydrophobicContact CE1-CB 4.06Å; Y471-L474 HydrophobicContact CE1-CD1 3.92Å; Y471-N478 WeakPolarHBondContact OH-CB 3.48Å; Y471-N478 PolarHBondContact OH-ND2 2.78Å; Y471-I489 HydrophobicContact CD2-CG2 4.3Å; Y471-I489 HydrophobicContact CE1-CG2 4.05Å; Y471-I489 HydrophobicContact CE2-CG2 3.61Å; Y471-I489 VanDerWaalsContact CZ-CG2 3.48Å; Y471-A490 PolarHBondContact OH-O 3.46Å; Y471-D491 WeakPolarHBondContact CE2-O 3.34Å; Y471-D491 PolarHBondContact OH-O 2.53Å; Y471-F492 AromaticContact CD2-CD1 3.9Å; Y471-F492 HydrophobicContact CD2-CD1 3.9Å; Y471-F492 HydrophobicContact CD2-CE1 4.21Å; Y471-F492 AromaticContact CE2-CD1 3.68Å; Y471-F492 HydrophobicContact CE2-CD1 3.68Å; Y471-F492 AromaticContact CE2-CE1 3.94Å; Y471-F492 HydrophobicContact CE2-CE1 3.94Å; Y471-M494 CarbonylContact O-C 3.59Å; Y471-D530 PolarHBondContact N-OD1 3.2Å; Y471-D530 PolarHBondContact N-OD2 2.91Å
472	R	97.6	Very high	97	Very high	20 Å²	20	21.7 Å²	21.7	8%	0.075	11%	0.107	C	C	.	.			trans	64.2	0.9	172.1	-53	-171.5	-66.2	170.3	4.4	118.1	I470 M494 C495 C509 G510 Y525 V529 D530	I470-R472 HydrophobicContact CB-CG 4.29Å; I470-R472 HydrophobicContact CD1-CG 3.9Å; I470-R472 HydrophobicContact CG1-CG 3.86Å; R472-M494 PolarHBondContact NE-O 3.02Å; R472-M494 PolarHBondContact NH2-O 3.22Å; R472-C495 PolarHBondContact NH2-O 3.01Å; R472-C509 PolarHBondContact NH1-SG 2.88Å; R472-C509 VanDerWaalsContact NH1-SG 3.37Å; R472-G510 WeakPolarHBondContact O-CA 3.31Å; R472-Y525 PolarHBondContact NH1-OH 3.35Å; R472-Y525 VanDerWaalsContact NH1-OH 3.1Å; R472-V529 HydrophobicContact CG-CG2 4.15Å; R472-D530 PolarHBondContact N-OD1 3.4Å
473	D	96.8	Very high	96.7	Very high	10 Å²	10	23.8 Å²	23.8	5%	0.053	12%	0.123	C	C	.	.			trans	-137.1	43.7	175.1	-162.2	40.1	0	0	0	112.7	Y471 K475 N478 M494 T511	Y471-D473 WeakPolarHBondContact CE1-O 3.21Å; Y471-D473 PolarHBondContact O-N 3.28Å; Y471-D473 VanDerWaalsContact O-N 3.13Å; D473-K475 PolarHBondContact O-N 3.36Å; D473-K475 IonicContact OD1-NZ 3.44Å; D473-K475 PolarHBondContact OD1-NZ 3.5Å; D473-K475 VanDerWaalsContact OD2-CE 3.24Å; D473-K475 WeakPolarHBondContact OD2-CE 3.47Å; D473-K475 IonicContact OD2-NZ 3.89Å; D473-K475 PolarHBondContact OD2-NZ 3.25Å; D473-K475 VanDerWaalsContact OD2-NZ 3.07Å; D473-N478 PolarHBondContact O-ND2 2.95Å; D473-N478 PolarHBondContact OD2-ND2 3.46Å; D473-M494 HydrophobicContact CB-CB 3.86Å; D473-M494 HydrophobicContact CB-CG 3.95Å; D473-T511 PolarHBondContact OD1-N 3.08Å; D473-T511 PolarHBondContact OD1-OG1 3.38Å
474	L	98.2	Very high	96.5	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	14%	0.137	C	C	.	.			trans	-76.3	111.2	178.8	-163.5	76.9	0	0	0	110.9	I457 L461 Y471 I479 Y514 F534 L537	I457-L474 HydrophobicContact CG2-CD1 3.97Å; I457-L474 HydrophobicContact CG2-CD2 4.14Å; L461-L474 HydrophobicContact CD1-CD2 4.03Å; L461-L474 HydrophobicContact CD2-CD1 4.46Å; Y471-L474 HydrophobicContact CD1-CB 3.87Å; Y471-L474 HydrophobicContact CD1-CD1 3.98Å; Y471-L474 HydrophobicContact CE1-CB 4.06Å; Y471-L474 HydrophobicContact CE1-CD1 3.92Å; L474-I479 HydrophobicContact CD1-CD1 3.9Å; L474-Y514 WeakPolarHBondContact O-CD1 3.28Å; L474-F534 HydrophobicContact CD2-CB 3.83Å; L474-F534 HydrophobicContact CD2-CD2 4.14Å; L474-L537 HydrophobicContact CD1-CD1 4.41Å; L474-L537 HydrophobicContact CD2-CD1 4.06Å; L474-L537 HydrophobicContact CG-CD1 3.78Å
475	K	97.2	Very high	96.3	Very high	39 Å²	39	26.7 Å²	26.7	17%	0.17	14%	0.137	C	C	.	.			trans	-149.9	161.4	177.3	58.4	-178.3	160.2	-156.6	0	110	D473 D477 N478 I479 T511 Y514	D473-K475 PolarHBondContact O-N 3.36Å; D473-K475 IonicContact OD1-NZ 3.44Å; D473-K475 PolarHBondContact OD1-NZ 3.5Å; D473-K475 VanDerWaalsContact OD2-CE 3.24Å; D473-K475 WeakPolarHBondContact OD2-CE 3.47Å; D473-K475 IonicContact OD2-NZ 3.89Å; D473-K475 PolarHBondContact OD2-NZ 3.25Å; D473-K475 VanDerWaalsContact OD2-NZ 3.07Å; K475-D477 VanDerWaalsContact C-N 3.25Å; K475-D477 HydrophobicContact CD-CB 4.26Å; K475-D477 HydrophobicContact CG-CB 4.3Å; K475-D477 PolarHBondContact O-N 2.93Å; K475-N478 WeakPolarHBondContact CE-ND2 3.22Å; K475-N478 HydrophobicContact CG-CB 4.15Å; K475-N478 PolarHBondContact O-N 3.24Å; K475-N478 VanDerWaalsContact O-N 3.14Å; K475-I479 WeakPolarHBondContact O-CG1 3.29Å; K475-T511 HydrophobicContact CD-CG2 4.16Å; K475-T511 WeakPolarHBondContact CD-OG1 3.08Å; K475-T511 PolarHBondContact NZ-OG1 2.72Å; K475-Y514 HydrophobicContact CB-CD1 4.33Å; K475-Y514 HydrophobicContact CB-CD2 3.7Å; K475-Y514 HydrophobicContact CB-CE1 4.09Å; K475-Y514 HydrophobicContact CB-CE2 3.38Å; K475-Y514 HydrophobicContact CB-CG 4.15Å
476	L	97.3	Very high	96.4	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-62.3	-30.5	-175.3	-67.5	174.9	0	0	0	113.5	L435 M436 I439 N478 I479 L537 E540 M541	L435-L476 HydrophobicContact CB-CB 4.3Å; L435-L476 HydrophobicContact CB-CD2 3.88Å; L435-L476 HydrophobicContact CD1-CD2 4.24Å; M436-L476 HydrophobicContact CB-CB 3.81Å; M436-L476 HydrophobicContact CE-CB 4.07Å; M436-L476 HydrophobicContact CE-CD1 4.36Å; I439-L476 HydrophobicContact CD1-CD1 4.2Å; I439-L476 HydrophobicContact CG2-CD1 3.82Å; L476-N478 VanDerWaalsContact C-N 3.27Å; L476-N478 PolarHBondContact O-N 2.86Å; L476-I479 PolarHBondContact O-N 3.17Å; L476-L537 HydrophobicContact CD2-CD1 4.23Å; L476-L537 HydrophobicContact CD2-CD2 3.66Å; L476-L537 HydrophobicContact CD2-CG 3.64Å; L476-L537 HydrophobicContact CG-CG 4.18Å; L476-E540 HydrophobicContact CD1-CG 3.94Å; L476-M541 HydrophobicContact CD2-CG 3.93Å; L476-M541 HydrophobicContact CD2-SD 4.36Å
477	D	95.1	Very high	96.5	Very high	73 Å²	73	21.8 Å²	21.8	39%	0.39	11%	0.111	S	C	.	.	G	3₁₀ helix	trans	-63.9	-30.5	177.3	-51.3	-100.4	0	0	0	113.1	M436 K475 I479	M436-D477 WeakPolarHBondContact CG-OD1 3.21Å; K475-D477 VanDerWaalsContact C-N 3.25Å; K475-D477 HydrophobicContact CD-CB 4.26Å; K475-D477 HydrophobicContact CG-CB 4.3Å; K475-D477 PolarHBondContact O-N 2.93Å; D477-I479 VanDerWaalsContact C-N 3.31Å
478	N	96.5	Very high	96.6	Very high	16 Å²	16	18.9 Å²	18.9	9%	0.086	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-87.7	-0.5	-179.9	-74.5	-10.7	0	0	0	112.8	Y471 D473 K475 L476 A490	Y471-N478 WeakPolarHBondContact OH-CB 3.48Å; Y471-N478 PolarHBondContact OH-ND2 2.78Å; D473-N478 PolarHBondContact O-ND2 2.95Å; D473-N478 PolarHBondContact OD2-ND2 3.46Å; K475-N478 WeakPolarHBondContact CE-ND2 3.22Å; K475-N478 HydrophobicContact CG-CB 4.15Å; K475-N478 PolarHBondContact O-N 3.24Å; K475-N478 VanDerWaalsContact O-N 3.14Å; L476-N478 VanDerWaalsContact C-N 3.27Å; L476-N478 PolarHBondContact O-N 2.86Å; N478-A490 PolarHBondContact O-N 3.03Å
479	I	98.2	Very high	96.7	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	94	176.9	-47.9	-55.6	0	0	0	108.9	D434 L435 I457 L474 K475 L476 D477 I487 I489 L537	D434-I479 CarbonylContact C-O 3.48Å; D434-I479 VanDerWaalsContact CA-O 3.32Å; D434-I479 WeakPolarHBondContact CA-O 3.46Å; L435-I479 HydrophobicContact CB-CB 4.31Å; L435-I479 HydrophobicContact CD1-CB 3.85Å; L435-I479 HydrophobicContact CD1-CG1 4.47Å; L435-I479 HydrophobicContact CD1-CG2 3.45Å; L435-I479 VanDerWaalsContact CD1-CG2 3.45Å; L435-I479 HydrophobicContact CG-CB 3.96Å; L435-I479 HydrophobicContact CG-CG2 3.77Å; L435-I479 PolarHBondContact N-O 2.75Å; I457-I479 HydrophobicContact CD1-CD1 4.2Å; I457-I479 HydrophobicContact CD1-CG1 4.05Å; I457-I479 HydrophobicContact CD1-CG2 4.14Å; I457-I479 HydrophobicContact CG1-CD1 4.14Å; I457-I479 HydrophobicContact CG1-CG1 4.45Å; I457-I479 HydrophobicContact CG1-CG2 4.18Å; L474-I479 HydrophobicContact CD1-CD1 3.9Å; K475-I479 WeakPolarHBondContact O-CG1 3.29Å; L476-I479 PolarHBondContact O-N 3.17Å; D477-I479 VanDerWaalsContact C-N 3.31Å; I479-I487 HydrophobicContact CG2-CB 3.58Å; I479-I487 HydrophobicContact CG2-CD1 4.28Å; I479-I487 HydrophobicContact CG2-CG1 4.3Å; I479-I487 HydrophobicContact CG2-CG2 3.64Å; I479-I489 HydrophobicContact CD1-CG1 3.9Å; I479-L537 HydrophobicContact CG1-CD1 4.13Å
480	L	97.7	Very high	96.6	Very high	38 Å²	38	19.5 Å²	19.5	20%	0.199	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	159.3	179.8	-51.2	-176.5	0	0	0	111.2	V430 G433 D434 I487 K488 A490	V430-L480 HydrophobicContact CB-CB 4.18Å; V430-L480 HydrophobicContact CB-CD1 4.04Å; V430-L480 HydrophobicContact CG1-CB 3.53Å; V430-L480 HydrophobicContact CG1-CD1 4.32Å; V430-L480 HydrophobicContact CG2-CD1 4.49Å; G433-L480 CarbonylContact O-C 3.56Å; G433-L480 VanDerWaalsContact O-CA 3.29Å; G433-L480 WeakPolarHBondContact O-CA 3.47Å; D434-L480 HydrophobicContact CB-CD2 3.95Å; L480-I487 CarbonylContact O-C 3.59Å; L480-I487 WeakPolarHBondContact O-CA 3.49Å; L480-K488 HydrophobicContact CB-CB 4.3Å; L480-K488 PolarHBondContact N-O 2.82Å; L480-K488 PolarHBondContact O-N 3.37Å; L480-A490 HydrophobicContact CD1-CB 3.68Å; L480-A490 HydrophobicContact CG-CB 3.9Å
481	L	97	Very high	96.4	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.005	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	132.6	174.1	-68.7	171.6	0	0	0	111	V430 G432 G433 L435 Y453 G485 H486 I487 F624 P626	V430-L481 WeakPolarHBondContact CG1-O 3.16Å; G432-L481 WeakPolarHBondContact CA-O 3.22Å; G432-L481 PolarHBondContact N-O 3.12Å; G433-L481 PolarHBondContact O-N 3.07Å; L435-L481 HydrophobicContact CD2-CD1 4.06Å; L435-L481 HydrophobicContact CD2-CD2 3.89Å; L435-L481 HydrophobicContact CD2-CG 4.07Å; Y453-L481 HydrophobicContact CE1-CD2 3.7Å; L481-G485 WeakPolarHBondContact CD2-O 3.23Å; L481-H486 WeakPolarHBondContact CA-O 3.48Å; L481-I487 HydrophobicContact CD2-CG2 3.92Å; L481-F624 HydrophobicContact CD1-CD1 4.09Å; L481-F624 HydrophobicContact CD1-CE1 4.2Å; L481-P626 HydrophobicContact CB-CG 4.3Å
482	D	94.9	Very high	96.3	Very high	32 Å²	32	22.5 Å²	22.5	17%	0.171	12%	0.119	C	C	.	.			trans	-78	-177.8	171	75.7	15	0	0	0	112.6	V430 E484 G485 H486 P626	V430-D482 HydrophobicContact CG1-CB 4.46Å; D482-E484 PolarHBondContact O-N 2.88Å; D482-E484 WeakPolarHBondContact OD1-CA 3.25Å; D482-E484 PolarHBondContact OD1-N 2.62Å; D482-G485 PolarHBondContact O-N 2.78Å; D482-G485 VanDerWaalsContact O-N 3.11Å; D482-G485 PolarHBondContact OD1-N 2.97Å; D482-H486 PolarHBondContact N-O 3.24Å; D482-H486 PolarHBondContact OD1-N 3.39Å; D482-P626 WeakPolarHBondContact O-CG 3.31Å
483	S	92.1	Very high	96	Very high	52 Å²	52	22.1 Å²	22.1	36%	0.364	12%	0.122	S	C	.	.	S	Bend	trans	-66.7	-20.4	-176.3	60.6	0	0	0	0	114.9	N431 I628	N431-S483 PolarHBondContact OD1-N 2.97Å; S483-I628 VanDerWaalsContact CA-CD1 3.47Å
484	E	91.8	Very high	95.9	Very high	88 Å²	88	25 Å²	25	41%	0.411	14%	0.136	S	C	.	.	S	Bend	trans	-93.9	-17.2	175.4	-65.6	-53.1	123.4	0	0	112	D482 P622 K625	D482-E484 PolarHBondContact O-N 2.88Å; D482-E484 WeakPolarHBondContact OD1-CA 3.25Å; D482-E484 PolarHBondContact OD1-N 2.62Å; E484-P622 WeakPolarHBondContact O-CG 3.18Å; E484-K625 IonicContact OE1-NZ 3.83Å; E484-K625 PolarHBondContact OE1-NZ 3.2Å; E484-K625 IonicContact OE2-NZ 3.59Å; E484-K625 PolarHBondContact OE2-NZ 2.75Å
485	G	94.8	Very high	95.9	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.136	C	C	.	.	S	Bend	trans	100.7	15.6	178.5	0	0	0	0	0	114.3	Y453 L481 D482 F624	Y453-G485 WeakPolarHBondContact CE1-O 3.3Å; L481-G485 WeakPolarHBondContact CD2-O 3.23Å; D482-G485 PolarHBondContact O-N 2.78Å; D482-G485 VanDerWaalsContact O-N 3.11Å; D482-G485 PolarHBondContact OD1-N 2.97Å; G485-F624 WeakPolarHBondContact CA-O 3.36Å
486	H	97.6	Very high	95.9	Very high	12 Å²	12	26.7 Å²	26.7	6%	0.056	14%	0.143	C	C	.	.			trans	-80.4	151.2	168.6	-69	-76.2	0	0	0	110.5	F452 E456 L481 D482 L618 I620 P622	F452-H486 AromaticContact CZ-CE1 3.91Å; F452-H486 AromaticContact CZ-ND1 3.7Å; E456-H486 IonicContact OE1-CE1 2.78Å; E456-H486 IonicContact OE1-CG 3.07Å; E456-H486 IonicContact OE1-ND1 2.78Å; E456-H486 PolarHBondContact OE1-ND1 2.77Å; L481-H486 WeakPolarHBondContact CA-O 3.48Å; D482-H486 PolarHBondContact N-O 3.24Å; D482-H486 PolarHBondContact OD1-N 3.39Å; H486-L618 HydrophobicContact CB-CD2 4.35Å; H486-I620 PolarHBondContact CE1-O 2.99Å; H486-I620 VanDerWaalsContact CE1-O 3.31Å; H486-P622 WeakPolarHBondContact NE2-CG 3.37Å
487	I	98.3	Very high	95.8	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	155.2	-177.6	69.2	94.9	0	0	0	113.2	F409 L435 Y453 E456 I457 I479 L480 L481 I489	F409-I487 WeakPolarHBondContact CA-O 3.29Å; F409-I487 HydrophobicContact CB-CD1 3.71Å; F409-I487 HydrophobicContact CB-CG1 4.46Å; F409-I487 HydrophobicContact CD1-CD1 4.32Å; F409-I487 HydrophobicContact CD1-CG1 4.16Å; F409-I487 HydrophobicContact CG-CD1 4.33Å; L435-I487 HydrophobicContact CD1-CG2 4.27Å; Y453-I487 HydrophobicContact CD1-CG2 3.4Å; Y453-I487 VanDerWaalsContact CD1-CG2 3.4Å; Y453-I487 HydrophobicContact CE1-CG2 3.94Å; Y453-I487 HydrophobicContact CG-CG2 4.22Å; E456-I487 HydrophobicContact CB-CD1 4.12Å; E456-I487 HydrophobicContact CB-CG1 3.41Å; E456-I487 VanDerWaalsContact CB-CG1 3.41Å; E456-I487 HydrophobicContact CG-CG1 4.41Å; E456-I487 VanDerWaalsContact OE2-CG1 3.29Å; E456-I487 WeakPolarHBondContact OE2-CG1 3.13Å; E456-I487 PolarHBondContact OE2-N 3.06Å; I457-I487 HydrophobicContact CG1-CD1 3.96Å; I457-I487 HydrophobicContact CG1-CG1 4.27Å; I479-I487 HydrophobicContact CG2-CB 3.58Å; I479-I487 HydrophobicContact CG2-CD1 4.28Å; I479-I487 HydrophobicContact CG2-CG1 4.3Å; I479-I487 HydrophobicContact CG2-CG2 3.64Å; L480-I487 CarbonylContact O-C 3.59Å; L480-I487 WeakPolarHBondContact O-CA 3.49Å; L481-I487 HydrophobicContact CD2-CG2 3.92Å; I487-I489 HydrophobicContact CD1-CG1 3.97Å
488	K	98.3	Very high	95.8	Very high	9 Å²	9	26.9 Å²	26.9	4%	0.039	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	110.6	170.8	-64.4	-73.6	-172.3	158	0	108.9	P408 F409 V411 E428 V430 L480 A490	P408-K488 VanDerWaalsContact O-CD 3.23Å; P408-K488 WeakPolarHBondContact O-CD 3.26Å; P408-K488 WeakPolarHBondContact O-CE 3.22Å; P408-K488 PolarHBondContact O-NZ 2.87Å; F409-K488 CarbonylContact O-C 3.55Å; F409-K488 WeakPolarHBondContact O-CA 2.93Å; V411-K488 HydrophobicContact CG2-CB 3.89Å; E428-K488 IonicContact OE1-NZ 3.01Å; E428-K488 PolarHBondContact OE1-NZ 3.5Å; E428-K488 IonicContact OE2-NZ 2.7Å; E428-K488 PolarHBondContact OE2-NZ 2.77Å; E428-K488 VanDerWaalsContact OE2-NZ 3.1Å; V430-K488 HydrophobicContact CG1-CB 4.17Å; V430-K488 HydrophobicContact CG1-CG 4.03Å; V430-K488 HydrophobicContact CG2-CB 4.11Å; V430-K488 HydrophobicContact CG2-CG 3.92Å; L480-K488 HydrophobicContact CB-CB 4.3Å; L480-K488 PolarHBondContact N-O 2.82Å; L480-K488 PolarHBondContact O-N 3.37Å; K488-A490 PolarHBondContact O-N 3.06Å
489	I	98.4	Very high	95.8	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	124.6	170.6	-53.7	178.5	0	0	0	107.9	F409 L410 V411 I457 Y471 I479 I487 F492	F409-I489 PolarHBondContact O-N 3.01Å; L410-I489 HydrophobicContact CD2-CB 3.7Å; L410-I489 HydrophobicContact CD2-CD1 3.83Å; L410-I489 HydrophobicContact CD2-CG1 4.07Å; L410-I489 HydrophobicContact CD2-CG2 4.4Å; V411-I489 WeakPolarHBondContact CG2-O 3.29Å; V411-I489 PolarHBondContact N-O 3.33Å; I457-I489 HydrophobicContact CG2-CD1 4.37Å; Y471-I489 HydrophobicContact CD2-CG2 4.3Å; Y471-I489 HydrophobicContact CE1-CG2 4.05Å; Y471-I489 HydrophobicContact CE2-CG2 3.61Å; Y471-I489 VanDerWaalsContact CZ-CG2 3.48Å; I479-I489 HydrophobicContact CD1-CG1 3.9Å; I487-I489 HydrophobicContact CD1-CG1 3.97Å; I489-F492 HydrophobicContact CG2-CE1 4.26Å; I489-F492 WeakPolarHBondContact O-CZ 3.47Å
490	A	95.8	Very high	95.5	Very high	16 Å²	16	31.8 Å²	31.8	13%	0.132	17%	0.17	C	C	.	.			trans	-112.8	-175.2	179.9	0	0	0	0	0	111.4	V411 Y471 N478 L480 K488	V411-A490 HydrophobicContact CG2-CB 3.83Å; Y471-A490 PolarHBondContact OH-O 3.46Å; N478-A490 PolarHBondContact O-N 3.03Å; L480-A490 HydrophobicContact CD1-CB 3.68Å; L480-A490 HydrophobicContact CG-CB 3.9Å; K488-A490 PolarHBondContact O-N 3.06Å
491	D	93.3	Very high	94.9	Very high	64 Å²	64	37.9 Å²	37.9	34%	0.342	20%	0.203	S	C	.	.			trans	46.9	86.6	176.2	-153.8	-2.6	0	0	0	116.2	K378 Y471	K378-D491 IonicContact NZ-OD1 2.83Å; K378-D491 PolarHBondContact NZ-OD1 3.4Å; Y471-D491 WeakPolarHBondContact CE2-O 3.34Å; Y471-D491 PolarHBondContact OH-O 2.53Å
492	F	95.2	Very high	94.4	Very high	1 Å²	1	46.5 Å²	46.5	0%	0.004	24%	0.243	C	C	.	.			trans	-97.2	12.8	-177.6	-57.3	-80.8	0	0	0	113.4	E397 V400 L401 L410 V411 L464 Y471 I489 M494 C495	E397-F492 HydrophobicContact CG-CB 4.23Å; V400-F492 HydrophobicContact CB-CB 3.98Å; V400-F492 HydrophobicContact CB-CG 4.25Å; V400-F492 HydrophobicContact CG1-CB 3.88Å; V400-F492 HydrophobicContact CG1-CD1 3.5Å; V400-F492 HydrophobicContact CG1-CD2 4.41Å; V400-F492 HydrophobicContact CG1-CE1 4.12Å; V400-F492 HydrophobicContact CG1-CG 3.67Å; L401-F492 HydrophobicContact CD2-CD2 3.58Å; L401-F492 HydrophobicContact CD2-CE2 3.61Å; L401-F492 HydrophobicContact CG-CD2 3.81Å; L401-F492 HydrophobicContact CG-CE2 4.34Å; L410-F492 HydrophobicContact CB-CZ 4.15Å; L410-F492 HydrophobicContact CD2-CE1 4.16Å; L410-F492 HydrophobicContact CD2-CZ 4.16Å; V411-F492 HydrophobicContact CB-CE2 4.35Å; L464-F492 HydrophobicContact CD1-CE1 4.4Å; Y471-F492 AromaticContact CD2-CD1 3.9Å; Y471-F492 HydrophobicContact CD2-CD1 3.9Å; Y471-F492 HydrophobicContact CD2-CE1 4.21Å; Y471-F492 AromaticContact CE2-CD1 3.68Å; Y471-F492 HydrophobicContact CE2-CD1 3.68Å; Y471-F492 AromaticContact CE2-CE1 3.94Å; Y471-F492 HydrophobicContact CE2-CE1 3.94Å; I489-F492 HydrophobicContact CG2-CE1 4.26Å; I489-F492 WeakPolarHBondContact O-CZ 3.47Å; F492-M494 PolarHBondContact O-N 3.24Å; F492-C495 VanDerWaalsContact O-CB 3.3Å; F492-C495 WeakPolarHBondContact O-CB 3.14Å; F492-C495 PolarHBondContact O-N 3.48Å; F492-C495 VanDerWaalsContact O-N 3.1Å
493	G	92.3	Very high	94.3	Very high	12 Å²	12	50.8 Å²	50.8	12%	0.124	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-31.2	-177.4	0	0	0	0	0	114
494	M	94	Very high	94.5	Very high	71 Å²	71	53.6 Å²	53.6	35%	0.35	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-0.6	179.2	-67.7	-65.6	-158.2	0	0	113.8	Y471 R472 D473 F492 C509	Y471-M494 CarbonylContact O-C 3.59Å; R472-M494 PolarHBondContact NE-O 3.02Å; R472-M494 PolarHBondContact NH2-O 3.22Å; D473-M494 HydrophobicContact CB-CB 3.86Å; D473-M494 HydrophobicContact CB-CG 3.95Å; F492-M494 PolarHBondContact O-N 3.24Å; M494-C509 HydrophobicContact CE-CB 4.41Å; M494-C509 HydrophobicContact SD-CB 4.03Å
495	C	97.5	Very high	94.7	Very high	3 Å²	3	50.2 Å²	50.2	2%	0.02	25%	0.251	C	S	.	.			trans	-60.8	156.1	-179.3	-76.1	0	0	0	0	112.2	T396 V400 I469 I470 R472 F492	T396-C495 HydrophobicContact CG2-CB 3.84Å; V400-C495 HydrophobicContact CG2-CB 3.91Å; I469-C495 HydrophobicContact CG2-CB 3.92Å; I470-C495 CarbonylContact O-C 3.6Å; I470-C495 WeakPolarHBondContact O-CA 3.37Å; R472-C495 PolarHBondContact NH2-O 3.01Å; F492-C495 VanDerWaalsContact O-CB 3.3Å; F492-C495 WeakPolarHBondContact O-CB 3.14Å; F492-C495 PolarHBondContact O-N 3.48Å; F492-C495 VanDerWaalsContact O-N 3.1Å
496	K	97.1	Very high	94.8	Very high	72 Å²	72	58 Å²	58	31%	0.313	28%	0.28	S	S	.	.	B	Isolated β-bridge	trans	-131.5	122.1	168	-170.6	72	174.6	-179.4	0	110.1	I469 I470 I499 T505	I469-K496 WeakPolarHBondContact CA-O 2.99Å; I470-K496 HydrophobicContact CD1-CB 3.95Å; I470-K496 HydrophobicContact CG1-CB 3.6Å; I470-K496 PolarHBondContact N-O 3.38Å; I470-K496 PolarHBondContact O-N 3.38Å; K496-I499 HydrophobicContact CB-CG1 4.34Å; K496-I499 HydrophobicContact CG-CD1 4.04Å; K496-I499 HydrophobicContact CG-CG1 3.94Å; K496-T505 HydrophobicContact CG-CG2 4.47Å
497	E	96.1	Very high	94.7	Very high	52 Å²	52	60.7 Å²	60.7	24%	0.243	30%	0.298	C	S	.	.			trans	-90.9	161.4	-177.6	-59.3	172.5	-55.6	0	0	112.7	T396 R399 V400 G468 I469 I499	T396-E497 HydrophobicContact CG2-CG 4.18Å; R399-E497 VanDerWaalsContact CB-OE2 3.29Å; R399-E497 WeakPolarHBondContact CB-OE2 3.04Å; R399-E497 IonicContact CZ-OE1 3.16Å; R399-E497 IonicContact NE-OE1 2.74Å; R399-E497 PolarHBondContact NE-OE1 2.98Å; R399-E497 IonicContact NE-OE2 3.63Å; R399-E497 IonicContact NH2-OE1 3.1Å; R399-E497 PolarHBondContact NH2-OE1 2.86Å; V400-E497 HydrophobicContact CG2-CG 4.28Å; G468-E497 CarbonylContact O-C 3.56Å; I469-E497 HydrophobicContact CG1-CG 4.14Å; E497-I499 VanDerWaalsContact C-N 3.3Å; E497-I499 PolarHBondContact O-N 2.67Å
498	G	95.2	Very high	94.6	Very high	25 Å²	25	64.7 Å²	64.7	26%	0.258	32%	0.315	S	S	.	.			trans	68	28.2	175.9	0	0	0	0	0	113.6	G468 F500 K503	G468-G498 PolarHBondContact O-N 3.1Å; G498-F500 PolarHBondContact O-N 2.83Å; G498-K503 WeakPolarHBondContact O-CD 3.47Å; G498-K503 WeakPolarHBondContact O-CE 3.35Å; G498-K503 PolarHBondContact O-NZ 3.48Å
499	I	95.5	Very high	94.3	Very high	16 Å²	16	65 Å²	65	8%	0.082	32%	0.318	C	S	.	.			trans	-94.8	81.1	173.6	-57.6	-56.9	0	0	0	107.6	G468 I470 K496 E497 K503	G468-I499 WeakPolarHBondContact CA-O 3.34Å; G468-I499 PolarHBondContact O-N 3.09Å; I470-I499 HydrophobicContact CD1-CG1 4.11Å; I470-I499 HydrophobicContact CD1-CG2 4.47Å; I470-I499 HydrophobicContact CG1-CG1 4.17Å; I470-I499 HydrophobicContact CG2-CB 4.14Å; I470-I499 HydrophobicContact CG2-CG2 3.82Å; K496-I499 HydrophobicContact CB-CG1 4.34Å; K496-I499 HydrophobicContact CG-CD1 4.04Å; K496-I499 HydrophobicContact CG-CG1 3.94Å; E497-I499 VanDerWaalsContact C-N 3.3Å; E497-I499 PolarHBondContact O-N 2.67Å; I499-K503 HydrophobicContact CD1-CG 4.2Å; I499-K503 WeakPolarHBondContact CG2-O 3.28Å
500	F	92.5	Very high	94.1	Very high	104 Å²	104	66.1 Å²	66.1	46%	0.456	33%	0.33	S	S	.	.			trans	-110.2	148	172.2	-66.2	-80.6	0	0	0	109.8	H467 G468 G498 E502 K503	H467-F500 VanDerWaalsContact O-CZ 3.25Å; H467-F500 WeakPolarHBondContact O-CZ 3.4Å; G468-F500 VanDerWaalsContact N-CZ 3.29Å; G498-F500 PolarHBondContact O-N 2.83Å; F500-E502 PolarHBondContact O-N 2.73Å; F500-K503 WeakPolarHBondContact O-CB 3.22Å; F500-K503 PolarHBondContact O-N 3.24Å
501	D	85.1	Confident	94	Very high	166 Å²	166	66.6 Å²	66.6	89%	0.888	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	-109.8	171.7	-52.4	-43.7	0	0	0	113.5
502	E	86.7	Confident	94.2	Very high	182 Å²	182	65.2 Å²	65.2	85%	0.85	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-11.4	-176.4	-60.3	-172.7	169.7	0	0	113.8	F500 K504	F500-E502 PolarHBondContact O-N 2.73Å; E502-K504 PolarHBondContact O-N 2.98Å
503	K	93.9	Very high	94.2	Very high	121 Å²	121	68.1 Å²	68.1	53%	0.526	34%	0.341	S	S	.	.			trans	-71.1	126.6	-178.8	-175.7	161	157.8	-149.2	0	109.6	G498 I499 F500	G498-K503 WeakPolarHBondContact O-CD 3.47Å; G498-K503 WeakPolarHBondContact O-CE 3.35Å; G498-K503 PolarHBondContact O-NZ 3.48Å; I499-K503 HydrophobicContact CD1-CG 4.2Å; I499-K503 WeakPolarHBondContact CG2-O 3.28Å; F500-K503 WeakPolarHBondContact O-CB 3.22Å; F500-K503 PolarHBondContact O-N 3.24Å
504	K	95.9	Very high	94.5	Very high	112 Å²	112	68 Å²	68	49%	0.487	34%	0.337	S	S	.	.			trans	-130.3	168.7	-175.7	-71	-176.9	172.1	-162.6	0	111.5	E502 L524 Y525	E502-K504 PolarHBondContact O-N 2.98Å; K504-L524 HydrophobicContact CB-CB 4.02Å; K504-L524 HydrophobicContact CB-CD2 4.27Å; K504-L524 HydrophobicContact CD-CB 3.81Å; K504-L524 WeakPolarHBondContact CD-O 3.43Å; K504-L524 PolarHBondContact NZ-O 3.2Å; K504-Y525 CarbonylContact C-O 3.6Å; K504-Y525 VanDerWaalsContact CA-O 3.28Å; K504-Y525 WeakPolarHBondContact CA-O 3.47Å; K504-Y525 VanDerWaalsContact CB-O 3.26Å; K504-Y525 WeakPolarHBondContact CB-O 3.29Å
505	T	96.1	Very high	94.7	Very high	16 Å²	16	64.9 Å²	64.9	10%	0.098	32%	0.322	C	S	.	.	B	Isolated β-bridge	trans	-132.2	170	174	-168	0	0	0	0	110.9	I470 K496 L524 Y525	I470-T505 HydrophobicContact CD1-CG2 3.95Å; K496-T505 HydrophobicContact CG-CG2 4.47Å; T505-L524 WeakPolarHBondContact O-CA 3.45Å; T505-Y525 HydrophobicContact CG2-CD2 3.92Å; T505-Y525 HydrophobicContact CG2-CE1 4.18Å; T505-Y525 HydrophobicContact CG2-CE2 3.33Å; T505-Y525 VanDerWaalsContact CG2-CZ 3.48Å; T505-Y525 PolarHBondContact N-O 2.9Å; T505-Y525 WeakPolarHBondContact O-CD1 3.45Å; T505-Y525 PolarHBondContact O-N 3.45Å
506	R	95.8	Very high	94.7	Very high	164 Å²	164	64.7 Å²	64.7	62%	0.619	32%	0.321	S	S	*	.			trans	-137.3	12.1	-177.6	-162.8	173.4	59.1	170.9	-1.7	112.3	F508 Y522 L524	R506-F508 PolarHBondContact O-N 3.45Å; R506-Y522 WeakPolarHBondContact CD-O 3.39Å; R506-Y522 VanDerWaalsContact CG-O 3.26Å; R506-Y522 WeakPolarHBondContact CG-O 3.3Å; R506-L524 HydrophobicContact CB-CD2 4.07Å
507	T	95.5	Very high	94.7	Very high	69 Å²	69	62.1 Å²	62.1	42%	0.423	31%	0.311	S	S	.	.			trans	-65.8	127.9	-179.8	-55.4	0	0	0	0	109.3	C509 Y525	T507-C509 PolarHBondContact O-N 2.82Å; T507-Y525 WeakPolarHBondContact O-CE1 3.22Å; T507-Y525 PolarHBondContact O-OH 3.15Å
508	F	95.7	Very high	94.8	Very high	83 Å²	83	59.8 Å²	59.8	36%	0.364	30%	0.3	S	S	.	.			trans	-79	111.8	173.2	-171.9	-80.6	0	0	0	108.9	R506 I515 I519 Y522 F557	R506-F508 PolarHBondContact O-N 3.45Å; F508-I515 HydrophobicContact CE1-CD1 4.14Å; F508-I515 HydrophobicContact CE2-CD1 4.26Å; F508-I515 HydrophobicContact CZ-CD1 3.86Å; F508-I519 HydrophobicContact CD2-CG2 3.95Å; F508-I519 WeakPolarHBondContact CD2-O 3.24Å; F508-I519 HydrophobicContact CE2-CG2 4.38Å; F508-I519 HydrophobicContact CG-CG2 4.3Å; F508-Y522 HydrophobicContact CB-CE1 3.94Å; F508-Y522 HydrophobicContact CD2-CE1 4Å; F508-Y522 HydrophobicContact CD2-CE2 4.35Å; F508-Y522 AromaticContact CD2-CZ 3.88Å; F508-Y522 HydrophobicContact CG-CE1 4.29Å; F508-F557 HydrophobicContact CZ-CE2 4.07Å; F508-F557 HydrophobicContact CZ-CZ 4.13Å
509	C	93.8	Very high	94.9	Very high	16 Å²	16	59 Å²	59	11%	0.108	29%	0.29	C	S	.	.			trans	-160.8	160.7	179.2	63.4	0	0	0	0	110.9	R472 M494 T507	R472-C509 PolarHBondContact NH1-SG 2.88Å; R472-C509 VanDerWaalsContact NH1-SG 3.37Å; M494-C509 HydrophobicContact CE-CB 4.41Å; M494-C509 HydrophobicContact SD-CB 4.03Å; T507-C509 PolarHBondContact O-N 2.82Å
510	G	93	Very high	95	Very high	23 Å²	23	59.6 Å²	59.6	24%	0.237	29%	0.293	C	S	.	.	S	Bend	trans	128.2	172.4	177.9	0	0	0	0	0	111.6	R472	R472-G510 WeakPolarHBondContact O-CA 3.31Å
511	T	94.9	Very high	95.1	Very high	27 Å²	27	56.9 Å²	56.9	17%	0.166	30%	0.295	C	S	.	.			trans	-82.5	128.6	174.4	-61.1	0	0	0	0	109.8	D473 K475 D513 Y514 I515	D473-T511 PolarHBondContact OD1-N 3.08Å; D473-T511 PolarHBondContact OD1-OG1 3.38Å; K475-T511 HydrophobicContact CD-CG2 4.16Å; K475-T511 WeakPolarHBondContact CD-OG1 3.08Å; K475-T511 PolarHBondContact NZ-OG1 2.72Å; T511-D513 VanDerWaalsContact C-N 3.34Å; T511-D513 PolarHBondContact O-N 2.86Å; T511-Y514 HydrophobicContact CG2-CD2 3.82Å; T511-Y514 HydrophobicContact CG2-CE2 4.27Å; T511-Y514 PolarHBondContact O-N 2.99Å; T511-I515 PolarHBondContact O-N 2.91Å
512	P	96.4	Very high	95.7	Very high	35 Å²	35	56 Å²	56	23%	0.227	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-48.6	-44.9	-171.6	-32.7	36.9	0	0	0	115.4	Y514 I515 L556 F557 I560	P512-Y514 PolarHBondContact O-N 3.14Å; P512-I515 WeakPolarHBondContact O-CG2 3.44Å; P512-I515 PolarHBondContact O-N 3.11Å; P512-L556 HydrophobicContact CB-CD2 3.83Å; P512-F557 HydrophobicContact CB-CE1 4Å; P512-F557 HydrophobicContact CB-CZ 4.41Å; P512-I560 WeakPolarHBondContact O-CD1 3.34Å
513	D	96.3	Very high	96.2	Very high	61 Å²	61	52.6 Å²	52.6	33%	0.326	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-66.1	-24.5	-178.5	-54.4	-80.7	0	0	0	113.9	T511	T511-D513 VanDerWaalsContact C-N 3.34Å; T511-D513 PolarHBondContact O-N 2.86Å
514	Y	98.1	Very high	96.3	Very high	11 Å²	11	51.9 Å²	51.9	4%	0.043	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-106	-5.5	-175.8	-59	-94.3	0	0	0	112.7	L474 K475 T511 P512 W532 S533 V536 L537 E540	L474-Y514 WeakPolarHBondContact O-CD1 3.28Å; K475-Y514 HydrophobicContact CB-CD1 4.33Å; K475-Y514 HydrophobicContact CB-CD2 3.7Å; K475-Y514 HydrophobicContact CB-CE1 4.09Å; K475-Y514 HydrophobicContact CB-CE2 3.38Å; K475-Y514 HydrophobicContact CB-CG 4.15Å; T511-Y514 HydrophobicContact CG2-CD2 3.82Å; T511-Y514 HydrophobicContact CG2-CE2 4.27Å; T511-Y514 PolarHBondContact O-N 2.99Å; P512-Y514 PolarHBondContact O-N 3.14Å; Y514-W532 VanDerWaalsContact O-CD1 3.32Å; Y514-S533 PolarHBondContact O-OG 3.04Å; Y514-V536 HydrophobicContact CD1-CB 3.9Å; Y514-V536 HydrophobicContact CD1-CG1 3.41Å; Y514-V536 VanDerWaalsContact CD1-CG1 3.41Å; Y514-V536 HydrophobicContact CE1-CB 4.48Å; Y514-V536 HydrophobicContact CE1-CG1 3.72Å; Y514-V536 HydrophobicContact CG-CG1 4.07Å; Y514-L537 HydrophobicContact CE1-CB 4.31Å; Y514-E540 WeakPolarHBondContact CE1-OE2 3.24Å; Y514-E540 VanDerWaalsContact CZ-OE2 3.23Å; Y514-E540 PolarHBondContact OH-OE2 2.89Å
515	I	97.4	Very high	96.3	Very high	4 Å²	4	46.7 Å²	46.7	2%	0.021	24%	0.243	C	C	.	.			trans	-67.3	138.7	-171.4	-155.4	171.4	0	0	0	111.2	F508 T511 P512 I519 I520 W532 F557 I560	F508-I515 HydrophobicContact CE1-CD1 4.14Å; F508-I515 HydrophobicContact CE2-CD1 4.26Å; F508-I515 HydrophobicContact CZ-CD1 3.86Å; T511-I515 PolarHBondContact O-N 2.91Å; P512-I515 WeakPolarHBondContact O-CG2 3.44Å; P512-I515 PolarHBondContact O-N 3.11Å; I515-I519 HydrophobicContact CD1-CB 4.3Å; I515-I519 HydrophobicContact CD1-CG2 3.73Å; I515-I519 HydrophobicContact CG1-CB 3.98Å; I515-I519 HydrophobicContact CG1-CD1 4.05Å; I515-I519 HydrophobicContact CG1-CG2 3.92Å; I515-I520 HydrophobicContact CG2-CD1 3.74Å; I515-I520 HydrophobicContact CG2-CG1 3.79Å; I515-W532 PolarHBondContact O-NE1 2.8Å; I515-F557 HydrophobicContact CG2-CD1 4.17Å; I515-F557 HydrophobicContact CG2-CE1 3.9Å; I515-I560 HydrophobicContact CG2-CD1 3.97Å
516	A	98	Very high	96.3	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.243	C	C	.	.			trans	-78.6	146.3	-178.9	0	0	0	0	0	111.8	E518 I519 I520 V529 W532	A516-E518 VanDerWaalsContact C-N 3.25Å; A516-E518 HydrophobicContact CB-CG 4.37Å; A516-E518 WeakPolarHBondContact CB-OE2 3.3Å; A516-E518 PolarHBondContact O-N 3.34Å; A516-I519 HydrophobicContact CB-CD1 4.17Å; A516-I519 HydrophobicContact CB-CG1 4.26Å; A516-I519 WeakPolarHBondContact O-CB 3.26Å; A516-I519 PolarHBondContact O-N 3.36Å; A516-I520 PolarHBondContact O-N 2.95Å; A516-V529 HydrophobicContact CB-CB 3.87Å; A516-V529 HydrophobicContact CB-CG1 3.84Å; A516-W532 VanDerWaalsContact CA-CD1 3.48Å; A516-W532 HydrophobicContact CB-CB 3.88Å; A516-W532 HydrophobicContact CB-CG 3.82Å
517	P	97.9	Very high	96.3	Very high	17 Å²	17	42.7 Å²	42.7	11%	0.11	23%	0.231	C	C	.	.	H	α-helix	trans	-61	-33	-178	24	-34.5	0	0	0	112.7	I519 I520 G521 W532 I560 R585	P517-I519 PolarHBondContact O-N 3.01Å; P517-I520 PolarHBondContact O-N 3.5Å; P517-G521 PolarHBondContact O-N 3.06Å; P517-W532 VanDerWaalsContact CD-CD2 3.44Å; P517-W532 VanDerWaalsContact CD-CE2 3.5Å; P517-W532 HydrophobicContact CG-CD2 4.37Å; P517-W532 HydrophobicContact CG-CE3 4Å; P517-W532 HydrophobicContact CG-CH2 3.97Å; P517-W532 HydrophobicContact CG-CZ2 4.35Å; P517-W532 HydrophobicContact CG-CZ3 3.78Å; P517-I560 HydrophobicContact CB-CG2 4.23Å; P517-R585 HydrophobicContact CG-CB 4.25Å; P517-R585 HydrophobicContact CG-CG 4.19Å
518	E	97.3	Very high	96.4	Very high	4 Å²	4	40 Å²	40	2%	0.019	22%	0.215	C	C	.	.	H	α-helix	trans	-68	-22.5	176	65.4	-96.6	-140	0	0	113.4	A516 E523 S528 V529 P587 R590	A516-E518 VanDerWaalsContact C-N 3.25Å; A516-E518 HydrophobicContact CB-CG 4.37Å; A516-E518 WeakPolarHBondContact CB-OE2 3.3Å; A516-E518 PolarHBondContact O-N 3.34Å; E518-E523 HydrophobicContact CB-CB 4.17Å; E518-E523 WeakPolarHBondContact O-CB 3.07Å; E518-E523 PolarHBondContact O-N 3.26Å; E518-S528 PolarHBondContact OE1-OG 2.64Å; E518-V529 HydrophobicContact CG-CG1 3.87Å; E518-V529 WeakPolarHBondContact OE1-CG1 3.38Å; E518-P587 HydrophobicContact CB-CG 4.26Å; E518-P587 HydrophobicContact CG-CG 4.2Å; E518-R590 IonicContact OE1-CZ 2.93Å; E518-R590 IonicContact OE1-NH1 2.97Å; E518-R590 PolarHBondContact OE1-NH1 3.35Å; E518-R590 IonicContact OE1-NH2 2.84Å; E518-R590 PolarHBondContact OE1-NH2 3.04Å; E518-R590 IonicContact OE2-CZ 3.15Å; E518-R590 IonicContact OE2-NH1 2.56Å; E518-R590 PolarHBondContact OE2-NH1 2.9Å; E518-R590 IonicContact OE2-NH2 3.65Å; E518-R590 PolarHBondContact OE2-NH2 3.37Å
519	I	97.7	Very high	96.5	Very high	7 Å²	7	36 Å²	36	4%	0.036	20%	0.198	C	C	.	.	H	α-helix	trans	-75.4	-45.2	172	-59.8	173.8	0	0	0	109.3	F508 I515 A516 P517 G521 Y522 Y525 V529	F508-I519 HydrophobicContact CD2-CG2 3.95Å; F508-I519 WeakPolarHBondContact CD2-O 3.24Å; F508-I519 HydrophobicContact CE2-CG2 4.38Å; F508-I519 HydrophobicContact CG-CG2 4.3Å; I515-I519 HydrophobicContact CD1-CB 4.3Å; I515-I519 HydrophobicContact CD1-CG2 3.73Å; I515-I519 HydrophobicContact CG1-CB 3.98Å; I515-I519 HydrophobicContact CG1-CD1 4.05Å; I515-I519 HydrophobicContact CG1-CG2 3.92Å; A516-I519 HydrophobicContact CB-CD1 4.17Å; A516-I519 HydrophobicContact CB-CG1 4.26Å; A516-I519 WeakPolarHBondContact O-CB 3.26Å; A516-I519 PolarHBondContact O-N 3.36Å; P517-I519 PolarHBondContact O-N 3.01Å; I519-G521 VanDerWaalsContact C-N 3.28Å; I519-G521 PolarHBondContact O-N 3.47Å; I519-Y522 PolarHBondContact O-N 3.43Å; I519-Y525 HydrophobicContact CG1-CD1 3.84Å; I519-Y525 HydrophobicContact CG1-CE1 3.76Å; I519-Y525 HydrophobicContact CG1-CE2 4.5Å; I519-Y525 HydrophobicContact CG1-CG 4.26Å; I519-V529 HydrophobicContact CD1-CB 3.99Å; I519-V529 HydrophobicContact CD1-CG1 3.86Å; I519-V529 HydrophobicContact CD1-CG2 4.47Å; I519-V529 HydrophobicContact CG1-CG1 3.88Å
520	I	96.9	Very high	96.7	Very high	30 Å²	30	35.3 Å²	35.3	15%	0.154	19%	0.193	C	C	.	.	H	α-helix	trans	-57.9	-42.8	176.2	-59.6	171.7	0	0	0	110.9	I515 A516 P517 Y522 F557 I560	I515-I520 HydrophobicContact CG2-CD1 3.74Å; I515-I520 HydrophobicContact CG2-CG1 3.79Å; A516-I520 PolarHBondContact O-N 2.95Å; P517-I520 PolarHBondContact O-N 3.5Å; I520-Y522 WeakPolarHBondContact O-CD2 3.26Å; I520-Y522 PolarHBondContact O-N 2.94Å; I520-F557 HydrophobicContact CD1-CB 3.93Å; I520-F557 HydrophobicContact CD1-CD1 3.77Å; I520-F557 HydrophobicContact CD1-CG 4.01Å; I520-F557 HydrophobicContact CG1-CB 4.48Å; I520-F557 HydrophobicContact CG1-CD1 4.16Å; I520-F557 HydrophobicContact CG1-CG 4.26Å; I520-F557 HydrophobicContact CG2-CB 3.94Å; I520-F557 HydrophobicContact CG2-CG 4.3Å; I520-I560 HydrophobicContact CD1-CB 3.84Å; I520-I560 HydrophobicContact CD1-CD1 4.16Å; I520-I560 HydrophobicContact CD1-CG2 3.5Å; I520-I560 VanDerWaalsContact CD1-CG2 3.5Å
521	G	95.9	Very high	96.9	Very high	47 Å²	47	34.3 Å²	34.3	49%	0.485	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	2.9	176.9	0	0	0	0	0	115.2	P517 I519 E523	P517-G521 PolarHBondContact O-N 3.06Å; I519-G521 VanDerWaalsContact C-N 3.28Å; I519-G521 PolarHBondContact O-N 3.47Å; G521-E523 PolarHBondContact O-N 3.49Å
522	Y	96.2	Very high	97.1	Very high	147 Å²	147	33 Å²	33	58%	0.576	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.1	34.3	-173.2	-68.1	-90	0	0	0	113.2	R506 F508 I519 I520	R506-Y522 WeakPolarHBondContact CD-O 3.39Å; R506-Y522 VanDerWaalsContact CG-O 3.26Å; R506-Y522 WeakPolarHBondContact CG-O 3.3Å; F508-Y522 HydrophobicContact CB-CE1 3.94Å; F508-Y522 HydrophobicContact CD2-CE1 4Å; F508-Y522 HydrophobicContact CD2-CE2 4.35Å; F508-Y522 AromaticContact CD2-CZ 3.88Å; F508-Y522 HydrophobicContact CG-CE1 4.29Å; I519-Y522 PolarHBondContact O-N 3.43Å; I520-Y522 WeakPolarHBondContact O-CD2 3.26Å; I520-Y522 PolarHBondContact O-N 2.94Å
523	E	97	Very high	97.2	Very high	111 Å²	111	31.7 Å²	31.7	52%	0.519	17%	0.165	S	C	.	.			trans	-83.7	163.5	178.9	-59.6	-174.1	-173.4	0	0	111.6	E518 G521 Y525	E518-E523 HydrophobicContact CB-CB 4.17Å; E518-E523 WeakPolarHBondContact O-CB 3.07Å; E518-E523 PolarHBondContact O-N 3.26Å; G521-E523 PolarHBondContact O-N 3.49Å; E523-Y525 WeakPolarHBondContact O-CD1 3.21Å; E523-Y525 PolarHBondContact O-N 3.15Å
524	L	96.5	Very high	97.3	Very high	106 Å²	106	28.8 Å²	28.8	56%	0.555	15%	0.15	S	C	*	.			trans	-75.8	120.6	171.6	-74.8	169.8	0	0	0	110.3	K504 T505 R506	K504-L524 HydrophobicContact CB-CB 4.02Å; K504-L524 HydrophobicContact CB-CD2 4.27Å; K504-L524 HydrophobicContact CD-CB 3.81Å; K504-L524 WeakPolarHBondContact CD-O 3.43Å; K504-L524 PolarHBondContact NZ-O 3.2Å; T505-L524 WeakPolarHBondContact O-CA 3.45Å; R506-L524 HydrophobicContact CB-CD2 4.07Å
525	Y	96.6	Very high	97.4	Very high	3 Å²	3	28.2 Å²	28.2	1%	0.012	15%	0.148	C	C	.	.	B	Isolated β-bridge	trans	-125.3	161.2	-176.1	67.8	-100.4	0	0	0	112.8	I470 R472 K504 T505 T507 I519 E523 V529	I470-Y525 HydrophobicContact CD1-CD2 4.24Å; I470-Y525 HydrophobicContact CD1-CE2 3.88Å; R472-Y525 PolarHBondContact NH1-OH 3.35Å; R472-Y525 VanDerWaalsContact NH1-OH 3.1Å; K504-Y525 CarbonylContact C-O 3.6Å; K504-Y525 VanDerWaalsContact CA-O 3.28Å; K504-Y525 WeakPolarHBondContact CA-O 3.47Å; K504-Y525 VanDerWaalsContact CB-O 3.26Å; K504-Y525 WeakPolarHBondContact CB-O 3.29Å; T505-Y525 HydrophobicContact CG2-CD2 3.92Å; T505-Y525 HydrophobicContact CG2-CE1 4.18Å; T505-Y525 HydrophobicContact CG2-CE2 3.33Å; T505-Y525 VanDerWaalsContact CG2-CZ 3.48Å; T505-Y525 PolarHBondContact N-O 2.9Å; T505-Y525 WeakPolarHBondContact O-CD1 3.45Å; T505-Y525 PolarHBondContact O-N 3.45Å; T507-Y525 WeakPolarHBondContact O-CE1 3.22Å; T507-Y525 PolarHBondContact O-OH 3.15Å; I519-Y525 HydrophobicContact CG1-CD1 3.84Å; I519-Y525 HydrophobicContact CG1-CE1 3.76Å; I519-Y525 HydrophobicContact CG1-CE2 4.5Å; I519-Y525 HydrophobicContact CG1-CG 4.26Å; E523-Y525 WeakPolarHBondContact O-CD1 3.21Å; E523-Y525 PolarHBondContact O-N 3.15Å; Y525-V529 HydrophobicContact CD2-CB 4.39Å; Y525-V529 HydrophobicContact CD2-CG1 3.47Å; Y525-V529 VanDerWaalsContact CD2-CG1 3.47Å; Y525-V529 HydrophobicContact CD2-CG2 4Å; Y525-V529 HydrophobicContact CE2-CG1 4.22Å; Y525-V529 HydrophobicContact CE2-CG2 4.2Å; Y525-V529 HydrophobicContact CG-CG1 3.68Å
526	G	95.7	Very high	97.4	Very high	10 Å²	10	28 Å²	28	10%	0.103	15%	0.147	C	C	.	.			trans	-133.9	-143	175.8	0	0	0	0	0	109.7	S528 V529	G526-S528 PolarHBondContact O-N 2.9Å; G526-V529 WeakPolarHBondContact O-CG2 3.3Å; G526-V529 PolarHBondContact O-N 3.01Å
527	K	95.9	Very high	97.4	Very high	86 Å²	86	28 Å²	28	37%	0.374	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-8.7	-178.4	72.3	179.2	-176.7	178.6	0	115.8	H465 I470 V529 D530	H465-K527 HydrophobicContact CB-CD 4.09Å; I470-K527 VanDerWaalsContact CG2-CA 3.43Å; I470-K527 HydrophobicContact CG2-CB 3.78Å; K527-V529 PolarHBondContact O-N 3.27Å; K527-D530 PolarHBondContact O-N 3.06Å
528	S	96.5	Very high	97.5	Very high	12 Å²	12	27.2 Å²	27.2	8%	0.084	14%	0.141	C	C	.	.	H	α-helix	trans	-60.5	-32.4	179.4	57.4	0	0	0	0	113.3	E518 G526 D530 W531 W532 R590 C593	E518-S528 PolarHBondContact OE1-OG 2.64Å; G526-S528 PolarHBondContact O-N 2.9Å; S528-D530 VanDerWaalsContact C-N 3.29Å; S528-D530 PolarHBondContact O-N 3.19Å; S528-W531 PolarHBondContact O-N 3.45Å; S528-W531 VanDerWaalsContact O-N 3.16Å; S528-W532 PolarHBondContact O-N 2.9Å; S528-W532 VanDerWaalsContact O-N 3.17Å; S528-R590 VanDerWaalsContact C-NH1 3.27Å; S528-R590 PolarHBondContact O-NH1 2.84Å; S528-C593 VanDerWaalsContact CA-SG 3.57Å; S528-C593 WeakPolarHBondContact CB-SG 3.5Å
529	V	98	Very high	97.5	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-66.2	-32.7	-177.3	-57.3	0	0	0	0	112.2	R472 A516 E518 I519 Y525 G526 K527 W531 W532 S533	R472-V529 HydrophobicContact CG-CG2 4.15Å; A516-V529 HydrophobicContact CB-CB 3.87Å; A516-V529 HydrophobicContact CB-CG1 3.84Å; E518-V529 HydrophobicContact CG-CG1 3.87Å; E518-V529 WeakPolarHBondContact OE1-CG1 3.38Å; I519-V529 HydrophobicContact CD1-CB 3.99Å; I519-V529 HydrophobicContact CD1-CG1 3.86Å; I519-V529 HydrophobicContact CD1-CG2 4.47Å; I519-V529 HydrophobicContact CG1-CG1 3.88Å; Y525-V529 HydrophobicContact CD2-CB 4.39Å; Y525-V529 HydrophobicContact CD2-CG1 3.47Å; Y525-V529 VanDerWaalsContact CD2-CG1 3.47Å; Y525-V529 HydrophobicContact CD2-CG2 4Å; Y525-V529 HydrophobicContact CE2-CG1 4.22Å; Y525-V529 HydrophobicContact CE2-CG2 4.2Å; Y525-V529 HydrophobicContact CG-CG1 3.68Å; G526-V529 WeakPolarHBondContact O-CG2 3.3Å; G526-V529 PolarHBondContact O-N 3.01Å; K527-V529 PolarHBondContact O-N 3.27Å; V529-W531 VanDerWaalsContact C-N 3.32Å; V529-W531 PolarHBondContact O-N 2.97Å; V529-W532 WeakPolarHBondContact O-CB 3.34Å; V529-W532 PolarHBondContact O-N 3.47Å; V529-S533 PolarHBondContact O-N 2.94Å; V529-S533 PolarHBondContact O-OG 2.96Å
530	D	98.4	Very high	97.6	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-67.9	-35.5	175.7	-65.8	-20.1	0	0	0	110.7	L461 H465 I470 Y471 R472 K527 S528 S533 F534	L461-D530 HydrophobicContact CD2-CB 4.25Å; H465-D530 IonicContact CD2-OD2 3.49Å; H465-D530 IonicContact CE1-OD2 3.2Å; H465-D530 IonicContact NE2-OD2 2.91Å; H465-D530 PolarHBondContact NE2-OD2 2.79Å; I470-D530 WeakPolarHBondContact CA-OD2 3.21Å; Y471-D530 PolarHBondContact N-OD1 3.2Å; Y471-D530 PolarHBondContact N-OD2 2.91Å; R472-D530 PolarHBondContact N-OD1 3.4Å; K527-D530 PolarHBondContact O-N 3.06Å; S528-D530 VanDerWaalsContact C-N 3.29Å; S528-D530 PolarHBondContact O-N 3.19Å; D530-S533 PolarHBondContact O-N 3.43Å; D530-F534 WeakPolarHBondContact O-CB 3.48Å; D530-F534 PolarHBondContact O-N 2.95Å
531	W	98.4	Very high	97.6	Very high	3 Å²	3	26.9 Å²	26.9	1%	0.011	14%	0.138	C	C	.	.	H	α-helix	trans	-71.5	-29.8	176.1	-67.8	116.7	0	0	0	113.3	A458 L461 F462 H465 S528 V529 F534 G535 L582 G592 I601	A458-W531 HydrophobicContact CB-CH2 4.47Å; L461-W531 HydrophobicContact CB-CH2 4.37Å; L461-W531 HydrophobicContact CD1-CH2 4.43Å; L461-W531 HydrophobicContact CD1-CZ3 4.25Å; F462-W531 AromaticContact CD1-CH2 3.83Å; F462-W531 HydrophobicContact CD1-CH2 3.83Å; F462-W531 AromaticContact CD1-CZ2 3.76Å; F462-W531 HydrophobicContact CD1-CZ2 3.76Å; F462-W531 AromaticContact CE1-CH2 3.24Å; F462-W531 HydrophobicContact CE1-CH2 3.24Å; F462-W531 AromaticContact CE1-CZ2 3.4Å; F462-W531 HydrophobicContact CE1-CZ2 3.4Å; F462-W531 HydrophobicContact CE1-CZ3 4.45Å; F462-W531 AromaticContact CZ-CH2 3.88Å; F462-W531 HydrophobicContact CZ-CH2 3.88Å; F462-W531 HydrophobicContact CZ-CZ2 4.43Å; H465-W531 AromaticContact CE1-CE2 3.91Å; H465-W531 AromaticContact CE1-NE1 3.58Å; H465-W531 AromaticContact ND1-NE1 3.66Å; S528-W531 PolarHBondContact O-N 3.45Å; S528-W531 VanDerWaalsContact O-N 3.16Å; V529-W531 VanDerWaalsContact C-N 3.32Å; V529-W531 PolarHBondContact O-N 2.97Å; W531-F534 HydrophobicContact CE3-CB 4.19Å; W531-F534 AromaticContact CE3-CD1 3.83Å; W531-F534 HydrophobicContact CE3-CD1 3.83Å; W531-F534 HydrophobicContact CE3-CE1 4.45Å; W531-F534 HydrophobicContact CE3-CG 4.07Å; W531-F534 AromaticContact CZ3-CD1 3.92Å; W531-F534 HydrophobicContact CZ3-CD1 3.92Å; W531-F534 HydrophobicContact CZ3-CE1 4.15Å; W531-F534 HydrophobicContact CZ3-CG 4.13Å; W531-G535 PolarHBondContact O-N 2.88Å; W531-L582 HydrophobicContact CB-CD2 4.24Å; W531-L582 HydrophobicContact CE3-CD2 4.15Å; W531-G592 PolarHBondContact NE1-O 2.8Å; W531-I601 HydrophobicContact CE3-CD1 4.01Å; W531-I601 HydrophobicContact CE3-CG1 4.36Å; W531-I601 HydrophobicContact CH2-CG1 4.19Å; W531-I601 HydrophobicContact CZ3-CD1 4.02Å; W531-I601 HydrophobicContact CZ3-CG1 4.07Å; W531-I601 HydrophobicContact CZ3-CG2 4.36Å
532	W	98.7	Very high	97.8	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-65.5	-52.9	169	175	-83.9	0	0	0	110.7	Y514 I515 A516 P517 S528 V529 F534 G535 V536 F548 I560 L583 R585	Y514-W532 VanDerWaalsContact O-CD1 3.32Å; I515-W532 PolarHBondContact O-NE1 2.8Å; A516-W532 VanDerWaalsContact CA-CD1 3.48Å; A516-W532 HydrophobicContact CB-CB 3.88Å; A516-W532 HydrophobicContact CB-CG 3.82Å; P517-W532 VanDerWaalsContact CD-CD2 3.44Å; P517-W532 VanDerWaalsContact CD-CE2 3.5Å; P517-W532 HydrophobicContact CG-CD2 4.37Å; P517-W532 HydrophobicContact CG-CE3 4Å; P517-W532 HydrophobicContact CG-CH2 3.97Å; P517-W532 HydrophobicContact CG-CZ2 4.35Å; P517-W532 HydrophobicContact CG-CZ3 3.78Å; S528-W532 PolarHBondContact O-N 2.9Å; S528-W532 VanDerWaalsContact O-N 3.17Å; V529-W532 WeakPolarHBondContact O-CB 3.34Å; V529-W532 PolarHBondContact O-N 3.47Å; W532-F534 PolarHBondContact O-N 2.89Å; W532-G535 CarbonylContact O-C 3.35Å; W532-G535 WeakPolarHBondContact O-CA 3.18Å; W532-G535 PolarHBondContact O-N 3.29Å; W532-V536 PolarHBondContact O-N 2.93Å; W532-F548 AromaticContact CH2-CE2 3.98Å; W532-F548 HydrophobicContact CH2-CE2 3.98Å; W532-F548 HydrophobicContact CH2-CZ 4.08Å; W532-F548 HydrophobicContact CZ2-CD2 4.4Å; W532-F548 AromaticContact CZ2-CE2 3.53Å; W532-F548 HydrophobicContact CZ2-CE2 3.53Å; W532-F548 HydrophobicContact CZ2-CZ 4.1Å; W532-I560 HydrophobicContact CH2-CG2 4.49Å; W532-I560 HydrophobicContact CZ2-CG2 3.79Å; W532-L583 HydrophobicContact CD2-CD2 4.23Å; W532-L583 HydrophobicContact CE3-CD2 4.36Å; W532-L583 HydrophobicContact CZ2-CD2 4.41Å; W532-L583 HydrophobicContact CZ3-CB 4.38Å; W532-R585 HydrophobicContact CH2-CG 4.37Å; W532-R585 HydrophobicContact CZ3-CG 4.23Å
533	S	98.6	Very high	97.8	Very high	6 Å²	6	19 Å²	19	4%	0.042	10%	0.098	C	C	.	.	H	α-helix	trans	-58.1	-38.3	178.9	-47.9	0	0	0	0	111	Y514 V529 D530 V536 L537	Y514-S533 PolarHBondContact O-OG 3.04Å; V529-S533 PolarHBondContact O-N 2.94Å; V529-S533 PolarHBondContact O-OG 2.96Å; D530-S533 PolarHBondContact O-N 3.43Å; S533-V536 PolarHBondContact O-N 3.13Å; S533-L537 WeakPolarHBondContact O-CB 3.36Å; S533-L537 PolarHBondContact O-N 2.95Å
534	F	98.8	Very high	97.8	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-62.9	-39.5	172.3	-177.1	-99.7	0	0	0	112.4	S454 I457 A458 L461 L474 D530 W531 W532 L537 V538 L582 Y607	S454-F534 VanDerWaalsContact O-CE2 3.23Å; S454-F534 WeakPolarHBondContact O-CE2 3.3Å; S454-F534 VanDerWaalsContact O-CZ 3.28Å; S454-F534 WeakPolarHBondContact O-CZ 3.46Å; I457-F534 HydrophobicContact CB-CD2 4.5Å; I457-F534 HydrophobicContact CB-CE2 4.06Å; I457-F534 HydrophobicContact CG2-CD2 3.77Å; I457-F534 HydrophobicContact CG2-CE2 3.82Å; A458-F534 HydrophobicContact CB-CE2 4.16Å; A458-F534 HydrophobicContact CB-CZ 4.03Å; L461-F534 HydrophobicContact CD1-CB 4.26Å; L461-F534 HydrophobicContact CD1-CD2 3.95Å; L461-F534 HydrophobicContact CD1-CG 4.35Å; L474-F534 HydrophobicContact CD2-CB 3.83Å; L474-F534 HydrophobicContact CD2-CD2 4.14Å; D530-F534 WeakPolarHBondContact O-CB 3.48Å; D530-F534 PolarHBondContact O-N 2.95Å; W531-F534 HydrophobicContact CE3-CB 4.19Å; W531-F534 AromaticContact CE3-CD1 3.83Å; W531-F534 HydrophobicContact CE3-CD1 3.83Å; W531-F534 HydrophobicContact CE3-CE1 4.45Å; W531-F534 HydrophobicContact CE3-CG 4.07Å; W531-F534 AromaticContact CZ3-CD1 3.92Å; W531-F534 HydrophobicContact CZ3-CD1 3.92Å; W531-F534 HydrophobicContact CZ3-CE1 4.15Å; W531-F534 HydrophobicContact CZ3-CG 4.13Å; W532-F534 PolarHBondContact O-N 2.89Å; F534-L537 PolarHBondContact O-N 2.89Å; F534-V538 HydrophobicContact CD1-CG2 4.24Å; F534-V538 HydrophobicContact CE1-CG2 3.91Å; F534-V538 HydrophobicContact CE2-CG2 4.38Å; F534-V538 HydrophobicContact CZ-CG2 3.99Å; F534-V538 WeakPolarHBondContact O-CB 3.18Å; F534-V538 VanDerWaalsContact O-CG2 3.27Å; F534-V538 WeakPolarHBondContact O-CG2 3.36Å; F534-V538 PolarHBondContact O-N 3.11Å; F534-L582 HydrophobicContact CD1-CD1 3.64Å; F534-L582 HydrophobicContact CD1-CD2 4.06Å; F534-L582 HydrophobicContact CE1-CD1 3.96Å; F534-Y607 VanDerWaalsContact CZ-OH 3.28Å; F534-Y607 WeakPolarHBondContact CZ-OH 3.29Å
535	G	98.6	Very high	97.8	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-63.1	-41.7	173.2	0	0	0	0	0	113.4	W531 W532 Y539	W531-G535 PolarHBondContact O-N 2.88Å; W532-G535 CarbonylContact O-C 3.35Å; W532-G535 WeakPolarHBondContact O-CA 3.18Å; W532-G535 PolarHBondContact O-N 3.29Å; G535-Y539 WeakPolarHBondContact O-CB 3.45Å; G535-Y539 PolarHBondContact O-N 3.08Å
536	V	98.7	Very high	97.8	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-62.1	-49.5	173.7	172.9	0	0	0	0	110	Y514 W532 S533 V538 Y539 E540 P547 L583	Y514-V536 HydrophobicContact CD1-CB 3.9Å; Y514-V536 HydrophobicContact CD1-CG1 3.41Å; Y514-V536 VanDerWaalsContact CD1-CG1 3.41Å; Y514-V536 HydrophobicContact CE1-CB 4.48Å; Y514-V536 HydrophobicContact CE1-CG1 3.72Å; Y514-V536 HydrophobicContact CG-CG1 4.07Å; W532-V536 PolarHBondContact O-N 2.93Å; S533-V536 PolarHBondContact O-N 3.13Å; V536-V538 PolarHBondContact O-N 3.31Å; V536-Y539 WeakPolarHBondContact O-CB 3.38Å; V536-Y539 PolarHBondContact O-N 3.16Å; V536-E540 WeakPolarHBondContact O-CB 3.41Å; V536-E540 PolarHBondContact O-N 3.37Å; V536-P547 HydrophobicContact CB-CG 4.49Å; V536-P547 HydrophobicContact CG1-CG 4.34Å; V536-P547 HydrophobicContact CG2-CG 4.1Å; V536-L583 HydrophobicContact CG2-CD2 3.87Å
537	L	98.3	Very high	97.9	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-59.7	-45.4	179.8	-167.8	160	0	0	0	112.1	I457 L474 L476 I479 Y514 S533 F534 E540 M541	I457-L537 HydrophobicContact CD1-CD1 4.17Å; I457-L537 HydrophobicContact CD1-CD2 3.73Å; L474-L537 HydrophobicContact CD1-CD1 4.41Å; L474-L537 HydrophobicContact CD2-CD1 4.06Å; L474-L537 HydrophobicContact CG-CD1 3.78Å; L476-L537 HydrophobicContact CD2-CD1 4.23Å; L476-L537 HydrophobicContact CD2-CD2 3.66Å; L476-L537 HydrophobicContact CD2-CG 3.64Å; L476-L537 HydrophobicContact CG-CG 4.18Å; I479-L537 HydrophobicContact CG1-CD1 4.13Å; Y514-L537 HydrophobicContact CE1-CB 4.31Å; S533-L537 WeakPolarHBondContact O-CB 3.36Å; S533-L537 PolarHBondContact O-N 2.95Å; F534-L537 PolarHBondContact O-N 2.89Å; L537-E540 PolarHBondContact O-N 3.31Å; L537-M541 HydrophobicContact CD2-CE 3.53Å; L537-M541 HydrophobicContact CD2-CG 4.2Å; L537-M541 HydrophobicContact CD2-SD 3.91Å; L537-M541 WeakPolarHBondContact O-CG 3.36Å; L537-M541 PolarHBondContact O-N 2.93Å
538	V	98.6	Very high	98	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-64.9	-41.4	176.1	172.8	0	0	0	0	111.7	F534 V536 M541 L542 L578 F606	F534-V538 HydrophobicContact CD1-CG2 4.24Å; F534-V538 HydrophobicContact CE1-CG2 3.91Å; F534-V538 HydrophobicContact CE2-CG2 4.38Å; F534-V538 HydrophobicContact CZ-CG2 3.99Å; F534-V538 WeakPolarHBondContact O-CB 3.18Å; F534-V538 VanDerWaalsContact O-CG2 3.27Å; F534-V538 WeakPolarHBondContact O-CG2 3.36Å; F534-V538 PolarHBondContact O-N 3.11Å; V536-V538 PolarHBondContact O-N 3.31Å; V538-M541 HydrophobicContact CG2-CE 4.2Å; V538-L542 HydrophobicContact CG1-CD1 3.82Å; V538-L542 WeakPolarHBondContact O-CD1 2.81Å; V538-L542 VanDerWaalsContact O-CG 3.31Å; V538-L542 WeakPolarHBondContact O-CG 3.21Å; V538-L542 PolarHBondContact O-N 3.02Å; V538-L578 HydrophobicContact CG1-CD2 4.01Å; V538-F606 HydrophobicContact CG1-CE1 4.4Å; V538-F606 HydrophobicContact CG1-CZ 4.41Å
539	Y	98.7	Very high	97.9	Very high	18 Å²	18	18 Å²	18	7%	0.071	10%	0.104	C	C	.	.	H	α-helix	trans	-59.6	-49.7	175.5	-179.4	-79.4	0	0	0	110.4	G535 V536 M541 L542 A543 L545 P547 V565 A566 Y567 M571	G535-Y539 WeakPolarHBondContact O-CB 3.45Å; G535-Y539 PolarHBondContact O-N 3.08Å; V536-Y539 WeakPolarHBondContact O-CB 3.38Å; V536-Y539 PolarHBondContact O-N 3.16Å; Y539-M541 PolarHBondContact O-N 3.44Å; Y539-L542 CarbonylContact O-C 3.56Å; Y539-L542 PolarHBondContact O-N 3.01Å; Y539-A543 HydrophobicContact CD1-CB 3.81Å; Y539-A543 HydrophobicContact CE1-CB 3.41Å; Y539-A543 VanDerWaalsContact CE1-CB 3.41Å; Y539-A543 VanDerWaalsContact O-CB 3.25Å; Y539-A543 WeakPolarHBondContact O-CB 3.44Å; Y539-A543 PolarHBondContact O-N 3.46Å; Y539-L545 VanDerWaalsContact CD1-O 3.29Å; Y539-L545 WeakPolarHBondContact CD1-O 3.42Å; Y539-L545 VanDerWaalsContact CE1-O 3.29Å; Y539-L545 WeakPolarHBondContact CE1-O 3.44Å; Y539-P547 HydrophobicContact CD1-CB 3.68Å; Y539-P547 HydrophobicContact CD1-CG 4.09Å; Y539-P547 HydrophobicContact CD2-CB 4Å; Y539-P547 VanDerWaalsContact CE1-CA 3.44Å; Y539-P547 HydrophobicContact CE1-CB 3.78Å; Y539-P547 HydrophobicContact CE2-CB 4.06Å; Y539-P547 HydrophobicContact CG-CB 3.81Å; Y539-P547 HydrophobicContact CG-CG 4.18Å; Y539-V565 HydrophobicContact CD2-CG1 4.1Å; Y539-V565 HydrophobicContact CE2-CG1 3.68Å; Y539-A566 VanDerWaalsContact CE2-O 3.31Å; Y539-A566 WeakPolarHBondContact CE2-O 3.45Å; Y539-A566 PolarHBondContact OH-O 3.5Å; Y539-Y567 HydrophobicContact CD2-CD1 4.37Å; Y539-Y567 HydrophobicContact CD2-CE1 4.2Å; Y539-Y567 HydrophobicContact CE2-CD1 4.09Å; Y539-Y567 HydrophobicContact CE2-CE1 4.23Å; Y539-M571 HydrophobicContact CE2-SD 4.46Å
540	E	98.1	Very high	97.8	Very high	15 Å²	15	19.7 Å²	19.7	7%	0.07	12%	0.121	C	C	.	.	H	α-helix	trans	-61.1	-44.6	-178.5	-173.9	176.4	-165.5	0	0	111.8	I439 L476 Y514 V536 L537 L542 A543 G544 L545	I439-E540 HydrophobicContact CD1-CG 4.27Å; I439-E540 WeakPolarHBondContact CD1-O 3.19Å; L476-E540 HydrophobicContact CD1-CG 3.94Å; Y514-E540 WeakPolarHBondContact CE1-OE2 3.24Å; Y514-E540 VanDerWaalsContact CZ-OE2 3.23Å; Y514-E540 PolarHBondContact OH-OE2 2.89Å; V536-E540 WeakPolarHBondContact O-CB 3.41Å; V536-E540 PolarHBondContact O-N 3.37Å; L537-E540 PolarHBondContact O-N 3.31Å; E540-L542 PolarHBondContact O-N 2.6Å; E540-A543 PolarHBondContact O-N 3.03Å; E540-G544 VanDerWaalsContact O-CA 3.26Å; E540-G544 WeakPolarHBondContact O-CA 3.12Å; E540-G544 PolarHBondContact O-N 3.22Å; E540-L545 WeakPolarHBondContact CA-O 3.42Å
541	M	98.4	Very high	97.7	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-54	-37.4	173.1	-74.4	-166.9	-61.5	0	0	113.2	L435 F445 A450 L476 L537 V538 Y539	L435-M541 HydrophobicContact CD1-SD 4.44Å; F445-M541 WeakPolarHBondContact CB-O 3.17Å; F445-M541 HydrophobicContact CD2-CB 3.83Å; F445-M541 HydrophobicContact CD2-CG 3.66Å; F445-M541 HydrophobicContact CD2-SD 3.77Å; F445-M541 HydrophobicContact CE2-CB 4.49Å; F445-M541 HydrophobicContact CE2-CG 3.86Å; F445-M541 HydrophobicContact CE2-SD 3.89Å; F445-M541 PolarHBondContact N-O 2.85Å; A450-M541 HydrophobicContact CB-CB 4.02Å; A450-M541 HydrophobicContact CB-CE 4.3Å; L476-M541 HydrophobicContact CD2-CG 3.93Å; L476-M541 HydrophobicContact CD2-SD 4.36Å; L537-M541 HydrophobicContact CD2-CE 3.53Å; L537-M541 HydrophobicContact CD2-CG 4.2Å; L537-M541 HydrophobicContact CD2-SD 3.91Å; L537-M541 WeakPolarHBondContact O-CG 3.36Å; L537-M541 PolarHBondContact O-N 2.93Å; V538-M541 HydrophobicContact CG2-CE 4.2Å; Y539-M541 PolarHBondContact O-N 3.44Å
542	L	98.2	Very high	97.6	Very high	7 Å²	7	32.6 Å²	32.6	4%	0.037	19%	0.185	C	C	.	.	H	α-helix	trans	-91.1	-28.4	-174.6	-67.3	167.4	0	0	0	113.7	E447 A450 V538 Y539 E540 H570 M571 A575 F606	E447-L542 HydrophobicContact CB-CD2 4.25Å; A450-L542 HydrophobicContact CB-CD2 3.55Å; A450-L542 HydrophobicContact CB-CG 3.93Å; V538-L542 HydrophobicContact CG1-CD1 3.82Å; V538-L542 WeakPolarHBondContact O-CD1 2.81Å; V538-L542 VanDerWaalsContact O-CG 3.31Å; V538-L542 WeakPolarHBondContact O-CG 3.21Å; V538-L542 PolarHBondContact O-N 3.02Å; Y539-L542 CarbonylContact O-C 3.56Å; Y539-L542 PolarHBondContact O-N 3.01Å; E540-L542 PolarHBondContact O-N 2.6Å; L542-H570 PolarHBondContact O-NE2 3.28Å; L542-M571 HydrophobicContact CB-CE 3.99Å; L542-M571 HydrophobicContact CB-CG 4.29Å; L542-M571 HydrophobicContact CB-SD 4.4Å; L542-M571 HydrophobicContact CD1-CE 3.86Å; L542-A575 HydrophobicContact CD1-CB 3.76Å; L542-F606 HydrophobicContact CD1-CE2 4.06Å; L542-F606 HydrophobicContact CD1-CZ 4Å; L542-F606 HydrophobicContact CD2-CZ 4.45Å
543	A	97.5	Very high	97.4	Very high	23 Å²	23	38.3 Å²	38.3	19%	0.19	21%	0.211	C	C	.	.	H	α-helix	trans	-98.9	-27.7	-176.7	0	0	0	0	0	112.6	Y539 E540 L545 P568	Y539-A543 HydrophobicContact CD1-CB 3.81Å; Y539-A543 HydrophobicContact CE1-CB 3.41Å; Y539-A543 VanDerWaalsContact CE1-CB 3.41Å; Y539-A543 VanDerWaalsContact O-CB 3.25Å; Y539-A543 WeakPolarHBondContact O-CB 3.44Å; Y539-A543 PolarHBondContact O-N 3.46Å; E540-A543 PolarHBondContact O-N 3.03Å; A543-L545 VanDerWaalsContact C-N 3.35Å; A543-P568 HydrophobicContact CB-CG 4.13Å
544	G	96.3	Very high	97.4	Very high	18 Å²	18	44.9 Å²	44.9	19%	0.186	24%	0.241	C	C	.	.	S	Bend	trans	89.5	-6.5	-173.9	0	0	0	0	0	114.7	G443 E540	G443-G544 WeakPolarHBondContact O-CA 3.37Å; E540-G544 VanDerWaalsContact O-CA 3.26Å; E540-G544 WeakPolarHBondContact O-CA 3.12Å; E540-G544 PolarHBondContact O-N 3.22Å
545	L	95.9	Very high	97.3	Very high	125 Å²	125	47.8 Å²	47.8	65%	0.654	26%	0.255	S	S	*	.	S	Bend	trans	-146.5	155.1	-177.5	-68.4	173.1	0	0	0	109.4	Y539 E540 A543	Y539-L545 VanDerWaalsContact CD1-O 3.29Å; Y539-L545 WeakPolarHBondContact CD1-O 3.42Å; Y539-L545 VanDerWaalsContact CE1-O 3.29Å; Y539-L545 WeakPolarHBondContact CE1-O 3.44Å; E540-L545 WeakPolarHBondContact CA-O 3.42Å; A543-L545 VanDerWaalsContact C-N 3.35Å
546	P	97	Very high	97.3	Very high	34 Å²	34	48.4 Å²	48.4	22%	0.221	26%	0.258	C	S	.	.			trans	-62.2	157.4	174.9	26.7	-35	0	0	0	112	F548	P546-F548 VanDerWaalsContact C-N 3.28Å; P546-F548 PolarHBondContact O-N 3.13Å
547	P	97.5	Very high	97.3	Very high	13 Å²	13	50.2 Å²	50.2	8%	0.084	27%	0.266	C	S	.	.	S	Bend	trans	-74.5	-14.4	-177.8	27.6	-30.8	0	0	0	114.5	V536 Y539 V565 L583	V536-P547 HydrophobicContact CB-CG 4.49Å; V536-P547 HydrophobicContact CG1-CG 4.34Å; V536-P547 HydrophobicContact CG2-CG 4.1Å; Y539-P547 HydrophobicContact CD1-CB 3.68Å; Y539-P547 HydrophobicContact CD1-CG 4.09Å; Y539-P547 HydrophobicContact CD2-CB 4Å; Y539-P547 VanDerWaalsContact CE1-CA 3.44Å; Y539-P547 HydrophobicContact CE1-CB 3.78Å; Y539-P547 HydrophobicContact CE2-CB 4.06Å; Y539-P547 HydrophobicContact CG-CB 3.81Å; Y539-P547 HydrophobicContact CG-CG 4.18Å; P547-V565 HydrophobicContact CB-CG1 3.85Å; P547-V565 HydrophobicContact CB-CG2 4.47Å; P547-L583 HydrophobicContact CB-CD1 4.28Å; P547-L583 HydrophobicContact CG-CD1 4.19Å
548	F	97.9	Very high	97.2	Very high	2 Å²	2	57.6 Å²	57.6	1%	0.009	29%	0.294	C	S	.	.			trans	-131.9	141.1	179.5	-52.5	-74.2	0	0	0	108.8	W532 P546 L556 I560 Q563 V565	W532-F548 AromaticContact CH2-CE2 3.98Å; W532-F548 HydrophobicContact CH2-CE2 3.98Å; W532-F548 HydrophobicContact CH2-CZ 4.08Å; W532-F548 HydrophobicContact CZ2-CD2 4.4Å; W532-F548 AromaticContact CZ2-CE2 3.53Å; W532-F548 HydrophobicContact CZ2-CE2 3.53Å; W532-F548 HydrophobicContact CZ2-CZ 4.1Å; P546-F548 VanDerWaalsContact C-N 3.28Å; P546-F548 PolarHBondContact O-N 3.13Å; F548-L556 HydrophobicContact CB-CD1 4.09Å; F548-I560 HydrophobicContact CB-CG1 3.89Å; F548-I560 HydrophobicContact CD2-CG1 3.76Å; F548-I560 HydrophobicContact CE2-CG1 4.48Å; F548-I560 HydrophobicContact CG-CG1 3.85Å; F548-Q563 HydrophobicContact CD1-CB 4.48Å; F548-V565 HydrophobicContact CE1-CG2 3.78Å; F548-V565 HydrophobicContact CE2-CG2 4.23Å; F548-V565 HydrophobicContact CZ-CG2 3.4Å; F548-V565 VanDerWaalsContact CZ-CG2 3.4Å
549	D	95.4	Very high	97.2	Very high	115 Å²	115	58.9 Å²	58.9	62%	0.615	30%	0.3	S	S	*	.			trans	-135.3	170.2	173.3	61.1	-5.3	0	0	0	109.9	N559	D549-N559 PolarHBondContact O-ND2 3.48Å
550	G	95.8	Very high	97.2	Very high	34 Å²	34	58 Å²	58	35%	0.351	30%	0.297	S	S	.	.			trans	-167.2	155.9	175.4	0	0	0	0	0	110.3	D552	G550-D552 VanDerWaalsContact C-N 3.26Å
551	E	95.5	Very high	97.1	Very high	185 Å²	185	59.7 Å²	59.7	86%	0.864	31%	0.313	S	S	*	.	S	Bend	trans	-69.1	-28.4	175.5	-64.3	-177.1	176	0	0	111.7	E555	E551-E555 VanDerWaalsContact CB-OE2 3.3Å; E551-E555 WeakPolarHBondContact CB-OE2 3.21Å; E551-E555 WeakPolarHBondContact CG-OE2 3.49Å; E551-E555 PolarHBondContact N-OE2 3.04Å
552	D	97.2	Very high	96.9	Very high	90 Å²	90	63.4 Å²	63.4	48%	0.481	34%	0.339	S	S	.	.	S	Bend	trans	-141.6	174.2	173.8	62.7	43.7	0	0	0	112	G550 E554 E555 L556	G550-D552 VanDerWaalsContact C-N 3.26Å; D552-E554 VanDerWaalsContact C-N 3.28Å; D552-E554 PolarHBondContact O-N 3.18Å; D552-E554 WeakPolarHBondContact OD1-CA 3.42Å; D552-E554 WeakPolarHBondContact OD1-CB 3.21Å; D552-E554 PolarHBondContact OD1-N 3.04Å; D552-E555 PolarHBondContact O-N 3.3Å; D552-E555 PolarHBondContact OD1-N 3.24Å; D552-L556 WeakPolarHBondContact O-CB 3.48Å; D552-L556 PolarHBondContact O-N 3.14Å
553	E	95.4	Very high	96.8	Very high	119 Å²	119	66.7 Å²	66.7	56%	0.556	36%	0.355	S	S	*	.	H	α-helix	trans	-62.3	-32.4	-179.8	-70.5	-173.6	133.4	0	0	112.8	L556 F557	E553-L556 PolarHBondContact O-N 3.27Å; E553-F557 HydrophobicContact CB-CE2 4.27Å; E553-F557 HydrophobicContact CB-CZ 4.38Å; E553-F557 WeakPolarHBondContact O-CB 3.48Å; E553-F557 VanDerWaalsContact O-CD2 3.29Å; E553-F557 WeakPolarHBondContact O-CD2 3.26Å; E553-F557 WeakPolarHBondContact O-CG 3.19Å; E553-F557 PolarHBondContact O-N 2.9Å
554	E	96.8	Very high	96.7	Very high	144 Å²	144	72.2 Å²	72.2	67%	0.673	38%	0.381	S	S	*	.	H	α-helix	trans	-70.9	-40.2	-179.9	-64.6	-172.7	179.6	0	0	111.4	D552 R558	D552-E554 VanDerWaalsContact C-N 3.28Å; D552-E554 PolarHBondContact O-N 3.18Å; D552-E554 WeakPolarHBondContact OD1-CA 3.42Å; D552-E554 WeakPolarHBondContact OD1-CB 3.21Å; D552-E554 PolarHBondContact OD1-N 3.04Å; E554-R558 WeakPolarHBondContact O-CB 3.41Å; E554-R558 PolarHBondContact O-N 3.46Å; E554-R558 VanDerWaalsContact O-N 3.08Å
555	E	97.9	Very high	96.7	Very high	62 Å²	62	72.5 Å²	72.5	29%	0.29	38%	0.379	S	S	.	.	H	α-helix	trans	-65.8	-46.3	172.2	-172.4	176.5	-164.3	0	0	111.2	E551 D552 F557 R558 N559	E551-E555 VanDerWaalsContact CB-OE2 3.3Å; E551-E555 WeakPolarHBondContact CB-OE2 3.21Å; E551-E555 WeakPolarHBondContact CG-OE2 3.49Å; E551-E555 PolarHBondContact N-OE2 3.04Å; D552-E555 PolarHBondContact O-N 3.3Å; D552-E555 PolarHBondContact OD1-N 3.24Å; E555-F557 VanDerWaalsContact C-N 3.34Å; E555-F557 PolarHBondContact O-N 2.93Å; E555-R558 WeakPolarHBondContact O-CB 3.45Å; E555-R558 PolarHBondContact O-N 2.87Å; E555-R558 VanDerWaalsContact O-N 3.15Å; E555-N559 WeakPolarHBondContact O-CB 3.44Å; E555-N559 PolarHBondContact O-N 3.26Å
556	L	98.2	Very high	96.7	Very high	13 Å²	13	70 Å²	70	7%	0.068	38%	0.376	C	S	.	.	H	α-helix	trans	-55.7	-49.1	176.5	176.2	61.1	0	0	0	111.1	P512 F548 D552 E553 R558 N559 I560	P512-L556 HydrophobicContact CB-CD2 3.83Å; F548-L556 HydrophobicContact CB-CD1 4.09Å; D552-L556 WeakPolarHBondContact O-CB 3.48Å; D552-L556 PolarHBondContact O-N 3.14Å; E553-L556 PolarHBondContact O-N 3.27Å; L556-R558 VanDerWaalsContact C-N 3.32Å; L556-R558 PolarHBondContact O-N 3.49Å; L556-N559 PolarHBondContact O-N 3.46Å; L556-N559 VanDerWaalsContact O-N 3.17Å; L556-I560 HydrophobicContact CD1-CD1 4.11Å; L556-I560 HydrophobicContact CD1-CG1 4.36Å; L556-I560 HydrophobicContact CG-CD1 4.02Å; L556-I560 WeakPolarHBondContact O-CG1 3.2Å; L556-I560 PolarHBondContact O-N 2.88Å
557	F	98.1	Very high	96.6	Very high	38 Å²	38	70.8 Å²	70.8	17%	0.167	38%	0.375	C	S	.	.	H	α-helix	trans	-64.2	-36.4	179.5	-67.8	-16.2	0	0	0	112.7	F508 P512 I515 I520 E553 E555 N559 I560 A561	F508-F557 HydrophobicContact CZ-CE2 4.07Å; F508-F557 HydrophobicContact CZ-CZ 4.13Å; P512-F557 HydrophobicContact CB-CE1 4Å; P512-F557 HydrophobicContact CB-CZ 4.41Å; I515-F557 HydrophobicContact CG2-CD1 4.17Å; I515-F557 HydrophobicContact CG2-CE1 3.9Å; I520-F557 HydrophobicContact CD1-CB 3.93Å; I520-F557 HydrophobicContact CD1-CD1 3.77Å; I520-F557 HydrophobicContact CD1-CG 4.01Å; I520-F557 HydrophobicContact CG1-CB 4.48Å; I520-F557 HydrophobicContact CG1-CD1 4.16Å; I520-F557 HydrophobicContact CG1-CG 4.26Å; I520-F557 HydrophobicContact CG2-CB 3.94Å; I520-F557 HydrophobicContact CG2-CG 4.3Å; E553-F557 HydrophobicContact CB-CE2 4.27Å; E553-F557 HydrophobicContact CB-CZ 4.38Å; E553-F557 WeakPolarHBondContact O-CB 3.48Å; E553-F557 VanDerWaalsContact O-CD2 3.29Å; E553-F557 WeakPolarHBondContact O-CD2 3.26Å; E553-F557 WeakPolarHBondContact O-CG 3.19Å; E553-F557 PolarHBondContact O-N 2.9Å; E555-F557 VanDerWaalsContact C-N 3.34Å; E555-F557 PolarHBondContact O-N 2.93Å; F557-N559 VanDerWaalsContact C-N 3.34Å; F557-I560 HydrophobicContact CD1-CD1 4.4Å; F557-A561 VanDerWaalsContact O-CB 3.28Å; F557-A561 WeakPolarHBondContact O-CB 3.18Å; F557-A561 PolarHBondContact O-N 3.27Å
558	R	97.9	Very high	96.5	Very high	155 Å²	155	71.9 Å²	71.9	59%	0.585	38%	0.383	S	S	*	.	H	α-helix	trans	-64.6	-40.3	173.8	-168.7	-169.8	-40.5	-151.4	3.9	111.8	E554 E555 L556 A561 S562	E554-R558 WeakPolarHBondContact O-CB 3.41Å; E554-R558 PolarHBondContact O-N 3.46Å; E554-R558 VanDerWaalsContact O-N 3.08Å; E555-R558 WeakPolarHBondContact O-CB 3.45Å; E555-R558 PolarHBondContact O-N 2.87Å; E555-R558 VanDerWaalsContact O-N 3.15Å; L556-R558 VanDerWaalsContact C-N 3.32Å; L556-R558 PolarHBondContact O-N 3.49Å; R558-A561 PolarHBondContact O-N 2.91Å; R558-S562 PolarHBondContact O-N 2.89Å; R558-S562 PolarHBondContact O-OG 3.15Å
559	N	98.1	Very high	96.3	Very high	26 Å²	26	84 Å²	84	14%	0.139	43%	0.428	C	S	.	.	H	α-helix	trans	-67.9	-45	178.4	-76.5	-11.6	0	0	0	110.9	D549 E555 L556 F557 A561 S562 Q563 R585	D549-N559 PolarHBondContact O-ND2 3.48Å; E555-N559 WeakPolarHBondContact O-CB 3.44Å; E555-N559 PolarHBondContact O-N 3.26Å; L556-N559 PolarHBondContact O-N 3.46Å; L556-N559 VanDerWaalsContact O-N 3.17Å; F557-N559 VanDerWaalsContact C-N 3.34Å; N559-A561 VanDerWaalsContact C-N 3.28Å; N559-A561 PolarHBondContact O-N 3.45Å; N559-S562 PolarHBondContact O-N 3.07Å; N559-Q563 HydrophobicContact CB-CB 4.16Å; N559-Q563 VanDerWaalsContact CB-OE1 3.27Å; N559-Q563 WeakPolarHBondContact O-CB 3.16Å; N559-Q563 PolarHBondContact O-N 3.48Å; N559-R585 PolarHBondContact O-NH2 3.04Å
560	I	97.9	Very high	96.2	Very high	0 Å²	0	83.2 Å²	83.2	0%	0	42%	0.421	C	S	.	.	H	α-helix	trans	-55.4	-45.1	170.5	-70.5	169.6	0	0	0	110.8	P512 I515 P517 I520 W532 F548 L556 F557 S562 R585	P512-I560 WeakPolarHBondContact O-CD1 3.34Å; I515-I560 HydrophobicContact CG2-CD1 3.97Å; P517-I560 HydrophobicContact CB-CG2 4.23Å; I520-I560 HydrophobicContact CD1-CB 3.84Å; I520-I560 HydrophobicContact CD1-CD1 4.16Å; I520-I560 HydrophobicContact CD1-CG2 3.5Å; I520-I560 VanDerWaalsContact CD1-CG2 3.5Å; W532-I560 HydrophobicContact CH2-CG2 4.49Å; W532-I560 HydrophobicContact CZ2-CG2 3.79Å; F548-I560 HydrophobicContact CB-CG1 3.89Å; F548-I560 HydrophobicContact CD2-CG1 3.76Å; F548-I560 HydrophobicContact CE2-CG1 4.48Å; F548-I560 HydrophobicContact CG-CG1 3.85Å; L556-I560 HydrophobicContact CD1-CD1 4.11Å; L556-I560 HydrophobicContact CD1-CG1 4.36Å; L556-I560 HydrophobicContact CG-CD1 4.02Å; L556-I560 WeakPolarHBondContact O-CG1 3.2Å; L556-I560 PolarHBondContact O-N 2.88Å; F557-I560 HydrophobicContact CD1-CD1 4.4Å; I560-S562 PolarHBondContact O-N 3.17Å; I560-R585 PolarHBondContact O-NE 3.48Å; I560-R585 PolarHBondContact O-NH2 3.19Å
561	A	96.1	Very high	96.2	Very high	50 Å²	50	82.2 Å²	82.2	41%	0.413	41%	0.407	S	S	.	.	H	α-helix	trans	-71.3	-25.5	-177.4	0	0	0	0	0	114.5	F557 R558 N559 R585	F557-A561 VanDerWaalsContact O-CB 3.28Å; F557-A561 WeakPolarHBondContact O-CB 3.18Å; F557-A561 PolarHBondContact O-N 3.27Å; R558-A561 PolarHBondContact O-N 2.91Å; N559-A561 VanDerWaalsContact C-N 3.28Å; N559-A561 PolarHBondContact O-N 3.45Å; A561-R585 VanDerWaalsContact O-CD 3.25Å; A561-R585 WeakPolarHBondContact O-CD 3.36Å; A561-R585 PolarHBondContact O-NE 2.85Å
562	S	95.4	Very high	96.1	Very high	78 Å²	78	74.8 Å²	74.8	55%	0.545	38%	0.375	S	S	.	.	H	α-helix	trans	-139.6	-27.3	-168.1	68.4	0	0	0	0	117.9	R558 N559 I560	R558-S562 PolarHBondContact O-N 2.89Å; R558-S562 PolarHBondContact O-OG 3.15Å; N559-S562 PolarHBondContact O-N 3.07Å; I560-S562 PolarHBondContact O-N 3.17Å
563	Q	96.1	Very high	95.8	Very high	76 Å²	76	75.5 Å²	75.5	36%	0.355	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-73	138.7	-174.6	-170.3	-175.5	12.4	0	0	112.2	F548 N559 R585	F548-Q563 HydrophobicContact CD1-CB 4.48Å; N559-Q563 HydrophobicContact CB-CB 4.16Å; N559-Q563 VanDerWaalsContact CB-OE1 3.27Å; N559-Q563 WeakPolarHBondContact O-CB 3.16Å; N559-Q563 PolarHBondContact O-N 3.48Å; Q563-R585 PolarHBondContact O-NH1 3Å; Q563-R585 PolarHBondContact O-NH2 3.4Å
564	D	94.9	Very high	95.6	Very high	140 Å²	140	71.5 Å²	71.5	75%	0.749	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-74.2	135.3	172.4	-76.1	-34.2	0	0	0	111.6	A566	D564-A566 PolarHBondContact O-N 2.68Å
565	V	96.3	Very high	95.6	Very high	24 Å²	24	64.7 Å²	64.7	15%	0.145	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-68.1	122.4	178.3	-178.9	0	0	0	0	110.2	Y539 P547 F548 Y567 L583	Y539-V565 HydrophobicContact CD2-CG1 4.1Å; Y539-V565 HydrophobicContact CE2-CG1 3.68Å; P547-V565 HydrophobicContact CB-CG1 3.85Å; P547-V565 HydrophobicContact CB-CG2 4.47Å; F548-V565 HydrophobicContact CE1-CG2 3.78Å; F548-V565 HydrophobicContact CE2-CG2 4.23Å; F548-V565 HydrophobicContact CZ-CG2 3.4Å; F548-V565 VanDerWaalsContact CZ-CG2 3.4Å; V565-Y567 HydrophobicContact CB-CE2 3.92Å; V565-Y567 HydrophobicContact CG1-CD1 4.48Å; V565-Y567 HydrophobicContact CG1-CD2 4.47Å; V565-Y567 HydrophobicContact CG1-CE1 3.88Å; V565-Y567 HydrophobicContact CG1-CE2 3.88Å; V565-Y567 VanDerWaalsContact O-CD2 3.3Å; V565-Y567 WeakPolarHBondContact O-CD2 3.2Å; V565-Y567 WeakPolarHBondContact O-CE2 3.16Å; V565-L583 HydrophobicContact CG1-CD1 4.17Å; V565-L583 HydrophobicContact CG2-CB 4.39Å; V565-L583 HydrophobicContact CG2-CD1 3.98Å
566	A	96.1	Very high	95.6	Very high	72 Å²	72	62.6 Å²	62.6	60%	0.595	31%	0.313	S	S	*	.	P	Polyproline II helix	trans	-81.6	133.6	171.6	0	0	0	0	0	110.5	Y539 D564	Y539-A566 VanDerWaalsContact CE2-O 3.31Å; Y539-A566 WeakPolarHBondContact CE2-O 3.45Å; Y539-A566 PolarHBondContact OH-O 3.5Å; D564-A566 PolarHBondContact O-N 2.68Å
567	Y	95.5	Very high	95.3	Very high	50 Å²	50	64.2 Å²	64.2	20%	0.196	32%	0.321	C	S	.	.			trans	-111.5	117.9	179.7	-64.5	-83.9	0	0	0	110.6	Y539 V565 M571 C576 C579 R580	Y539-Y567 HydrophobicContact CD2-CD1 4.37Å; Y539-Y567 HydrophobicContact CD2-CE1 4.2Å; Y539-Y567 HydrophobicContact CE2-CD1 4.09Å; Y539-Y567 HydrophobicContact CE2-CE1 4.23Å; V565-Y567 HydrophobicContact CB-CE2 3.92Å; V565-Y567 HydrophobicContact CG1-CD1 4.48Å; V565-Y567 HydrophobicContact CG1-CD2 4.47Å; V565-Y567 HydrophobicContact CG1-CE1 3.88Å; V565-Y567 HydrophobicContact CG1-CE2 3.88Å; V565-Y567 VanDerWaalsContact O-CD2 3.3Å; V565-Y567 WeakPolarHBondContact O-CD2 3.2Å; V565-Y567 WeakPolarHBondContact O-CE2 3.16Å; Y567-M571 HydrophobicContact CD1-CE 4.35Å; Y567-M571 HydrophobicContact CD1-SD 4.41Å; Y567-C576 HydrophobicContact CD1-CB 4.23Å; Y567-C576 HydrophobicContact CG-CB 4.49Å; Y567-C579 HydrophobicContact CE1-CB 3.64Å; Y567-R580 HydrophobicContact CE1-CG 4.26Å; Y567-R580 HydrophobicContact CE2-CG 3.68Å; Y567-R580 VanDerWaalsContact CZ-CG 3.46Å; Y567-R580 WeakPolarHBondContact OH-CG 3.46Å; Y567-R580 PolarHBondContact OH-N 3.33Å
568	P	95.4	Very high	95.3	Very high	37 Å²	37	62.4 Å²	62.4	24%	0.24	31%	0.313	C	S	.	.			trans	-56	143.4	174.6	-27.5	33	0	0	0	113.6	A543 H570 M571	A543-P568 HydrophobicContact CB-CG 4.13Å; P568-H570 WeakPolarHBondContact CB-CE1 3.4Å; P568-H570 WeakPolarHBondContact CB-ND1 3.1Å; P568-H570 PolarHBondContact O-N 2.95Å; P568-H570 VanDerWaalsContact O-N 3.16Å; P568-M571 HydrophobicContact CB-CG 4.42Å; P568-M571 HydrophobicContact CG-SD 4.29Å; P568-M571 PolarHBondContact O-N 3.31Å; P568-M571 VanDerWaalsContact O-N 3.13Å
569	R	93.1	Very high	95.3	Very high	257 Å²	257	55 Å²	55	97%	0.97	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-23.5	-177.9	-68	-176.6	-178.1	171.9	1.9	114.3	M571	R569-M571 VanDerWaalsContact C-N 3.33Å
570	H	93.2	Very high	95.2	Very high	98 Å²	98	61 Å²	61	45%	0.454	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-15.9	179.7	65.4	-98.2	0	0	0	113.3	K444 L542 P568	K444-H570 PolarHBondContact NZ-CD2 3.17Å; K444-H570 PolarHBondContact NZ-CE1 3.05Å; K444-H570 VanDerWaalsContact NZ-CG 3.31Å; K444-H570 PolarHBondContact NZ-ND1 3.28Å; K444-H570 PolarHBondContact NZ-NE2 3.45Å; K444-H570 VanDerWaalsContact NZ-NE2 3.17Å; L542-H570 PolarHBondContact O-NE2 3.28Å; P568-H570 WeakPolarHBondContact CB-CE1 3.4Å; P568-H570 WeakPolarHBondContact CB-ND1 3.1Å; P568-H570 PolarHBondContact O-N 2.95Å; P568-H570 VanDerWaalsContact O-N 3.16Å
571	M	95.3	Very high	95.1	Very high	13 Å²	13	61.8 Å²	61.8	6%	0.064	31%	0.313	C	S	.	.	S	Bend	trans	-70.1	136.7	174.4	-70	179.1	68.8	0	0	109.5	Y539 L542 Y567 P568 R569 A575	Y539-M571 HydrophobicContact CE2-SD 4.46Å; L542-M571 HydrophobicContact CB-CE 3.99Å; L542-M571 HydrophobicContact CB-CG 4.29Å; L542-M571 HydrophobicContact CB-SD 4.4Å; L542-M571 HydrophobicContact CD1-CE 3.86Å; Y567-M571 HydrophobicContact CD1-CE 4.35Å; Y567-M571 HydrophobicContact CD1-SD 4.41Å; P568-M571 HydrophobicContact CB-CG 4.42Å; P568-M571 HydrophobicContact CG-SD 4.29Å; P568-M571 PolarHBondContact O-N 3.31Å; P568-M571 VanDerWaalsContact O-N 3.13Å; R569-M571 VanDerWaalsContact C-N 3.33Å; M571-A575 HydrophobicContact CB-CB 4.37Å; M571-A575 HydrophobicContact CE-CB 4.04Å
572	S	93.9	Very high	95.2	Very high	28 Å²	28	59.4 Å²	59.4	20%	0.196	29%	0.294	C	S	.	.			trans	-63.6	163.3	174.8	71.9	0	0	0	0	111.6	E447 E574 A575 C576	E447-S572 VanDerWaalsContact CD-OG 3.23Å; E447-S572 PolarHBondContact OE1-OG 3.42Å; E447-S572 WeakPolarHBondContact OE2-CB 3.45Å; E447-S572 PolarHBondContact OE2-OG 3.03Å; S572-E574 PolarHBondContact O-N 3.08Å; S572-E574 PolarHBondContact OG-N 3.02Å; S572-A575 PolarHBondContact O-N 2.79Å; S572-A575 WeakPolarHBondContact OG-CB 3.33Å; S572-A575 PolarHBondContact OG-N 3.39Å; S572-C576 PolarHBondContact O-N 2.66Å; S572-C576 PolarHBondContact O-SG 3.03Å
573	R	90.2	Very high	95.3	Very high	106 Å²	106	56.3 Å²	56.3	40%	0.4	27%	0.271	S	S	.	.	H	α-helix	trans	-58.6	-41.4	173.2	-176.4	-173.7	-170.5	-165.8	6.8	110.9	N143 C576 M577	N143-R573 PolarHBondContact O-NH1 3.08Å; R573-C576 PolarHBondContact O-N 2.96Å; R573-M577 HydrophobicContact CG-SD 4.44Å; R573-M577 WeakPolarHBondContact O-CB 3.28Å; R573-M577 VanDerWaalsContact O-CG 3.29Å; R573-M577 WeakPolarHBondContact O-CG 3.11Å; R573-M577 PolarHBondContact O-N 3.3Å
574	E	92.2	Very high	95.4	Very high	35 Å²	35	55 Å²	55	16%	0.164	27%	0.266	C	S	.	.	H	α-helix	trans	-65.2	-44.7	-179.2	-68.5	72	-164.1	0	0	111.3	S572 M577 L578 H604 Q605	S572-E574 PolarHBondContact O-N 3.08Å; S572-E574 PolarHBondContact OG-N 3.02Å; E574-M577 PolarHBondContact O-N 3.37Å; E574-L578 PolarHBondContact O-N 2.92Å; E574-H604 PolarHBondContact O-CE1 3.44Å; E574-Q605 HydrophobicContact CG-CB 4.04Å; E574-Q605 VanDerWaalsContact CG-CD 3.49Å; E574-Q605 HydrophobicContact CG-CG 3.64Å; E574-Q605 PolarHBondContact OE1-NE2 2.99Å
575	A	96.7	Very high	95.5	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-58.5	-51.4	172.7	0	0	0	0	0	112	L542 M571 S572 M577 L578 C579 F606	L542-A575 HydrophobicContact CD1-CB 3.76Å; M571-A575 HydrophobicContact CB-CB 4.37Å; M571-A575 HydrophobicContact CE-CB 4.04Å; S572-A575 PolarHBondContact O-N 2.79Å; S572-A575 WeakPolarHBondContact OG-CB 3.33Å; S572-A575 PolarHBondContact OG-N 3.39Å; A575-M577 PolarHBondContact O-N 3.46Å; A575-L578 WeakPolarHBondContact O-CB 3.1Å; A575-L578 PolarHBondContact O-N 3.23Å; A575-L578 VanDerWaalsContact O-N 3.14Å; A575-C579 PolarHBondContact O-N 2.87Å; A575-F606 HydrophobicContact CB-CD2 4.07Å; A575-F606 HydrophobicContact CB-CE2 3.81Å
576	C	96.4	Very high	95.5	Very high	18 Å²	18	53.8 Å²	53.8	12%	0.122	25%	0.253	C	S	.	.	H	α-helix	trans	-59.8	-37.2	179.9	-67.2	0	0	0	0	111.8	Y567 S572 R573 R580	Y567-C576 HydrophobicContact CD1-CB 4.23Å; Y567-C576 HydrophobicContact CG-CB 4.49Å; S572-C576 PolarHBondContact O-N 2.66Å; S572-C576 PolarHBondContact O-SG 3.03Å; R573-C576 PolarHBondContact O-N 2.96Å; C576-R580 VanDerWaalsContact O-CB 3.31Å; C576-R580 WeakPolarHBondContact O-CB 3.38Å; C576-R580 WeakPolarHBondContact O-CG 3.44Å; C576-R580 PolarHBondContact O-N 3.41Å
577	M	93.4	Very high	95.5	Very high	48 Å²	48	51.8 Å²	51.8	24%	0.236	23%	0.234	C	C	.	.	H	α-helix	trans	-68.4	-39.1	177.2	-77.6	-174	56.7	0	0	113.2	N143 R573 E574 A575 R580 G581	N143-M577 WeakPolarHBondContact ND2-CE 3.15Å; N143-M577 PolarHBondContact ND2-SD 3.12Å; N143-M577 VanDerWaalsContact OD1-CE 3.26Å; N143-M577 WeakPolarHBondContact OD1-CE 3.32Å; N143-M577 PolarHBondContact OD1-SD 3.19Å; R573-M577 HydrophobicContact CG-SD 4.44Å; R573-M577 WeakPolarHBondContact O-CB 3.28Å; R573-M577 VanDerWaalsContact O-CG 3.29Å; R573-M577 WeakPolarHBondContact O-CG 3.11Å; R573-M577 PolarHBondContact O-N 3.3Å; E574-M577 PolarHBondContact O-N 3.37Å; A575-M577 PolarHBondContact O-N 3.46Å; M577-R580 PolarHBondContact O-N 2.72Å; M577-G581 PolarHBondContact O-N 3.29Å
578	L	97.3	Very high	95.3	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-60.8	-54.3	175.7	-178.7	61.9	0	0	0	110	V538 E574 A575 R580 G581 L582 L591 H604 F606 Y607	V538-L578 HydrophobicContact CG1-CD2 4.01Å; E574-L578 PolarHBondContact O-N 2.92Å; A575-L578 WeakPolarHBondContact O-CB 3.1Å; A575-L578 PolarHBondContact O-N 3.23Å; A575-L578 VanDerWaalsContact O-N 3.14Å; L578-R580 VanDerWaalsContact C-N 3.34Å; L578-R580 PolarHBondContact O-N 3.18Å; L578-G581 PolarHBondContact O-N 3.08Å; L578-G581 VanDerWaalsContact O-N 3.12Å; L578-L582 HydrophobicContact CD1-CD1 3.8Å; L578-L582 HydrophobicContact CD1-CG 4.32Å; L578-L582 HydrophobicContact CD2-CD1 4.46Å; L578-L582 HydrophobicContact CG-CD1 3.71Å; L578-L582 WeakPolarHBondContact O-CG 3.3Å; L578-L582 PolarHBondContact O-N 2.79Å; L578-L591 HydrophobicContact CD1-CD2 3.69Å; L578-H604 VanDerWaalsContact CA-CE1 3.46Å; L578-H604 WeakPolarHBondContact CA-CE1 3.44Å; L578-H604 VanDerWaalsContact CB-CE1 3.47Å; L578-H604 WeakPolarHBondContact CB-CE1 3.44Å; L578-H604 HydrophobicContact CD1-CB 4.39Å; L578-H604 PolarHBondContact N-CE1 3.45Å; L578-H604 VanDerWaalsContact N-CE1 3.34Å; L578-F606 HydrophobicContact CB-CB 4.22Å; L578-F606 HydrophobicContact CB-CG 4.43Å; L578-F606 HydrophobicContact CD2-CB 3.9Å; L578-F606 HydrophobicContact CD2-CD1 3.23Å; L578-F606 HydrophobicContact CD2-CD2 4.44Å; L578-F606 HydrophobicContact CD2-CE1 3.75Å; L578-F606 HydrophobicContact CD2-CG 3.61Å; L578-Y607 HydrophobicContact CD1-CE2 4.26Å; L578-Y607 HydrophobicContact CD2-CE2 3.96Å
579	C	98.2	Very high	95.3	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-59.6	-42.7	179.3	-64.9	0	0	0	0	111.8	Y567 A575 G581 L582 L583	Y567-C579 HydrophobicContact CE1-CB 3.64Å; A575-C579 PolarHBondContact O-N 2.87Å; C579-G581 VanDerWaalsContact C-N 3.28Å; C579-G581 PolarHBondContact O-N 3.15Å; C579-L582 PolarHBondContact O-N 2.95Å; C579-L583 HydrophobicContact CB-CD1 4.36Å; C579-L583 VanDerWaalsContact O-CB 3.27Å; C579-L583 WeakPolarHBondContact O-CB 3.4Å; C579-L583 VanDerWaalsContact O-CG 3.32Å; C579-L583 WeakPolarHBondContact O-CG 3.37Å; C579-L583 PolarHBondContact O-N 3.11Å
580	R	96	Very high	95.5	Very high	152 Å²	152	50.7 Å²	50.7	57%	0.574	24%	0.236	S	C	*	.	H	α-helix	trans	-61.3	-34.5	176.4	-77.5	174.6	-173.2	-161.5	0.9	113.5	Y567 C576 M577 L578 I584	Y567-R580 HydrophobicContact CE1-CG 4.26Å; Y567-R580 HydrophobicContact CE2-CG 3.68Å; Y567-R580 VanDerWaalsContact CZ-CG 3.46Å; Y567-R580 WeakPolarHBondContact OH-CG 3.46Å; Y567-R580 PolarHBondContact OH-N 3.33Å; C576-R580 VanDerWaalsContact O-CB 3.31Å; C576-R580 WeakPolarHBondContact O-CB 3.38Å; C576-R580 WeakPolarHBondContact O-CG 3.44Å; C576-R580 PolarHBondContact O-N 3.41Å; M577-R580 PolarHBondContact O-N 2.72Å; L578-R580 VanDerWaalsContact C-N 3.34Å; L578-R580 PolarHBondContact O-N 3.18Å; R580-I584 WeakPolarHBondContact O-CG1 3.19Å
581	G	96	Very high	95.6	Very high	16 Å²	16	47.6 Å²	47.6	17%	0.165	22%	0.222	C	C	.	.	H	α-helix	trans	-73.3	-36	176	0	0	0	0	0	112.7	M577 L578 C579 I584 L591	M577-G581 PolarHBondContact O-N 3.29Å; L578-G581 PolarHBondContact O-N 3.08Å; L578-G581 VanDerWaalsContact O-N 3.12Å; C579-G581 VanDerWaalsContact C-N 3.28Å; C579-G581 PolarHBondContact O-N 3.15Å; G581-I584 WeakPolarHBondContact O-CG1 3.26Å; G581-L591 WeakPolarHBondContact O-CB 3.34Å; G581-L591 PolarHBondContact O-N 2.7Å
582	L	98.1	Very high	95.5	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-80.4	-35.5	-178.9	-66.8	166	0	0	0	112.9	W531 F534 L578 C579 I584 R590 L591 I601	W531-L582 HydrophobicContact CB-CD2 4.24Å; W531-L582 HydrophobicContact CE3-CD2 4.15Å; F534-L582 HydrophobicContact CD1-CD1 3.64Å; F534-L582 HydrophobicContact CD1-CD2 4.06Å; F534-L582 HydrophobicContact CE1-CD1 3.96Å; L578-L582 HydrophobicContact CD1-CD1 3.8Å; L578-L582 HydrophobicContact CD1-CG 4.32Å; L578-L582 HydrophobicContact CD2-CD1 4.46Å; L578-L582 HydrophobicContact CG-CD1 3.71Å; L578-L582 WeakPolarHBondContact O-CG 3.3Å; L578-L582 PolarHBondContact O-N 2.79Å; C579-L582 PolarHBondContact O-N 2.95Å; L582-I584 PolarHBondContact O-N 2.98Å; L582-R590 WeakPolarHBondContact O-CD 3.19Å; L582-R590 WeakPolarHBondContact O-CG 3.29Å; L582-L591 HydrophobicContact CD2-CB 4.2Å; L582-L591 HydrophobicContact CD2-CD2 4.32Å; L582-L591 HydrophobicContact CD2-CG 4.47Å; L582-L591 HydrophobicContact CG-CB 4.49Å; L582-L591 HydrophobicContact CG-CD2 4.27Å; L582-I601 HydrophobicContact CD2-CD1 3.82Å
583	L	98.1	Very high	95.4	Very high	12 Å²	12	47.4 Å²	47.4	6%	0.063	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	31.8	-179.1	-58.4	176.4	0	0	0	112.1	W532 V536 P547 V565 C579	W532-L583 HydrophobicContact CD2-CD2 4.23Å; W532-L583 HydrophobicContact CE3-CD2 4.36Å; W532-L583 HydrophobicContact CZ2-CD2 4.41Å; W532-L583 HydrophobicContact CZ3-CB 4.38Å; V536-L583 HydrophobicContact CG2-CD2 3.87Å; P547-L583 HydrophobicContact CB-CD1 4.28Å; P547-L583 HydrophobicContact CG-CD1 4.19Å; V565-L583 HydrophobicContact CG1-CD1 4.17Å; V565-L583 HydrophobicContact CG2-CB 4.39Å; V565-L583 HydrophobicContact CG2-CD1 3.98Å; C579-L583 HydrophobicContact CB-CD1 4.36Å; C579-L583 VanDerWaalsContact O-CB 3.27Å; C579-L583 WeakPolarHBondContact O-CB 3.4Å; C579-L583 VanDerWaalsContact O-CG 3.32Å; C579-L583 WeakPolarHBondContact O-CG 3.37Å; C579-L583 PolarHBondContact O-N 3.11Å
584	I	97.6	Very high	95.2	Very high	50 Å²	50	43.7 Å²	43.7	26%	0.256	22%	0.216	S	C	.	.			trans	-81.9	125.3	169.9	-63.4	179.5	0	0	0	108.4	R580 G581 L582 N586 E589 R590	R580-I584 WeakPolarHBondContact O-CG1 3.19Å; G581-I584 WeakPolarHBondContact O-CG1 3.26Å; L582-I584 PolarHBondContact O-N 2.98Å; I584-N586 HydrophobicContact CG2-CB 4.34Å; I584-N586 WeakPolarHBondContact CG2-O 3.46Å; I584-E589 WeakPolarHBondContact CD1-O 3.26Å; I584-E589 HydrophobicContact CG2-CB 3.84Å; I584-R590 HydrophobicContact CB-CB 4.26Å; I584-R590 PolarHBondContact O-NE 3.49Å; I584-R590 PolarHBondContact O-NH2 2.94Å; I584-R590 VanDerWaalsContact O-NH2 3.12Å
585	R	97.2	Very high	94.9	Very high	73 Å²	73	48.5 Å²	48.5	28%	0.275	25%	0.251	S	S	.	.	S	Bend	trans	-63.6	-46	-178.5	-67.8	-179	172.2	89.3	8.5	112.4	P517 W532 N559 I560 A561 Q563 P587 R590	P517-R585 HydrophobicContact CG-CB 4.25Å; P517-R585 HydrophobicContact CG-CG 4.19Å; W532-R585 HydrophobicContact CH2-CG 4.37Å; W532-R585 HydrophobicContact CZ3-CG 4.23Å; N559-R585 PolarHBondContact O-NH2 3.04Å; I560-R585 PolarHBondContact O-NE 3.48Å; I560-R585 PolarHBondContact O-NH2 3.19Å; A561-R585 VanDerWaalsContact O-CD 3.25Å; A561-R585 WeakPolarHBondContact O-CD 3.36Å; A561-R585 PolarHBondContact O-NE 2.85Å; Q563-R585 PolarHBondContact O-NH1 3Å; Q563-R585 PolarHBondContact O-NH2 3.4Å; R585-P587 WeakPolarHBondContact O-CD 3.1Å; R585-R590 PolarHBondContact O-NH2 3.15Å; R585-R590 VanDerWaalsContact O-NH2 3.09Å
586	N	95.8	Very high	94.5	Very high	65 Å²	65	52.9 Å²	52.9	35%	0.348	27%	0.274	S	S	.	.	S	Bend	trans	-67.6	111.7	175.1	179.7	1.2	0	0	0	110.7	I584 K588 E589 R590	I584-N586 HydrophobicContact CG2-CB 4.34Å; I584-N586 WeakPolarHBondContact CG2-O 3.46Å; N586-K588 PolarHBondContact O-N 3.08Å; N586-K588 VanDerWaalsContact O-N 3.09Å; N586-K588 WeakPolarHBondContact OD1-CB 3.23Å; N586-K588 PolarHBondContact OD1-N 3.47Å; N586-K588 VanDerWaalsContact OD1-N 3.1Å; N586-E589 HydrophobicContact CB-CB 4.45Å; N586-E589 PolarHBondContact ND2-OE1 2.88Å; N586-E589 PolarHBondContact O-N 3.37Å; N586-E589 VanDerWaalsContact O-N 3.08Å; N586-R590 PolarHBondContact O-N 2.79Å
587	P	95.3	Very high	94.2	Very high	30 Å²	30	52.2 Å²	52.2	20%	0.195	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-25.1	-176.4	-24.8	36.9	0	0	0	113.8	E518 R585 E589 C593	E518-P587 HydrophobicContact CB-CG 4.26Å; E518-P587 HydrophobicContact CG-CG 4.2Å; R585-P587 WeakPolarHBondContact O-CD 3.1Å; P587-E589 VanDerWaalsContact C-N 3.3Å; P587-E589 PolarHBondContact O-N 3.4Å; P587-C593 WeakPolarHBondContact O-CB 3.49Å
588	K	93	Very high	94.2	Very high	185 Å²	185	52.6 Å²	52.6	80%	0.804	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-25.2	179.6	-64.4	-177.6	179.6	178	0	113.3	N586	N586-K588 PolarHBondContact O-N 3.08Å; N586-K588 VanDerWaalsContact O-N 3.09Å; N586-K588 WeakPolarHBondContact OD1-CB 3.23Å; N586-K588 PolarHBondContact OD1-N 3.47Å; N586-K588 VanDerWaalsContact OD1-N 3.1Å
589	E	94	Very high	93.9	Very high	132 Å²	132	57.8 Å²	57.8	62%	0.617	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	-11.2	-179.8	-71.2	172.9	-165.1	0	0	112.2	I584 N586 P587	I584-E589 WeakPolarHBondContact CD1-O 3.26Å; I584-E589 HydrophobicContact CG2-CB 3.84Å; N586-E589 HydrophobicContact CB-CB 4.45Å; N586-E589 PolarHBondContact ND2-OE1 2.88Å; N586-E589 PolarHBondContact O-N 3.37Å; N586-E589 VanDerWaalsContact O-N 3.08Å; P587-E589 VanDerWaalsContact C-N 3.3Å; P587-E589 PolarHBondContact O-N 3.4Å
590	R	97.1	Very high	93.6	Very high	4 Å²	4	61 Å²	61	2%	0.015	31%	0.311	C	S	.	.	S	Bend	trans	-66.8	134.7	-179.2	-168.2	-178.3	-61.6	153	4.1	111.9	E518 S528 L582 I584 R585 N586 G592 C593	E518-R590 IonicContact OE1-CZ 2.93Å; E518-R590 IonicContact OE1-NH1 2.97Å; E518-R590 PolarHBondContact OE1-NH1 3.35Å; E518-R590 IonicContact OE1-NH2 2.84Å; E518-R590 PolarHBondContact OE1-NH2 3.04Å; E518-R590 IonicContact OE2-CZ 3.15Å; E518-R590 IonicContact OE2-NH1 2.56Å; E518-R590 PolarHBondContact OE2-NH1 2.9Å; E518-R590 IonicContact OE2-NH2 3.65Å; E518-R590 PolarHBondContact OE2-NH2 3.37Å; S528-R590 VanDerWaalsContact C-NH1 3.27Å; S528-R590 PolarHBondContact O-NH1 2.84Å; L582-R590 WeakPolarHBondContact O-CD 3.19Å; L582-R590 WeakPolarHBondContact O-CG 3.29Å; I584-R590 HydrophobicContact CB-CB 4.26Å; I584-R590 PolarHBondContact O-NE 3.49Å; I584-R590 PolarHBondContact O-NH2 2.94Å; I584-R590 VanDerWaalsContact O-NH2 3.12Å; R585-R590 PolarHBondContact O-NH2 3.15Å; R585-R590 VanDerWaalsContact O-NH2 3.09Å; N586-R590 PolarHBondContact O-N 2.79Å; R590-G592 PolarHBondContact O-N 2.75Å; R590-C593 VanDerWaalsContact O-CB 3.31Å; R590-C593 WeakPolarHBondContact O-CB 3.47Å; R590-C593 PolarHBondContact O-N 3.06Å; R590-C593 VanDerWaalsContact O-N 3.15Å
591	L	95.3	Very high	93.6	Very high	33 Å²	33	53.7 Å²	53.7	17%	0.173	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	137.4	174.2	-174.6	67.7	0	0	0	110.3	L578 G581 L582 C593 D600 I601	L578-L591 HydrophobicContact CD1-CD2 3.69Å; G581-L591 WeakPolarHBondContact O-CB 3.34Å; G581-L591 PolarHBondContact O-N 2.7Å; L582-L591 HydrophobicContact CD2-CB 4.2Å; L582-L591 HydrophobicContact CD2-CD2 4.32Å; L582-L591 HydrophobicContact CD2-CG 4.47Å; L582-L591 HydrophobicContact CG-CB 4.49Å; L582-L591 HydrophobicContact CG-CD2 4.27Å; L591-C593 VanDerWaalsContact C-N 3.34Å; L591-D600 HydrophobicContact CD1-CB 3.93Å; L591-I601 HydrophobicContact CD2-CD1 3.76Å; L591-I601 HydrophobicContact CG-CD1 3.65Å; L591-I601 HydrophobicContact CG-CG1 4.47Å
592	G	94.1	Very high	93.5	Very high	2 Å²	2	57 Å²	57	2%	0.021	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.6	-11	-175.4	0	0	0	0	0	115	W531 R590 G597	W531-G592 PolarHBondContact NE1-O 2.8Å; R590-G592 PolarHBondContact O-N 2.75Å; G592-G597 WeakPolarHBondContact O-CA 3.35Å
593	C	92.2	Very high	93.1	Very high	34 Å²	34	63.1 Å²	63.1	23%	0.23	32%	0.32	C	S	.	.			trans	-98.6	-13	-175.7	-59	0	0	0	0	114.8	S528 P587 R590 L591	S528-C593 VanDerWaalsContact CA-SG 3.57Å; S528-C593 WeakPolarHBondContact CB-SG 3.5Å; P587-C593 WeakPolarHBondContact O-CB 3.49Å; R590-C593 VanDerWaalsContact O-CB 3.31Å; R590-C593 WeakPolarHBondContact O-CB 3.47Å; R590-C593 PolarHBondContact O-N 3.06Å; R590-C593 VanDerWaalsContact O-N 3.15Å; L591-C593 VanDerWaalsContact C-N 3.34Å
594	G	86.1	Confident	92.8	Very high	28 Å²	28	63.8 Å²	63.8	29%	0.289	32%	0.323	S	S	.	.	S	Bend	trans	-73.9	174.7	177.3	0	0	0	0	0	114	N596 G597	G594-N596 PolarHBondContact O-N 3.38Å; G594-N596 VanDerWaalsContact O-N 3.16Å; G594-G597 WeakPolarHBondContact O-CA 3.48Å; G594-G597 PolarHBondContact O-N 3Å
595	P	85.2	Confident	92.4	Very high	137 Å²	137	63.2 Å²	63.2	89%	0.89	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-25.4	178.1	24.9	-34.5	0	0	0	113.3
596	N	87.2	Confident	92.3	Very high	92 Å²	92	59.9 Å²	59.9	49%	0.492	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	21	174.3	-64.8	-53.9	0	0	0	112.4	G594 E598 K599 D600	G594-N596 PolarHBondContact O-N 3.38Å; G594-N596 VanDerWaalsContact O-N 3.16Å; N596-E598 VanDerWaalsContact C-N 3.35Å; N596-E598 PolarHBondContact O-N 3.17Å; N596-E598 VanDerWaalsContact O-N 3.16Å; N596-K599 HydrophobicContact CB-CB 4.37Å; N596-K599 CarbonylContact O-C 3.54Å; N596-K599 WeakPolarHBondContact O-CA 3.09Å; N596-K599 WeakPolarHBondContact O-CB 3.47Å; N596-K599 PolarHBondContact O-N 2.86Å; N596-D600 VanDerWaalsContact O-CG 3.27Å; N596-D600 PolarHBondContact O-N 2.97Å
597	G	90.6	Very high	92.2	Very high	3 Å²	3	57 Å²	57	3%	0.031	29%	0.29	C	S	.	.	H	α-helix	trans	-51.3	-45.8	-167	0	0	0	0	0	114.9	G592 G594 D600 I601	G592-G597 WeakPolarHBondContact O-CA 3.35Å; G594-G597 WeakPolarHBondContact O-CA 3.48Å; G594-G597 PolarHBondContact O-N 3Å; G597-D600 PolarHBondContact O-N 2.87Å; G597-I601 WeakPolarHBondContact O-CG1 3.48Å; G597-I601 PolarHBondContact O-N 2.88Å; G597-I601 VanDerWaalsContact O-N 3.07Å
598	E	93.9	Very high	91.9	Very high	57 Å²	57	59.1 Å²	59.1	27%	0.266	30%	0.295	S	S	.	.	H	α-helix	trans	-62.6	-44.4	175.9	170.8	167.2	176.9	0	0	112.3	F462 N596 D600 I601 R602	F462-E598 HydrophobicContact CD1-CB 3.87Å; F462-E598 HydrophobicContact CD1-CG 3.71Å; F462-E598 HydrophobicContact CD2-CG 3.93Å; F462-E598 HydrophobicContact CE1-CB 3.71Å; F462-E598 HydrophobicContact CE1-CG 3.64Å; F462-E598 HydrophobicContact CE2-CG 3.9Å; F462-E598 HydrophobicContact CG-CB 4.5Å; F462-E598 HydrophobicContact CG-CG 3.87Å; F462-E598 HydrophobicContact CZ-CB 4.24Å; F462-E598 HydrophobicContact CZ-CG 3.76Å; N596-E598 VanDerWaalsContact C-N 3.35Å; N596-E598 PolarHBondContact O-N 3.17Å; N596-E598 VanDerWaalsContact O-N 3.16Å; E598-D600 VanDerWaalsContact C-N 3.33Å; E598-D600 PolarHBondContact O-N 3.37Å; E598-I601 PolarHBondContact O-N 3.47Å; E598-R602 HydrophobicContact CG-CG 4.47Å; E598-R602 WeakPolarHBondContact O-CB 3.33Å; E598-R602 WeakPolarHBondContact O-CG 3.41Å; E598-R602 PolarHBondContact O-N 2.82Å; E598-R602 IonicContact OE1-CZ 3.54Å; E598-R602 IonicContact OE1-NE 3.86Å; E598-R602 PolarHBondContact OE1-NE 3.31Å; E598-R602 IonicContact OE1-NH2 3.45Å; E598-R602 PolarHBondContact OE1-NH2 2.81Å
599	K	91.3	Very high	91.7	Very high	108 Å²	108	52.2 Å²	52.2	47%	0.47	27%	0.265	S	S	.	.	H	α-helix	trans	-63.5	-40.8	177.1	-177.6	-176.7	178.5	-177.7	0	111.2	N596 I601 R602 Q603	N596-K599 HydrophobicContact CB-CB 4.37Å; N596-K599 CarbonylContact O-C 3.54Å; N596-K599 WeakPolarHBondContact O-CA 3.09Å; N596-K599 WeakPolarHBondContact O-CB 3.47Å; N596-K599 PolarHBondContact O-N 2.86Å; K599-I601 VanDerWaalsContact C-N 3.34Å; K599-I601 PolarHBondContact O-N 2.93Å; K599-R602 PolarHBondContact O-N 3.37Å; K599-Q603 HydrophobicContact CG-CG 4.16Å; K599-Q603 VanDerWaalsContact O-CB 3.25Å; K599-Q603 WeakPolarHBondContact O-CB 3.15Å; K599-Q603 VanDerWaalsContact O-CG 3.24Å; K599-Q603 WeakPolarHBondContact O-CG 3.04Å; K599-Q603 PolarHBondContact O-N 3.45Å
600	D	92.1	Very high	91.6	Very high	67 Å²	67	46.9 Å²	46.9	36%	0.358	24%	0.241	S	C	.	.	H	α-helix	trans	-64.6	-39.3	-179.5	-63.5	-24.7	0	0	0	111.3	L591 N596 G597 E598 H604	L591-D600 HydrophobicContact CD1-CB 3.93Å; N596-D600 VanDerWaalsContact O-CG 3.27Å; N596-D600 PolarHBondContact O-N 2.97Å; G597-D600 PolarHBondContact O-N 2.87Å; E598-D600 VanDerWaalsContact C-N 3.33Å; E598-D600 PolarHBondContact O-N 3.37Å; D600-H604 PolarHBondContact O-N 2.97Å
601	I	95.4	Very high	91.3	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-65.3	-53	172.1	-64.8	-74.2	0	0	0	110.4	A458 F462 W531 L582 L591 G597 E598 K599 Q603 H604 Y607	A458-I601 HydrophobicContact CB-CG2 4.41Å; F462-I601 HydrophobicContact CE1-CB 4.41Å; F462-I601 HydrophobicContact CZ-CB 3.92Å; F462-I601 HydrophobicContact CZ-CG2 3.77Å; W531-I601 HydrophobicContact CE3-CD1 4.01Å; W531-I601 HydrophobicContact CE3-CG1 4.36Å; W531-I601 HydrophobicContact CH2-CG1 4.19Å; W531-I601 HydrophobicContact CZ3-CD1 4.02Å; W531-I601 HydrophobicContact CZ3-CG1 4.07Å; W531-I601 HydrophobicContact CZ3-CG2 4.36Å; L582-I601 HydrophobicContact CD2-CD1 3.82Å; L591-I601 HydrophobicContact CD2-CD1 3.76Å; L591-I601 HydrophobicContact CG-CD1 3.65Å; L591-I601 HydrophobicContact CG-CG1 4.47Å; G597-I601 WeakPolarHBondContact O-CG1 3.48Å; G597-I601 PolarHBondContact O-N 2.88Å; G597-I601 VanDerWaalsContact O-N 3.07Å; E598-I601 PolarHBondContact O-N 3.47Å; K599-I601 VanDerWaalsContact C-N 3.34Å; K599-I601 PolarHBondContact O-N 2.93Å; I601-Q603 PolarHBondContact O-N 3.22Å; I601-H604 VanDerWaalsContact O-CB 3.28Å; I601-H604 WeakPolarHBondContact O-CB 3.24Å; I601-H604 PolarHBondContact O-N 2.87Å; I601-H604 VanDerWaalsContact O-N 3.09Å; I601-Y607 HydrophobicContact CG2-CE2 4.17Å; I601-Y607 VanDerWaalsContact O-CD2 3.29Å; I601-Y607 WeakPolarHBondContact O-CD2 3.16Å
602	R	93.5	Very high	91.3	Very high	84 Å²	84	50 Å²	50	32%	0.317	26%	0.256	S	S	.	.	H	α-helix	trans	-59.3	-34.3	-177.3	-72.2	178	-179.6	-124.6	7.4	113.2	F462 E598 K599 W612	F462-R602 HydrophobicContact CE2-CG 3.95Å; F462-R602 HydrophobicContact CZ-CG 4.26Å; E598-R602 HydrophobicContact CG-CG 4.47Å; E598-R602 WeakPolarHBondContact O-CB 3.33Å; E598-R602 WeakPolarHBondContact O-CG 3.41Å; E598-R602 PolarHBondContact O-N 2.82Å; E598-R602 IonicContact OE1-CZ 3.54Å; E598-R602 IonicContact OE1-NE 3.86Å; E598-R602 PolarHBondContact OE1-NE 3.31Å; E598-R602 IonicContact OE1-NH2 3.45Å; E598-R602 PolarHBondContact OE1-NH2 2.81Å; K599-R602 PolarHBondContact O-N 3.37Å; R602-W612 HydrophobicContact CB-CD2 4.36Å; R602-W612 HydrophobicContact CB-CZ2 4.15Å; R602-W612 HydrophobicContact CG-CD2 3.93Å; R602-W612 HydrophobicContact CG-CE3 4.21Å; R602-W612 HydrophobicContact CG-CG 4.42Å; R602-W612 HydrophobicContact CG-CH2 4.34Å; R602-W612 HydrophobicContact CG-CZ2 4.08Å; R602-W612 HydrophobicContact CG-CZ3 4.4Å; R602-W612 PolarHBondContact O-NE1 3.15Å
603	Q	89.5	Confident	91.2	Very high	130 Å²	130	55.8 Å²	55.8	61%	0.607	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	0.1	-177.9	-64.3	-174.7	-9.1	0	0	113.5	K599 I601	K599-Q603 HydrophobicContact CG-CG 4.16Å; K599-Q603 VanDerWaalsContact O-CB 3.25Å; K599-Q603 WeakPolarHBondContact O-CB 3.15Å; K599-Q603 VanDerWaalsContact O-CG 3.24Å; K599-Q603 WeakPolarHBondContact O-CG 3.04Å; K599-Q603 PolarHBondContact O-N 3.45Å; I601-Q603 PolarHBondContact O-N 3.22Å
604	H	91.7	Very high	91.2	Very high	26 Å²	26	58 Å²	58	12%	0.12	29%	0.288	C	S	.	.	S	Bend	trans	-63.2	141.3	177.9	-167.8	-90.2	0	0	0	111.2	E574 L578 D600 I601 F606 Y607	E574-H604 PolarHBondContact O-CE1 3.44Å; L578-H604 VanDerWaalsContact CA-CE1 3.46Å; L578-H604 WeakPolarHBondContact CA-CE1 3.44Å; L578-H604 VanDerWaalsContact CB-CE1 3.47Å; L578-H604 WeakPolarHBondContact CB-CE1 3.44Å; L578-H604 HydrophobicContact CD1-CB 4.39Å; L578-H604 PolarHBondContact N-CE1 3.45Å; L578-H604 VanDerWaalsContact N-CE1 3.34Å; D600-H604 PolarHBondContact O-N 2.97Å; I601-H604 VanDerWaalsContact O-CB 3.28Å; I601-H604 WeakPolarHBondContact O-CB 3.24Å; I601-H604 PolarHBondContact O-N 2.87Å; I601-H604 VanDerWaalsContact O-N 3.09Å; H604-F606 WeakPolarHBondContact ND1-CB 3.38Å; H604-F606 PolarHBondContact ND1-N 3.49Å; H604-F606 PolarHBondContact O-N 2.95Å; H604-Y607 HydrophobicContact CB-CD2 4.2Å; H604-Y607 PolarHBondContact O-N 2.89Å
605	Q	89.3	Confident	91.7	Very high	38 Å²	38	56.7 Å²	56.7	18%	0.178	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-61.9	-21	-173.5	-163.9	-175.6	-9.5	0	0	114	N143 E574 Y607 R608	N143-Q605 PolarHBondContact ND2-OE1 3.08Å; E574-Q605 HydrophobicContact CG-CB 4.04Å; E574-Q605 VanDerWaalsContact CG-CD 3.49Å; E574-Q605 HydrophobicContact CG-CG 3.64Å; E574-Q605 PolarHBondContact OE1-NE2 2.99Å; Q605-Y607 VanDerWaalsContact C-N 3.26Å; Q605-Y607 PolarHBondContact O-N 3.27Å; Q605-R608 VanDerWaalsContact O-CB 3.27Å; Q605-R608 WeakPolarHBondContact O-CB 3.33Å; Q605-R608 WeakPolarHBondContact O-CD 3.48Å; Q605-R608 WeakPolarHBondContact O-CG 3.38Å; Q605-R608 PolarHBondContact O-N 3.37Å; Q605-R608 PolarHBondContact O-NH1 3.46Å; Q605-R608 VanDerWaalsContact O-NH1 3.11Å
606	F	95.1	Very high	92.2	Very high	3 Å²	3	52.1 Å²	52.1	1%	0.013	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-60.6	-36.5	171.6	-171.8	-108.7	0	0	0	112	E447 A450 V451 V538 L542 A575 L578 H604	E447-F606 HydrophobicContact CG-CE2 3.81Å; E447-F606 HydrophobicContact CG-CZ 4.43Å; A450-F606 HydrophobicContact CB-CZ 4.45Å; V451-F606 HydrophobicContact CB-CE1 4.12Å; V451-F606 HydrophobicContact CB-CZ 4.36Å; V451-F606 HydrophobicContact CG2-CD1 3.82Å; V451-F606 HydrophobicContact CG2-CD2 4.09Å; V451-F606 HydrophobicContact CG2-CE1 3.45Å; V451-F606 VanDerWaalsContact CG2-CE1 3.45Å; V451-F606 HydrophobicContact CG2-CE2 3.72Å; V451-F606 HydrophobicContact CG2-CG 4.16Å; V451-F606 HydrophobicContact CG2-CZ 3.39Å; V538-F606 HydrophobicContact CG1-CE1 4.4Å; V538-F606 HydrophobicContact CG1-CZ 4.41Å; L542-F606 HydrophobicContact CD1-CE2 4.06Å; L542-F606 HydrophobicContact CD1-CZ 4Å; L542-F606 HydrophobicContact CD2-CZ 4.45Å; A575-F606 HydrophobicContact CB-CD2 4.07Å; A575-F606 HydrophobicContact CB-CE2 3.81Å; L578-F606 HydrophobicContact CB-CB 4.22Å; L578-F606 HydrophobicContact CB-CG 4.43Å; L578-F606 HydrophobicContact CD2-CB 3.9Å; L578-F606 HydrophobicContact CD2-CD1 3.23Å; L578-F606 HydrophobicContact CD2-CD2 4.44Å; L578-F606 HydrophobicContact CD2-CE1 3.75Å; L578-F606 HydrophobicContact CD2-CG 3.61Å; H604-F606 WeakPolarHBondContact ND1-CB 3.38Å; H604-F606 PolarHBondContact ND1-N 3.49Å; H604-F606 PolarHBondContact O-N 2.95Å
607	Y	95.2	Very high	92.5	Very high	3 Å²	3	51.4 Å²	51.4	1%	0.012	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-95.5	16.2	179.9	-57.5	-69.2	0	0	0	113.7	V451 S454 A455 F534 L578 I601 H604 Q605 H609 I610 W612	V451-Y607 HydrophobicContact CG1-CD1 3.99Å; S454-Y607 WeakPolarHBondContact CB-OH 3.3Å; S454-Y607 WeakPolarHBondContact OG-CE1 3.12Å; S454-Y607 PolarHBondContact OG-OH 2.94Å; A455-Y607 HydrophobicContact CB-CD1 3.95Å; A455-Y607 HydrophobicContact CB-CE1 3.86Å; F534-Y607 VanDerWaalsContact CZ-OH 3.28Å; F534-Y607 WeakPolarHBondContact CZ-OH 3.29Å; L578-Y607 HydrophobicContact CD1-CE2 4.26Å; L578-Y607 HydrophobicContact CD2-CE2 3.96Å; I601-Y607 HydrophobicContact CG2-CE2 4.17Å; I601-Y607 VanDerWaalsContact O-CD2 3.29Å; I601-Y607 WeakPolarHBondContact O-CD2 3.16Å; H604-Y607 HydrophobicContact CB-CD2 4.2Å; H604-Y607 PolarHBondContact O-N 2.89Å; Q605-Y607 VanDerWaalsContact C-N 3.26Å; Q605-Y607 PolarHBondContact O-N 3.27Å; Y607-H609 PolarHBondContact O-N 3.32Å; Y607-I610 HydrophobicContact CD1-CG1 4.34Å; Y607-I610 PolarHBondContact O-N 3.35Å; Y607-W612 HydrophobicContact CD1-CH2 4.22Å; Y607-W612 AromaticContact CD1-CZ2 3.97Å; Y607-W612 HydrophobicContact CD1-CZ2 3.97Å; Y607-W612 HydrophobicContact CD2-CH2 4.41Å; Y607-W612 AromaticContact CD2-CZ2 3.93Å; Y607-W612 HydrophobicContact CD2-CZ2 3.93Å; Y607-W612 HydrophobicContact CE1-CH2 4.45Å; Y607-W612 HydrophobicContact CG-CH2 4.21Å; Y607-W612 AromaticContact CG-CZ2 3.6Å; Y607-W612 HydrophobicContact CG-CZ2 3.6Å
608	R	87.7	Confident	92.7	Very high	76 Å²	76	54.2 Å²	54.2	29%	0.287	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-20.6	-174.3	65.5	-175.8	179.7	-80.8	-0.4	115.3	E290 E447 Q605	E290-R608 IonicContact OE1-NH2 2.74Å; E290-R608 PolarHBondContact OE1-NH2 3.02Å; E447-R608 IonicContact OE1-NH1 2.64Å; Q605-R608 VanDerWaalsContact O-CB 3.27Å; Q605-R608 WeakPolarHBondContact O-CB 3.33Å; Q605-R608 WeakPolarHBondContact O-CD 3.48Å; Q605-R608 WeakPolarHBondContact O-CG 3.38Å; Q605-R608 PolarHBondContact O-N 3.37Å; Q605-R608 PolarHBondContact O-NH1 3.46Å; Q605-R608 VanDerWaalsContact O-NH1 3.11Å
609	H	90	Very high	92.5	Very high	39 Å²	39	55.4 Å²	55.4	18%	0.181	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	-1.4	-178.7	-60.7	-40.8	0	0	0	113.4	E290 Y294 L296 Y607	E290-H609 IonicContact OE1-NE2 2.74Å; Y294-H609 HydrophobicContact CD1-CB 4.38Å; Y294-H609 HydrophobicContact CE1-CB 4.2Å; L296-H609 WeakPolarHBondContact CD1-CE1 3.35Å; L296-H609 WeakPolarHBondContact CD1-ND1 3.41Å; L296-H609 HydrophobicContact CD2-CB 4.33Å; Y607-H609 PolarHBondContact O-N 3.32Å
610	I	91.6	Very high	92.5	Very high	21 Å²	21	51.9 Å²	51.9	11%	0.108	25%	0.247	C	C	.	.			trans	-85.7	123.9	179.7	-65.8	-60.1	0	0	0	110.2	V451 A455 Y607 W612 L615	V451-I610 HydrophobicContact CG1-CD1 3.86Å; V451-I610 HydrophobicContact CG1-CG1 3.57Å; A455-I610 HydrophobicContact CB-CG1 4.41Å; A455-I610 HydrophobicContact CB-CG2 4.32Å; Y607-I610 HydrophobicContact CD1-CG1 4.34Å; Y607-I610 PolarHBondContact O-N 3.35Å; I610-W612 HydrophobicContact CG2-CD2 4.04Å; I610-W612 HydrophobicContact CG2-CG 4.14Å; I610-W612 PolarHBondContact O-N 3.49Å; I610-L615 HydrophobicContact CG2-CB 4.45Å; I610-L615 HydrophobicContact CG2-CD2 3.98Å
611	D	90.6	Very high	92.5	Very high	74 Å²	74	49.7 Å²	49.7	40%	0.396	23%	0.234	S	C	.	.			trans	-84.4	98.7	160.4	-174.4	-30	0	0	0	108.4	H613 K614 L615	D611-H613 PolarHBondContact O-N 2.83Å; D611-H613 WeakPolarHBondContact OD1-CB 3.46Å; D611-H613 PolarHBondContact OD1-N 3.25Å; D611-K614 HydrophobicContact CB-CB 4.02Å; D611-K614 HydrophobicContact CB-CD 4.31Å; D611-K614 HydrophobicContact CB-CG 4.18Å; D611-K614 PolarHBondContact O-N 3.31Å; D611-K614 PolarHBondContact OD1-N 2.78Å; D611-K614 WeakPolarHBondContact OD2-CG 3.34Å; D611-L615 WeakPolarHBondContact O-CB 3.48Å; D611-L615 PolarHBondContact O-N 2.88Å
612	W	94.4	Very high	92.4	Very high	28 Å²	28	50.3 Å²	50.3	11%	0.106	24%	0.239	C	C	.	.	H	α-helix	trans	-60.4	-26.7	-177.5	-69.5	93	0	0	0	113.6	A455 A458 L459 F462 R602 Y607 I610 S616	A455-W612 HydrophobicContact CB-CH2 3.79Å; A455-W612 HydrophobicContact CB-CZ2 4.46Å; A455-W612 HydrophobicContact CB-CZ3 3.87Å; A455-W612 WeakPolarHBondContact O-CZ3 3.41Å; A458-W612 HydrophobicContact CB-CH2 4.32Å; A458-W612 HydrophobicContact CB-CZ3 4.34Å; L459-W612 HydrophobicContact CD1-CE3 4.21Å; L459-W612 HydrophobicContact CD2-CE3 3.94Å; L459-W612 HydrophobicContact CD2-CZ3 4.32Å; L459-W612 HydrophobicContact CG-CE3 3.96Å; L459-W612 HydrophobicContact CG-CZ3 4.02Å; F462-W612 HydrophobicContact CE2-CZ3 4.4Å; R602-W612 HydrophobicContact CB-CD2 4.36Å; R602-W612 HydrophobicContact CB-CZ2 4.15Å; R602-W612 HydrophobicContact CG-CD2 3.93Å; R602-W612 HydrophobicContact CG-CE3 4.21Å; R602-W612 HydrophobicContact CG-CG 4.42Å; R602-W612 HydrophobicContact CG-CH2 4.34Å; R602-W612 HydrophobicContact CG-CZ2 4.08Å; R602-W612 HydrophobicContact CG-CZ3 4.4Å; R602-W612 PolarHBondContact O-NE1 3.15Å; Y607-W612 HydrophobicContact CD1-CH2 4.22Å; Y607-W612 AromaticContact CD1-CZ2 3.97Å; Y607-W612 HydrophobicContact CD1-CZ2 3.97Å; Y607-W612 HydrophobicContact CD2-CH2 4.41Å; Y607-W612 AromaticContact CD2-CZ2 3.93Å; Y607-W612 HydrophobicContact CD2-CZ2 3.93Å; Y607-W612 HydrophobicContact CE1-CH2 4.45Å; Y607-W612 HydrophobicContact CG-CH2 4.21Å; Y607-W612 AromaticContact CG-CZ2 3.6Å; Y607-W612 HydrophobicContact CG-CZ2 3.6Å; I610-W612 HydrophobicContact CG2-CD2 4.04Å; I610-W612 HydrophobicContact CG2-CG 4.14Å; I610-W612 PolarHBondContact O-N 3.49Å; W612-S616 WeakPolarHBondContact O-CB 3.45Å; W612-S616 PolarHBondContact O-N 2.9Å; W612-S616 PolarHBondContact O-OG 3.45Å
613	H	93.3	Very high	92.4	Very high	123 Å²	123	48.1 Å²	48.1	57%	0.569	24%	0.235	S	C	*	.	H	α-helix	trans	-77.9	-46.4	179.4	180	-86.8	0	0	0	110.8	D611 L615 S616 N617	D611-H613 PolarHBondContact O-N 2.83Å; D611-H613 WeakPolarHBondContact OD1-CB 3.46Å; D611-H613 PolarHBondContact OD1-N 3.25Å; H613-L615 VanDerWaalsContact C-N 3.29Å; H613-L615 PolarHBondContact O-N 2.85Å; H613-S616 WeakPolarHBondContact CA-OG 3.38Å; H613-S616 PolarHBondContact O-N 2.91Å; H613-S616 PolarHBondContact O-OG 3.35Å; H613-N617 PolarHBondContact CE1-ND2 3.39Å; H613-N617 PolarHBondContact ND1-ND2 2.97Å; H613-N617 VanDerWaalsContact O-CG 3.32Å; H613-N617 PolarHBondContact O-N 2.76Å; H613-N617 VanDerWaalsContact O-N 3.14Å; H613-N617 PolarHBondContact O-ND2 3.36Å
614	K	92.4	Very high	92.5	Very high	82 Å²	82	44.2 Å²	44.2	36%	0.357	22%	0.217	S	C	.	.	H	α-helix	trans	-60.7	-41.2	172.5	-69.9	-169.7	173	-165.9	0	111.3	D611 N617 L618 E619 I620	D611-K614 HydrophobicContact CB-CB 4.02Å; D611-K614 HydrophobicContact CB-CD 4.31Å; D611-K614 HydrophobicContact CB-CG 4.18Å; D611-K614 PolarHBondContact O-N 3.31Å; D611-K614 PolarHBondContact OD1-N 2.78Å; D611-K614 WeakPolarHBondContact OD2-CG 3.34Å; K614-N617 PolarHBondContact O-N 2.97Å; K614-L618 PolarHBondContact O-N 3.12Å; K614-E619 HydrophobicContact CB-CB 4.03Å; K614-E619 HydrophobicContact CG-CB 4.42Å; K614-E619 WeakPolarHBondContact CG-OE2 3.26Å; K614-E619 WeakPolarHBondContact O-CB 3.5Å; K614-E619 PolarHBondContact O-N 2.89Å; K614-I620 HydrophobicContact CB-CD1 4.13Å; K614-I620 HydrophobicContact CB-CG1 3.76Å
615	L	95.6	Very high	92.4	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-61.1	-49.5	176.4	-169.1	67.8	0	0	0	111	F409 F452 A455 E456 L459 I610 D611 H613 N617 L618 I620	F409-L615 HydrophobicContact CZ-CG 4.48Å; F409-L615 WeakPolarHBondContact CZ-O 3.46Å; F452-L615 HydrophobicContact CD2-CD1 4.03Å; F452-L615 HydrophobicContact CE2-CD1 3.65Å; F452-L615 HydrophobicContact CZ-CD1 4.26Å; A455-L615 HydrophobicContact CB-CD2 3.4Å; E456-L615 HydrophobicContact CG-CD1 3.79Å; E456-L615 HydrophobicContact CG-CD2 4.07Å; E456-L615 HydrophobicContact CG-CG 4.05Å; L459-L615 HydrophobicContact CD1-CB 4.38Å; L459-L615 HydrophobicContact CD1-CD2 3.91Å; L459-L615 HydrophobicContact CD1-CG 4.08Å; I610-L615 HydrophobicContact CG2-CB 4.45Å; I610-L615 HydrophobicContact CG2-CD2 3.98Å; D611-L615 WeakPolarHBondContact O-CB 3.48Å; D611-L615 PolarHBondContact O-N 2.88Å; H613-L615 VanDerWaalsContact C-N 3.29Å; H613-L615 PolarHBondContact O-N 2.85Å; L615-N617 PolarHBondContact O-N 2.99Å; L615-N617 VanDerWaalsContact O-N 3.13Å; L615-L618 PolarHBondContact O-N 2.91Å; L615-I620 HydrophobicContact CB-CD1 3.9Å; L615-I620 HydrophobicContact CD1-CB 4.32Å; L615-I620 HydrophobicContact CD1-CD1 4.16Å
616	S	95.5	Very high	92.4	Very high	41 Å²	41	45.1 Å²	45.1	29%	0.287	22%	0.22	S	C	.	.	H	α-helix	trans	-61.1	-24.1	179	59.2	0	0	0	0	114.1	W612 H613	W612-S616 WeakPolarHBondContact O-CB 3.45Å; W612-S616 PolarHBondContact O-N 2.9Å; W612-S616 PolarHBondContact O-OG 3.45Å; H613-S616 WeakPolarHBondContact CA-OG 3.38Å; H613-S616 PolarHBondContact O-N 2.91Å; H613-S616 PolarHBondContact O-OG 3.35Å
617	N	94.3	Very high	92	Very high	76 Å²	76	55.4 Å²	55.4	41%	0.406	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	6.8	178.3	-65	-14.1	0	0	0	113.5	H613 K614 L615 E619	H613-N617 PolarHBondContact CE1-ND2 3.39Å; H613-N617 PolarHBondContact ND1-ND2 2.97Å; H613-N617 VanDerWaalsContact O-CG 3.32Å; H613-N617 PolarHBondContact O-N 2.76Å; H613-N617 VanDerWaalsContact O-N 3.14Å; H613-N617 PolarHBondContact O-ND2 3.36Å; K614-N617 PolarHBondContact O-N 2.97Å; L615-N617 PolarHBondContact O-N 2.99Å; L615-N617 VanDerWaalsContact O-N 3.13Å; N617-E619 HydrophobicContact CB-CG 3.85Å; N617-E619 PolarHBondContact O-N 3.08Å
618	L	93.8	Very high	91.5	Very high	63 Å²	63	57.7 Å²	57.7	33%	0.33	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.6	35.1	-176.1	-48.6	176.6	0	0	0	112.6	P408 F409 H486 K614 L615	P408-L618 HydrophobicContact CB-CD1 4.01Å; P408-L618 HydrophobicContact CB-CD2 4.17Å; P408-L618 HydrophobicContact CB-CG 4.25Å; P408-L618 HydrophobicContact CG-CD2 4.16Å; P408-L618 HydrophobicContact CG-CG 4.37Å; F409-L618 HydrophobicContact CD1-CD2 4.44Å; F409-L618 HydrophobicContact CE1-CD2 3.5Å; F409-L618 VanDerWaalsContact CE1-CD2 3.5Å; F409-L618 HydrophobicContact CZ-CD2 3.76Å; H486-L618 HydrophobicContact CB-CD2 4.35Å; K614-L618 PolarHBondContact O-N 3.12Å; L615-L618 PolarHBondContact O-N 2.91Å
619	E	90.8	Very high	91.3	Very high	82 Å²	82	62.2 Å²	62.2	38%	0.383	29%	0.292	S	S	.	.			trans	-94.8	-9.2	-179.5	-66.5	173.6	-172.4	0	0	113.1	K614 N617	K614-E619 HydrophobicContact CB-CB 4.03Å; K614-E619 HydrophobicContact CG-CB 4.42Å; K614-E619 WeakPolarHBondContact CG-OE2 3.26Å; K614-E619 WeakPolarHBondContact O-CB 3.5Å; K614-E619 PolarHBondContact O-N 2.89Å; N617-E619 HydrophobicContact CB-CG 3.85Å; N617-E619 PolarHBondContact O-N 3.08Å
620	I	91.1	Very high	90.9	Very high	34 Å²	34	64.7 Å²	64.7	17%	0.174	31%	0.307	C	S	.	.	S	Bend	trans	-94.5	127	174.9	-57.1	-175.1	0	0	0	108.5	F452 H486 K614 L615 P622	F452-I620 HydrophobicContact CD2-CG2 4.16Å; F452-I620 HydrophobicContact CE2-CB 4.24Å; F452-I620 HydrophobicContact CE2-CG2 3.86Å; H486-I620 PolarHBondContact CE1-O 2.99Å; H486-I620 VanDerWaalsContact CE1-O 3.31Å; K614-I620 HydrophobicContact CB-CD1 4.13Å; K614-I620 HydrophobicContact CB-CG1 3.76Å; L615-I620 HydrophobicContact CB-CD1 3.9Å; L615-I620 HydrophobicContact CD1-CB 4.32Å; L615-I620 HydrophobicContact CD1-CD1 4.16Å; I620-P622 WeakPolarHBondContact O-CD 3.36Å
621	Q	91.4	Very high	90.4	Very high	20 Å²	20	70.3 Å²	70.3	9%	0.093	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-66.8	127.6	179.5	-176.3	177.8	-37	0	0	111.2	S245 K246 G270 E273	S245-Q621 PolarHBondContact O-NE2 3.38Å; K246-Q621 VanDerWaalsContact C-NE2 3.34Å; K246-Q621 PolarHBondContact O-NE2 3.09Å; K246-Q621 PolarHBondContact O-OE1 2.84Å; G270-Q621 VanDerWaalsContact C-OE1 3.29Å; E273-Q621 HydrophobicContact CG-CB 4.43Å; E273-Q621 WeakPolarHBondContact OE1-CB 3.47Å; E273-Q621 PolarHBondContact OE1-N 2.93Å
622	P	94.1	Very high	90	Very high	14 Å²	14	72 Å²	72	9%	0.091	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-58.3	147.3	175.5	-28.5	37.7	0	0	0	113.3	F452 E484 H486 I620 F624	F452-P622 HydrophobicContact CE1-CB 4.1Å; F452-P622 HydrophobicContact CE1-CG 4.46Å; F452-P622 HydrophobicContact CZ-CB 4.01Å; F452-P622 HydrophobicContact CZ-CG 4Å; E484-P622 WeakPolarHBondContact O-CG 3.18Å; H486-P622 WeakPolarHBondContact NE2-CG 3.37Å; I620-P622 WeakPolarHBondContact O-CD 3.36Å; P622-F624 PolarHBondContact O-N 3.03Å
623	P	93	Very high	89.4	Confident	38 Å²	38	71.1 Å²	71.1	25%	0.247	33%	0.329	C	S	.	.	S	Bend	trans	-68.7	-17.3	178.6	27.6	-34.2	0	0	0	113.2	F293 V449 F452 Y453	F293-P623 HydrophobicContact CD1-CB 4.16Å; F293-P623 HydrophobicContact CE1-CB 3.79Å; V449-P623 HydrophobicContact CB-CB 4.45Å; V449-P623 HydrophobicContact CB-CG 4.42Å; V449-P623 HydrophobicContact CG1-CB 4.33Å; V449-P623 HydrophobicContact CG1-CG 3.95Å; V449-P623 HydrophobicContact CG2-CB 3.89Å; V449-P623 HydrophobicContact CG2-CG 4.38Å; F452-P623 HydrophobicContact CB-CG 4.37Å; F452-P623 HydrophobicContact CD1-CG 3.89Å; F452-P623 HydrophobicContact CE1-CG 4.5Å; F452-P623 HydrophobicContact CG-CG 4.21Å; Y453-P623 HydrophobicContact CE1-CG 4.44Å; Y453-P623 HydrophobicContact CE2-CG 4.18Å
624	F	90.9	Very high	88.9	Confident	48 Å²	48	66.1 Å²	66.1	21%	0.211	31%	0.307	C	S	.	.			trans	-140.9	134.6	-178.1	170	-105.7	0	0	0	109.7	L481 G485 P622 P626	L481-F624 HydrophobicContact CD1-CD1 4.09Å; L481-F624 HydrophobicContact CD1-CE1 4.2Å; G485-F624 WeakPolarHBondContact CA-O 3.36Å; P622-F624 PolarHBondContact O-N 3.03Å; F624-P626 HydrophobicContact CD1-CG 4.17Å; F624-P626 HydrophobicContact CE1-CB 4.08Å; F624-P626 HydrophobicContact CE1-CG 3.73Å
625	K	90.3	Very high	88.5	Confident	78 Å²	78	67 Å²	67	34%	0.339	32%	0.316	S	S	.	.			trans	-109.1	119	169.3	-178.8	162.2	-172.4	151.5	0	109.4	S245 E484	S245-K625 WeakPolarHBondContact OG-CD 3.47Å; E484-K625 IonicContact OE1-NZ 3.83Å; E484-K625 PolarHBondContact OE1-NZ 3.2Å; E484-K625 IonicContact OE2-NZ 3.59Å; E484-K625 PolarHBondContact OE2-NZ 2.75Å
626	P	90.5	Very high	88	Confident	5 Å²	5	68.5 Å²	68.5	3%	0.032	32%	0.323	C	S	.	.			trans	-58.7	144.3	176.2	-24.6	34.5	0	0	0	112.3	L481 D482 F624 I628	L481-P626 HydrophobicContact CB-CG 4.3Å; D482-P626 WeakPolarHBondContact O-CG 3.31Å; F624-P626 HydrophobicContact CD1-CG 4.17Å; F624-P626 HydrophobicContact CE1-CB 4.08Å; F624-P626 HydrophobicContact CE1-CG 3.73Å; P626-I628 HydrophobicContact CB-CD1 4.14Å; P626-I628 HydrophobicContact CB-CG1 4.38Å; P626-I628 PolarHBondContact O-N 2.91Å
627	R	85.7	Confident	87.4	Confident	219 Å²	219	68.4 Å²	68.4	83%	0.826	32%	0.318	S	S	*	.			trans	-82	112.5	175.4	-68.5	-177.4	179.1	-178.5	-0.5	108.9	N636	R627-N636 PolarHBondContact O-ND2 2.92Å
628	I	85.3	Confident	86.6	Confident	51 Å²	51	68.8 Å²	68.8	26%	0.262	32%	0.32	S	S	.	.			trans	-127.5	114.9	-178.5	-65.9	156	0	0	0	108.1	N431 S483 P626 N630 D633	N431-I628 WeakPolarHBondContact ND2-CD1 3.5Å; N431-I628 WeakPolarHBondContact OD1-CD1 3.48Å; S483-I628 VanDerWaalsContact CA-CD1 3.47Å; P626-I628 HydrophobicContact CB-CD1 4.14Å; P626-I628 HydrophobicContact CB-CG1 4.38Å; P626-I628 PolarHBondContact O-N 2.91Å; I628-N630 VanDerWaalsContact CG2-O 3.28Å; I628-N630 WeakPolarHBondContact CG2-O 3.39Å; I628-D633 HydrophobicContact CG2-CB 4.14Å
629	K	82.1	Confident	85.9	Confident	171 Å²	171	68.6 Å²	68.6	74%	0.743	32%	0.324	S	S	*	.	S	Bend	trans	-78.5	-35.4	-177.3	-65.9	175.1	-178.4	166.6	0	112.8	D633	K629-D633 WeakPolarHBondContact CB-OD2 3.22Å; K629-D633 PolarHBondContact N-OD2 3.12Å
630	N	82.8	Confident	85.3	Confident	90 Å²	90	69.6 Å²	69.6	48%	0.481	33%	0.329	S	S	.	.	S	Bend	trans	-157.6	170.7	-179.8	63.3	69.3	0	0	0	110.1	I628 R632 D633	I628-N630 VanDerWaalsContact CG2-O 3.28Å; I628-N630 WeakPolarHBondContact CG2-O 3.39Å; N630-R632 PolarHBondContact O-N 2.95Å; N630-R632 VanDerWaalsContact O-N 3.17Å; N630-R632 WeakPolarHBondContact OD1-CA 3.34Å; N630-R632 WeakPolarHBondContact OD1-CB 3.29Å; N630-R632 PolarHBondContact OD1-N 3.29Å; N630-D633 WeakPolarHBondContact O-CB 3.48Å; N630-D633 PolarHBondContact O-N 2.83Å; N630-D633 PolarHBondContact OD1-N 3.4Å; N630-D633 VanDerWaalsContact OD1-N 3.12Å
631	K	80.8	Confident	84.7	Confident	139 Å²	139	70.3 Å²	70.3	60%	0.604	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-32.1	-178	-66.7	-174.9	179.5	177.6	0	113.7	L374 D633	L374-K631 HydrophobicContact CD1-CB 3.71Å; L374-K631 WeakPolarHBondContact CD1-O 3.5Å; K631-D633 VanDerWaalsContact C-N 3.33Å
632	R	82.1	Confident	83.9	Confident	111 Å²	111	70.4 Å²	70.4	42%	0.419	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	10.1	-179.3	-59.4	179.9	-177.6	171.1	0.4	112.8	L352 E367 L374 N630 V634	L352-R632 HydrophobicContact CD1-CG 4.4Å; E367-R632 VanDerWaalsContact CD-NH2 3.29Å; E367-R632 IonicContact OE1-CZ 3.54Å; E367-R632 IonicContact OE1-NE 3.65Å; E367-R632 IonicContact OE1-NH2 2.67Å; E367-R632 PolarHBondContact OE1-NH2 3.13Å; E367-R632 IonicContact OE2-CZ 3.98Å; E367-R632 IonicContact OE2-NH2 3.18Å; E367-R632 PolarHBondContact OE2-NH2 2.9Å; L374-R632 HydrophobicContact CD1-CB 4.48Å; L374-R632 HydrophobicContact CD1-CG 3.83Å; L374-R632 HydrophobicContact CD2-CG 4.22Å; N630-R632 PolarHBondContact O-N 2.95Å; N630-R632 VanDerWaalsContact O-N 3.17Å; N630-R632 WeakPolarHBondContact OD1-CA 3.34Å; N630-R632 WeakPolarHBondContact OD1-CB 3.29Å; N630-R632 PolarHBondContact OD1-N 3.29Å; R632-V634 PolarHBondContact O-N 3.23Å
633	D	82.1	Confident	83.1	Confident	9 Å²	9	77.6 Å²	77.6	5%	0.048	36%	0.362	C	S	.	.			trans	-68.1	119.9	-176.2	-168.4	-3.2	0	0	0	111.1	Y429 I628 K629 N630 K631 N635	Y429-D633 PolarHBondContact OH-O 3.37Å; I628-D633 HydrophobicContact CG2-CB 4.14Å; K629-D633 WeakPolarHBondContact CB-OD2 3.22Å; K629-D633 PolarHBondContact N-OD2 3.12Å; N630-D633 WeakPolarHBondContact O-CB 3.48Å; N630-D633 PolarHBondContact O-N 2.83Å; N630-D633 PolarHBondContact OD1-N 3.4Å; N630-D633 VanDerWaalsContact OD1-N 3.12Å; K631-D633 VanDerWaalsContact C-N 3.33Å; D633-N635 WeakPolarHBondContact OD1-CB 3.45Å; D633-N635 PolarHBondContact OD1-N 2.8Å; D633-N635 PolarHBondContact OD1-ND2 2.98Å; D633-N635 PolarHBondContact OD2-ND2 2.67Å
634	V	82.9	Confident	81.7	Confident	18 Å²	18	81.2 Å²	81.2	11%	0.109	37%	0.371	C	S	.	.			trans	-110.2	13.7	178.5	-63.3	0	0	0	0	112.6	F353 L355 L365 R632 N636 F637 T642	F353-V634 HydrophobicContact CB-CG1 4.4Å; F353-V634 HydrophobicContact CD2-CG1 4.04Å; F353-V634 HydrophobicContact CD2-CG2 4.49Å; F353-V634 HydrophobicContact CG-CG1 4.43Å; L355-V634 HydrophobicContact CD2-CG1 3.92Å; L365-V634 HydrophobicContact CD2-CG1 3.88Å; R632-V634 PolarHBondContact O-N 3.23Å; V634-N636 PolarHBondContact O-N 3.45Å; V634-N636 VanDerWaalsContact O-N 3.16Å; V634-F637 HydrophobicContact CB-CD2 4.11Å; V634-F637 WeakPolarHBondContact O-CB 3.07Å; V634-F637 PolarHBondContact O-N 2.84Å; V634-T642 HydrophobicContact CB-CG2 3.68Å; V634-T642 HydrophobicContact CG1-CG2 4.46Å; V634-T642 HydrophobicContact CG2-CG2 3.69Å
635	N	84	Confident	80	Confident	101 Å²	101	85.7 Å²	85.7	54%	0.54	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-20	-177.5	-71.5	-40.9	0	0	0	114.2	D633 F637	D633-N635 WeakPolarHBondContact OD1-CB 3.45Å; D633-N635 PolarHBondContact OD1-N 2.8Å; D633-N635 PolarHBondContact OD1-ND2 2.98Å; D633-N635 PolarHBondContact OD2-ND2 2.67Å; N635-F637 VanDerWaalsContact C-N 3.3Å
636	N	84.3	Confident	78.3	Confident	31 Å²	31	84.6 Å²	84.6	17%	0.166	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	4.1	176.8	-56.4	-49.2	0	0	0	113	N431 G433 R627 V634	N431-N636 PolarHBondContact O-ND2 3.19Å; G433-N636 WeakPolarHBondContact CA-O 3.37Å; R627-N636 PolarHBondContact O-ND2 2.92Å; V634-N636 PolarHBondContact O-N 3.45Å; V634-N636 VanDerWaalsContact O-N 3.16Å
637	F	82.5	Confident	77.7	Confident	38 Å²	38	88.6 Å²	88.6	17%	0.167	43%	0.426	C	S	.	.	S	Bend	trans	-107.8	157.7	175.5	-62.8	-95.3	0	0	0	110.1	L355 Y429 V430 V634 N635 S639 T642	L355-F637 HydrophobicContact CB-CD1 4.1Å; L355-F637 HydrophobicContact CB-CE1 4.12Å; L355-F637 HydrophobicContact CD1-CE1 4.37Å; L355-F637 HydrophobicContact CD1-CZ 4.46Å; L355-F637 HydrophobicContact CD2-CD1 3.95Å; L355-F637 HydrophobicContact CD2-CD2 4.06Å; L355-F637 HydrophobicContact CD2-CE1 3.94Å; L355-F637 HydrophobicContact CD2-CE2 4.07Å; L355-F637 HydrophobicContact CD2-CG 4Å; L355-F637 HydrophobicContact CD2-CZ 3.99Å; L355-F637 HydrophobicContact CG-CE1 4.37Å; Y429-F637 AromaticContact CE2-CE2 3.79Å; Y429-F637 HydrophobicContact CE2-CE2 3.79Å; Y429-F637 AromaticContact CE2-CZ 3.54Å; Y429-F637 HydrophobicContact CE2-CZ 3.54Å; Y429-F637 AromaticContact CZ-CE2 3.9Å; Y429-F637 VanDerWaalsContact OH-CE2 3.24Å; Y429-F637 WeakPolarHBondContact OH-CE2 3.36Å; V430-F637 VanDerWaalsContact O-CZ 3.29Å; V430-F637 WeakPolarHBondContact O-CZ 3.23Å; V634-F637 HydrophobicContact CB-CD2 4.11Å; V634-F637 WeakPolarHBondContact O-CB 3.07Å; V634-F637 PolarHBondContact O-N 2.84Å; N635-F637 VanDerWaalsContact C-N 3.3Å; F637-S639 PolarHBondContact O-N 3.44Å; F637-T642 HydrophobicContact CB-CG2 3.87Å
638	D	79.1	Confident	77.3	Confident	85 Å²	85	81.7 Å²	81.7	46%	0.455	41%	0.405	S	S	.	.			trans	-57.2	128.1	177.1	-165.8	-25.8	0	0	0	111.1	E640 F641 T642	D638-E640 PolarHBondContact O-N 3.26Å; D638-E640 WeakPolarHBondContact OD1-CB 3.37Å; D638-E640 PolarHBondContact OD1-N 3.16Å; D638-F641 HydrophobicContact CB-CD2 3.66Å; D638-F641 HydrophobicContact CB-CE2 3.89Å; D638-F641 PolarHBondContact O-N 2.98Å; D638-F641 VanDerWaalsContact O-N 3.13Å; D638-T642 PolarHBondContact O-N 2.94Å; D638-T642 PolarHBondContact O-OG1 2.84Å
639	S	78.2	Confident	76.8	Confident	59 Å²	59	83.4 Å²	83.4	41%	0.413	41%	0.413	S	S	.	.	H	α-helix	trans	-60.7	-23.2	176.2	77.7	0	0	0	0	113.1	F637 F641 T642 K643	F637-S639 PolarHBondContact O-N 3.44Å; S639-F641 VanDerWaalsContact C-N 3.32Å; S639-T642 WeakPolarHBondContact CA-OG1 3.06Å; S639-K643 WeakPolarHBondContact O-CB 3.4Å; S639-K643 WeakPolarHBondContact O-CD 3.4Å; S639-K643 WeakPolarHBondContact O-CG 3.49Å; S639-K643 PolarHBondContact O-N 3.22Å
640	E	78.3	Confident	76.5	Confident	103 Å²	103	78.2 Å²	78.2	48%	0.481	39%	0.394	S	S	.	.	H	α-helix	trans	-63.5	-38.2	175.1	-162.4	-161.8	136.8	0	0	111.7	D638 R644	D638-E640 PolarHBondContact O-N 3.26Å; D638-E640 WeakPolarHBondContact OD1-CB 3.37Å; D638-E640 PolarHBondContact OD1-N 3.16Å; E640-R644 IonicContact OE1-CZ 2.74Å; E640-R644 IonicContact OE1-NH1 2.73Å; E640-R644 IonicContact OE1-NH2 2.73Å; E640-R644 PolarHBondContact OE1-NH2 3.17Å
641	F	77.1	Confident	76.1	Confident	48 Å²	48	77.5 Å²	77.5	21%	0.211	39%	0.388	C	S	.	.	H	α-helix	trans	-81.2	-45.9	179.9	-57.6	-53.6	0	0	0	111.6	V354 K357 D638 S639 K643 R644	V354-F641 HydrophobicContact CG1-CB 4.37Å; V354-F641 CarbonylContact O-C 3.11Å; V354-F641 VanDerWaalsContact O-C 3.23Å; V354-F641 WeakPolarHBondContact O-CB 3.28Å; K357-F641 HydrophobicContact CB-CE1 4.27Å; D638-F641 HydrophobicContact CB-CD2 3.66Å; D638-F641 HydrophobicContact CB-CE2 3.89Å; D638-F641 PolarHBondContact O-N 2.98Å; D638-F641 VanDerWaalsContact O-N 3.13Å; S639-F641 VanDerWaalsContact C-N 3.32Å; F641-K643 VanDerWaalsContact C-N 3.3Å; F641-K643 PolarHBondContact O-N 2.93Å; F641-R644 WeakPolarHBondContact O-CB 3.13Å; F641-R644 PolarHBondContact O-N 3.33Å; F641-R644 VanDerWaalsContact O-N 3.11Å
642	T	75.9	Confident	75.8	Confident	22 Å²	22	73.4 Å²	73.4	14%	0.135	37%	0.374	C	S	.	.	H	α-helix	trans	-70.5	-22.9	-172.2	56.6	0	0	0	0	113.9	F353 V354 V634 F637 D638 S639 R644	F353-T642 WeakPolarHBondContact CD1-O 3.18Å; V354-T642 PolarHBondContact O-N 2.62Å; V634-T642 HydrophobicContact CB-CG2 3.68Å; V634-T642 HydrophobicContact CG1-CG2 4.46Å; V634-T642 HydrophobicContact CG2-CG2 3.69Å; F637-T642 HydrophobicContact CB-CG2 3.87Å; D638-T642 PolarHBondContact O-N 2.94Å; D638-T642 PolarHBondContact O-OG1 2.84Å; S639-T642 WeakPolarHBondContact CA-OG1 3.06Å; T642-R644 VanDerWaalsContact C-N 3.27Å; T642-R644 PolarHBondContact O-N 2.88Å
643	K	77.2	Confident	75.4	Confident	165 Å²	165	70.7 Å²	70.7	72%	0.717	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-14	173.5	-73.9	172	-173.3	163.7	0	113.9	S639 F641	S639-K643 WeakPolarHBondContact O-CB 3.4Å; S639-K643 WeakPolarHBondContact O-CD 3.4Å; S639-K643 WeakPolarHBondContact O-CG 3.49Å; S639-K643 PolarHBondContact O-N 3.22Å; F641-K643 VanDerWaalsContact C-N 3.3Å; F641-K643 PolarHBondContact O-N 2.93Å
644	R	62.4	Low	74.8	Confident	115 Å²	115	75.5 Å²	75.5	43%	0.434	40%	0.396	S	S	.	.	S	Bend	trans	-84.1	123.4	178.1	-63.5	179	177.2	153.5	7.6	109.1	V354 E640 F641 T642 A646	V354-R644 HydrophobicContact CG2-CB 4.49Å; E640-R644 IonicContact OE1-CZ 2.74Å; E640-R644 IonicContact OE1-NH1 2.73Å; E640-R644 IonicContact OE1-NH2 2.73Å; E640-R644 PolarHBondContact OE1-NH2 3.17Å; F641-R644 WeakPolarHBondContact O-CB 3.13Å; F641-R644 PolarHBondContact O-N 3.33Å; F641-R644 VanDerWaalsContact O-N 3.11Å; T642-R644 VanDerWaalsContact C-N 3.27Å; T642-R644 PolarHBondContact O-N 2.88Å; R644-A646 PolarHBondContact O-N 3.22Å
645	T	56.2	Low	74.2	Confident	142 Å²	142	80.3 Å²	80.3	87%	0.871	42%	0.42	S	S	*	.	B	Isolated β-bridge	trans	-58.7	136	168.3	6.9	0	0	0	0	110
646	A	54.7	Low	73.3	Confident	54 Å²	54	78.4 Å²	78.4	45%	0.446	41%	0.409	S	S	.	.			trans	-56	0	-170.3	0	0	0	0	0	115.5	F351 K362 I364 R644	F351-A646 HydrophobicContact CB-CB 3.87Å; K362-A646 PolarHBondContact NZ-OXT 3.34Å; I364-A646 HydrophobicContact CD1-CB 4.48Å; I364-A646 HydrophobicContact CG2-CB 3.93Å; R644-A646 PolarHBondContact O-N 3.22Å

Retrieved 646 of 646 residues in 156.3 ms (Link to these results)

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