A0A077Z0Q9_TRITR Loading...

Cathepsin F

AlphaFold DB , UniProt , Accession A0A077Z0Q9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 619 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.1	Very low	35.1	Very low	239 Å²	239	156 Å²	156	100%	1.177	84%	0.836	S	S	*	*				0	79	0	-63.4	178.8	177	0	0	107
2	L	33.3	Very low	35.2	Very low	155 Å²	155	154.3 Å²	154.3	81%	0.812	84%	0.835	S	S	*	*				75.4	100.2	88.5	-94.7	133.3	0	0	0	116.9
3	R	33	Very low	35.1	Very low	221 Å²	221	149.5 Å²	149.5	83%	0.834	83%	0.83	S	S	*	*				72.2	119.9	126.3	-82.6	-166.5	-172.9	-175.6	-0.7	124.7
4	T	35.8	Very low	35.2	Very low	127 Å²	127	145.1 Å²	145.1	78%	0.779	82%	0.822	S	S	*	*				56.2	121.2	128.3	33	0	0	0	0	126.1
5	A	39.1	Very low	35.1	Very low	90 Å²	90	143.9 Å²	143.9	74%	0.744	82%	0.819	S	S	*	*				52.6	136.4	123	0	0	0	0	0	127
6	C	33.9	Very low	35.2	Very low	127 Å²	127	144.9 Å²	144.9	86%	0.858	82%	0.82	S	S	*	*			trans	72.4	134.4	151.5	-74.3	0	0	0	0	122.4
7	V	38.2	Very low	35.3	Very low	133 Å²	133	142.4 Å²	142.4	81%	0.806	81%	0.814	S	S	*	*			trans	170.3	120.8	136.6	159.4	0	0	0	0	113
8	V	34.3	Very low	35.3	Very low	111 Å²	111	143.2 Å²	143.2	67%	0.673	82%	0.815	S	S	*	*			trans	27.1	134.6	137.2	-169.2	0	0	0	0	123.2
9	F	35.6	Very low	35.3	Very low	199 Å²	199	141.6 Å²	141.6	87%	0.873	81%	0.811	S	S	*	*				179.2	146	120.6	-107.4	-83	0	0	0	114.7
10	L	33.9	Very low	35.2	Very low	148 Å²	148	139.5 Å²	139.5	78%	0.775	81%	0.811	S	S	*	*			trans	-87.4	157.5	-168	-74.4	134.8	0	0	0	116.2
11	L	34.9	Very low	35.2	Very low	166 Å²	166	139.1 Å²	139.1	87%	0.869	81%	0.811	S	S	*	*				169.8	116.1	125	-91	155.9	0	0	0	115.8
12	V	35.8	Very low	35	Very low	136 Å²	136	132.9 Å²	132.9	82%	0.824	79%	0.788	S	S	*	*			trans	22.1	122.2	146.6	-171.3	0	0	0	0	122.8
13	A	34.8	Very low	35	Very low	92 Å²	92	130.5 Å²	130.5	76%	0.76	79%	0.785	S	S	*	*				170.6	147.3	113.3	0	0	0	0	0	114.1
14	A	35.8	Very low	34.9	Very low	88 Å²	88	126.1 Å²	126.1	73%	0.727	78%	0.783	S	S	*	*			trans	85.4	104.8	156.7	0	0	0	0	0	121.7
15	T	33.8	Very low	34.9	Very low	127 Å²	127	124.8 Å²	124.8	78%	0.779	77%	0.774	S	S	*	*				62.6	130.4	129.9	60.9	0	0	0	0	122.6
16	L	36.9	Very low	34.6	Very low	159 Å²	159	126 Å²	126	83%	0.832	77%	0.773	S	S	*	*			trans	102.8	123.1	152.8	-63.5	161.4	0	0	0	118.7
17	S	36.3	Very low	34.8	Very low	102 Å²	102	123 Å²	123	71%	0.713	75%	0.753	S	S	*	*			trans	65.7	105	148.1	54.8	0	0	0	0	120.1
18	N	35.4	Very low	34.7	Very low	157 Å²	157	126.3 Å²	126.3	84%	0.84	75%	0.751	S	S	*	*				152.6	150.1	115.2	-93.5	-21.4	0	0	0	112.2
19	P	35.6	Very low	34.9	Very low	113 Å²	113	127.4 Å²	127.4	73%	0.734	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-81.8	143.8	-148.3	32.2	-33.9	0	0	0	113.3
20	A	34.4	Very low	35	Very low	99 Å²	99	120.2 Å²	120.2	82%	0.818	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-71	131	169.3	0	0	0	0	0	110.4
21	V	34.3	Very low	35.2	Very low	132 Å²	132	118.8 Å²	118.8	80%	0.8	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-56.8	125.8	172.6	175.9	0	0	0	0	109.8	S23	V21-S23 PolarHBondContact O-N 3.43Å
22	P	31	Very low	35.2	Very low	109 Å²	109	117 Å²	117	71%	0.708	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-71.2	124.7	165.6	-4.6	20.7	0	0	0	108.2	T24	P22-T24 PolarHBondContact O-N 3.03Å; P22-T24 VanDerWaalsContact O-N 3.09Å
23	S	32.2	Very low	35.2	Very low	105 Å²	105	116.6 Å²	116.6	73%	0.734	72%	0.719	S	S	*	*			trans	-54.4	112.9	165.1	48.9	0	0	0	0	109	V21 T25	V21-S23 PolarHBondContact O-N 3.43Å; S23-T25 PolarHBondContact O-N 3.09Å
24	T	30.8	Very low	35.8	Very low	129 Å²	129	114.4 Å²	114.4	79%	0.791	71%	0.705	S	S	*	*			trans	-67.9	98.1	172.7	38.4	0	0	0	0	109.3	P22 T26	P22-T24 PolarHBondContact O-N 3.03Å; P22-T24 VanDerWaalsContact O-N 3.09Å; T24-T26 PolarHBondContact O-N 3.11Å; T24-T26 VanDerWaalsContact O-N 3.11Å
25	T	35.1	Very low	37.1	Very low	98 Å²	98	113.2 Å²	113.2	60%	0.601	69%	0.687	S	S	*	*			trans	-67.3	100.7	165	-41.8	0	0	0	0	107.6	S23 S27	S23-T25 PolarHBondContact O-N 3.09Å; T25-S27 PolarHBondContact O-N 3.46Å
26	T	33.6	Very low	38.9	Very low	117 Å²	117	114 Å²	114	72%	0.718	68%	0.679	S	S	*	*			trans	-71.3	93.1	172.4	32.4	0	0	0	0	109.2	T24 R28	T24-T26 PolarHBondContact O-N 3.11Å; T24-T26 VanDerWaalsContact O-N 3.11Å; T26-R28 PolarHBondContact O-N 3.16Å; T26-R28 VanDerWaalsContact O-N 3.07Å
27	S	39	Very low	40.5	Very low	62 Å²	62	109.7 Å²	109.7	43%	0.434	66%	0.655	S	S	.	*			trans	-62	104.2	162.9	172.8	0	0	0	0	108.3	T25 L29	T25-S27 PolarHBondContact O-N 3.46Å; S27-L29 PolarHBondContact O-N 3.25Å
28	R	34.8	Very low	42.5	Very low	204 Å²	204	104.9 Å²	104.9	77%	0.77	62%	0.622	S	S	*	*	B	Isolated β-bridge	trans	-78.9	101.6	163.7	-115.4	-177	-176.4	-175.3	2.2	106.2	T26 V30	T26-R28 PolarHBondContact O-N 3.16Å; T26-R28 VanDerWaalsContact O-N 3.07Å; R28-V30 VanDerWaalsContact C-N 3.29Å; R28-V30 PolarHBondContact O-N 3.4Å
29	L	39.2	Very low	44.5	Very low	133 Å²	133	100.5 Å²	100.5	70%	0.696	60%	0.596	S	S	*	*			trans	-61.4	98.3	159.9	-95.6	143.5	0	0	0	107.1	S27 S31	S27-L29 PolarHBondContact O-N 3.25Å; L29-S31 VanDerWaalsContact C-N 3.26Å; L29-S31 PolarHBondContact O-N 2.84Å
30	V	37.5	Very low	46.7	Very low	49 Å²	49	100.3 Å²	100.3	30%	0.297	59%	0.585	S	S	.	*			trans	-70.9	89.1	176.3	-179	0	0	0	0	107.5	R28 D32 D35 L67	R28-V30 VanDerWaalsContact C-N 3.29Å; R28-V30 PolarHBondContact O-N 3.4Å; V30-D32 VanDerWaalsContact C-N 3.28Å; V30-D35 HydrophobicContact CG1-CB 4.16Å; V30-L67 HydrophobicContact CG2-CB 4.12Å
31	S	37.2	Very low	49	Very low	118 Å²	118	96.1 Å²	96.1	83%	0.825	55%	0.551	S	S	*	*			trans	-92.6	26.1	170.8	57.7	0	0	0	0	112.4	L29	L29-S31 VanDerWaalsContact C-N 3.26Å; L29-S31 PolarHBondContact O-N 2.84Å
32	D	36.6	Very low	51.5	Low	127 Å²	127	89.9 Å²	89.9	68%	0.679	51%	0.513	S	S	*	.	S	Bend	trans	-112.9	124	175.6	-146.9	-10.2	0	0	0	110.6	V30 G34	V30-D32 VanDerWaalsContact C-N 3.28Å; D32-G34 PolarHBondContact O-N 2.87Å
33	P	34.3	Very low	54.2	Low	128 Å²	128	86.7 Å²	86.7	83%	0.831	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	34.8	-177.1	-20.3	33.2	0	0	0	116.7
34	G	48.4	Very low	56.6	Low	47 Å²	47	87.1 Å²	87.1	49%	0.485	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-174.8	37.1	-173	0	0	0	0	0	116	D32 K36	D32-G34 PolarHBondContact O-N 2.87Å; G34-K36 PolarHBondContact O-N 3.13Å
35	D	63.4	Low	59.3	Low	62 Å²	62	81.1 Å²	81.1	33%	0.332	44%	0.44	S	S	.	.			trans	-69.3	84.8	156.8	-157.6	-15.7	0	0	0	107.7	V30 E37 A38 E39	V30-D35 HydrophobicContact CG1-CB 4.16Å; D35-E37 PolarHBondContact O-N 3.36Å; D35-E37 VanDerWaalsContact O-N 3.13Å; D35-A38 HydrophobicContact CB-CB 4.14Å; D35-A38 WeakPolarHBondContact O-CB 3.36Å; D35-A38 PolarHBondContact O-N 2.75Å; D35-E39 PolarHBondContact O-N 2.82Å
36	K	70.9	Confident	61.8	Low	144 Å²	144	76.5 Å²	76.5	63%	0.626	41%	0.411	S	S	*	.	H	α-helix	trans	-56.7	-30.3	-171.7	-158.1	-174.8	177.3	-163.3	0	110.5	G34 E40	G34-K36 PolarHBondContact O-N 3.13Å; K36-E40 WeakPolarHBondContact CE-OE1 3.33Å; K36-E40 IonicContact NZ-OE1 2.7Å; K36-E40 VanDerWaalsContact O-CB 3.23Å; K36-E40 WeakPolarHBondContact O-CB 3.27Å; K36-E40 WeakPolarHBondContact O-CG 3.28Å; K36-E40 PolarHBondContact O-N 3.03Å
37	E	70.8	Confident	64.3	Low	68 Å²	68	72.8 Å²	72.8	32%	0.318	39%	0.389	S	S	.	.	H	α-helix	trans	-65.4	-47.8	174.5	-169.9	175.4	169	0	0	111.7	D35 E39 E40 A41 R122	D35-E37 PolarHBondContact O-N 3.36Å; D35-E37 VanDerWaalsContact O-N 3.13Å; E37-E39 VanDerWaalsContact C-N 3.34Å; E37-E39 PolarHBondContact O-N 2.58Å; E37-E40 PolarHBondContact O-N 2.81Å; E37-A41 WeakPolarHBondContact O-CB 3.41Å; E37-A41 PolarHBondContact O-N 3.45Å; E37-R122 VanDerWaalsContact CD-NH2 3.29Å; E37-R122 IonicContact OE1-CZ 3.48Å; E37-R122 IonicContact OE1-NE 2.83Å; E37-R122 IonicContact OE1-NH2 2.8Å; E37-R122 PolarHBondContact OE1-NH2 2.9Å; E37-R122 IonicContact OE2-NH2 3.41Å; E37-R122 PolarHBondContact OE2-NH2 3.45Å
38	A	77.2	Confident	66.3	Low	2 Å²	2	72.7 Å²	72.7	2%	0.017	38%	0.383	C	S	.	.	H	α-helix	trans	-65.7	-37.1	176.8	0	0	0	0	0	112.2	D35 A42 I64 L67 L79	D35-A38 HydrophobicContact CB-CB 4.14Å; D35-A38 WeakPolarHBondContact O-CB 3.36Å; D35-A38 PolarHBondContact O-N 2.75Å; A38-A42 WeakPolarHBondContact O-CB 3.38Å; A38-A42 PolarHBondContact O-N 3.12Å; A38-I64 HydrophobicContact CB-CD1 3.7Å; A38-L67 HydrophobicContact CB-CD2 4.31Å; A38-L79 HydrophobicContact CB-CD1 3.99Å; A38-L79 HydrophobicContact CB-CD2 4.44Å; A38-L79 VanDerWaalsContact O-CD2 3.31Å; A38-L79 WeakPolarHBondContact O-CD2 3.48Å
39	E	79	Confident	68.7	Low	65 Å²	65	64.5 Å²	64.5	30%	0.304	35%	0.352	S	S	.	.	H	α-helix	trans	-67.8	-43.8	175.6	-166.5	178.2	173.5	0	0	111.7	D35 E37 A42 Y43 L61 I64	D35-E39 PolarHBondContact O-N 2.82Å; E37-E39 VanDerWaalsContact C-N 3.34Å; E37-E39 PolarHBondContact O-N 2.58Å; E39-A42 PolarHBondContact O-N 3.41Å; E39-Y43 HydrophobicContact CG-CD2 4.36Å; E39-Y43 HydrophobicContact CG-CE1 4.03Å; E39-Y43 HydrophobicContact CG-CE2 3.74Å; E39-Y43 WeakPolarHBondContact O-CB 3.35Å; E39-Y43 WeakPolarHBondContact O-CD1 3.16Å; E39-Y43 PolarHBondContact O-N 3.22Å; E39-Y43 VanDerWaalsContact OE1-CZ 3.23Å; E39-Y43 PolarHBondContact OE1-OH 2.95Å; E39-L61 HydrophobicContact CG-CD2 4.14Å; E39-I64 HydrophobicContact CB-CD1 4.32Å
40	E	81.8	Confident	71	Confident	108 Å²	108	58.6 Å²	58.6	51%	0.505	32%	0.321	S	S	.	.	H	α-helix	trans	-63.2	-43.2	175.3	-76.2	172.7	-170.9	0	0	111.6	K36 E37 Y43 F44	K36-E40 WeakPolarHBondContact CE-OE1 3.33Å; K36-E40 IonicContact NZ-OE1 2.7Å; K36-E40 VanDerWaalsContact O-CB 3.23Å; K36-E40 WeakPolarHBondContact O-CB 3.27Å; K36-E40 WeakPolarHBondContact O-CG 3.28Å; K36-E40 PolarHBondContact O-N 3.03Å; E37-E40 PolarHBondContact O-N 2.81Å; E40-Y43 PolarHBondContact O-N 3.05Å; E40-F44 PolarHBondContact O-N 2.91Å
41	A	82.7	Confident	73.2	Confident	12 Å²	12	62.6 Å²	62.6	10%	0.099	34%	0.337	C	S	.	.	H	α-helix	trans	-62.2	-43.7	175	0	0	0	0	0	112.1	E37 Y43 F44 A45 L79 I120	E37-A41 WeakPolarHBondContact O-CB 3.41Å; E37-A41 PolarHBondContact O-N 3.45Å; A41-Y43 VanDerWaalsContact C-N 3.35Å; A41-Y43 PolarHBondContact O-N 2.93Å; A41-F44 PolarHBondContact O-N 3.04Å; A41-A45 PolarHBondContact O-N 3.07Å; A41-L79 HydrophobicContact CB-CD2 3.96Å; A41-I120 HydrophobicContact CB-CD1 3.48Å; A41-I120 VanDerWaalsContact CB-CD1 3.48Å; A41-I120 HydrophobicContact CB-CG1 4.27Å
42	A	85.4	Confident	75.3	Confident	0 Å²	0	64 Å²	64	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-63	-39.9	174.5	0	0	0	0	0	111.9	A38 E39 A45 L46 L61 L79 F81	A38-A42 WeakPolarHBondContact O-CB 3.38Å; A38-A42 PolarHBondContact O-N 3.12Å; E39-A42 PolarHBondContact O-N 3.41Å; A42-A45 PolarHBondContact O-N 2.99Å; A42-L46 VanDerWaalsContact O-CB 3.25Å; A42-L46 WeakPolarHBondContact O-CB 3.45Å; A42-L46 VanDerWaalsContact O-CG 3.22Å; A42-L46 WeakPolarHBondContact O-CG 3.28Å; A42-L46 PolarHBondContact O-N 3.37Å; A42-L61 HydrophobicContact CB-CD1 3.92Å; A42-L61 HydrophobicContact CB-CD2 4.07Å; A42-L79 HydrophobicContact CB-CD2 4.2Å; A42-F81 HydrophobicContact CB-CD1 4.33Å; A42-F81 HydrophobicContact CB-CD2 4.08Å; A42-F81 HydrophobicContact CB-CE1 4.42Å; A42-F81 HydrophobicContact CB-CE2 4.16Å; A42-F81 HydrophobicContact CB-CG 4.14Å; A42-F81 HydrophobicContact CB-CZ 4.31Å
43	Y	87.7	Confident	77.4	Confident	42 Å²	42	59.1 Å²	59.1	17%	0.165	31%	0.306	C	S	.	.	H	α-helix	trans	-66.1	-39.2	176.8	-71.6	-7.1	0	0	0	112.8	E39 E40 A41 L46 T47 L61 Y98 Q102	E39-Y43 HydrophobicContact CG-CD2 4.36Å; E39-Y43 HydrophobicContact CG-CE1 4.03Å; E39-Y43 HydrophobicContact CG-CE2 3.74Å; E39-Y43 WeakPolarHBondContact O-CB 3.35Å; E39-Y43 WeakPolarHBondContact O-CD1 3.16Å; E39-Y43 PolarHBondContact O-N 3.22Å; E39-Y43 VanDerWaalsContact OE1-CZ 3.23Å; E39-Y43 PolarHBondContact OE1-OH 2.95Å; E40-Y43 PolarHBondContact O-N 3.05Å; A41-Y43 VanDerWaalsContact C-N 3.35Å; A41-Y43 PolarHBondContact O-N 2.93Å; Y43-L46 PolarHBondContact O-N 3.22Å; Y43-T47 PolarHBondContact O-N 3.42Å; Y43-T47 PolarHBondContact O-OG1 2.87Å; Y43-L61 HydrophobicContact CD1-CB 4.31Å; Y43-L61 HydrophobicContact CD1-CD2 3.97Å; Y43-L61 HydrophobicContact CE1-CB 3.83Å; Y43-L61 HydrophobicContact CE1-CD2 3.42Å; Y43-L61 VanDerWaalsContact CE1-CD2 3.42Å; Y43-L61 HydrophobicContact CE1-CG 4.26Å; Y43-Y98 AromaticContact CD1-CD1 3.85Å; Y43-Y98 HydrophobicContact CD1-CD1 3.85Å; Y43-Y98 AromaticContact CD1-CE1 3.23Å; Y43-Y98 HydrophobicContact CD1-CE1 3.23Å; Y43-Y98 HydrophobicContact CD2-CE1 4.47Å; Y43-Y98 HydrophobicContact CE1-CD1 4.49Å; Y43-Y98 AromaticContact CE1-CE1 3.58Å; Y43-Y98 HydrophobicContact CE1-CE1 3.58Å; Y43-Y98 AromaticContact CG-CD1 3.86Å; Y43-Y98 HydrophobicContact CG-CD1 3.86Å; Y43-Y98 AromaticContact CG-CE1 3.72Å; Y43-Y98 HydrophobicContact CG-CE1 3.72Å; Y43-Q102 PolarHBondContact OH-NE2 3.47Å; Y43-Q102 PolarHBondContact OH-OE1 3.1Å
44	F	84.3	Confident	79.7	Confident	114 Å²	114	61 Å²	61	50%	0.5	31%	0.31	S	S	.	.	H	α-helix	trans	-62.7	-50.8	173.7	-175.9	-85.3	0	0	0	111	E40 A41 L46 T47 L48 L135	E40-F44 PolarHBondContact O-N 2.91Å; A41-F44 PolarHBondContact O-N 3.04Å; F44-L46 VanDerWaalsContact C-N 3.25Å; F44-L46 PolarHBondContact O-N 2.77Å; F44-T47 VanDerWaalsContact O-CB 3.31Å; F44-T47 WeakPolarHBondContact O-CB 3.22Å; F44-T47 PolarHBondContact O-N 3.36Å; F44-L48 HydrophobicContact CD1-CD1 4.14Å; F44-L48 HydrophobicContact CE1-CD1 3.6Å; F44-L48 HydrophobicContact CE1-CG 4.3Å; F44-L48 HydrophobicContact CZ-CD1 4.36Å; F44-L48 PolarHBondContact O-N 2.81Å; F44-L135 HydrophobicContact CB-CD1 4.26Å; F44-L135 HydrophobicContact CD1-CD1 3.05Å; F44-L135 HydrophobicContact CE1-CD1 3.48Å; F44-L135 VanDerWaalsContact CE1-CD1 3.48Å; F44-L135 HydrophobicContact CG-CD1 3.86Å
45	A	85.6	Confident	81.4	Confident	4 Å²	4	60.7 Å²	60.7	3%	0.033	30%	0.295	C	S	.	.	H	α-helix	trans	-60.8	-35.1	177.9	0	0	0	0	0	112.8	A41 A42 T47 L48 Y49 F81 L118 F138	A41-A45 PolarHBondContact O-N 3.07Å; A42-A45 PolarHBondContact O-N 2.99Å; A45-T47 VanDerWaalsContact C-N 3.33Å; A45-L48 PolarHBondContact O-N 3.14Å; A45-Y49 WeakPolarHBondContact O-CB 3.46Å; A45-Y49 PolarHBondContact O-N 3.07Å; A45-F81 HydrophobicContact CB-CZ 4.1Å; A45-L118 HydrophobicContact CB-CD2 3.33Å; A45-F138 HydrophobicContact CB-CD2 4.01Å; A45-F138 HydrophobicContact CB-CE2 3.88Å; A45-F138 HydrophobicContact CB-CG 4.43Å; A45-F138 HydrophobicContact CB-CZ 4.22Å
46	L	88.3	Confident	82.6	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-71.5	-25.1	175.4	-80.8	174.5	0	0	0	114.3	A42 Y43 F44 N50 V59 L61 F81 V83 Y98	A42-L46 VanDerWaalsContact O-CB 3.25Å; A42-L46 WeakPolarHBondContact O-CB 3.45Å; A42-L46 VanDerWaalsContact O-CG 3.22Å; A42-L46 WeakPolarHBondContact O-CG 3.28Å; A42-L46 PolarHBondContact O-N 3.37Å; Y43-L46 PolarHBondContact O-N 3.22Å; F44-L46 VanDerWaalsContact C-N 3.25Å; F44-L46 PolarHBondContact O-N 2.77Å; L46-N50 VanDerWaalsContact O-CB 3.28Å; L46-N50 WeakPolarHBondContact O-CB 3.46Å; L46-N50 PolarHBondContact O-N 3.48Å; L46-N50 VanDerWaalsContact O-N 3.09Å; L46-N50 PolarHBondContact O-ND2 2.88Å; L46-V59 HydrophobicContact CD2-CG2 3.67Å; L46-L61 HydrophobicContact CD1-CB 3.57Å; L46-L61 HydrophobicContact CD1-CD1 4.34Å; L46-L61 VanDerWaalsContact CD1-N 3.31Å; L46-F81 HydrophobicContact CD1-CE2 4.34Å; L46-F81 HydrophobicContact CD2-CE2 4.36Å; L46-F81 HydrophobicContact CG-CE2 4.03Å; L46-V83 HydrophobicContact CD1-CG1 4.03Å; L46-V83 HydrophobicContact CD2-CB 4.02Å; L46-V83 HydrophobicContact CD2-CG1 3.42Å; L46-V83 VanDerWaalsContact CD2-CG1 3.42Å; L46-V83 HydrophobicContact CG-CG1 4.1Å; L46-Y98 HydrophobicContact CB-CD2 3.78Å; L46-Y98 HydrophobicContact CB-CE2 3.62Å; L46-Y98 HydrophobicContact CB-CG 4.32Å; L46-Y98 HydrophobicContact CD1-CE1 4.33Å; L46-Y98 HydrophobicContact CD1-CE2 3.83Å; L46-Y98 WeakPolarHBondContact CD1-OH 3.21Å; L46-Y98 HydrophobicContact CG-CE2 4.27Å
47	T	85.6	Confident	83.5	Confident	40 Å²	40	57.6 Å²	57.6	25%	0.245	29%	0.286	C	S	.	.	H	α-helix	trans	-63.9	-54.1	170.8	-56	0	0	0	0	108.6	Y43 F44 A45 Y49 N50 E51 Y98	Y43-T47 PolarHBondContact O-N 3.42Å; Y43-T47 PolarHBondContact O-OG1 2.87Å; F44-T47 VanDerWaalsContact O-CB 3.31Å; F44-T47 WeakPolarHBondContact O-CB 3.22Å; F44-T47 PolarHBondContact O-N 3.36Å; A45-T47 VanDerWaalsContact C-N 3.33Å; T47-Y49 PolarHBondContact O-N 3.07Å; T47-N50 PolarHBondContact O-N 2.98Å; T47-E51 WeakPolarHBondContact O-CG 3.23Å; T47-E51 PolarHBondContact O-N 3.44Å; T47-E51 VanDerWaalsContact O-N 3.13Å; T47-Y98 WeakPolarHBondContact OG1-CB 3Å
48	L	81.6	Confident	84.5	Confident	60 Å²	60	55.3 Å²	55.3	31%	0.314	27%	0.274	S	S	.	.	H	α-helix	trans	-58.8	-47.3	176.8	-65	174.2	0	0	0	112.3	F44 A45 N50 E51 E52	F44-L48 HydrophobicContact CD1-CD1 4.14Å; F44-L48 HydrophobicContact CE1-CD1 3.6Å; F44-L48 HydrophobicContact CE1-CG 4.3Å; F44-L48 HydrophobicContact CZ-CD1 4.36Å; F44-L48 PolarHBondContact O-N 2.81Å; A45-L48 PolarHBondContact O-N 3.14Å; L48-N50 VanDerWaalsContact C-N 3.32Å; L48-N50 PolarHBondContact O-N 2.66Å; L48-E51 PolarHBondContact O-N 2.86Å; L48-E51 VanDerWaalsContact O-N 3.15Å; L48-E52 WeakPolarHBondContact O-CB 3.38Å; L48-E52 WeakPolarHBondContact O-CG 3.06Å; L48-E52 PolarHBondContact O-N 2.9Å
49	Y	85.9	Confident	85.1	Confident	31 Å²	31	55.2 Å²	55.2	12%	0.122	27%	0.274	C	S	.	.	H	α-helix	trans	-60.3	-39.8	179.4	-173.3	-93.7	0	0	0	113.4	A45 T47 E51 S53 V59 F138 C140	A45-Y49 WeakPolarHBondContact O-CB 3.46Å; A45-Y49 PolarHBondContact O-N 3.07Å; T47-Y49 PolarHBondContact O-N 3.07Å; Y49-E51 VanDerWaalsContact C-N 3.31Å; Y49-S53 WeakPolarHBondContact CE1-OG 3.38Å; Y49-S53 WeakPolarHBondContact O-CB 3.38Å; Y49-S53 PolarHBondContact O-N 2.71Å; Y49-S53 PolarHBondContact O-OG 2.83Å; Y49-V59 HydrophobicContact CD1-CG2 3.34Å; Y49-V59 HydrophobicContact CE1-CB 4.43Å; Y49-V59 HydrophobicContact CE1-CG1 4.02Å; Y49-V59 HydrophobicContact CE1-CG2 3.52Å; Y49-F138 AromaticContact CD2-CE1 3.74Å; Y49-F138 HydrophobicContact CD2-CE1 3.74Å; Y49-F138 AromaticContact CD2-CZ 3.74Å; Y49-F138 HydrophobicContact CD2-CZ 3.74Å; Y49-F138 HydrophobicContact CG-CE1 4.14Å; Y49-F138 HydrophobicContact CG-CZ 4.01Å; Y49-C140 HydrophobicContact CD2-CB 4.16Å; Y49-C140 HydrophobicContact CE2-CB 3.59Å
50	N	87.9	Confident	85.6	Confident	9 Å²	9	53.3 Å²	53.3	5%	0.048	26%	0.264	C	S	.	.	H	α-helix	trans	-72.5	-27.9	179.8	-82.8	-53.5	0	0	0	112.1	L46 T47 L48 Y58 V59 K90	L46-N50 VanDerWaalsContact O-CB 3.28Å; L46-N50 WeakPolarHBondContact O-CB 3.46Å; L46-N50 PolarHBondContact O-N 3.48Å; L46-N50 VanDerWaalsContact O-N 3.09Å; L46-N50 PolarHBondContact O-ND2 2.88Å; T47-N50 PolarHBondContact O-N 2.98Å; L48-N50 VanDerWaalsContact C-N 3.32Å; L48-N50 PolarHBondContact O-N 2.66Å; N50-Y58 HydrophobicContact CB-CD1 3.81Å; N50-Y58 HydrophobicContact CB-CE1 4.15Å; N50-Y58 VanDerWaalsContact OD1-CA 3.29Å; N50-Y58 WeakPolarHBondContact OD1-CA 3.37Å; N50-V59 PolarHBondContact ND2-O 3.25Å; N50-V59 WeakPolarHBondContact OD1-CG2 3.23Å; N50-V59 PolarHBondContact OD1-N 2.86Å; N50-K90 WeakPolarHBondContact O-CE 3.36Å; N50-K90 PolarHBondContact O-NZ 2.82Å
51	E	82	Confident	85.9	Confident	134 Å²	134	49.3 Å²	49.3	63%	0.626	25%	0.246	S	C	*	.	H	α-helix	trans	-78.7	-44.7	175.3	-71.1	175.3	-178.6	0	0	112	T47 L48 Y49	T47-E51 WeakPolarHBondContact O-CG 3.23Å; T47-E51 PolarHBondContact O-N 3.44Å; T47-E51 VanDerWaalsContact O-N 3.13Å; L48-E51 PolarHBondContact O-N 2.86Å; L48-E51 VanDerWaalsContact O-N 3.15Å; Y49-E51 VanDerWaalsContact C-N 3.31Å
52	E	81.6	Confident	85.8	Confident	146 Å²	146	50.4 Å²	50.4	68%	0.682	25%	0.25	S	C	*	.	H	α-helix	trans	-94.4	-21	-169	-63.3	179.7	-177.7	0	0	114.5	L48	L48-E52 WeakPolarHBondContact O-CB 3.38Å; L48-E52 WeakPolarHBondContact O-CG 3.06Å; L48-E52 PolarHBondContact O-N 2.9Å
53	S	81.5	Confident	85.4	Confident	26 Å²	26	51.7 Å²	51.7	18%	0.182	26%	0.264	C	S	.	.			trans	-81.1	145	-176.8	72.2	0	0	0	0	114	Y49 E55 K90	Y49-S53 WeakPolarHBondContact CE1-OG 3.38Å; Y49-S53 WeakPolarHBondContact O-CB 3.38Å; Y49-S53 PolarHBondContact O-N 2.71Å; Y49-S53 PolarHBondContact O-OG 2.83Å; S53-E55 PolarHBondContact O-N 2.89Å; S53-E55 VanDerWaalsContact O-N 3.09Å; S53-K90 PolarHBondContact O-NZ 2.94Å; S53-K90 PolarHBondContact OG-NZ 3.13Å
54	D	83.3	Confident	85	Confident	168 Å²	168	52.5 Å²	52.5	90%	0.898	27%	0.27	S	S	*	.			trans	-70.2	1	174.7	-64	-31.5	0	0	0	114.2	T56	D54-T56 PolarHBondContact O-N 3.46Å
55	E	82.8	Confident	84.5	Confident	39 Å²	39	50.1 Å²	50.1	18%	0.182	26%	0.26	C	S	.	.			trans	-63.1	127	176.3	-76.8	-71.7	165.5	0	0	110.8	S53 R57 Q85 K90 H114	S53-E55 PolarHBondContact O-N 2.89Å; S53-E55 VanDerWaalsContact O-N 3.09Å; E55-R57 PolarHBondContact O-N 3.26Å; E55-R57 VanDerWaalsContact O-N 3.12Å; E55-Q85 PolarHBondContact OE2-NE2 3.35Å; E55-K90 WeakPolarHBondContact O-CD 3.39Å; E55-K90 WeakPolarHBondContact O-CE 3.11Å; E55-K90 PolarHBondContact O-NZ 3.08Å; E55-H114 IonicContact OE1-CE1 3.52Å; E55-H114 PolarHBondContact OE1-CE1 3.45Å; E55-H114 IonicContact OE1-NE2 2.7Å
56	T	88.1	Confident	84.1	Confident	95 Å²	95	50.6 Å²	50.6	58%	0.583	26%	0.262	S	S	*	.	S	Bend	trans	-66.5	-14.3	-179	58.2	0	0	0	0	114.4	D54 K90	D54-T56 PolarHBondContact O-N 3.46Å; T56-K90 PolarHBondContact O-N 2.7Å
57	R	90.9	Very high	83.6	Confident	47 Å²	47	51.8 Å²	51.8	18%	0.177	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	147.7	-174.5	-71	174.3	171	-73.4	-6.1	109.8	E55 T86 E87 C88 L89 K90	E55-R57 PolarHBondContact O-N 3.26Å; E55-R57 VanDerWaalsContact O-N 3.12Å; R57-T86 WeakPolarHBondContact CD-O 3.31Å; R57-T86 PolarHBondContact NH1-O 2.85Å; R57-E87 VanDerWaalsContact NH1-CA 3.31Å; R57-E87 PolarHBondContact NH1-O 2.75Å; R57-C88 WeakPolarHBondContact CA-O 3.33Å; R57-L89 HydrophobicContact CG-CD2 3.67Å; R57-L89 HydrophobicContact CG-CG 4.49Å; R57-K90 WeakPolarHBondContact O-CE 3.25Å
58	Y	91.4	Very high	83.1	Confident	20 Å²	20	52.8 Å²	52.8	8%	0.078	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	144.6	168	-71.6	-85	0	0	0	109.7	N50 T86 C88 K90 K93 S94 F95 V101	N50-Y58 HydrophobicContact CB-CD1 3.81Å; N50-Y58 HydrophobicContact CB-CE1 4.15Å; N50-Y58 VanDerWaalsContact OD1-CA 3.29Å; N50-Y58 WeakPolarHBondContact OD1-CA 3.37Å; Y58-T86 WeakPolarHBondContact CB-OG1 3.27Å; Y58-T86 WeakPolarHBondContact O-CB 3.44Å; Y58-T86 WeakPolarHBondContact O-CG2 3.34Å; Y58-T86 PolarHBondContact O-N 3.22Å; Y58-T86 PolarHBondContact O-OG1 2.87Å; Y58-C88 HydrophobicContact CD2-CB 3.87Å; Y58-C88 PolarHBondContact N-O 3.47Å; Y58-C88 VanDerWaalsContact N-O 3.12Å; Y58-K90 HydrophobicContact CD1-CG 4.43Å; Y58-K90 HydrophobicContact CD2-CG 3.94Å; Y58-K90 HydrophobicContact CE1-CG 4.3Å; Y58-K90 HydrophobicContact CE2-CB 4.14Å; Y58-K90 HydrophobicContact CE2-CG 3.82Å; Y58-K90 HydrophobicContact CG-CG 4.24Å; Y58-K93 VanDerWaalsContact CE2-O 3.28Å; Y58-K93 WeakPolarHBondContact CE2-O 3.37Å; Y58-K93 PolarHBondContact OH-O 2.75Å; Y58-S94 WeakPolarHBondContact OH-CA 3.38Å; Y58-F95 HydrophobicContact CD1-CD2 4.42Å; Y58-F95 AromaticContact CD2-CD2 3.99Å; Y58-F95 HydrophobicContact CD2-CD2 3.99Å; Y58-F95 AromaticContact CD2-CE2 3.96Å; Y58-F95 HydrophobicContact CD2-CE2 3.96Å; Y58-F95 HydrophobicContact CE1-CD2 4.09Å; Y58-F95 AromaticContact CE2-CD2 3.57Å; Y58-F95 HydrophobicContact CE2-CD2 3.57Å; Y58-F95 AromaticContact CE2-CE2 3.81Å; Y58-F95 HydrophobicContact CE2-CE2 3.81Å; Y58-F95 HydrophobicContact CG-CD2 4.4Å; Y58-F95 AromaticContact CZ-CD2 3.65Å; Y58-V101 HydrophobicContact CD1-CG1 4.18Å; Y58-V101 HydrophobicContact CD1-CG2 3.72Å; Y58-V101 HydrophobicContact CE1-CG2 4.06Å; Y58-V101 HydrophobicContact CG-CG1 4.08Å; Y58-V101 HydrophobicContact CG-CG2 4.25Å
59	V	90	Very high	82.7	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	151.7	166.3	-61.5	0	0	0	0	110	L46 Y49 N50 V83 A84 Q85	L46-V59 HydrophobicContact CD2-CG2 3.67Å; Y49-V59 HydrophobicContact CD1-CG2 3.34Å; Y49-V59 HydrophobicContact CE1-CB 4.43Å; Y49-V59 HydrophobicContact CE1-CG1 4.02Å; Y49-V59 HydrophobicContact CE1-CG2 3.52Å; N50-V59 PolarHBondContact ND2-O 3.25Å; N50-V59 WeakPolarHBondContact OD1-CG2 3.23Å; N50-V59 PolarHBondContact OD1-N 2.86Å; V59-V83 HydrophobicContact CB-CB 4.24Å; V59-V83 HydrophobicContact CB-CG2 4.22Å; V59-V83 HydrophobicContact CG2-CB 4.31Å; V59-V83 HydrophobicContact CG2-CG2 4.2Å; V59-A84 CarbonylContact C-O 3.44Å; V59-A84 VanDerWaalsContact CA-O 3.27Å; V59-A84 WeakPolarHBondContact CA-O 3.2Å; V59-Q85 HydrophobicContact CG1-CG 4.29Å
60	K	90.2	Very high	81.7	Confident	25 Å²	25	55 Å²	55	11%	0.109	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	147.4	173.2	-81.7	173.1	57.5	170.4	0	110.6	L62 V83 A84 T86 Y98 V101 Q102 C105 F107	K60-L62 PolarHBondContact O-N 3.48Å; K60-L62 VanDerWaalsContact O-N 3.17Å; K60-V83 CarbonylContact O-C 3.53Å; K60-V83 VanDerWaalsContact O-CA 3.28Å; K60-V83 WeakPolarHBondContact O-CA 3.38Å; K60-A84 PolarHBondContact N-O 3.3Å; K60-A84 PolarHBondContact O-N 2.9Å; K60-T86 HydrophobicContact CB-CG2 3.93Å; K60-T86 HydrophobicContact CD-CG2 3.54Å; K60-T86 HydrophobicContact CG-CG2 3.56Å; K60-Y98 WeakPolarHBondContact CA-OH 3.44Å; K60-Y98 HydrophobicContact CG-CE2 4.44Å; K60-V101 HydrophobicContact CD-CG1 4.26Å; K60-V101 WeakPolarHBondContact CD-O 3.35Å; K60-V101 HydrophobicContact CG-CG1 3.79Å; K60-Q102 WeakPolarHBondContact CE-O 3.25Å; K60-Q102 PolarHBondContact NZ-O 2.85Å; K60-C105 HydrophobicContact CD-CB 4.13Å; K60-C105 WeakPolarHBondContact CD-O 3.35Å; K60-C105 WeakPolarHBondContact CE-O 3.28Å; K60-C105 PolarHBondContact NZ-O 3.43Å; K60-F107 HydrophobicContact CB-CD1 4.45Å; K60-F107 HydrophobicContact CB-CE1 3.61Å; K60-F107 HydrophobicContact CB-CZ 4.01Å
61	L	87.9	Confident	80.5	Confident	23 Å²	23	57.4 Å²	57.4	12%	0.12	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.7	119.1	166.8	-171.8	62.9	0	0	0	108.2	E39 A42 Y43 L46 F81 Y98	E39-L61 HydrophobicContact CG-CD2 4.14Å; A42-L61 HydrophobicContact CB-CD1 3.92Å; A42-L61 HydrophobicContact CB-CD2 4.07Å; Y43-L61 HydrophobicContact CD1-CB 4.31Å; Y43-L61 HydrophobicContact CD1-CD2 3.97Å; Y43-L61 HydrophobicContact CE1-CB 3.83Å; Y43-L61 HydrophobicContact CE1-CD2 3.42Å; Y43-L61 VanDerWaalsContact CE1-CD2 3.42Å; Y43-L61 HydrophobicContact CE1-CG 4.26Å; L46-L61 HydrophobicContact CD1-CB 3.57Å; L46-L61 HydrophobicContact CD1-CD1 4.34Å; L46-L61 VanDerWaalsContact CD1-N 3.31Å; L61-F81 HydrophobicContact CD1-CB 3.81Å; L61-F81 HydrophobicContact CD1-CD2 3.47Å; L61-F81 VanDerWaalsContact CD1-CD2 3.47Å; L61-F81 HydrophobicContact CD1-CE2 4.38Å; L61-F81 HydrophobicContact CD1-CG 3.98Å; L61-Y98 PolarHBondContact N-OH 2.63Å
62	L	80.9	Confident	79.4	Confident	35 Å²	35	54.3 Å²	54.3	18%	0.183	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	-38.5	173.8	-173.7	69.7	0	0	0	110.2	K60 Y82 A84 F107 I169 L172	K60-L62 PolarHBondContact O-N 3.48Å; K60-L62 VanDerWaalsContact O-N 3.17Å; L62-Y82 WeakPolarHBondContact CB-O 3.4Å; L62-Y82 PolarHBondContact N-O 3.44Å; L62-A84 HydrophobicContact CB-CB 4.35Å; L62-A84 HydrophobicContact CD1-CB 4.45Å; L62-A84 HydrophobicContact CD2-CB 4.36Å; L62-F107 HydrophobicContact CD1-CE1 4.06Å; L62-F107 HydrophobicContact CD1-CE2 4.06Å; L62-F107 HydrophobicContact CD1-CZ 3.79Å; L62-I169 HydrophobicContact CD1-CG2 3.93Å; L62-L172 HydrophobicContact CD2-CB 3.7Å; L62-L172 HydrophobicContact CD2-CD1 3.34Å; L62-L172 HydrophobicContact CD2-CG 4.06Å
63	G	76.2	Confident	78.3	Confident	28 Å²	28	52.3 Å²	52.3	29%	0.289	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	174.7	160.9	175.4	0	0	0	0	0	111.8	F81 Y82	G63-F81 CarbonylContact O-C 3.56Å; G63-F81 WeakPolarHBondContact O-CA 3.46Å; G63-F81 WeakPolarHBondContact O-CB 3.32Å; G63-Y82 PolarHBondContact N-O 2.6Å; G63-Y82 PolarHBondContact O-N 2.86Å
64	I	78.7	Confident	77.3	Confident	59 Å²	59	51.7 Å²	51.7	30%	0.303	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	134	174.4	-65.5	163.5	0	0	0	108.4	A38 E39 L79 F81	A38-I64 HydrophobicContact CB-CD1 3.7Å; E39-I64 HydrophobicContact CB-CD1 4.32Å; I64-L79 HydrophobicContact CG1-CD1 4.4Å; I64-L79 HydrophobicContact CG2-CD1 3.59Å; I64-F81 HydrophobicContact CG1-CB 4.36Å
65	K	74.8	Confident	76.4	Confident	64 Å²	64	47 Å²	47	28%	0.278	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	-57.1	178.5	-174.7	-166.7	167.9	-159.7	0	110.5	Q80 Y82 L115	K65-Q80 WeakPolarHBondContact CA-O 3.2Å; K65-Q80 HydrophobicContact CB-CB 4.05Å; K65-Q80 WeakPolarHBondContact CB-O 2.87Å; K65-Q80 HydrophobicContact CD-CB 4.16Å; K65-Q80 PolarHBondContact N-O 3.22Å; K65-Y82 HydrophobicContact CB-CD2 4.22Å; K65-Y82 HydrophobicContact CB-CE2 3.75Å; K65-Y82 HydrophobicContact CD-CE2 4.2Å; K65-Y82 HydrophobicContact CG-CE2 3.84Å; K65-L115 HydrophobicContact CD-CD1 3.87Å
66	T	77.6	Confident	75.9	Confident	13 Å²	13	46 Å²	46	8%	0.08	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	152.6	179.7	54.9	0	0	0	0	110.9	L79 Q80	T66-L79 WeakPolarHBondContact O-CD1 3.48Å; T66-Q80 PolarHBondContact N-O 3.1Å; T66-Q80 PolarHBondContact O-N 3.37Å
67	L	76.8	Confident	75.5	Confident	25 Å²	25	43.8 Å²	43.8	13%	0.131	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	113.7	165.7	-179.7	73.7	0	0	0	107	V30 A38 Y77 T78 L79 I120	V30-L67 HydrophobicContact CG2-CB 4.12Å; A38-L67 HydrophobicContact CB-CD2 4.31Å; L67-Y77 HydrophobicContact CD1-CG 4.49Å; L67-T78 CarbonylContact C-O 3.49Å; L67-T78 WeakPolarHBondContact CA-O 3.33Å; L67-L79 HydrophobicContact CB-CD1 4.4Å; L67-L79 HydrophobicContact CD1-CB 3.89Å; L67-L79 HydrophobicContact CD1-CD1 4.1Å; L67-I120 HydrophobicContact CD1-CD1 4.42Å
68	E	75.6	Confident	75.1	Confident	61 Å²	61	42.3 Å²	42.3	29%	0.285	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	127.6	-172.3	-66	177.5	-173.5	0	0	110.2	E70 Y77 T78	E68-E70 PolarHBondContact O-N 3.08Å; E68-Y77 CarbonylContact O-C 3.33Å; E68-Y77 WeakPolarHBondContact O-CA 3.5Å; E68-T78 PolarHBondContact N-O 3.49Å; E68-T78 PolarHBondContact O-N 2.97Å
69	D	72	Confident	74.8	Confident	39 Å²	39	41.4 Å²	41.4	21%	0.209	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	118.5	172.8	-178.9	-8.3	0	0	0	109.5	T71 G72 G74 Y77	D69-T71 PolarHBondContact OD1-N 3.32Å; D69-T71 PolarHBondContact OD1-OG1 3.12Å; D69-T71 VanDerWaalsContact OD1-OG1 3.05Å; D69-G72 PolarHBondContact OD1-N 2.78Å; D69-G74 PolarHBondContact OD1-N 3.35Å; D69-G74 WeakPolarHBondContact OD2-CA 3.44Å; D69-G74 PolarHBondContact OD2-N 3.23Å; D69-Y77 HydrophobicContact CB-CD1 3.96Å; D69-Y77 HydrophobicContact CB-CE1 3.93Å
70	E	65.4	Low	74.6	Confident	98 Å²	98	43.3 Å²	43.3	46%	0.458	26%	0.255	S	S	.	.	S	Bend	trans	-79.8	-28.3	-178.5	-64.8	-162.2	147.7	0	0	113	E68 A76 T78	E68-E70 PolarHBondContact O-N 3.08Å; E70-A76 HydrophobicContact CB-CB 4.34Å; E70-A76 PolarHBondContact N-O 2.85Å; E70-T78 PolarHBondContact OE1-OG1 2.87Å
71	T	62.5	Low	74.3	Confident	60 Å²	60	42.1 Å²	42.1	37%	0.368	25%	0.25	S	C	.	.	S	Bend	trans	-100.5	-12.3	-168.4	59.9	0	0	0	0	112.8	D69 T73 G74 T75 A76	D69-T71 PolarHBondContact OD1-N 3.32Å; D69-T71 PolarHBondContact OD1-OG1 3.12Å; D69-T71 VanDerWaalsContact OD1-OG1 3.05Å; T71-T73 VanDerWaalsContact CB-OG1 3.27Å; T71-T73 WeakPolarHBondContact CB-OG1 3.36Å; T71-T73 PolarHBondContact O-N 3.23Å; T71-T73 PolarHBondContact OG1-N 2.9Å; T71-T73 PolarHBondContact OG1-OG1 3.36Å; T71-G74 PolarHBondContact OG1-N 2.97Å; T71-T75 PolarHBondContact OG1-N 3.48Å; T71-T75 VanDerWaalsContact OG1-N 3.14Å; T71-T75 PolarHBondContact OG1-OG1 3.24Å; T71-T75 VanDerWaalsContact OG1-OG1 3.12Å; T71-A76 HydrophobicContact CG2-CB 3.86Å
72	G	59.3	Low	74.1	Confident	69 Å²	69	41.8 Å²	41.8	71%	0.711	25%	0.247	S	C	*	.	S	Bend	trans	61.1	-0.9	-166.2	0	0	0	0	0	113.6	D69	D69-G72 PolarHBondContact OD1-N 2.78Å
73	T	59.1	Low	74.4	Confident	104 Å²	104	40.1 Å²	40.1	64%	0.638	24%	0.238	S	C	*	.	S	Bend	trans	-108.2	-3.1	-179.2	65.6	0	0	0	0	111.7	T71 T75	T71-T73 VanDerWaalsContact CB-OG1 3.27Å; T71-T73 WeakPolarHBondContact CB-OG1 3.36Å; T71-T73 PolarHBondContact O-N 3.23Å; T71-T73 PolarHBondContact OG1-N 2.9Å; T71-T73 PolarHBondContact OG1-OG1 3.36Å; T73-T75 VanDerWaalsContact C-N 3.31Å; T73-T75 PolarHBondContact OG1-OG1 3.17Å
74	G	59.8	Low	74.9	Confident	14 Å²	14	38.8 Å²	38.8	14%	0.144	23%	0.225	C	C	.	.	S	Bend	trans	71.5	18.5	-175.3	0	0	0	0	0	114.9	D69 T71 Y77	D69-G74 PolarHBondContact OD1-N 3.35Å; D69-G74 WeakPolarHBondContact OD2-CA 3.44Å; D69-G74 PolarHBondContact OD2-N 3.23Å; T71-G74 PolarHBondContact OG1-N 2.97Å; G74-Y77 VanDerWaalsContact CA-OH 3.28Å; G74-Y77 WeakPolarHBondContact CA-OH 3.32Å; G74-Y77 WeakPolarHBondContact O-CE2 3.28Å; G74-Y77 PolarHBondContact O-OH 3.14Å
75	T	65.3	Low	75.4	Confident	68 Å²	68	36.2 Å²	36.2	42%	0.417	21%	0.211	S	C	.	.	S	Bend	trans	-93.1	-22.1	179.6	42.6	0	0	0	0	114	T71 T73 G121 R122	T71-T75 PolarHBondContact OG1-N 3.48Å; T71-T75 VanDerWaalsContact OG1-N 3.14Å; T71-T75 PolarHBondContact OG1-OG1 3.24Å; T71-T75 VanDerWaalsContact OG1-OG1 3.12Å; T73-T75 VanDerWaalsContact C-N 3.31Å; T73-T75 PolarHBondContact OG1-OG1 3.17Å; T75-G121 WeakPolarHBondContact O-CA 3.35Å; T75-R122 PolarHBondContact O-N 2.88Å
76	A	72.4	Confident	76.2	Confident	18 Å²	18	33.1 Å²	33.1	15%	0.149	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	139.2	171.4	0	0	0	0	0	111.5	E70 T71 I120	E70-A76 HydrophobicContact CB-CB 4.34Å; E70-A76 PolarHBondContact N-O 2.85Å; T71-A76 HydrophobicContact CG2-CB 3.86Å; A76-I120 CarbonylContact C-O 3.46Å; A76-I120 VanDerWaalsContact CA-O 3.26Å; A76-I120 WeakPolarHBondContact CA-O 3.47Å
77	Y	79.1	Confident	76.9	Confident	50 Å²	50	38 Å²	38	20%	0.196	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	136.1	178.7	-56.1	-89.8	0	0	0	111	L67 E68 D69 G74 E119 I120	L67-Y77 HydrophobicContact CD1-CG 4.49Å; E68-Y77 CarbonylContact O-C 3.33Å; E68-Y77 WeakPolarHBondContact O-CA 3.5Å; D69-Y77 HydrophobicContact CB-CD1 3.96Å; D69-Y77 HydrophobicContact CB-CE1 3.93Å; G74-Y77 VanDerWaalsContact CA-OH 3.28Å; G74-Y77 WeakPolarHBondContact CA-OH 3.32Å; G74-Y77 WeakPolarHBondContact O-CE2 3.28Å; G74-Y77 PolarHBondContact O-OH 3.14Å; Y77-E119 CarbonylContact O-C 3.53Å; Y77-E119 VanDerWaalsContact O-CA 3.3Å; Y77-E119 WeakPolarHBondContact O-CA 3.09Å; Y77-I120 PolarHBondContact N-O 3.39Å; Y77-I120 PolarHBondContact O-N 3.37Å
78	T	82.4	Confident	77.6	Confident	16 Å²	16	38 Å²	38	10%	0.098	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	120.4	167.1	-90.2	0	0	0	0	109.7	L67 E68 E70 Q80 T117 L118 E119	L67-T78 CarbonylContact C-O 3.49Å; L67-T78 WeakPolarHBondContact CA-O 3.33Å; E68-T78 PolarHBondContact N-O 3.49Å; E68-T78 PolarHBondContact O-N 2.97Å; E70-T78 PolarHBondContact OE1-OG1 2.87Å; T78-Q80 HydrophobicContact CG2-CG 4.37Å; T78-T117 HydrophobicContact CG2-CG2 3.89Å; T78-L118 WeakPolarHBondContact CA-O 3.32Å; T78-E119 WeakPolarHBondContact OG1-CG 3.47Å
79	L	85.5	Confident	78.3	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	119.4	176.9	174.4	62	0	0	0	109.4	A38 A41 A42 I64 T66 L67 F81 T117 L118 I120	A38-L79 HydrophobicContact CB-CD1 3.99Å; A38-L79 HydrophobicContact CB-CD2 4.44Å; A38-L79 VanDerWaalsContact O-CD2 3.31Å; A38-L79 WeakPolarHBondContact O-CD2 3.48Å; A41-L79 HydrophobicContact CB-CD2 3.96Å; A42-L79 HydrophobicContact CB-CD2 4.2Å; I64-L79 HydrophobicContact CG1-CD1 4.4Å; I64-L79 HydrophobicContact CG2-CD1 3.59Å; T66-L79 WeakPolarHBondContact O-CD1 3.48Å; L67-L79 HydrophobicContact CB-CD1 4.4Å; L67-L79 HydrophobicContact CD1-CB 3.89Å; L67-L79 HydrophobicContact CD1-CD1 4.1Å; L79-F81 HydrophobicContact CD2-CD1 4.21Å; L79-F81 HydrophobicContact CD2-CE1 4.45Å; L79-F81 HydrophobicContact CG-CD1 3.9Å; L79-F81 HydrophobicContact CG-CE1 4.44Å; L79-T117 CarbonylContact O-C 3.5Å; L79-T117 WeakPolarHBondContact O-CA 3.25Å; L79-L118 HydrophobicContact CB-CD1 3.82Å; L79-L118 HydrophobicContact CB-CG 4.03Å; L79-L118 HydrophobicContact CD2-CD1 4.15Å; L79-L118 HydrophobicContact CD2-CD2 4.22Å; L79-L118 HydrophobicContact CD2-CG 4.25Å; L79-L118 HydrophobicContact CG-CG 4.45Å; L79-L118 PolarHBondContact N-O 3.48Å; L79-L118 PolarHBondContact O-N 2.59Å; L79-I120 HydrophobicContact CB-CD1 4.43Å; L79-I120 HydrophobicContact CD2-CD1 4.41Å
80	Q	84.5	Confident	79.1	Confident	41 Å²	41	37 Å²	37	19%	0.192	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	134.2	169.6	-65.8	-171	-3.9	0	0	110.2	K65 T66 T78 L115 C116 T117	K65-Q80 WeakPolarHBondContact CA-O 3.2Å; K65-Q80 HydrophobicContact CB-CB 4.05Å; K65-Q80 WeakPolarHBondContact CB-O 2.87Å; K65-Q80 HydrophobicContact CD-CB 4.16Å; K65-Q80 PolarHBondContact N-O 3.22Å; T66-Q80 PolarHBondContact N-O 3.1Å; T66-Q80 PolarHBondContact O-N 3.37Å; T78-Q80 HydrophobicContact CG2-CG 4.37Å; Q80-L115 HydrophobicContact CB-CD1 4.26Å; Q80-C116 CarbonylContact C-O 3.44Å; Q80-C116 VanDerWaalsContact CA-O 3.3Å; Q80-C116 WeakPolarHBondContact CA-O 3.32Å; Q80-T117 HydrophobicContact CG-CG2 4.1Å
81	F	83.8	Confident	80.1	Confident	0 Å²	0	39 Å²	39	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	150	-178.9	59.1	-79.4	0	0	0	111.9	A42 A45 L46 L61 G63 I64 L79 V83 C116 L118 F138	A42-F81 HydrophobicContact CB-CD1 4.33Å; A42-F81 HydrophobicContact CB-CD2 4.08Å; A42-F81 HydrophobicContact CB-CE1 4.42Å; A42-F81 HydrophobicContact CB-CE2 4.16Å; A42-F81 HydrophobicContact CB-CG 4.14Å; A42-F81 HydrophobicContact CB-CZ 4.31Å; A45-F81 HydrophobicContact CB-CZ 4.1Å; L46-F81 HydrophobicContact CD1-CE2 4.34Å; L46-F81 HydrophobicContact CD2-CE2 4.36Å; L46-F81 HydrophobicContact CG-CE2 4.03Å; L61-F81 HydrophobicContact CD1-CB 3.81Å; L61-F81 HydrophobicContact CD1-CD2 3.47Å; L61-F81 VanDerWaalsContact CD1-CD2 3.47Å; L61-F81 HydrophobicContact CD1-CE2 4.38Å; L61-F81 HydrophobicContact CD1-CG 3.98Å; G63-F81 CarbonylContact O-C 3.56Å; G63-F81 WeakPolarHBondContact O-CA 3.46Å; G63-F81 WeakPolarHBondContact O-CB 3.32Å; I64-F81 HydrophobicContact CG1-CB 4.36Å; L79-F81 HydrophobicContact CD2-CD1 4.21Å; L79-F81 HydrophobicContact CD2-CE1 4.45Å; L79-F81 HydrophobicContact CG-CD1 3.9Å; L79-F81 HydrophobicContact CG-CE1 4.44Å; F81-V83 HydrophobicContact CD2-CG1 3.51Å; F81-V83 HydrophobicContact CE2-CG1 3.5Å; F81-C116 HydrophobicContact CD1-CB 4.15Å; F81-C116 HydrophobicContact CD2-CB 3.95Å; F81-C116 HydrophobicContact CE1-CB 3.78Å; F81-C116 HydrophobicContact CE2-CB 3.57Å; F81-C116 HydrophobicContact CG-CB 4.26Å; F81-C116 HydrophobicContact CZ-CB 3.5Å; F81-C116 VanDerWaalsContact CZ-CB 3.5Å; F81-C116 PolarHBondContact N-O 3.33Å; F81-C116 PolarHBondContact O-N 3.17Å; F81-L118 HydrophobicContact CE1-CD2 3.55Å; F81-L118 HydrophobicContact CE1-CG 3.98Å; F81-L118 HydrophobicContact CZ-CD2 4Å; F81-F138 HydrophobicContact CE1-CE2 4.49Å; F81-F138 AromaticContact CZ-CE2 3.81Å; F81-F138 HydrophobicContact CZ-CE2 3.81Å
82	Y	83.8	Confident	81.2	Confident	16 Å²	16	44.3 Å²	44.3	6%	0.063	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	137.1	177	-62.6	-73.1	0	0	0	110.4	L62 G63 K65 V113 H114 L115 M143 L172 Y176	L62-Y82 WeakPolarHBondContact CB-O 3.4Å; L62-Y82 PolarHBondContact N-O 3.44Å; G63-Y82 PolarHBondContact N-O 2.6Å; G63-Y82 PolarHBondContact O-N 2.86Å; K65-Y82 HydrophobicContact CB-CD2 4.22Å; K65-Y82 HydrophobicContact CB-CE2 3.75Å; K65-Y82 HydrophobicContact CD-CE2 4.2Å; K65-Y82 HydrophobicContact CG-CE2 3.84Å; Y82-V113 HydrophobicContact CD1-CG1 4.06Å; Y82-H114 WeakPolarHBondContact CA-O 3.24Å; Y82-L115 HydrophobicContact CD1-CB 4.36Å; Y82-L115 HydrophobicContact CD1-CD1 4.01Å; Y82-L115 HydrophobicContact CE1-CB 4.29Å; Y82-L115 HydrophobicContact CE1-CD1 3.79Å; Y82-M143 HydrophobicContact CD1-SD 4.24Å; Y82-M143 HydrophobicContact CE1-SD 3.97Å; Y82-L172 HydrophobicContact CD1-CD2 4.35Å; Y82-L172 HydrophobicContact CE1-CD2 4.38Å; Y82-L172 HydrophobicContact CG-CD2 4.42Å; Y82-Y176 HydrophobicContact CD2-CE2 4.22Å; Y82-Y176 HydrophobicContact CE2-CD2 4.31Å; Y82-Y176 AromaticContact CE2-CE2 3.47Å; Y82-Y176 HydrophobicContact CE2-CE2 3.47Å; Y82-Y176 VanDerWaalsContact CE2-CE2 3.47Å; Y82-Y176 AromaticContact CE2-CZ 3.75Å; Y82-Y176 AromaticContact CZ-CE2 3.95Å; Y82-Y176 PolarHBondContact OH-OH 2.77Å
83	V	88.2	Confident	82.4	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	144.3	172.7	-51.5	0	0	0	0	109	L46 V59 K60 F81 V113 H114 C116	L46-V83 HydrophobicContact CD1-CG1 4.03Å; L46-V83 HydrophobicContact CD2-CB 4.02Å; L46-V83 HydrophobicContact CD2-CG1 3.42Å; L46-V83 VanDerWaalsContact CD2-CG1 3.42Å; L46-V83 HydrophobicContact CG-CG1 4.1Å; V59-V83 HydrophobicContact CB-CB 4.24Å; V59-V83 HydrophobicContact CB-CG2 4.22Å; V59-V83 HydrophobicContact CG2-CB 4.31Å; V59-V83 HydrophobicContact CG2-CG2 4.2Å; K60-V83 CarbonylContact O-C 3.53Å; K60-V83 VanDerWaalsContact O-CA 3.28Å; K60-V83 WeakPolarHBondContact O-CA 3.38Å; F81-V83 HydrophobicContact CD2-CG1 3.51Å; F81-V83 HydrophobicContact CE2-CG1 3.5Å; V83-V113 WeakPolarHBondContact O-CA 3.32Å; V83-V113 WeakPolarHBondContact O-CG1 3.4Å; V83-H114 HydrophobicContact CG2-CB 3.71Å; V83-H114 PolarHBondContact N-O 2.85Å; V83-H114 PolarHBondContact O-N 3.49Å; V83-C116 WeakPolarHBondContact CG2-SG 3.43Å
84	A	86.3	Confident	83.6	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	144.6	-177	0	0	0	0	0	112.2	V59 K60 L62 F107 R112 V113 I169	V59-A84 CarbonylContact C-O 3.44Å; V59-A84 VanDerWaalsContact CA-O 3.27Å; V59-A84 WeakPolarHBondContact CA-O 3.2Å; K60-A84 PolarHBondContact N-O 3.3Å; K60-A84 PolarHBondContact O-N 2.9Å; L62-A84 HydrophobicContact CB-CB 4.35Å; L62-A84 HydrophobicContact CD1-CB 4.45Å; L62-A84 HydrophobicContact CD2-CB 4.36Å; A84-F107 HydrophobicContact CB-CD1 3.87Å; A84-F107 HydrophobicContact CB-CE1 3.91Å; A84-R112 WeakPolarHBondContact CA-O 3.32Å; A84-V113 HydrophobicContact CB-CG2 4.13Å; A84-I169 HydrophobicContact CB-CD1 3.53Å; A84-I169 HydrophobicContact CB-CG1 3.7Å
85	Q	89.1	Confident	84.8	Confident	4 Å²	4	45.7 Å²	45.7	2%	0.019	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	138.9	177.8	-70.9	-176.6	-29.6	0	0	112	E55 V59 R108 R112	E55-Q85 PolarHBondContact OE2-NE2 3.35Å; V59-Q85 HydrophobicContact CG1-CG 4.29Å; Q85-R108 PolarHBondContact O-N 3.07Å; Q85-R112 HydrophobicContact CG-CB 4.23Å; Q85-R112 PolarHBondContact N-O 2.82Å
86	T	90.8	Very high	85.2	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	168.5	177.3	71.4	0	0	0	0	112.4	R57 Y58 K60 C88 C105 A106	R57-T86 WeakPolarHBondContact CD-O 3.31Å; R57-T86 PolarHBondContact NH1-O 2.85Å; Y58-T86 WeakPolarHBondContact CB-OG1 3.27Å; Y58-T86 WeakPolarHBondContact O-CB 3.44Å; Y58-T86 WeakPolarHBondContact O-CG2 3.34Å; Y58-T86 PolarHBondContact O-N 3.22Å; Y58-T86 PolarHBondContact O-OG1 2.87Å; K60-T86 HydrophobicContact CB-CG2 3.93Å; K60-T86 HydrophobicContact CD-CG2 3.54Å; K60-T86 HydrophobicContact CG-CG2 3.56Å; T86-C88 PolarHBondContact O-N 2.83Å; T86-C88 PolarHBondContact OG1-N 3.39Å; T86-C105 HydrophobicContact CG2-CB 3.93Å; T86-A106 CarbonylContact C-O 3.59Å; T86-A106 VanDerWaalsContact CA-O 3.24Å; T86-A106 WeakPolarHBondContact CA-O 3.38Å; T86-A106 VanDerWaalsContact CB-O 3.23Å; T86-A106 WeakPolarHBondContact CB-O 3.46Å
87	E	92.3	Very high	85.6	Confident	115 Å²	115	49 Å²	49	54%	0.537	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	-18.6	172.6	-62.1	-168.1	158.6	0	0	112.8	R57 A106 R108	R57-E87 VanDerWaalsContact NH1-CA 3.31Å; R57-E87 PolarHBondContact NH1-O 2.75Å; E87-A106 PolarHBondContact N-O 3.28Å; E87-R108 HydrophobicContact CG-CB 3.92Å; E87-R108 HydrophobicContact CG-CG 4.41Å
88	C	91.6	Very high	85.8	Confident	24 Å²	24	47 Å²	47	16%	0.162	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	127.4	176.8	-69.2	0	0	0	0	111.8	R57 Y58 T86 F95 C105	R57-C88 WeakPolarHBondContact CA-O 3.33Å; Y58-C88 HydrophobicContact CD2-CB 3.87Å; Y58-C88 PolarHBondContact N-O 3.47Å; Y58-C88 VanDerWaalsContact N-O 3.12Å; T86-C88 PolarHBondContact O-N 2.83Å; T86-C88 PolarHBondContact OG1-N 3.39Å; C88-F95 HydrophobicContact CB-CE2 4.17Å; C88-C105 HydrophobicContact CB-CB 3.78Å; C88-C105 WeakPolarHBondContact CB-SG 3.49Å; C88-C105 WeakPolarHBondContact SG-CA 3.41Å; C88-C105 WeakPolarHBondContact SG-CB 3.43Å; C88-C105 CovalentContact SG-SG 2.03Å; C88-C105 PolarHBondContact SG-SG 3.35Å
89	L	91.4	Very high	85.9	Confident	37 Å²	37	49 Å²	49	19%	0.194	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	132.8	173.7	-69.9	161.8	0	0	0	109.6	R57 N91 K92 K93	R57-L89 HydrophobicContact CG-CD2 3.67Å; R57-L89 HydrophobicContact CG-CG 4.49Å; L89-N91 WeakPolarHBondContact CB-OD1 3.5Å; L89-N91 PolarHBondContact O-N 2.95Å; L89-K92 HydrophobicContact CB-CB 4.23Å; L89-K92 HydrophobicContact CB-CD 4.46Å; L89-K92 HydrophobicContact CB-CG 4.06Å; L89-K92 HydrophobicContact CD1-CD 3.85Å; L89-K92 HydrophobicContact CD1-CG 4.15Å; L89-K92 PolarHBondContact O-N 2.9Å; L89-K92 VanDerWaalsContact O-N 3.08Å; L89-K93 PolarHBondContact O-N 3.28Å
90	K	88.4	Confident	85.9	Confident	44 Å²	44	51.2 Å²	51.2	19%	0.191	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-30.5	179.5	-61.4	-170.2	-171.1	177.2	0	112.4	N50 S53 E55 T56 R57 Y58	N50-K90 WeakPolarHBondContact O-CE 3.36Å; N50-K90 PolarHBondContact O-NZ 2.82Å; S53-K90 PolarHBondContact O-NZ 2.94Å; S53-K90 PolarHBondContact OG-NZ 3.13Å; E55-K90 WeakPolarHBondContact O-CD 3.39Å; E55-K90 WeakPolarHBondContact O-CE 3.11Å; E55-K90 PolarHBondContact O-NZ 3.08Å; T56-K90 PolarHBondContact O-N 2.7Å; R57-K90 WeakPolarHBondContact O-CE 3.25Å; Y58-K90 HydrophobicContact CD1-CG 4.43Å; Y58-K90 HydrophobicContact CD2-CG 3.94Å; Y58-K90 HydrophobicContact CE1-CG 4.3Å; Y58-K90 HydrophobicContact CE2-CB 4.14Å; Y58-K90 HydrophobicContact CE2-CG 3.82Å; Y58-K90 HydrophobicContact CG-CG 4.24Å
91	N	86.9	Confident	86	Confident	140 Å²	140	49.4 Å²	49.4	75%	0.749	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-11.8	178.5	72.3	-9.1	0	0	0	115.1	L89	L89-N91 WeakPolarHBondContact CB-OD1 3.5Å; L89-N91 PolarHBondContact O-N 2.95Å
92	K	86.1	Confident	86.1	Confident	171 Å²	171	52.7 Å²	52.7	74%	0.743	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	-30.8	-179.5	-72.3	-163.2	179.1	-175.1	0	112.9	L89	L89-K92 HydrophobicContact CB-CB 4.23Å; L89-K92 HydrophobicContact CB-CD 4.46Å; L89-K92 HydrophobicContact CB-CG 4.06Å; L89-K92 HydrophobicContact CD1-CD 3.85Å; L89-K92 HydrophobicContact CD1-CG 4.15Å; L89-K92 PolarHBondContact O-N 2.9Å; L89-K92 VanDerWaalsContact O-N 3.08Å
93	K	84.5	Confident	86.2	Confident	100 Å²	100	60.7 Å²	60.7	44%	0.435	31%	0.308	S	S	.	.			trans	-153.9	126	-175.7	-175	167.7	-179.8	175.7	0	108.9	Y58 L89 F95	Y58-K93 VanDerWaalsContact CE2-O 3.28Å; Y58-K93 WeakPolarHBondContact CE2-O 3.37Å; Y58-K93 PolarHBondContact OH-O 2.75Å; L89-K93 PolarHBondContact O-N 3.28Å; K93-F95 HydrophobicContact CD-CE1 3.9Å; K93-F95 HydrophobicContact CD-CE2 4.38Å; K93-F95 HydrophobicContact CD-CZ 3.7Å; K93-F95 VanDerWaalsContact CE-CE1 3.48Å; K93-F95 HydrophobicContact CG-CE1 4.27Å; K93-F95 HydrophobicContact CG-CE2 4.25Å; K93-F95 HydrophobicContact CG-CZ 4.03Å
94	S	84	Confident	86.3	Confident	100 Å²	100	65.2 Å²	65.2	70%	0.699	33%	0.329	S	S	*	.			trans	-90.2	146	167.3	-170	0	0	0	0	109.6	Y58	Y58-S94 WeakPolarHBondContact OH-CA 3.38Å
95	F	84.3	Confident	86.5	Confident	15 Å²	15	65.3 Å²	65.3	7%	0.066	33%	0.33	C	S	.	.			trans	-115.5	138.3	175.7	-68.4	-75.5	0	0	0	108.8	Y58 C88 K93 N97 E100 V101 Q104 C105	Y58-F95 HydrophobicContact CD1-CD2 4.42Å; Y58-F95 AromaticContact CD2-CD2 3.99Å; Y58-F95 HydrophobicContact CD2-CD2 3.99Å; Y58-F95 AromaticContact CD2-CE2 3.96Å; Y58-F95 HydrophobicContact CD2-CE2 3.96Å; Y58-F95 HydrophobicContact CE1-CD2 4.09Å; Y58-F95 AromaticContact CE2-CD2 3.57Å; Y58-F95 HydrophobicContact CE2-CD2 3.57Å; Y58-F95 AromaticContact CE2-CE2 3.81Å; Y58-F95 HydrophobicContact CE2-CE2 3.81Å; Y58-F95 HydrophobicContact CG-CD2 4.4Å; Y58-F95 AromaticContact CZ-CD2 3.65Å; C88-F95 HydrophobicContact CB-CE2 4.17Å; K93-F95 HydrophobicContact CD-CE1 3.9Å; K93-F95 HydrophobicContact CD-CE2 4.38Å; K93-F95 HydrophobicContact CD-CZ 3.7Å; K93-F95 VanDerWaalsContact CE-CE1 3.48Å; K93-F95 HydrophobicContact CG-CE1 4.27Å; K93-F95 HydrophobicContact CG-CE2 4.25Å; K93-F95 HydrophobicContact CG-CZ 4.03Å; F95-N97 VanDerWaalsContact C-N 3.33Å; F95-E100 HydrophobicContact CB-CB 4.14Å; F95-E100 HydrophobicContact CD1-CB 3.49Å; F95-E100 VanDerWaalsContact CD1-CB 3.49Å; F95-E100 HydrophobicContact CE1-CB 4.27Å; F95-E100 HydrophobicContact CG-CB 4.18Å; F95-V101 HydrophobicContact CB-CG2 3.69Å; F95-V101 HydrophobicContact CD2-CB 4.49Å; F95-V101 HydrophobicContact CD2-CG2 3.6Å; F95-V101 HydrophobicContact CE2-CG2 4.38Å; F95-V101 HydrophobicContact CG-CG2 3.72Å; F95-Q104 HydrophobicContact CE1-CB 3.88Å; F95-Q104 HydrophobicContact CE1-CG 4.38Å; F95-Q104 HydrophobicContact CZ-CB 4.21Å; F95-C105 WeakPolarHBondContact CE2-SG 3.13Å; F95-C105 WeakPolarHBondContact CZ-SG 3.45Å
96	S	74.6	Confident	86.5	Confident	90 Å²	90	67.7 Å²	67.7	63%	0.629	35%	0.35	S	S	*	.	S	Bend	trans	-76.7	-23.3	-175.5	68.9	0	0	0	0	113.3	E100	S96-E100 PolarHBondContact N-OE2 3.27Å; S96-E100 VanDerWaalsContact OG-CD 3.27Å; S96-E100 PolarHBondContact OG-OE1 3.14Å; S96-E100 PolarHBondContact OG-OE2 3.14Å
97	N	79.4	Confident	86.3	Confident	66 Å²	66	71 Å²	71	35%	0.353	37%	0.365	S	S	.	.	S	Bend	trans	-153.3	159.8	176	58.4	65.5	0	0	0	109.8	F95 S99 E100	F95-N97 VanDerWaalsContact C-N 3.33Å; N97-S99 PolarHBondContact O-N 3Å; N97-S99 WeakPolarHBondContact OD1-CA 3.24Å; N97-S99 VanDerWaalsContact OD1-CB 3.29Å; N97-S99 WeakPolarHBondContact OD1-CB 3.2Å; N97-S99 PolarHBondContact OD1-N 2.84Å; N97-S99 VanDerWaalsContact OD1-N 3.15Å; N97-E100 PolarHBondContact O-N 3.12Å; N97-E100 VanDerWaalsContact O-N 3.12Å; N97-E100 PolarHBondContact OD1-N 3.21Å
98	Y	84.2	Confident	85.9	Confident	8 Å²	8	70.3 Å²	70.3	3%	0.031	36%	0.357	C	S	.	.	H	α-helix	trans	-62	-28.3	-179.9	176.6	-95.1	0	0	0	113.4	Y43 L46 T47 K60 L61 E100 V101 Q102	Y43-Y98 AromaticContact CD1-CD1 3.85Å; Y43-Y98 HydrophobicContact CD1-CD1 3.85Å; Y43-Y98 AromaticContact CD1-CE1 3.23Å; Y43-Y98 HydrophobicContact CD1-CE1 3.23Å; Y43-Y98 HydrophobicContact CD2-CE1 4.47Å; Y43-Y98 HydrophobicContact CE1-CD1 4.49Å; Y43-Y98 AromaticContact CE1-CE1 3.58Å; Y43-Y98 HydrophobicContact CE1-CE1 3.58Å; Y43-Y98 AromaticContact CG-CD1 3.86Å; Y43-Y98 HydrophobicContact CG-CD1 3.86Å; Y43-Y98 AromaticContact CG-CE1 3.72Å; Y43-Y98 HydrophobicContact CG-CE1 3.72Å; L46-Y98 HydrophobicContact CB-CD2 3.78Å; L46-Y98 HydrophobicContact CB-CE2 3.62Å; L46-Y98 HydrophobicContact CB-CG 4.32Å; L46-Y98 HydrophobicContact CD1-CE1 4.33Å; L46-Y98 HydrophobicContact CD1-CE2 3.83Å; L46-Y98 WeakPolarHBondContact CD1-OH 3.21Å; L46-Y98 HydrophobicContact CG-CE2 4.27Å; T47-Y98 WeakPolarHBondContact OG1-CB 3Å; K60-Y98 WeakPolarHBondContact CA-OH 3.44Å; K60-Y98 HydrophobicContact CG-CE2 4.44Å; L61-Y98 PolarHBondContact N-OH 2.63Å; Y98-E100 PolarHBondContact O-N 3.04Å; Y98-V101 HydrophobicContact CD2-CB 4.28Å; Y98-V101 WeakPolarHBondContact O-CA 3.23Å; Y98-V101 WeakPolarHBondContact O-CB 3.35Å; Y98-V101 PolarHBondContact O-N 2.9Å; Y98-Q102 HydrophobicContact CE1-CB 4.2Å; Y98-Q102 PolarHBondContact O-N 3.22Å
99	S	84.1	Confident	85	Confident	58 Å²	58	75.2 Å²	75.2	41%	0.406	38%	0.382	S	S	.	.	H	α-helix	trans	-63.3	-25	176.4	-46.8	0	0	0	0	113.1	N97 R103	N97-S99 PolarHBondContact O-N 3Å; N97-S99 WeakPolarHBondContact OD1-CA 3.24Å; N97-S99 VanDerWaalsContact OD1-CB 3.29Å; N97-S99 WeakPolarHBondContact OD1-CB 3.2Å; N97-S99 PolarHBondContact OD1-N 2.84Å; N97-S99 VanDerWaalsContact OD1-N 3.15Å; S99-R103 WeakPolarHBondContact O-CG 3.41Å; S99-R103 PolarHBondContact O-N 2.81Å; S99-R103 PolarHBondContact O-NE 3.35Å
100	E	86.3	Confident	84	Confident	47 Å²	47	75.8 Å²	75.8	22%	0.22	40%	0.397	C	S	.	.	H	α-helix	trans	-74	-41.7	170.1	-67.1	177.8	178.8	0	0	112.1	F95 S96 N97 Y98 Q102 R103 Q104	F95-E100 HydrophobicContact CB-CB 4.14Å; F95-E100 HydrophobicContact CD1-CB 3.49Å; F95-E100 VanDerWaalsContact CD1-CB 3.49Å; F95-E100 HydrophobicContact CE1-CB 4.27Å; F95-E100 HydrophobicContact CG-CB 4.18Å; S96-E100 PolarHBondContact N-OE2 3.27Å; S96-E100 VanDerWaalsContact OG-CD 3.27Å; S96-E100 PolarHBondContact OG-OE1 3.14Å; S96-E100 PolarHBondContact OG-OE2 3.14Å; N97-E100 PolarHBondContact O-N 3.12Å; N97-E100 VanDerWaalsContact O-N 3.12Å; N97-E100 PolarHBondContact OD1-N 3.21Å; Y98-E100 PolarHBondContact O-N 3.04Å; E100-Q102 VanDerWaalsContact C-N 3.28Å; E100-Q102 PolarHBondContact O-N 2.93Å; E100-R103 PolarHBondContact O-N 2.83Å; E100-Q104 VanDerWaalsContact O-CB 3.29Å; E100-Q104 WeakPolarHBondContact O-CB 3.29Å; E100-Q104 WeakPolarHBondContact O-CG 3.14Å; E100-Q104 PolarHBondContact O-N 2.77Å
101	V	86.1	Confident	83.3	Confident	3 Å²	3	73.7 Å²	73.7	2%	0.018	39%	0.388	C	S	.	.	H	α-helix	trans	-56.6	-49.1	172.5	-176.3	0	0	0	0	108.9	Y58 K60 F95 Y98 R103 Q104 C105	Y58-V101 HydrophobicContact CD1-CG1 4.18Å; Y58-V101 HydrophobicContact CD1-CG2 3.72Å; Y58-V101 HydrophobicContact CE1-CG2 4.06Å; Y58-V101 HydrophobicContact CG-CG1 4.08Å; Y58-V101 HydrophobicContact CG-CG2 4.25Å; K60-V101 HydrophobicContact CD-CG1 4.26Å; K60-V101 WeakPolarHBondContact CD-O 3.35Å; K60-V101 HydrophobicContact CG-CG1 3.79Å; F95-V101 HydrophobicContact CB-CG2 3.69Å; F95-V101 HydrophobicContact CD2-CB 4.49Å; F95-V101 HydrophobicContact CD2-CG2 3.6Å; F95-V101 HydrophobicContact CE2-CG2 4.38Å; F95-V101 HydrophobicContact CG-CG2 3.72Å; Y98-V101 HydrophobicContact CD2-CB 4.28Å; Y98-V101 WeakPolarHBondContact O-CA 3.23Å; Y98-V101 WeakPolarHBondContact O-CB 3.35Å; Y98-V101 PolarHBondContact O-N 2.9Å; V101-R103 VanDerWaalsContact C-N 3.3Å; V101-R103 PolarHBondContact O-N 3.04Å; V101-Q104 PolarHBondContact O-N 3.24Å; V101-C105 HydrophobicContact CG1-CB 4.11Å; V101-C105 VanDerWaalsContact O-CB 3.24Å; V101-C105 WeakPolarHBondContact O-CB 2.96Å; V101-C105 PolarHBondContact O-N 2.87Å
102	Q	85.2	Confident	82.8	Confident	68 Å²	68	71.6 Å²	71.6	32%	0.318	37%	0.37	S	S	.	.	H	α-helix	trans	-57.6	-40.9	179.8	-171.7	-177	-6	0	0	112.6	Y43 K60 Y98 E100	Y43-Q102 PolarHBondContact OH-NE2 3.47Å; Y43-Q102 PolarHBondContact OH-OE1 3.1Å; K60-Q102 WeakPolarHBondContact CE-O 3.25Å; K60-Q102 PolarHBondContact NZ-O 2.85Å; Y98-Q102 HydrophobicContact CE1-CB 4.2Å; Y98-Q102 PolarHBondContact O-N 3.22Å; E100-Q102 VanDerWaalsContact C-N 3.28Å; E100-Q102 PolarHBondContact O-N 2.93Å
103	R	86.6	Confident	82.5	Confident	184 Å²	184	63.5 Å²	63.5	69%	0.694	33%	0.334	S	S	*	.	H	α-helix	trans	-79.8	-35.8	-179.7	-73.5	-177.9	-66.6	155.9	-2	113.9	S99 E100 V101	S99-R103 WeakPolarHBondContact O-CG 3.41Å; S99-R103 PolarHBondContact O-N 2.81Å; S99-R103 PolarHBondContact O-NE 3.35Å; E100-R103 PolarHBondContact O-N 2.83Å; V101-R103 VanDerWaalsContact C-N 3.3Å; V101-R103 PolarHBondContact O-N 3.04Å
104	Q	90.5	Very high	82.5	Confident	95 Å²	95	58.9 Å²	58.9	44%	0.444	31%	0.314	S	S	.	.	H	α-helix	trans	-105.9	-18.6	-164.9	-59.4	-177	39.3	0	0	114	F95 E100 V101	F95-Q104 HydrophobicContact CE1-CB 3.88Å; F95-Q104 HydrophobicContact CE1-CG 4.38Å; F95-Q104 HydrophobicContact CZ-CB 4.21Å; E100-Q104 VanDerWaalsContact O-CB 3.29Å; E100-Q104 WeakPolarHBondContact O-CB 3.29Å; E100-Q104 WeakPolarHBondContact O-CG 3.14Å; E100-Q104 PolarHBondContact O-N 2.77Å; V101-Q104 PolarHBondContact O-N 3.24Å
105	C	90.2	Very high	82.5	Confident	2 Å²	2	55.3 Å²	55.3	1%	0.014	29%	0.287	C	S	.	.			trans	-101.8	114.1	-177.5	-61.2	0	0	0	0	111.4	K60 T86 C88 F95 V101	K60-C105 HydrophobicContact CD-CB 4.13Å; K60-C105 WeakPolarHBondContact CD-O 3.35Å; K60-C105 WeakPolarHBondContact CE-O 3.28Å; K60-C105 PolarHBondContact NZ-O 3.43Å; T86-C105 HydrophobicContact CG2-CB 3.93Å; C88-C105 HydrophobicContact CB-CB 3.78Å; C88-C105 WeakPolarHBondContact CB-SG 3.49Å; C88-C105 WeakPolarHBondContact SG-CA 3.41Å; C88-C105 WeakPolarHBondContact SG-CB 3.43Å; C88-C105 CovalentContact SG-SG 2.03Å; C88-C105 PolarHBondContact SG-SG 3.35Å; F95-C105 WeakPolarHBondContact CE2-SG 3.13Å; F95-C105 WeakPolarHBondContact CZ-SG 3.45Å; V101-C105 HydrophobicContact CG1-CB 4.11Å; V101-C105 VanDerWaalsContact O-CB 3.24Å; V101-C105 WeakPolarHBondContact O-CB 2.96Å; V101-C105 PolarHBondContact O-N 2.87Å
106	A	89.4	Confident	82.7	Confident	55 Å²	55	54.6 Å²	54.6	46%	0.455	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-70.7	149.7	170.2	0	0	0	0	0	110.7	T86 E87	T86-A106 CarbonylContact C-O 3.59Å; T86-A106 VanDerWaalsContact CA-O 3.24Å; T86-A106 WeakPolarHBondContact CA-O 3.38Å; T86-A106 VanDerWaalsContact CB-O 3.23Å; T86-A106 WeakPolarHBondContact CB-O 3.46Å; E87-A106 PolarHBondContact N-O 3.28Å
107	F	86.9	Confident	83.3	Confident	70 Å²	70	51.9 Å²	51.9	31%	0.307	26%	0.264	S	S	.	.	B	Isolated β-bridge	trans	-63.3	136.8	169	-70.9	-64.7	0	0	0	109.7	K60 L62 A84 N109 I169	K60-F107 HydrophobicContact CB-CD1 4.45Å; K60-F107 HydrophobicContact CB-CE1 3.61Å; K60-F107 HydrophobicContact CB-CZ 4.01Å; L62-F107 HydrophobicContact CD1-CE1 4.06Å; L62-F107 HydrophobicContact CD1-CE2 4.06Å; L62-F107 HydrophobicContact CD1-CZ 3.79Å; A84-F107 HydrophobicContact CB-CD1 3.87Å; A84-F107 HydrophobicContact CB-CE1 3.91Å; F107-N109 PolarHBondContact O-N 3.01Å; F107-I169 HydrophobicContact CB-CD1 3.99Å; F107-I169 HydrophobicContact CD1-CD1 4.24Å; F107-I169 HydrophobicContact CG-CD1 4.4Å
108	R	83.8	Confident	83.7	Confident	99 Å²	99	48.7 Å²	48.7	37%	0.374	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-75.7	128	176.2	179.4	179.9	172.4	-141.1	-3.4	109	Q85 E87 G110 G111 I169	Q85-R108 PolarHBondContact O-N 3.07Å; E87-R108 HydrophobicContact CG-CB 3.92Å; E87-R108 HydrophobicContact CG-CG 4.41Å; R108-G110 PolarHBondContact O-N 3.33Å; R108-G111 WeakPolarHBondContact O-CA 3.18Å; R108-G111 PolarHBondContact O-N 2.82Å; R108-I169 WeakPolarHBondContact O-CD1 2.93Å
109	N	72.4	Confident	83.6	Confident	127 Å²	127	50.3 Å²	50.3	68%	0.679	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	125.2	172.9	-146.8	3.9	0	0	0	109.8	F107 G111	F107-N109 PolarHBondContact O-N 3.01Å; N109-G111 VanDerWaalsContact C-N 3.26Å; N109-G111 PolarHBondContact O-N 2.84Å
110	G	69.8	Low	83.4	Confident	50 Å²	50	47.8 Å²	47.8	52%	0.515	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.7	18	-169.5	0	0	0	0	0	114.8	R108	R108-G110 PolarHBondContact O-N 3.33Å
111	G	73.6	Confident	82.7	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.234	C	C	.	.			trans	-64.4	145.9	171.9	0	0	0	0	0	111.4	R108 N109	R108-G111 WeakPolarHBondContact O-CA 3.18Å; R108-G111 PolarHBondContact O-N 2.82Å; N109-G111 VanDerWaalsContact C-N 3.26Å; N109-G111 PolarHBondContact O-N 2.84Å
112	R	77.7	Confident	81.8	Confident	96 Å²	96	50.5 Å²	50.5	36%	0.362	25%	0.25	S	C	.	.			trans	-69.9	147.7	178.2	-62.1	162.4	-177.2	-174.3	-0	110.3	A84 Q85 R142	A84-R112 WeakPolarHBondContact CA-O 3.32Å; Q85-R112 HydrophobicContact CG-CB 4.23Å; Q85-R112 PolarHBondContact N-O 2.82Å; R112-R142 VanDerWaalsContact NE-CZ 3.34Å; R112-R142 VanDerWaalsContact NH1-NH1 3.19Å
113	V	79.7	Confident	80.4	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	141.1	173.7	179.6	0	0	0	0	109	Y82 V83 A84 M143 N167 I169 L172	Y82-V113 HydrophobicContact CD1-CG1 4.06Å; V83-V113 WeakPolarHBondContact O-CA 3.32Å; V83-V113 WeakPolarHBondContact O-CG1 3.4Å; A84-V113 HydrophobicContact CB-CG2 4.13Å; V113-M143 HydrophobicContact CG1-SD 4.13Å; V113-M143 PolarHBondContact O-N 2.77Å; V113-N167 WeakPolarHBondContact CB-OD1 3.14Å; V113-N167 PolarHBondContact N-OD1 3.3Å; V113-N167 PolarHBondContact O-OD1 2.85Å; V113-I169 HydrophobicContact CG2-CG1 3.84Å; V113-L172 HydrophobicContact CB-CD1 3.61Å; V113-L172 HydrophobicContact CG1-CD1 3.33Å; V113-L172 HydrophobicContact CG2-CD1 3.1Å
114	H	84.6	Confident	78.8	Confident	4 Å²	4	49.7 Å²	49.7	2%	0.019	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	142.6	171.2	-52.1	-117.4	0	0	0	108.1	E55 Y82 V83 C140 I141	E55-H114 IonicContact OE1-CE1 3.52Å; E55-H114 PolarHBondContact OE1-CE1 3.45Å; E55-H114 IonicContact OE1-NE2 2.7Å; Y82-H114 WeakPolarHBondContact CA-O 3.24Å; V83-H114 HydrophobicContact CG2-CB 3.71Å; V83-H114 PolarHBondContact N-O 2.85Å; V83-H114 PolarHBondContact O-N 3.49Å; H114-C140 HydrophobicContact CB-CB 4.26Å; H114-I141 CarbonylContact C-O 3.54Å; H114-I141 VanDerWaalsContact CA-O 3.23Å; H114-I141 WeakPolarHBondContact CA-O 3.22Å; H114-I141 WeakPolarHBondContact CB-O 3.11Å
115	L	83.7	Confident	76.7	Confident	24 Å²	24	48.2 Å²	48.2	13%	0.126	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	118	165.2	175.2	62.9	0	0	0	106.6	K65 Q80 Y82 C140 I141	K65-L115 HydrophobicContact CD-CD1 3.87Å; Q80-L115 HydrophobicContact CB-CD1 4.26Å; Y82-L115 HydrophobicContact CD1-CB 4.36Å; Y82-L115 HydrophobicContact CD1-CD1 4.01Å; Y82-L115 HydrophobicContact CE1-CB 4.29Å; Y82-L115 HydrophobicContact CE1-CD1 3.79Å; L115-C140 WeakPolarHBondContact O-CA 3.47Å; L115-I141 HydrophobicContact CB-CG1 4.14Å; L115-I141 PolarHBondContact N-O 2.79Å; L115-I141 WeakPolarHBondContact O-CG1 3.34Å; L115-I141 PolarHBondContact O-N 3.4Å
116	C	87.9	Confident	74.7	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	142.2	175.4	-60.7	0	0	0	0	110.2	Q80 F81 V83 F138 S139 C140	Q80-C116 CarbonylContact C-O 3.44Å; Q80-C116 VanDerWaalsContact CA-O 3.3Å; Q80-C116 WeakPolarHBondContact CA-O 3.32Å; F81-C116 HydrophobicContact CD1-CB 4.15Å; F81-C116 HydrophobicContact CD2-CB 3.95Å; F81-C116 HydrophobicContact CE1-CB 3.78Å; F81-C116 HydrophobicContact CE2-CB 3.57Å; F81-C116 HydrophobicContact CG-CB 4.26Å; F81-C116 HydrophobicContact CZ-CB 3.5Å; F81-C116 VanDerWaalsContact CZ-CB 3.5Å; F81-C116 PolarHBondContact N-O 3.33Å; F81-C116 PolarHBondContact O-N 3.17Å; V83-C116 WeakPolarHBondContact CG2-SG 3.43Å; C116-F138 HydrophobicContact CB-CE2 3.92Å; C116-S139 CarbonylContact C-O 3.51Å; C116-S139 WeakPolarHBondContact CA-O 3.49Å; C116-C140 HydrophobicContact CB-CB 4.13Å; C116-C140 WeakPolarHBondContact CB-SG 3.44Å; C116-C140 WeakPolarHBondContact SG-CB 3.25Å; C116-C140 CovalentContact SG-SG 2.04Å; C116-C140 PolarHBondContact SG-SG 3.49Å
117	T	87.2	Confident	72.8	Confident	33 Å²	33	59 Å²	59	20%	0.202	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	136.3	174.1	-54.1	0	0	0	0	107.4	T78 L79 Q80 F138 S139	T78-T117 HydrophobicContact CG2-CG2 3.89Å; L79-T117 CarbonylContact O-C 3.5Å; L79-T117 WeakPolarHBondContact O-CA 3.25Å; Q80-T117 HydrophobicContact CG-CG2 4.1Å; T117-F138 CarbonylContact O-C 3.56Å; T117-F138 VanDerWaalsContact O-CA 3.25Å; T117-F138 WeakPolarHBondContact O-CA 3.37Å; T117-S139 PolarHBondContact N-O 3.35Å; T117-S139 PolarHBondContact O-N 2.98Å
118	L	87.5	Confident	71.3	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	157.5	168.5	65	83.6	0	0	0	110.1	A45 T78 L79 F81 I120 L135 F138	A45-L118 HydrophobicContact CB-CD2 3.33Å; T78-L118 WeakPolarHBondContact CA-O 3.32Å; L79-L118 HydrophobicContact CB-CD1 3.82Å; L79-L118 HydrophobicContact CB-CG 4.03Å; L79-L118 HydrophobicContact CD2-CD1 4.15Å; L79-L118 HydrophobicContact CD2-CD2 4.22Å; L79-L118 HydrophobicContact CD2-CG 4.25Å; L79-L118 HydrophobicContact CG-CG 4.45Å; L79-L118 PolarHBondContact N-O 3.48Å; L79-L118 PolarHBondContact O-N 2.59Å; F81-L118 HydrophobicContact CE1-CD2 3.55Å; F81-L118 HydrophobicContact CE1-CG 3.98Å; F81-L118 HydrophobicContact CZ-CD2 4Å; L118-I120 HydrophobicContact CD1-CD1 3.99Å; L118-I120 HydrophobicContact CD1-CG1 3.3Å; L118-L135 HydrophobicContact CD1-CD2 3.76Å; L118-F138 HydrophobicContact CB-CB 4.18Å; L118-F138 HydrophobicContact CB-CD2 3.99Å; L118-F138 HydrophobicContact CD2-CD2 4.5Å
119	E	83.5	Confident	69.7	Low	42 Å²	42	61 Å²	61	20%	0.196	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	136.9	170.4	-74.4	166.5	-158	0	0	110	Y77 T78 L135 S136 N137	Y77-E119 CarbonylContact O-C 3.53Å; Y77-E119 VanDerWaalsContact O-CA 3.3Å; Y77-E119 WeakPolarHBondContact O-CA 3.09Å; T78-E119 WeakPolarHBondContact OG1-CG 3.47Å; E119-L135 VanDerWaalsContact O-CA 3.31Å; E119-L135 WeakPolarHBondContact O-CA 3.44Å; E119-S136 PolarHBondContact N-O 2.81Å; E119-S136 PolarHBondContact O-N 3.33Å; E119-S136 PolarHBondContact OE2-OG 2.86Å; E119-N137 HydrophobicContact CB-CB 4.49Å; E119-N137 HydrophobicContact CG-CB 4.16Å; E119-N137 PolarHBondContact OE1-ND2 3.5Å; E119-N137 PolarHBondContact OE2-ND2 2.88Å
120	I	78.8	Confident	68.5	Low	4 Å²	4	60.2 Å²	60.2	2%	0.021	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	105.6	175	-45.3	175.2	0	0	0	107.2	A41 L67 A76 Y77 L79 L118 L135	A41-I120 HydrophobicContact CB-CD1 3.48Å; A41-I120 VanDerWaalsContact CB-CD1 3.48Å; A41-I120 HydrophobicContact CB-CG1 4.27Å; L67-I120 HydrophobicContact CD1-CD1 4.42Å; A76-I120 CarbonylContact C-O 3.46Å; A76-I120 VanDerWaalsContact CA-O 3.26Å; A76-I120 WeakPolarHBondContact CA-O 3.47Å; Y77-I120 PolarHBondContact N-O 3.39Å; Y77-I120 PolarHBondContact O-N 3.37Å; L79-I120 HydrophobicContact CB-CD1 4.43Å; L79-I120 HydrophobicContact CD2-CD1 4.41Å; L118-I120 HydrophobicContact CD1-CD1 3.99Å; L118-I120 HydrophobicContact CD1-CG1 3.3Å; I120-L135 HydrophobicContact CB-CD2 4.2Å; I120-L135 HydrophobicContact CG1-CD2 3.73Å; I120-L135 HydrophobicContact CG2-CD2 4.16Å
121	G	72.4	Confident	67.7	Low	17 Å²	17	62 Å²	62	18%	0.175	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	134.3	174	0	0	0	0	0	111.7	T75 E133 R134	T75-G121 WeakPolarHBondContact O-CA 3.35Å; G121-E133 CarbonylContact O-C 3.57Å; G121-E133 VanDerWaalsContact O-CA 3.31Å; G121-E133 WeakPolarHBondContact O-CA 3.44Å; G121-R134 PolarHBondContact N-O 2.92Å; G121-R134 PolarHBondContact O-N 3.47Å
122	R	66.3	Low	66.7	Low	90 Å²	90	66 Å²	66	34%	0.34	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	121.1	168.8	-78.5	178.1	179.5	161.8	2.1	109.8	E37 T75 T131 E133	E37-R122 VanDerWaalsContact CD-NH2 3.29Å; E37-R122 IonicContact OE1-CZ 3.48Å; E37-R122 IonicContact OE1-NE 2.83Å; E37-R122 IonicContact OE1-NH2 2.8Å; E37-R122 PolarHBondContact OE1-NH2 2.9Å; E37-R122 IonicContact OE2-NH2 3.41Å; E37-R122 PolarHBondContact OE2-NH2 3.45Å; T75-R122 PolarHBondContact O-N 2.88Å; R122-T131 HydrophobicContact CB-CG2 4.03Å; R122-T131 HydrophobicContact CG-CG2 4.07Å; R122-E133 HydrophobicContact CG-CG 4Å; R122-E133 IonicContact NE-OE1 3.95Å; R122-E133 PolarHBondContact NE-OE1 3.38Å
123	T	56.5	Low	66	Low	71 Å²	71	66.5 Å²	66.5	44%	0.436	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	128.1	173.1	45.1	0	0	0	0	110.5	T131 L132	T123-T131 CarbonylContact O-C 3.54Å; T123-L132 PolarHBondContact N-O 2.84Å; T123-L132 PolarHBondContact O-N 3Å; T123-L132 WeakPolarHBondContact OG1-CB 3.41Å; T123-L132 PolarHBondContact OG1-O 3.31Å
124	E	52.7	Low	65.4	Low	165 Å²	165	75 Å²	75	77%	0.771	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.3	127.5	171.5	-71.3	-172.8	164.8	0	0	110.3	P126	E124-P126 WeakPolarHBondContact O-CD 3.29Å
125	H	46.6	Very low	64.9	Low	64 Å²	64	77.6 Å²	77.6	30%	0.296	40%	0.404	S	S	.	.			trans	-67.6	118.5	177.5	-160.6	-39.2	0	0	0	109.4	L127 K128 G129 E130 L132	H125-L127 PolarHBondContact O-N 2.79Å; H125-K128 HydrophobicContact CB-CB 4.38Å; H125-K128 PolarHBondContact O-N 3.33Å; H125-G129 PolarHBondContact O-N 3.17Å; H125-G129 VanDerWaalsContact O-N 3.17Å; H125-E130 HydrophobicContact CB-CB 4.21Å; H125-E130 WeakPolarHBondContact CB-O 3.26Å; H125-E130 PolarHBondContact N-O 2.87Å; H125-L132 HydrophobicContact CB-CD1 4.13Å; H125-L132 VanDerWaalsContact CD2-CD1 3.44Å; H125-L132 WeakPolarHBondContact CD2-CD1 3.15Å
126	P	46.8	Very low	64.6	Low	121 Å²	121	78.4 Å²	78.4	79%	0.786	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-7.8	-166.4	19.8	-31.6	0	0	0	115.8	E124	E124-P126 WeakPolarHBondContact O-CD 3.29Å
127	L	50	Low	64.2	Low	161 Å²	161	83.5 Å²	83.5	84%	0.843	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129	-6.2	-175.6	-70.8	167.4	0	0	0	113.7	H125	H125-L127 PolarHBondContact O-N 2.79Å
128	K	56	Low	64.1	Low	146 Å²	146	85.2 Å²	85.2	64%	0.635	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.9	-10.7	-174.6	-79.1	-172	173.2	-175.1	0	114.8	H125 E130	H125-K128 HydrophobicContact CB-CB 4.38Å; H125-K128 PolarHBondContact O-N 3.33Å; K128-E130 HydrophobicContact CB-CB 4.44Å; K128-E130 HydrophobicContact CB-CG 4.22Å; K128-E130 PolarHBondContact O-N 3.43Å; K128-E130 VanDerWaalsContact O-N 3.12Å
129	G	50.1	Low	64.1	Low	66 Å²	66	88 Å²	88	68%	0.68	46%	0.463	S	S	*	.			trans	62.8	13	-175	0	0	0	0	0	113.6	H125	H125-G129 PolarHBondContact O-N 3.17Å; H125-G129 VanDerWaalsContact O-N 3.17Å
130	E	46.7	Very low	64.2	Low	110 Å²	110	87.4 Å²	87.4	51%	0.514	46%	0.463	S	S	.	.			trans	-81.8	126.1	174.1	-74.3	175	159.7	0	0	108.7	H125 K128 L132	H125-E130 HydrophobicContact CB-CB 4.21Å; H125-E130 WeakPolarHBondContact CB-O 3.26Å; H125-E130 PolarHBondContact N-O 2.87Å; K128-E130 HydrophobicContact CB-CB 4.44Å; K128-E130 HydrophobicContact CB-CG 4.22Å; K128-E130 PolarHBondContact O-N 3.43Å; K128-E130 VanDerWaalsContact O-N 3.12Å; E130-L132 PolarHBondContact O-N 3.27Å
131	T	54.5	Low	64.3	Low	87 Å²	87	92.4 Å²	92.4	53%	0.534	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	109.8	171.8	-35.2	0	0	0	0	108.4	R122 T123	R122-T131 HydrophobicContact CB-CG2 4.03Å; R122-T131 HydrophobicContact CG-CG2 4.07Å; T123-T131 CarbonylContact O-C 3.54Å
132	L	51.1	Low	64.5	Low	86 Å²	86	96.1 Å²	96.1	45%	0.45	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	115.1	170.1	-83.6	162.5	0	0	0	108.8	T123 H125 E130	T123-L132 PolarHBondContact N-O 2.84Å; T123-L132 PolarHBondContact O-N 3Å; T123-L132 WeakPolarHBondContact OG1-CB 3.41Å; T123-L132 PolarHBondContact OG1-O 3.31Å; H125-L132 HydrophobicContact CB-CD1 4.13Å; H125-L132 VanDerWaalsContact CD2-CD1 3.44Å; H125-L132 WeakPolarHBondContact CD2-CD1 3.15Å; E130-L132 PolarHBondContact O-N 3.27Å
133	E	62.6	Low	64.7	Low	105 Å²	105	92.8 Å²	92.8	49%	0.491	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	127	168.6	-69.8	-178.8	170.8	0	0	109.6	G121 R122	G121-E133 CarbonylContact O-C 3.57Å; G121-E133 VanDerWaalsContact O-CA 3.31Å; G121-E133 WeakPolarHBondContact O-CA 3.44Å; R122-E133 HydrophobicContact CG-CG 4Å; R122-E133 IonicContact NE-OE1 3.95Å; R122-E133 PolarHBondContact NE-OE1 3.38Å
134	R	68.3	Low	64.7	Low	179 Å²	179	92.9 Å²	92.9	68%	0.675	48%	0.483	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.8	117.2	177.9	-172.1	176.4	-179.1	177.3	-0.9	108.4	G121	G121-R134 PolarHBondContact N-O 2.92Å; G121-R134 PolarHBondContact O-N 3.47Å
135	L	74.7	Confident	64.8	Low	59 Å²	59	88 Å²	88	31%	0.309	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	129.1	170.8	-63.4	167.5	0	0	0	109.2	F44 L118 E119 I120	F44-L135 HydrophobicContact CB-CD1 4.26Å; F44-L135 HydrophobicContact CD1-CD1 3.05Å; F44-L135 HydrophobicContact CE1-CD1 3.48Å; F44-L135 VanDerWaalsContact CE1-CD1 3.48Å; F44-L135 HydrophobicContact CG-CD1 3.86Å; L118-L135 HydrophobicContact CD1-CD2 3.76Å; E119-L135 VanDerWaalsContact O-CA 3.31Å; E119-L135 WeakPolarHBondContact O-CA 3.44Å; I120-L135 HydrophobicContact CB-CD2 4.2Å; I120-L135 HydrophobicContact CG1-CD2 3.73Å; I120-L135 HydrophobicContact CG2-CD2 4.16Å
136	S	77.2	Confident	64.7	Low	41 Å²	41	89 Å²	89	29%	0.287	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	170.2	178.5	49.5	0	0	0	0	111.4	E119 F138	E119-S136 PolarHBondContact N-O 2.81Å; E119-S136 PolarHBondContact O-N 3.33Å; E119-S136 PolarHBondContact OE2-OG 2.86Å; S136-F138 PolarHBondContact O-N 3.21Å
137	N	79.2	Confident	64.6	Low	107 Å²	107	88.7 Å²	88.7	57%	0.572	48%	0.477	S	S	*	.	E	Extended strand (participates in β ladder)	trans	52	29.3	172.5	-64.8	-9.1	0	0	0	115.1	E119 S139	E119-N137 HydrophobicContact CB-CB 4.49Å; E119-N137 HydrophobicContact CG-CB 4.16Å; E119-N137 PolarHBondContact OE1-ND2 3.5Å; E119-N137 PolarHBondContact OE2-ND2 2.88Å; N137-S139 PolarHBondContact O-N 3.45Å
138	F	85.6	Confident	64.4	Low	69 Å²	69	85 Å²	85	30%	0.303	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	119.7	175.3	176.7	-122.3	0	0	0	110.5	A45 Y49 F81 C116 T117 L118 S136 C140	A45-F138 HydrophobicContact CB-CD2 4.01Å; A45-F138 HydrophobicContact CB-CE2 3.88Å; A45-F138 HydrophobicContact CB-CG 4.43Å; A45-F138 HydrophobicContact CB-CZ 4.22Å; Y49-F138 AromaticContact CD2-CE1 3.74Å; Y49-F138 HydrophobicContact CD2-CE1 3.74Å; Y49-F138 AromaticContact CD2-CZ 3.74Å; Y49-F138 HydrophobicContact CD2-CZ 3.74Å; Y49-F138 HydrophobicContact CG-CE1 4.14Å; Y49-F138 HydrophobicContact CG-CZ 4.01Å; F81-F138 HydrophobicContact CE1-CE2 4.49Å; F81-F138 AromaticContact CZ-CE2 3.81Å; F81-F138 HydrophobicContact CZ-CE2 3.81Å; C116-F138 HydrophobicContact CB-CE2 3.92Å; T117-F138 CarbonylContact O-C 3.56Å; T117-F138 VanDerWaalsContact O-CA 3.25Å; T117-F138 WeakPolarHBondContact O-CA 3.37Å; L118-F138 HydrophobicContact CB-CB 4.18Å; L118-F138 HydrophobicContact CB-CD2 3.99Å; L118-F138 HydrophobicContact CD2-CD2 4.5Å; S136-F138 PolarHBondContact O-N 3.21Å; F138-C140 WeakPolarHBondContact CE2-SG 3.26Å; F138-C140 WeakPolarHBondContact CZ-SG 3.36Å
139	S	86.7	Confident	63.9	Low	59 Å²	59	83.1 Å²	83.1	41%	0.413	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	141.7	175.5	64.7	0	0	0	0	109.7	C116 T117 N137	C116-S139 CarbonylContact C-O 3.51Å; C116-S139 WeakPolarHBondContact CA-O 3.49Å; T117-S139 PolarHBondContact N-O 3.35Å; T117-S139 PolarHBondContact O-N 2.98Å; N137-S139 PolarHBondContact O-N 3.45Å
140	C	84.8	Confident	63.5	Low	29 Å²	29	85.7 Å²	85.7	20%	0.196	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	115.8	172	-64.2	0	0	0	0	109	Y49 H114 L115 C116 F138	Y49-C140 HydrophobicContact CD2-CB 4.16Å; Y49-C140 HydrophobicContact CE2-CB 3.59Å; H114-C140 HydrophobicContact CB-CB 4.26Å; L115-C140 WeakPolarHBondContact O-CA 3.47Å; C116-C140 HydrophobicContact CB-CB 4.13Å; C116-C140 WeakPolarHBondContact CB-SG 3.44Å; C116-C140 WeakPolarHBondContact SG-CB 3.25Å; C116-C140 CovalentContact SG-SG 2.04Å; C116-C140 PolarHBondContact SG-SG 3.49Å; F138-C140 WeakPolarHBondContact CE2-SG 3.26Å; F138-C140 WeakPolarHBondContact CZ-SG 3.36Å
141	I	82	Confident	63.2	Low	108 Å²	108	81.8 Å²	81.8	55%	0.554	46%	0.455	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.8	129.3	174.4	57.3	171.2	0	0	0	109.4	H114 L115 M143	H114-I141 CarbonylContact C-O 3.54Å; H114-I141 VanDerWaalsContact CA-O 3.23Å; H114-I141 WeakPolarHBondContact CA-O 3.22Å; H114-I141 WeakPolarHBondContact CB-O 3.11Å; L115-I141 HydrophobicContact CB-CG1 4.14Å; L115-I141 PolarHBondContact N-O 2.79Å; L115-I141 WeakPolarHBondContact O-CG1 3.34Å; L115-I141 PolarHBondContact O-N 3.4Å; I141-M143 PolarHBondContact O-N 2.82Å
142	R	76	Confident	62.6	Low	96 Å²	96	82.5 Å²	82.5	36%	0.362	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	128.1	170.7	-175.1	174.5	173.4	-159.9	-7.7	108	R112 L144	R112-R142 VanDerWaalsContact NE-CZ 3.34Å; R112-R142 VanDerWaalsContact NH1-NH1 3.19Å; R142-L144 HydrophobicContact CB-CG 4.31Å; R142-L144 HydrophobicContact CG-CD2 3.91Å; R142-L144 HydrophobicContact CG-CG 4.06Å; R142-L144 PolarHBondContact O-N 3.49Å
143	M	70.4	Confident	62.1	Low	19 Å²	19	87.6 Å²	87.6	9%	0.094	49%	0.485	C	S	.	.			trans	-69.8	99.5	173.8	-62.3	-168.1	66.8	0	0	108.7	Y82 V113 I141 L163 L164 N167	Y82-M143 HydrophobicContact CD1-SD 4.24Å; Y82-M143 HydrophobicContact CE1-SD 3.97Å; V113-M143 HydrophobicContact CG1-SD 4.13Å; V113-M143 PolarHBondContact O-N 2.77Å; I141-M143 PolarHBondContact O-N 2.82Å; M143-L163 HydrophobicContact CE-CB 3.49Å; M143-L163 VanDerWaalsContact CE-CB 3.49Å; M143-L163 HydrophobicContact CE-CD1 4.19Å; M143-L163 HydrophobicContact CE-CG 4.41Å; M143-L164 HydrophobicContact CE-CD2 4.46Å; M143-N167 VanDerWaalsContact O-CG 3.27Å; M143-N167 PolarHBondContact O-ND2 2.74Å
144	L	57.8	Low	61.4	Low	73 Å²	73	84.7 Å²	84.7	38%	0.382	48%	0.484	S	S	.	.			trans	-104.5	139.9	179.7	-70	177.8	0	0	0	110.2	R142 A146 L164	R142-L144 HydrophobicContact CB-CG 4.31Å; R142-L144 HydrophobicContact CG-CD2 3.91Å; R142-L144 HydrophobicContact CG-CG 4.06Å; R142-L144 PolarHBondContact O-N 3.49Å; L144-A146 PolarHBondContact O-N 2.95Å; L144-L164 WeakPolarHBondContact O-CD2 3.41Å
145	P	52.9	Low	60.5	Low	63 Å²	63	84.7 Å²	84.7	41%	0.409	49%	0.491	S	S	.	.	G	3₁₀ helix	trans	-61.2	-10.8	175.2	-15.6	22.4	0	0	0	115.1	D147 L164	P145-D147 PolarHBondContact O-N 2.8Å; P145-L164 WeakPolarHBondContact CA-O 3.31Å; P145-L164 VanDerWaalsContact CB-O 3.24Å; P145-L164 WeakPolarHBondContact CB-O 3.07Å; P145-L164 WeakPolarHBondContact CD-O 3.38Å; P145-L164 WeakPolarHBondContact CG-O 3.35Å
146	A	46	Very low	59.7	Low	84 Å²	84	87.2 Å²	87.2	69%	0.694	51%	0.505	S	S	*	.	G	3₁₀ helix	trans	-81.7	-2.6	-164.7	0	0	0	0	0	115.9	L144	L144-A146 PolarHBondContact O-N 2.95Å
147	D	44.1	Very low	59.5	Low	116 Å²	116	86 Å²	86	62%	0.62	50%	0.495	S	S	*	.	G	3₁₀ helix	trans	-103.3	20.1	176.8	-75.8	-23.3	0	0	0	113.6	P145 S149	P145-D147 PolarHBondContact O-N 2.8Å; D147-S149 PolarHBondContact O-N 3.33Å; D147-S149 VanDerWaalsContact O-N 3.12Å
148	S	46.9	Very low	59.6	Low	82 Å²	82	82.2 Å²	82.2	57%	0.573	48%	0.475	S	S	*	.	G	3₁₀ helix	trans	-72.1	-3.3	-174.7	82.5	0	0	0	0	115.1
149	S	43.9	Very low	59.5	Low	107 Å²	107	79.3 Å²	79.3	75%	0.748	46%	0.463	S	S	*	.	G	3₁₀ helix	trans	-84.3	-3.8	-173	53.4	0	0	0	0	115	D147	D147-S149 PolarHBondContact O-N 3.33Å; D147-S149 VanDerWaalsContact O-N 3.12Å
150	T	41.3	Very low	59	Low	120 Å²	120	83.3 Å²	83.3	74%	0.736	47%	0.468	S	S	*	.	G	3₁₀ helix	trans	-127.6	17.1	-174	55.2	0	0	0	0	114.6	S152	T150-S152 PolarHBondContact O-N 2.81Å
151	L	40.4	Very low	58.8	Low	28 Å²	28	85.4 Å²	85.4	15%	0.147	47%	0.474	C	S	.	.			trans	-86	110	-171.6	-70.9	164.8	0	0	0	112.1	D157 K161 L164	L151-D157 WeakPolarHBondContact CB-OD1 3.44Å; L151-K161 HydrophobicContact CD1-CG 4.07Å; L151-L164 HydrophobicContact CD1-CD1 3.67Å
152	S	42.3	Very low	59	Low	102 Å²	102	80.4 Å²	80.4	71%	0.713	45%	0.449	S	S	*	.			trans	-68.2	139	174.1	61	0	0	0	0	112	T150 G154	T150-S152 PolarHBondContact O-N 2.81Å; S152-G154 PolarHBondContact O-N 3.33Å
153	E	41.6	Very low	59.2	Low	193 Å²	193	76 Å²	76	90%	0.902	43%	0.432	S	S	*	.			trans	-63.3	109.3	-178.9	-62	176.4	163.1	0	0	112
154	G	47.7	Very low	59.5	Low	45 Å²	45	76 Å²	76	46%	0.464	43%	0.432	S	S	.	.			trans	-150.1	159.1	168.7	0	0	0	0	0	109.6	S152 D156 D157	S152-G154 PolarHBondContact O-N 3.33Å; G154-D156 PolarHBondContact O-N 2.81Å; G154-D156 VanDerWaalsContact O-N 3.07Å; G154-D157 WeakPolarHBondContact O-CA 3.37Å; G154-D157 WeakPolarHBondContact O-CB 3.41Å; G154-D157 PolarHBondContact O-N 3.12Å
155	E	49.8	Very low	60.7	Low	178 Å²	178	78.3 Å²	78.3	83%	0.832	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-18	-171.6	-144.5	171.4	172.6	0	0	114.2	D157	E155-D157 VanDerWaalsContact C-N 3.3Å
156	D	57.8	Low	62.2	Low	112 Å²	112	76.9 Å²	76.9	60%	0.599	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-1	173	-150.1	20.5	0	0	0	113.2	G154 R160	G154-D156 PolarHBondContact O-N 2.81Å; G154-D156 VanDerWaalsContact O-N 3.07Å; D156-R160 PolarHBondContact O-N 3.23Å
157	D	71.8	Confident	63.7	Low	17 Å²	17	73.9 Å²	73.9	9%	0.091	40%	0.396	C	S	.	.	H	α-helix	trans	-75.8	-34.6	-176.2	-176.4	39.6	0	0	0	112.2	L151 G154 E155 R160 K161	L151-D157 WeakPolarHBondContact CB-OD1 3.44Å; G154-D157 WeakPolarHBondContact O-CA 3.37Å; G154-D157 WeakPolarHBondContact O-CB 3.41Å; G154-D157 PolarHBondContact O-N 3.12Å; E155-D157 VanDerWaalsContact C-N 3.3Å; D157-R160 PolarHBondContact O-N 2.72Å; D157-K161 VanDerWaalsContact CG-CE 3.45Å; D157-K161 VanDerWaalsContact O-CB 3.27Å; D157-K161 WeakPolarHBondContact O-CB 3.27Å; D157-K161 WeakPolarHBondContact O-CG 3.45Å; D157-K161 PolarHBondContact O-N 2.79Å; D157-K161 WeakPolarHBondContact OD1-CE 3.5Å; D157-K161 IonicContact OD1-NZ 3.84Å; D157-K161 WeakPolarHBondContact OD2-CD 3.06Å; D157-K161 WeakPolarHBondContact OD2-CE 3.38Å; D157-K161 IonicContact OD2-NZ 2.93Å; D157-K161 PolarHBondContact OD2-NZ 2.79Å
158	L	81.9	Confident	65.4	Low	26 Å²	26	68.5 Å²	68.5	14%	0.136	37%	0.367	C	S	.	.	H	α-helix	trans	-68	-45.8	-178	-175.9	61.5	0	0	0	112	R160 K161 L162 K190 L193 W199	L158-R160 VanDerWaalsContact C-N 3.31Å; L158-R160 PolarHBondContact O-N 2.78Å; L158-K161 PolarHBondContact O-N 3.26Å; L158-L162 HydrophobicContact CD1-CD1 4.41Å; L158-L162 HydrophobicContact CD1-CG 4.25Å; L158-L162 HydrophobicContact CG-CD1 4.09Å; L158-L162 HydrophobicContact CG-CG 4.38Å; L158-L162 WeakPolarHBondContact O-CB 3.44Å; L158-L162 VanDerWaalsContact O-CG 3.26Å; L158-L162 WeakPolarHBondContact O-CG 3.31Å; L158-L162 PolarHBondContact O-N 2.94Å; L158-K190 HydrophobicContact CD2-CB 4.08Å; L158-K190 HydrophobicContact CD2-CG 4.2Å; L158-L193 HydrophobicContact CD2-CB 3.98Å; L158-L193 HydrophobicContact CD2-CD1 4.11Å; L158-W199 HydrophobicContact CD1-CZ3 4.17Å
159	D	83.4	Confident	66.8	Low	9 Å²	9	65.1 Å²	65.1	5%	0.048	34%	0.343	C	S	.	.	H	α-helix	trans	-60.4	-44.3	176.3	-80.5	-32	0	0	0	110.7	L162 L163 I175 W186 K190	D159-L162 PolarHBondContact O-N 2.86Å; D159-L163 WeakPolarHBondContact O-CB 3.26Å; D159-L163 VanDerWaalsContact O-CG 3.23Å; D159-L163 WeakPolarHBondContact O-CG 3.3Å; D159-L163 PolarHBondContact O-N 3.41Å; D159-I175 HydrophobicContact CB-CD1 4.04Å; D159-I175 HydrophobicContact CB-CG2 3.96Å; D159-I175 WeakPolarHBondContact OD1-CG1 3.21Å; D159-W186 PolarHBondContact OD1-NE1 2.85Å; D159-K190 VanDerWaalsContact OD1-CD 3.28Å; D159-K190 WeakPolarHBondContact OD1-CD 3.13Å; D159-K190 WeakPolarHBondContact OD2-CD 3.47Å; D159-K190 IonicContact OD2-NZ 3.9Å; D159-K190 PolarHBondContact OD2-NZ 2.83Å
160	R	76.2	Confident	68.6	Low	142 Å²	142	65.4 Å²	65.4	54%	0.536	33%	0.327	S	S	.	.	H	α-helix	trans	-61.1	-45.6	174.9	-172.2	175.9	179	-163.1	-2.5	111.9	D156 D157 L158 L162 L163 L164	D156-R160 PolarHBondContact O-N 3.23Å; D157-R160 PolarHBondContact O-N 2.72Å; L158-R160 VanDerWaalsContact C-N 3.31Å; L158-R160 PolarHBondContact O-N 2.78Å; R160-L162 PolarHBondContact O-N 2.92Å; R160-L163 PolarHBondContact O-N 2.66Å; R160-L164 HydrophobicContact CG-CD1 3.91Å; R160-L164 HydrophobicContact CG-CG 4.32Å; R160-L164 WeakPolarHBondContact O-CB 3.49Å; R160-L164 WeakPolarHBondContact O-CG 3.48Å; R160-L164 PolarHBondContact O-N 3.17Å
161	K	80.8	Confident	70.7	Confident	73 Å²	73	59.7 Å²	59.7	32%	0.317	29%	0.292	S	S	.	.	H	α-helix	trans	-59.9	-44.4	176.4	-80.2	171.4	170	169.1	0	111.8	L151 D157 L158 R165 W199	L151-K161 HydrophobicContact CD1-CG 4.07Å; D157-K161 VanDerWaalsContact CG-CE 3.45Å; D157-K161 VanDerWaalsContact O-CB 3.27Å; D157-K161 WeakPolarHBondContact O-CB 3.27Å; D157-K161 WeakPolarHBondContact O-CG 3.45Å; D157-K161 PolarHBondContact O-N 2.79Å; D157-K161 WeakPolarHBondContact OD1-CE 3.5Å; D157-K161 IonicContact OD1-NZ 3.84Å; D157-K161 WeakPolarHBondContact OD2-CD 3.06Å; D157-K161 WeakPolarHBondContact OD2-CE 3.38Å; D157-K161 IonicContact OD2-NZ 2.93Å; D157-K161 PolarHBondContact OD2-NZ 2.79Å; L158-K161 PolarHBondContact O-N 3.26Å; K161-R165 VanDerWaalsContact O-CB 3.23Å; K161-R165 WeakPolarHBondContact O-CB 3.44Å; K161-R165 PolarHBondContact O-N 2.89Å; K161-W199 HydrophobicContact CB-CH2 4.13Å; K161-W199 HydrophobicContact CB-CZ3 4.3Å
162	L	85.4	Confident	72.6	Confident	4 Å²	4	58.5 Å²	58.5	2%	0.021	29%	0.286	C	S	.	.	H	α-helix	trans	-65.5	-44.3	177.3	-68.3	171.8	0	0	0	111.3	L158 D159 R160 R165 F166 L171 W186 W199 L206	L158-L162 HydrophobicContact CD1-CD1 4.41Å; L158-L162 HydrophobicContact CD1-CG 4.25Å; L158-L162 HydrophobicContact CG-CD1 4.09Å; L158-L162 HydrophobicContact CG-CG 4.38Å; L158-L162 WeakPolarHBondContact O-CB 3.44Å; L158-L162 VanDerWaalsContact O-CG 3.26Å; L158-L162 WeakPolarHBondContact O-CG 3.31Å; L158-L162 PolarHBondContact O-N 2.94Å; D159-L162 PolarHBondContact O-N 2.86Å; R160-L162 PolarHBondContact O-N 2.92Å; L162-R165 PolarHBondContact O-N 2.74Å; L162-F166 HydrophobicContact CD2-CD2 4.35Å; L162-F166 HydrophobicContact CD2-CE2 3.84Å; L162-F166 WeakPolarHBondContact O-CD2 3.11Å; L162-F166 PolarHBondContact O-N 2.82Å; L162-L171 VanDerWaalsContact C-CD2 3.48Å; L162-L171 HydrophobicContact CB-CD2 3.8Å; L162-L171 WeakPolarHBondContact O-CD2 3.15Å; L162-W186 HydrophobicContact CD1-CH2 3.87Å; L162-W186 HydrophobicContact CD1-CZ2 3.8Å; L162-W199 HydrophobicContact CD2-CH2 4.33Å; L162-W199 HydrophobicContact CD2-CZ3 4.19Å; L162-L206 HydrophobicContact CD2-CD1 4.3Å; L162-L206 HydrophobicContact CD2-CD2 4.04Å
163	L	80.1	Confident	74.4	Confident	3 Å²	3	57.7 Å²	57.7	2%	0.016	27%	0.274	C	S	.	.	H	α-helix	trans	-65.3	-40.9	177.7	-72.6	174.5	0	0	0	112.6	M143 D159 R160 N167 L171 L172 I175	M143-L163 HydrophobicContact CE-CB 3.49Å; M143-L163 VanDerWaalsContact CE-CB 3.49Å; M143-L163 HydrophobicContact CE-CD1 4.19Å; M143-L163 HydrophobicContact CE-CG 4.41Å; D159-L163 WeakPolarHBondContact O-CB 3.26Å; D159-L163 VanDerWaalsContact O-CG 3.23Å; D159-L163 WeakPolarHBondContact O-CG 3.3Å; D159-L163 PolarHBondContact O-N 3.41Å; R160-L163 PolarHBondContact O-N 2.66Å; L163-N167 WeakPolarHBondContact O-CA 3.22Å; L163-N167 PolarHBondContact O-N 2.79Å; L163-L171 HydrophobicContact CD2-CD2 3.99Å; L163-L171 HydrophobicContact CD2-CG 4.06Å; L163-L172 HydrophobicContact CD1-CD2 3.64Å; L163-L172 HydrophobicContact CD2-CB 4.46Å; L163-L172 HydrophobicContact CD2-CD1 4.31Å; L163-L172 HydrophobicContact CD2-CD2 3.32Å; L163-L172 HydrophobicContact CD2-CG 3.39Å; L163-L172 HydrophobicContact CG-CD2 4.13Å; L163-I175 HydrophobicContact CD1-CD1 3.97Å; L163-I175 HydrophobicContact CD2-CD1 3.7Å; L163-I175 HydrophobicContact CG-CD1 3.51Å
164	L	77.7	Confident	76.3	Confident	18 Å²	18	49.6 Å²	49.6	9%	0.094	24%	0.237	C	C	.	.	H	α-helix	trans	-64.6	-43.1	174	-70.7	171.4	0	0	0	110.5	M143 L144 P145 L151 R160	M143-L164 HydrophobicContact CE-CD2 4.46Å; L144-L164 WeakPolarHBondContact O-CD2 3.41Å; P145-L164 WeakPolarHBondContact CA-O 3.31Å; P145-L164 VanDerWaalsContact CB-O 3.24Å; P145-L164 WeakPolarHBondContact CB-O 3.07Å; P145-L164 WeakPolarHBondContact CD-O 3.38Å; P145-L164 WeakPolarHBondContact CG-O 3.35Å; L151-L164 HydrophobicContact CD1-CD1 3.67Å; R160-L164 HydrophobicContact CG-CD1 3.91Å; R160-L164 HydrophobicContact CG-CG 4.32Å; R160-L164 WeakPolarHBondContact O-CB 3.49Å; R160-L164 WeakPolarHBondContact O-CG 3.48Å; R160-L164 PolarHBondContact O-N 3.17Å
165	R	82.8	Confident	78	Confident	123 Å²	123	48 Å²	48	46%	0.464	22%	0.218	S	C	.	.	H	α-helix	trans	-64.8	-47.2	-179.1	-179.6	62.5	177.6	-171.7	-0.8	112.8	K161 L162 W199	K161-R165 VanDerWaalsContact O-CB 3.23Å; K161-R165 WeakPolarHBondContact O-CB 3.44Å; K161-R165 PolarHBondContact O-N 2.89Å; L162-R165 PolarHBondContact O-N 2.74Å; R165-W199 HydrophobicContact CB-CH2 4.44Å; R165-W199 HydrophobicContact CB-CZ2 4.17Å; R165-W199 HydrophobicContact CG-CZ2 3.95Å
166	F	84.4	Confident	79.3	Confident	32 Å²	32	44.4 Å²	44.4	14%	0.14	20%	0.197	C	C	.	.	H	α-helix	trans	-104.5	-23.3	-169.5	-59.7	-56.2	0	0	0	114.3	L162 S168 L171 Y200 E203 L206	L162-F166 HydrophobicContact CD2-CD2 4.35Å; L162-F166 HydrophobicContact CD2-CE2 3.84Å; L162-F166 WeakPolarHBondContact O-CD2 3.11Å; L162-F166 PolarHBondContact O-N 2.82Å; F166-S168 VanDerWaalsContact C-N 3.33Å; F166-S168 PolarHBondContact O-N 2.87Å; F166-L171 HydrophobicContact CB-CD2 4.08Å; F166-L171 HydrophobicContact CD2-CD2 3.99Å; F166-Y200 WeakPolarHBondContact CZ-O 3.5Å; F166-E203 HydrophobicContact CB-CB 4.29Å; F166-E203 HydrophobicContact CD1-CB 3.78Å; F166-E203 HydrophobicContact CE1-CB 4.29Å; F166-E203 HydrophobicContact CG-CB 3.99Å; F166-L206 HydrophobicContact CD2-CD2 4.14Å; F166-L206 HydrophobicContact CE2-CD2 3.84Å
167	N	78.6	Confident	80.1	Confident	22 Å²	22	39.5 Å²	39.5	12%	0.118	17%	0.171	C	C	.	.			trans	39.5	57.6	-178.1	-172.4	6.4	0	0	0	112.9	V113 M143 L163	V113-N167 WeakPolarHBondContact CB-OD1 3.14Å; V113-N167 PolarHBondContact N-OD1 3.3Å; V113-N167 PolarHBondContact O-OD1 2.85Å; M143-N167 VanDerWaalsContact O-CG 3.27Å; M143-N167 PolarHBondContact O-ND2 2.74Å; L163-N167 WeakPolarHBondContact O-CA 3.22Å; L163-N167 PolarHBondContact O-N 2.79Å
168	S	78.7	Confident	80.2	Confident	3 Å²	3	47.8 Å²	47.8	2%	0.021	21%	0.207	C	C	.	.			trans	-123.7	132.9	-170.9	171.6	0	0	0	0	113	F166 R170 L171 L172 E203	F166-S168 VanDerWaalsContact C-N 3.33Å; F166-S168 PolarHBondContact O-N 2.87Å; S168-R170 PolarHBondContact O-N 3.18Å; S168-R170 PolarHBondContact OG-N 3.46Å; S168-R170 VanDerWaalsContact OG-N 3.11Å; S168-L171 WeakPolarHBondContact O-CB 3.45Å; S168-L171 PolarHBondContact O-N 2.88Å; S168-L171 VanDerWaalsContact O-N 3.17Å; S168-L172 PolarHBondContact O-N 3.29Å; S168-E203 VanDerWaalsContact CB-CD 3.49Å; S168-E203 WeakPolarHBondContact CB-OE1 3.49Å; S168-E203 VanDerWaalsContact OG-CD 3.29Å; S168-E203 PolarHBondContact OG-OE1 2.68Å; S168-E203 PolarHBondContact OG-OE2 3.12Å
169	I	76.8	Confident	80.1	Confident	11 Å²	11	49.7 Å²	49.7	6%	0.056	22%	0.219	C	C	.	.	H	α-helix	trans	-58.8	-37.1	171.3	-59.4	175.8	0	0	0	111.4	L62 A84 F107 R108 V113 L171 L172 N173	L62-I169 HydrophobicContact CD1-CG2 3.93Å; A84-I169 HydrophobicContact CB-CD1 3.53Å; A84-I169 HydrophobicContact CB-CG1 3.7Å; F107-I169 HydrophobicContact CB-CD1 3.99Å; F107-I169 HydrophobicContact CD1-CD1 4.24Å; F107-I169 HydrophobicContact CG-CD1 4.4Å; R108-I169 WeakPolarHBondContact O-CD1 2.93Å; V113-I169 HydrophobicContact CG2-CG1 3.84Å; I169-L171 VanDerWaalsContact C-N 3.3Å; I169-L171 PolarHBondContact O-N 2.6Å; I169-L172 PolarHBondContact O-N 2.99Å; I169-N173 PolarHBondContact O-N 3.32Å; I169-N173 PolarHBondContact O-ND2 3.47Å
170	R	82.2	Confident	80	Confident	112 Å²	112	52.4 Å²	52.4	42%	0.423	24%	0.243	S	C	.	.	H	α-helix	trans	-62.2	-43.3	177.4	-87.4	177.4	61.1	-164.6	-2.4	110.6	S168 N173 L174 F207	S168-R170 PolarHBondContact O-N 3.18Å; S168-R170 PolarHBondContact OG-N 3.46Å; S168-R170 VanDerWaalsContact OG-N 3.11Å; R170-N173 PolarHBondContact O-N 2.98Å; R170-L174 PolarHBondContact O-N 3.16Å; R170-F207 HydrophobicContact CB-CE1 4.42Å; R170-F207 HydrophobicContact CB-CE2 4.28Å; R170-F207 HydrophobicContact CB-CZ 3.78Å; R170-F207 VanDerWaalsContact NH2-CG 3.28Å
171	L	84.2	Confident	80.1	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-66.7	-41.5	178	-179.5	63.8	0	0	0	111.4	L162 L163 F166 S168 I169 N173 L174 I175 W186 L206 F207	L162-L171 VanDerWaalsContact C-CD2 3.48Å; L162-L171 HydrophobicContact CB-CD2 3.8Å; L162-L171 WeakPolarHBondContact O-CD2 3.15Å; L163-L171 HydrophobicContact CD2-CD2 3.99Å; L163-L171 HydrophobicContact CD2-CG 4.06Å; F166-L171 HydrophobicContact CB-CD2 4.08Å; F166-L171 HydrophobicContact CD2-CD2 3.99Å; S168-L171 WeakPolarHBondContact O-CB 3.45Å; S168-L171 PolarHBondContact O-N 2.88Å; S168-L171 VanDerWaalsContact O-N 3.17Å; I169-L171 VanDerWaalsContact C-N 3.3Å; I169-L171 PolarHBondContact O-N 2.6Å; L171-N173 PolarHBondContact O-N 2.78Å; L171-L174 CarbonylContact O-C 3.57Å; L171-L174 WeakPolarHBondContact O-CA 3.34Å; L171-L174 WeakPolarHBondContact O-CB 3.27Å; L171-L174 PolarHBondContact O-N 3.41Å; L171-I175 HydrophobicContact CD1-CD1 3.96Å; L171-I175 HydrophobicContact CD1-CG1 4.13Å; L171-I175 HydrophobicContact CD2-CD1 4.23Å; L171-I175 HydrophobicContact CG-CD1 3.7Å; L171-I175 HydrophobicContact CG-CG1 4.25Å; L171-I175 WeakPolarHBondContact O-CG1 3.41Å; L171-I175 PolarHBondContact O-N 3Å; L171-W186 HydrophobicContact CD1-CH2 4.05Å; L171-W186 HydrophobicContact CD1-CZ2 4.32Å; L171-L206 HydrophobicContact CD1-CD2 3.91Å; L171-F207 HydrophobicContact CB-CE2 4.32Å; L171-F207 HydrophobicContact CB-CZ 4.38Å
172	L	80.2	Confident	80.1	Confident	4 Å²	4	52.7 Å²	52.7	2%	0.021	25%	0.252	C	S	.	.	H	α-helix	trans	-60.5	-43.4	175.2	-76.8	158.6	0	0	0	113	L62 Y82 V113 L163 S168 I169 L174 I175 Y176	L62-L172 HydrophobicContact CD2-CB 3.7Å; L62-L172 HydrophobicContact CD2-CD1 3.34Å; L62-L172 HydrophobicContact CD2-CG 4.06Å; Y82-L172 HydrophobicContact CD1-CD2 4.35Å; Y82-L172 HydrophobicContact CE1-CD2 4.38Å; Y82-L172 HydrophobicContact CG-CD2 4.42Å; V113-L172 HydrophobicContact CB-CD1 3.61Å; V113-L172 HydrophobicContact CG1-CD1 3.33Å; V113-L172 HydrophobicContact CG2-CD1 3.1Å; L163-L172 HydrophobicContact CD1-CD2 3.64Å; L163-L172 HydrophobicContact CD2-CB 4.46Å; L163-L172 HydrophobicContact CD2-CD1 4.31Å; L163-L172 HydrophobicContact CD2-CD2 3.32Å; L163-L172 HydrophobicContact CD2-CG 3.39Å; L163-L172 HydrophobicContact CG-CD2 4.13Å; S168-L172 PolarHBondContact O-N 3.29Å; I169-L172 PolarHBondContact O-N 2.99Å; L172-L174 PolarHBondContact O-N 3.42Å; L172-I175 PolarHBondContact O-N 3.12Å; L172-Y176 HydrophobicContact CD2-CD2 4.06Å; L172-Y176 HydrophobicContact CD2-CE2 3.9Å; L172-Y176 PolarHBondContact O-N 3.45Å
173	N	80.8	Confident	80	Confident	85 Å²	85	58.7 Å²	58.7	46%	0.455	27%	0.274	S	S	.	.	H	α-helix	trans	-63.8	-24.1	175.3	-72.9	-31.3	0	0	0	112.5	I169 R170 L171 P177	I169-N173 PolarHBondContact O-N 3.32Å; I169-N173 PolarHBondContact O-ND2 3.47Å; R170-N173 PolarHBondContact O-N 2.98Å; L171-N173 PolarHBondContact O-N 2.78Å; N173-P177 VanDerWaalsContact O-CA 3.29Å; N173-P177 WeakPolarHBondContact O-CA 3.44Å
174	L	81.8	Confident	80.4	Confident	23 Å²	23	64.2 Å²	64.2	12%	0.12	30%	0.298	C	S	.	.	H	α-helix	trans	-83	-38	176	-179.4	59.8	0	0	0	112.4	R170 L171 L172 P177 W186 F207 F210	R170-L174 PolarHBondContact O-N 3.16Å; L171-L174 CarbonylContact O-C 3.57Å; L171-L174 WeakPolarHBondContact O-CA 3.34Å; L171-L174 WeakPolarHBondContact O-CB 3.27Å; L171-L174 PolarHBondContact O-N 3.41Å; L172-L174 PolarHBondContact O-N 3.42Å; L174-P177 VanDerWaalsContact O-CD 3.32Å; L174-P177 WeakPolarHBondContact O-CD 3.34Å; L174-W186 HydrophobicContact CD1-CD2 4.46Å; L174-W186 HydrophobicContact CD1-CE3 4.01Å; L174-W186 HydrophobicContact CD2-CD2 4.4Å; L174-W186 HydrophobicContact CD2-CE3 3.54Å; L174-W186 HydrophobicContact CD2-CH2 4.01Å; L174-W186 HydrophobicContact CD2-CZ3 3.3Å; L174-W186 HydrophobicContact CG-CD2 3.93Å; L174-W186 HydrophobicContact CG-CE3 3.51Å; L174-W186 HydrophobicContact CG-CH2 4.41Å; L174-W186 HydrophobicContact CG-CZ3 3.78Å; L174-F207 HydrophobicContact CB-CE1 4.39Å; L174-F207 HydrophobicContact CB-CZ 4.42Å; L174-F207 HydrophobicContact CD2-CD1 4.3Å; L174-F207 HydrophobicContact CD2-CE1 3.72Å; L174-F207 HydrophobicContact CD2-CZ 4.03Å; L174-F210 HydrophobicContact CD1-CD1 4Å; L174-F210 HydrophobicContact CD1-CE1 3.23Å; L174-F210 HydrophobicContact CD1-CZ 3.63Å; L174-F210 HydrophobicContact CD2-CD1 3.72Å; L174-F210 HydrophobicContact CD2-CE1 3.85Å; L174-F210 HydrophobicContact CD2-CG 4.32Å; L174-F210 HydrophobicContact CG-CE1 4.15Å
175	I	82	Confident	80.8	Confident	12 Å²	12	64.5 Å²	64.5	6%	0.062	30%	0.3	C	S	.	.	H	α-helix	trans	-71.7	-38.4	177.2	-69.5	175.3	0	0	0	111.5	D159 L163 L171 L172 P177 W186	D159-I175 HydrophobicContact CB-CD1 4.04Å; D159-I175 HydrophobicContact CB-CG2 3.96Å; D159-I175 WeakPolarHBondContact OD1-CG1 3.21Å; L163-I175 HydrophobicContact CD1-CD1 3.97Å; L163-I175 HydrophobicContact CD2-CD1 3.7Å; L163-I175 HydrophobicContact CG-CD1 3.51Å; L171-I175 HydrophobicContact CD1-CD1 3.96Å; L171-I175 HydrophobicContact CD1-CG1 4.13Å; L171-I175 HydrophobicContact CD2-CD1 4.23Å; L171-I175 HydrophobicContact CG-CD1 3.7Å; L171-I175 HydrophobicContact CG-CG1 4.25Å; L171-I175 WeakPolarHBondContact O-CG1 3.41Å; L171-I175 PolarHBondContact O-N 3Å; L172-I175 PolarHBondContact O-N 3.12Å; I175-P177 WeakPolarHBondContact O-CD 3.29Å; I175-W186 HydrophobicContact CD1-CZ2 4.34Å; I175-W186 HydrophobicContact CG1-CZ2 3.63Å
176	Y	78	Confident	81.2	Confident	101 Å²	101	58.9 Å²	58.9	40%	0.396	28%	0.279	S	S	.	.	S	Bend	trans	-114.5	64.9	176.7	-57.2	-71.2	0	0	0	110.8	Y82 L172	Y82-Y176 HydrophobicContact CD2-CE2 4.22Å; Y82-Y176 HydrophobicContact CE2-CD2 4.31Å; Y82-Y176 AromaticContact CE2-CE2 3.47Å; Y82-Y176 HydrophobicContact CE2-CE2 3.47Å; Y82-Y176 VanDerWaalsContact CE2-CE2 3.47Å; Y82-Y176 AromaticContact CE2-CZ 3.75Å; Y82-Y176 AromaticContact CZ-CE2 3.95Å; Y82-Y176 PolarHBondContact OH-OH 2.77Å; L172-Y176 HydrophobicContact CD2-CD2 4.06Å; L172-Y176 HydrophobicContact CD2-CE2 3.9Å; L172-Y176 PolarHBondContact O-N 3.45Å
177	P	75.2	Confident	81.5	Confident	9 Å²	9	59.2 Å²	59.2	6%	0.058	29%	0.288	C	S	.	.			trans	-78.8	154.2	-173.5	33.7	-33.3	0	0	0	111.4	N173 L174 I175 E182 R183	N173-P177 VanDerWaalsContact O-CA 3.29Å; N173-P177 WeakPolarHBondContact O-CA 3.44Å; L174-P177 VanDerWaalsContact O-CD 3.32Å; L174-P177 WeakPolarHBondContact O-CD 3.34Å; I175-P177 WeakPolarHBondContact O-CD 3.29Å; P177-E182 HydrophobicContact CB-CB 3.44Å; P177-E182 VanDerWaalsContact CB-CB 3.44Å; P177-E182 HydrophobicContact CB-CG 4.4Å; P177-E182 HydrophobicContact CG-CB 3.79Å; P177-R183 HydrophobicContact CG-CB 4.13Å; P177-R183 HydrophobicContact CG-CG 3.46Å; P177-R183 VanDerWaalsContact CG-CG 3.46Å; P177-R183 PolarHBondContact O-NH1 3.33Å; P177-R183 VanDerWaalsContact O-NH1 3.17Å
178	K	72.6	Confident	82.1	Confident	192 Å²	192	61 Å²	61	84%	0.835	30%	0.295	S	S	*	.	S	Bend	trans	-71.3	-35.8	-171.4	-63.5	-175.4	178.4	-174.7	0	112	R183	K178-R183 PolarHBondContact O-NH1 2.8Å
179	T	80.4	Confident	82.9	Confident	65 Å²	65	60.8 Å²	60.8	40%	0.399	29%	0.294	S	S	.	.	S	Bend	trans	-100.4	151.8	-174.5	69.3	0	0	0	0	112.6	E181 E182 R183	T179-E181 VanDerWaalsContact C-N 3.25Å; T179-E181 PolarHBondContact O-N 3.31Å; T179-E182 PolarHBondContact N-OE2 3.16Å; T179-E182 VanDerWaalsContact N-OE2 3.16Å; T179-E182 PolarHBondContact O-N 3.41Å; T179-E182 WeakPolarHBondContact OG1-CB 3.5Å; T179-E182 WeakPolarHBondContact OG1-CG 3.43Å; T179-E182 PolarHBondContact OG1-N 3.18Å; T179-E182 PolarHBondContact OG1-OE2 2.67Å; T179-R183 PolarHBondContact O-N 3.42Å; T179-R183 VanDerWaalsContact O-N 3.13Å; T179-R183 PolarHBondContact O-NH1 3.49Å
180	A	80.5	Confident	83.6	Confident	67 Å²	67	62.2 Å²	62.2	55%	0.554	30%	0.3	S	S	*	.	H	α-helix	trans	-62.4	-34.3	175.6	0	0	0	0	0	112.5	R183 K184	A180-R183 PolarHBondContact O-N 3.26Å; A180-K184 PolarHBondContact O-N 2.98Å
181	E	79.8	Confident	84.1	Confident	126 Å²	126	61.1 Å²	61.1	59%	0.589	30%	0.302	S	S	*	.	H	α-helix	trans	-65.4	-47.1	177.8	-174	61.4	-161.6	0	0	111.6	T179 R183 K184 V185	T179-E181 VanDerWaalsContact C-N 3.25Å; T179-E181 PolarHBondContact O-N 3.31Å; E181-R183 VanDerWaalsContact C-N 3.3Å; E181-R183 PolarHBondContact O-N 2.97Å; E181-K184 PolarHBondContact O-N 3.14Å; E181-V185 WeakPolarHBondContact O-CG2 3.38Å; E181-V185 PolarHBondContact O-N 3.07Å
182	E	80.6	Confident	84.6	Confident	95 Å²	95	61.1 Å²	61.1	44%	0.444	30%	0.302	S	S	.	.	H	α-helix	trans	-62.6	-37.7	176.2	-70.8	163.5	149.2	0	0	111.8	P177 T179 V185 W186	P177-E182 HydrophobicContact CB-CB 3.44Å; P177-E182 VanDerWaalsContact CB-CB 3.44Å; P177-E182 HydrophobicContact CB-CG 4.4Å; P177-E182 HydrophobicContact CG-CB 3.79Å; T179-E182 PolarHBondContact N-OE2 3.16Å; T179-E182 VanDerWaalsContact N-OE2 3.16Å; T179-E182 PolarHBondContact O-N 3.41Å; T179-E182 WeakPolarHBondContact OG1-CB 3.5Å; T179-E182 WeakPolarHBondContact OG1-CG 3.43Å; T179-E182 PolarHBondContact OG1-N 3.18Å; T179-E182 PolarHBondContact OG1-OE2 2.67Å; E182-V185 PolarHBondContact O-N 3.29Å; E182-W186 WeakPolarHBondContact O-CB 3.21Å; E182-W186 PolarHBondContact O-N 2.85Å
183	R	83.2	Confident	85.2	Confident	129 Å²	129	61.2 Å²	61.2	49%	0.487	30%	0.303	S	S	.	.	H	α-helix	trans	-60.1	-46.3	174.3	-76.8	-166.6	-67.8	-82.6	7.6	111.5	P177 K178 T179 A180 E181 W186 A187	P177-R183 HydrophobicContact CG-CB 4.13Å; P177-R183 HydrophobicContact CG-CG 3.46Å; P177-R183 VanDerWaalsContact CG-CG 3.46Å; P177-R183 PolarHBondContact O-NH1 3.33Å; P177-R183 VanDerWaalsContact O-NH1 3.17Å; K178-R183 PolarHBondContact O-NH1 2.8Å; T179-R183 PolarHBondContact O-N 3.42Å; T179-R183 VanDerWaalsContact O-N 3.13Å; T179-R183 PolarHBondContact O-NH1 3.49Å; A180-R183 PolarHBondContact O-N 3.26Å; E181-R183 VanDerWaalsContact C-N 3.3Å; E181-R183 PolarHBondContact O-N 2.97Å; R183-W186 PolarHBondContact O-N 3.31Å; R183-A187 WeakPolarHBondContact O-CB 3.34Å; R183-A187 PolarHBondContact O-N 3.5Å
184	K	87.2	Confident	85.6	Confident	120 Å²	120	62 Å²	62	52%	0.522	31%	0.311	S	S	.	.	H	α-helix	trans	-61.1	-48.9	179.7	-172.8	-170.6	179.2	-151.2	0	111.2	A180 E181 W186 A187 E188	A180-K184 PolarHBondContact O-N 2.98Å; E181-K184 PolarHBondContact O-N 3.14Å; K184-W186 PolarHBondContact O-N 2.97Å; K184-A187 PolarHBondContact O-N 3.16Å; K184-E188 WeakPolarHBondContact CE-OE1 3.46Å; K184-E188 IonicContact NZ-OE1 2.61Å; K184-E188 WeakPolarHBondContact O-CG 3.23Å; K184-E188 PolarHBondContact O-N 3.17Å
185	V	87.5	Confident	86	Confident	23 Å²	23	65.7 Å²	65.7	14%	0.139	33%	0.327	C	S	.	.	H	α-helix	trans	-64.9	-39.3	-179	172	0	0	0	0	112	E181 E182 F189 F210 K214	E181-V185 WeakPolarHBondContact O-CG2 3.38Å; E181-V185 PolarHBondContact O-N 3.07Å; E182-V185 PolarHBondContact O-N 3.29Å; V185-F189 PolarHBondContact O-N 3.04Å; V185-F210 HydrophobicContact CG1-CE2 3.9Å; V185-F210 HydrophobicContact CG1-CZ 3.84Å; V185-K214 HydrophobicContact CG1-CD 3.76Å; V185-K214 HydrophobicContact CG1-CG 3.41Å; V185-K214 VanDerWaalsContact CG1-CG 3.41Å
186	W	90.7	Very high	86.3	Confident	5 Å²	5	67 Å²	67	2%	0.019	33%	0.333	C	S	.	.	H	α-helix	trans	-64.6	-43.4	173.4	179.7	-116.7	0	0	0	111.7	D159 L162 L171 L174 I175 E182 R183 K184 E188 F189 K190 F210	D159-W186 PolarHBondContact OD1-NE1 2.85Å; L162-W186 HydrophobicContact CD1-CH2 3.87Å; L162-W186 HydrophobicContact CD1-CZ2 3.8Å; L171-W186 HydrophobicContact CD1-CH2 4.05Å; L171-W186 HydrophobicContact CD1-CZ2 4.32Å; L174-W186 HydrophobicContact CD1-CD2 4.46Å; L174-W186 HydrophobicContact CD1-CE3 4.01Å; L174-W186 HydrophobicContact CD2-CD2 4.4Å; L174-W186 HydrophobicContact CD2-CE3 3.54Å; L174-W186 HydrophobicContact CD2-CH2 4.01Å; L174-W186 HydrophobicContact CD2-CZ3 3.3Å; L174-W186 HydrophobicContact CG-CD2 3.93Å; L174-W186 HydrophobicContact CG-CE3 3.51Å; L174-W186 HydrophobicContact CG-CH2 4.41Å; L174-W186 HydrophobicContact CG-CZ3 3.78Å; I175-W186 HydrophobicContact CD1-CZ2 4.34Å; I175-W186 HydrophobicContact CG1-CZ2 3.63Å; E182-W186 WeakPolarHBondContact O-CB 3.21Å; E182-W186 PolarHBondContact O-N 2.85Å; R183-W186 PolarHBondContact O-N 3.31Å; K184-W186 PolarHBondContact O-N 2.97Å; W186-E188 PolarHBondContact O-N 2.92Å; W186-F189 AromaticContact CE3-CD1 3.94Å; W186-F189 HydrophobicContact CE3-CD1 3.94Å; W186-F189 HydrophobicContact CH2-CD1 4.26Å; W186-F189 AromaticContact CZ3-CD1 3.51Å; W186-F189 HydrophobicContact CZ3-CD1 3.51Å; W186-F189 AromaticContact CZ3-CE1 3.97Å; W186-F189 HydrophobicContact CZ3-CE1 3.97Å; W186-F189 PolarHBondContact O-N 3.03Å; W186-K190 HydrophobicContact CD2-CG 4.33Å; W186-K190 HydrophobicContact CZ2-CD 4.44Å; W186-K190 HydrophobicContact CZ2-CG 4.15Å; W186-K190 WeakPolarHBondContact O-CG 3.03Å; W186-K190 PolarHBondContact O-N 2.69Å; W186-F210 HydrophobicContact CE3-CD2 4.14Å; W186-F210 AromaticContact CE3-CE2 3.89Å; W186-F210 HydrophobicContact CE3-CE2 3.89Å; W186-F210 HydrophobicContact CE3-CZ 4.13Å; W186-F210 HydrophobicContact CZ3-CD2 4.32Å; W186-F210 HydrophobicContact CZ3-CG 4.48Å
187	A	90.2	Very high	86.7	Confident	39 Å²	39	65.4 Å²	65.4	32%	0.322	35%	0.347	S	S	.	.	H	α-helix	trans	-60.7	-43.4	176	0	0	0	0	0	112.4	R183 K184 F189 K190 N191	R183-A187 WeakPolarHBondContact O-CB 3.34Å; R183-A187 PolarHBondContact O-N 3.5Å; K184-A187 PolarHBondContact O-N 3.16Å; A187-F189 VanDerWaalsContact C-N 3.31Å; A187-F189 PolarHBondContact O-N 2.81Å; A187-K190 PolarHBondContact O-N 2.61Å; A187-N191 PolarHBondContact O-N 3.39Å
188	E	92.4	Very high	87.3	Confident	59 Å²	59	68.4 Å²	68.4	28%	0.276	36%	0.358	S	S	.	.	H	α-helix	trans	-59.3	-41.3	173.8	-73.6	173.9	-170.5	0	0	111.8	K184 W186 N191 F192 F213	K184-E188 WeakPolarHBondContact CE-OE1 3.46Å; K184-E188 IonicContact NZ-OE1 2.61Å; K184-E188 WeakPolarHBondContact O-CG 3.23Å; K184-E188 PolarHBondContact O-N 3.17Å; W186-E188 PolarHBondContact O-N 2.92Å; E188-N191 PolarHBondContact O-N 3.45Å; E188-F192 PolarHBondContact O-N 2.82Å; E188-F213 HydrophobicContact CB-CE1 4.11Å; E188-F213 HydrophobicContact CB-CZ 4.34Å
189	F	94.4	Very high	88	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-67.8	-41.7	176.8	-174.7	-119.2	0	0	0	112.5	V185 W186 A187 N191 F192 L193 Y200 L206 R209 F210 F213	V185-F189 PolarHBondContact O-N 3.04Å; W186-F189 AromaticContact CE3-CD1 3.94Å; W186-F189 HydrophobicContact CE3-CD1 3.94Å; W186-F189 HydrophobicContact CH2-CD1 4.26Å; W186-F189 AromaticContact CZ3-CD1 3.51Å; W186-F189 HydrophobicContact CZ3-CD1 3.51Å; W186-F189 AromaticContact CZ3-CE1 3.97Å; W186-F189 HydrophobicContact CZ3-CE1 3.97Å; W186-F189 PolarHBondContact O-N 3.03Å; A187-F189 VanDerWaalsContact C-N 3.31Å; A187-F189 PolarHBondContact O-N 2.81Å; F189-N191 VanDerWaalsContact C-N 3.3Å; F189-N191 PolarHBondContact O-N 3.26Å; F189-F192 AromaticContact CD2-CD1 3.81Å; F189-F192 HydrophobicContact CD2-CD1 3.81Å; F189-F192 HydrophobicContact CD2-CE1 4.44Å; F189-F192 AromaticContact CE2-CD1 3.84Å; F189-F192 HydrophobicContact CE2-CD1 3.84Å; F189-F192 HydrophobicContact CE2-CE1 4.03Å; F189-F192 WeakPolarHBondContact O-CB 3.49Å; F189-F192 PolarHBondContact O-N 2.79Å; F189-F192 VanDerWaalsContact O-N 3.16Å; F189-L193 HydrophobicContact CD1-CD1 4.05Å; F189-L193 HydrophobicContact CD1-CG 4.26Å; F189-L193 HydrophobicContact CE1-CD1 3.79Å; F189-L193 HydrophobicContact CE1-CD2 4.11Å; F189-L193 HydrophobicContact CE1-CG 4.1Å; F189-L193 HydrophobicContact CE2-CD2 4.09Å; F189-L193 HydrophobicContact CZ-CD1 4.35Å; F189-L193 HydrophobicContact CZ-CD2 3.81Å; F189-L193 HydrophobicContact CZ-CG 4.26Å; F189-L193 WeakPolarHBondContact O-CG 3.42Å; F189-L193 PolarHBondContact O-N 2.65Å; F189-Y200 HydrophobicContact CZ-CE2 4.02Å; F189-L206 HydrophobicContact CE1-CD1 3.79Å; F189-L206 HydrophobicContact CZ-CD1 4.27Å; F189-R209 HydrophobicContact CZ-CB 4.41Å; F189-F210 HydrophobicContact CB-CD2 3.7Å; F189-F210 HydrophobicContact CB-CE2 3.76Å; F189-F210 HydrophobicContact CD1-CB 4.2Å; F189-F210 AromaticContact CD1-CD2 3.48Å; F189-F210 HydrophobicContact CD1-CD2 3.48Å; F189-F210 VanDerWaalsContact CD1-CD2 3.48Å; F189-F210 HydrophobicContact CD1-CE2 4.23Å; F189-F210 HydrophobicContact CD1-CG 4.18Å; F189-F210 HydrophobicContact CD2-CD2 4Å; F189-F210 HydrophobicContact CE1-CB 3.78Å; F189-F210 AromaticContact CE1-CD2 3.97Å; F189-F210 HydrophobicContact CE1-CD2 3.97Å; F189-F210 HydrophobicContact CE1-CG 4.26Å; F189-F210 HydrophobicContact CE2-CB 4.39Å; F189-F210 HydrophobicContact CE2-CD2 4.45Å; F189-F210 AromaticContact CG-CD2 3.47Å; F189-F210 HydrophobicContact CG-CD2 3.47Å; F189-F210 VanDerWaalsContact CG-CD2 3.47Å; F189-F210 HydrophobicContact CG-CE2 4.07Å; F189-F210 HydrophobicContact CG-CG 4.48Å; F189-F210 HydrophobicContact CZ-CB 3.87Å; F189-F210 HydrophobicContact CZ-CD2 4.42Å; F189-F213 HydrophobicContact CB-CD1 3.92Å; F189-F213 HydrophobicContact CB-CE1 3.92Å; F189-F213 HydrophobicContact CD2-CB 3.7Å; F189-F213 AromaticContact CD2-CD1 3.67Å; F189-F213 HydrophobicContact CD2-CD1 3.67Å; F189-F213 AromaticContact CD2-CD2 3.85Å; F189-F213 HydrophobicContact CD2-CD2 3.85Å; F189-F213 HydrophobicContact CD2-CE1 4.23Å; F189-F213 HydrophobicContact CD2-CE2 4.39Å; F189-F213 AromaticContact CD2-CG 3.46Å; F189-F213 HydrophobicContact CD2-CG 3.46Å; F189-F213 VanDerWaalsContact CD2-CG 3.46Å; F189-F213 HydrophobicContact CE2-CB 3.85Å; F189-F213 HydrophobicContact CE2-CD2 4.38Å; F189-F213 HydrophobicContact CE2-CG 4.07Å; F189-F213 HydrophobicContact CG-CD1 4.23Å; F189-F213 HydrophobicContact CG-CG 4.43Å
190	K	91.9	Very high	88.4	Confident	41 Å²	41	62.7 Å²	62.7	18%	0.178	32%	0.324	C	S	.	.	H	α-helix	trans	-57.9	-44.1	173.8	-72.4	-165.2	-61	174.4	0	111.8	L158 D159 W186 A187 F192 L193 T194	L158-K190 HydrophobicContact CD2-CB 4.08Å; L158-K190 HydrophobicContact CD2-CG 4.2Å; D159-K190 VanDerWaalsContact OD1-CD 3.28Å; D159-K190 WeakPolarHBondContact OD1-CD 3.13Å; D159-K190 WeakPolarHBondContact OD2-CD 3.47Å; D159-K190 IonicContact OD2-NZ 3.9Å; D159-K190 PolarHBondContact OD2-NZ 2.83Å; W186-K190 HydrophobicContact CD2-CG 4.33Å; W186-K190 HydrophobicContact CZ2-CD 4.44Å; W186-K190 HydrophobicContact CZ2-CG 4.15Å; W186-K190 WeakPolarHBondContact O-CG 3.03Å; W186-K190 PolarHBondContact O-N 2.69Å; A187-K190 PolarHBondContact O-N 2.61Å; K190-F192 VanDerWaalsContact C-N 3.32Å; K190-F192 PolarHBondContact O-N 3.46Å; K190-L193 PolarHBondContact O-N 2.74Å; K190-T194 PolarHBondContact O-N 3.22Å; K190-T194 PolarHBondContact O-OG1 2.84Å; K190-T194 VanDerWaalsContact O-OG1 3.12Å
191	N	92.4	Very high	88.4	Confident	88 Å²	88	65.3 Å²	65.3	47%	0.471	33%	0.328	S	S	.	.	H	α-helix	trans	-61.2	-43.7	176.3	-70	-6.7	0	0	0	111	A187 E188 F189 L193 T194 E195	A187-N191 PolarHBondContact O-N 3.39Å; E188-N191 PolarHBondContact O-N 3.45Å; F189-N191 VanDerWaalsContact C-N 3.3Å; F189-N191 PolarHBondContact O-N 3.26Å; N191-L193 PolarHBondContact O-N 2.91Å; N191-T194 PolarHBondContact O-N 2.81Å; N191-E195 WeakPolarHBondContact O-CB 3.24Å; N191-E195 PolarHBondContact O-N 2.96Å
192	F	94.9	Very high	88.7	Confident	1 Å²	1	62.9 Å²	62.9	0%	0.004	32%	0.322	C	S	.	.	H	α-helix	trans	-58.6	-42.8	173.2	160.8	-91.5	0	0	0	112.8	E188 F189 K190 H196 R198 F213 T236 D240	E188-F192 PolarHBondContact O-N 2.82Å; F189-F192 AromaticContact CD2-CD1 3.81Å; F189-F192 HydrophobicContact CD2-CD1 3.81Å; F189-F192 HydrophobicContact CD2-CE1 4.44Å; F189-F192 AromaticContact CE2-CD1 3.84Å; F189-F192 HydrophobicContact CE2-CD1 3.84Å; F189-F192 HydrophobicContact CE2-CE1 4.03Å; F189-F192 WeakPolarHBondContact O-CB 3.49Å; F189-F192 PolarHBondContact O-N 2.79Å; F189-F192 VanDerWaalsContact O-N 3.16Å; K190-F192 VanDerWaalsContact C-N 3.32Å; K190-F192 PolarHBondContact O-N 3.46Å; F192-H196 AromaticContact CD2-CD2 3.44Å; F192-H196 VanDerWaalsContact CD2-CD2 3.44Å; F192-H196 WeakPolarHBondContact CD2-CD2 3.36Å; F192-H196 AromaticContact CE2-CD2 3.66Å; F192-H196 PolarHBondContact O-N 2.82Å; F192-H196 VanDerWaalsContact O-N 3.16Å; F192-R198 HydrophobicContact CE1-CB 4.35Å; F192-R198 HydrophobicContact CE1-CG 3.85Å; F192-R198 HydrophobicContact CZ-CG 3.81Å; F192-F213 HydrophobicContact CB-CD2 4.33Å; F192-F213 HydrophobicContact CB-CE2 3.51Å; F192-F213 HydrophobicContact CB-CZ 3.9Å; F192-F213 HydrophobicContact CD1-CD2 4.04Å; F192-F213 HydrophobicContact CD1-CE2 4.07Å; F192-F213 HydrophobicContact CD2-CD2 4.21Å; F192-F213 AromaticContact CD2-CE2 3.8Å; F192-F213 HydrophobicContact CD2-CE2 3.8Å; F192-F213 HydrophobicContact CE1-CD2 4.48Å; F192-F213 AromaticContact CG-CD2 3.91Å; F192-F213 HydrophobicContact CG-CD2 3.91Å; F192-F213 AromaticContact CG-CE2 3.5Å; F192-F213 HydrophobicContact CG-CE2 3.5Å; F192-F213 HydrophobicContact CG-CZ 4.36Å; F192-T236 WeakPolarHBondContact CE2-O 3.27Å; F192-D240 HydrophobicContact CE1-CB 3.77Å; F192-D240 HydrophobicContact CZ-CB 3.61Å
193	L	93.1	Very high	89.1	Confident	6 Å²	6	60.4 Å²	60.4	3%	0.031	31%	0.311	C	S	.	.	H	α-helix	trans	-62.1	-45.7	177.9	-64.8	-178.4	0	0	0	111.4	L158 F189 K190 N191 G197 R198 Y200 L206	L158-L193 HydrophobicContact CD2-CB 3.98Å; L158-L193 HydrophobicContact CD2-CD1 4.11Å; F189-L193 HydrophobicContact CD1-CD1 4.05Å; F189-L193 HydrophobicContact CD1-CG 4.26Å; F189-L193 HydrophobicContact CE1-CD1 3.79Å; F189-L193 HydrophobicContact CE1-CD2 4.11Å; F189-L193 HydrophobicContact CE1-CG 4.1Å; F189-L193 HydrophobicContact CE2-CD2 4.09Å; F189-L193 HydrophobicContact CZ-CD1 4.35Å; F189-L193 HydrophobicContact CZ-CD2 3.81Å; F189-L193 HydrophobicContact CZ-CG 4.26Å; F189-L193 WeakPolarHBondContact O-CG 3.42Å; F189-L193 PolarHBondContact O-N 2.65Å; K190-L193 PolarHBondContact O-N 2.74Å; N191-L193 PolarHBondContact O-N 2.91Å; L193-G197 CarbonylContact O-C 3.49Å; L193-G197 WeakPolarHBondContact O-CA 3.44Å; L193-G197 PolarHBondContact O-N 2.57Å; L193-R198 HydrophobicContact CD2-CB 3.62Å; L193-R198 PolarHBondContact O-N 2.69Å; L193-Y200 HydrophobicContact CD2-CD2 4.48Å; L193-Y200 HydrophobicContact CD2-CE2 3.65Å; L193-L206 HydrophobicContact CD1-CD1 4.19Å
194	T	89.6	Confident	89.4	Confident	101 Å²	101	57.8 Å²	57.8	62%	0.62	32%	0.317	S	S	*	.	H	α-helix	trans	-68	-50.7	179.5	-56.7	0	0	0	0	111.7	K190 N191 H196 G197	K190-T194 PolarHBondContact O-N 3.22Å; K190-T194 PolarHBondContact O-OG1 2.84Å; K190-T194 VanDerWaalsContact O-OG1 3.12Å; N191-T194 PolarHBondContact O-N 2.81Å; T194-H196 VanDerWaalsContact C-N 3.28Å; T194-H196 PolarHBondContact O-N 3.39Å; T194-G197 PolarHBondContact O-N 3.15Å
195	E	89.4	Confident	89.6	Confident	101 Å²	101	54.7 Å²	54.7	47%	0.472	30%	0.304	S	S	.	.	H	α-helix	trans	-60.1	-36.8	-176.2	-175.7	-179.3	169.3	0	0	112.3	N191 R415	N191-E195 WeakPolarHBondContact O-CB 3.24Å; N191-E195 PolarHBondContact O-N 2.96Å; E195-R415 IonicContact OE1-CZ 3.26Å; E195-R415 VanDerWaalsContact OE1-CZ 3.26Å; E195-R415 IonicContact OE1-NH1 3.29Å; E195-R415 PolarHBondContact OE1-NH1 2.9Å; E195-R415 IonicContact OE1-NH2 2.75Å; E195-R415 PolarHBondContact OE1-NH2 3.48Å; E195-R415 IonicContact OE2-NH1 3.59Å
196	H	88.5	Confident	89.8	Confident	38 Å²	38	53.7 Å²	53.7	18%	0.176	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.2	11.5	-176.4	-59	-51.6	0	0	0	113.9	F192 T194 R198 K237	F192-H196 AromaticContact CD2-CD2 3.44Å; F192-H196 VanDerWaalsContact CD2-CD2 3.44Å; F192-H196 WeakPolarHBondContact CD2-CD2 3.36Å; F192-H196 AromaticContact CE2-CD2 3.66Å; F192-H196 PolarHBondContact O-N 2.82Å; F192-H196 VanDerWaalsContact O-N 3.16Å; T194-H196 VanDerWaalsContact C-N 3.28Å; T194-H196 PolarHBondContact O-N 3.39Å; H196-R198 HydrophobicContact CB-CG 4.09Å; H196-R198 PolarHBondContact O-N 3.09Å; H196-K237 HydrophobicContact CB-CB 4.31Å; H196-K237 PolarHBondContact CE1-N 2.76Å; H196-K237 PolarHBondContact NE2-N 2.7Å
197	G	86.8	Confident	89.9	Confident	68 Å²	68	54.5 Å²	54.5	70%	0.701	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.6	37.2	178.7	0	0	0	0	0	113.3	L193 T194	L193-G197 CarbonylContact O-C 3.49Å; L193-G197 WeakPolarHBondContact O-CA 3.44Å; L193-G197 PolarHBondContact O-N 2.57Å; T194-G197 PolarHBondContact O-N 3.15Å
198	R	87.8	Confident	90	Very high	72 Å²	72	57 Å²	57	27%	0.272	31%	0.305	S	S	.	.			trans	-83.5	132.5	-177.8	-64.2	-65.2	-167.1	-172.2	3.3	110.8	F192 L193 H196 K237 D240	F192-R198 HydrophobicContact CE1-CB 4.35Å; F192-R198 HydrophobicContact CE1-CG 3.85Å; F192-R198 HydrophobicContact CZ-CG 3.81Å; L193-R198 HydrophobicContact CD2-CB 3.62Å; L193-R198 PolarHBondContact O-N 2.69Å; H196-R198 HydrophobicContact CB-CG 4.09Å; H196-R198 PolarHBondContact O-N 3.09Å; R198-K237 PolarHBondContact NH2-O 2.86Å; R198-D240 IonicContact NE-OD2 3.52Å
199	W	86.7	Confident	90.1	Very high	115 Å²	115	55.3 Å²	55.3	44%	0.436	30%	0.296	S	S	.	.			trans	-139.5	142	172.2	-172.4	-94.6	0	0	0	109.4	L158 K161 L162 R165	L158-W199 HydrophobicContact CD1-CZ3 4.17Å; K161-W199 HydrophobicContact CB-CH2 4.13Å; K161-W199 HydrophobicContact CB-CZ3 4.3Å; L162-W199 HydrophobicContact CD2-CH2 4.33Å; L162-W199 HydrophobicContact CD2-CZ3 4.19Å; R165-W199 HydrophobicContact CB-CH2 4.44Å; R165-W199 HydrophobicContact CB-CZ2 4.17Å; R165-W199 HydrophobicContact CG-CZ2 3.95Å
200	Y	88.3	Confident	90.1	Very high	22 Å²	22	55.7 Å²	55.7	9%	0.086	30%	0.298	C	S	.	.			trans	-120.8	137.2	178.6	-52	-69.9	0	0	0	110.2	F166 F189 L193 T202 E205 L206 R209 D240	F166-Y200 WeakPolarHBondContact CZ-O 3.5Å; F189-Y200 HydrophobicContact CZ-CE2 4.02Å; L193-Y200 HydrophobicContact CD2-CD2 4.48Å; L193-Y200 HydrophobicContact CD2-CE2 3.65Å; Y200-T202 VanDerWaalsContact C-N 3.31Å; Y200-T202 PolarHBondContact O-N 3Å; Y200-E205 HydrophobicContact CD1-CG 3.92Å; Y200-E205 HydrophobicContact CG-CG 4.24Å; Y200-L206 HydrophobicContact CD2-CB 4.13Å; Y200-L206 HydrophobicContact CD2-CD1 3.62Å; Y200-L206 HydrophobicContact CD2-CG 4.48Å; Y200-L206 HydrophobicContact CE2-CD1 4.11Å; Y200-R209 HydrophobicContact CD1-CG 3.88Å; Y200-R209 HydrophobicContact CD2-CB 4.38Å; Y200-R209 HydrophobicContact CD2-CG 4.47Å; Y200-R209 HydrophobicContact CE1-CB 3.97Å; Y200-R209 HydrophobicContact CE1-CG 3.4Å; Y200-R209 VanDerWaalsContact CE1-CG 3.4Å; Y200-R209 HydrophobicContact CE2-CB 3.69Å; Y200-R209 HydrophobicContact CE2-CG 4.03Å; Y200-R209 HydrophobicContact CG-CG 4.39Å; Y200-R209 VanDerWaalsContact CZ-CB 3.46Å; Y200-R209 VanDerWaalsContact CZ-CG 3.48Å; Y200-R209 WeakPolarHBondContact OH-CB 3.23Å; Y200-D240 WeakPolarHBondContact OH-CB 3.31Å; Y200-D240 VanDerWaalsContact OH-CG 3.28Å; Y200-D240 PolarHBondContact OH-OD2 3.47Å
201	D	80.3	Confident	90.1	Very high	122 Å²	122	56.4 Å²	56.4	65%	0.652	30%	0.304	S	S	*	.	S	Bend	trans	-71.4	-26.8	-171.4	-67.6	-37.7	0	0	0	114
202	T	87.8	Confident	90	Very high	75 Å²	75	52.7 Å²	52.7	46%	0.46	28%	0.284	S	S	.	.	S	Bend	trans	-127.4	149.8	-174.7	72.4	0	0	0	0	111.6	Y200 A204 E205 L206	Y200-T202 VanDerWaalsContact C-N 3.31Å; Y200-T202 PolarHBondContact O-N 3Å; T202-A204 PolarHBondContact O-N 3.46Å; T202-E205 PolarHBondContact O-N 3.17Å; T202-E205 WeakPolarHBondContact OG1-CB 3.38Å; T202-E205 PolarHBondContact OG1-N 3.02Å; T202-L206 PolarHBondContact O-N 2.85Å; T202-L206 VanDerWaalsContact O-N 3.09Å
203	E	89	Confident	90	Very high	44 Å²	44	52.7 Å²	52.7	21%	0.206	28%	0.284	C	S	.	.	H	α-helix	trans	-58.4	-41.7	174.5	-177.6	-175.2	-170.5	0	0	110.5	F166 S168 E205 L206 F207	F166-E203 HydrophobicContact CB-CB 4.29Å; F166-E203 HydrophobicContact CD1-CB 3.78Å; F166-E203 HydrophobicContact CE1-CB 4.29Å; F166-E203 HydrophobicContact CG-CB 3.99Å; S168-E203 VanDerWaalsContact CB-CD 3.49Å; S168-E203 WeakPolarHBondContact CB-OE1 3.49Å; S168-E203 VanDerWaalsContact OG-CD 3.29Å; S168-E203 PolarHBondContact OG-OE1 2.68Å; S168-E203 PolarHBondContact OG-OE2 3.12Å; E203-E205 VanDerWaalsContact C-N 3.3Å; E203-E205 PolarHBondContact O-N 3.42Å; E203-L206 PolarHBondContact O-N 3.06Å; E203-F207 HydrophobicContact CG-CD2 3.53Å; E203-F207 HydrophobicContact CG-CE2 3.53Å; E203-F207 VanDerWaalsContact O-CD2 3.29Å; E203-F207 WeakPolarHBondContact O-CD2 3.3Å; E203-F207 PolarHBondContact O-N 2.98Å; E203-F207 VanDerWaalsContact OE1-CE2 3.28Å; E203-F207 WeakPolarHBondContact OE1-CE2 3.41Å
204	A	89.2	Confident	89.9	Confident	74 Å²	74	55.5 Å²	55.5	61%	0.612	30%	0.296	S	S	*	.	H	α-helix	trans	-57.8	-42.8	179.8	0	0	0	0	0	112.3	T202 K208	T202-A204 PolarHBondContact O-N 3.46Å; A204-K208 WeakPolarHBondContact O-CB 2.98Å; A204-K208 PolarHBondContact O-N 3.05Å
205	E	91	Very high	89.8	Confident	55 Å²	55	51 Å²	51	26%	0.257	27%	0.268	S	S	.	.	H	α-helix	trans	-70.1	-42.9	177.5	-172.2	65.7	-178.5	0	0	111.7	Y200 T202 E203 F207 K208 R209	Y200-E205 HydrophobicContact CD1-CG 3.92Å; Y200-E205 HydrophobicContact CG-CG 4.24Å; T202-E205 PolarHBondContact O-N 3.17Å; T202-E205 WeakPolarHBondContact OG1-CB 3.38Å; T202-E205 PolarHBondContact OG1-N 3.02Å; E203-E205 VanDerWaalsContact C-N 3.3Å; E203-E205 PolarHBondContact O-N 3.42Å; E205-F207 VanDerWaalsContact C-N 3.31Å; E205-F207 PolarHBondContact O-N 3.25Å; E205-K208 PolarHBondContact O-N 3Å; E205-R209 HydrophobicContact CG-CG 4.11Å; E205-R209 WeakPolarHBondContact O-CB 3.34Å; E205-R209 WeakPolarHBondContact O-CG 3.46Å; E205-R209 PolarHBondContact O-N 3.44Å; E205-R209 IonicContact OE1-CZ 3.95Å; E205-R209 IonicContact OE1-NE 3.67Å; E205-R209 PolarHBondContact OE1-NE 3.28Å; E205-R209 IonicContact OE1-NH2 2.71Å; E205-R209 PolarHBondContact OE1-NH2 2.6Å
206	L	92.2	Very high	89.9	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-53.8	-48.6	174.1	177.1	74.8	0	0	0	111.3	L162 F166 L171 F189 L193 Y200 T202 E203 R209 F210	L162-L206 HydrophobicContact CD2-CD1 4.3Å; L162-L206 HydrophobicContact CD2-CD2 4.04Å; F166-L206 HydrophobicContact CD2-CD2 4.14Å; F166-L206 HydrophobicContact CE2-CD2 3.84Å; L171-L206 HydrophobicContact CD1-CD2 3.91Å; F189-L206 HydrophobicContact CE1-CD1 3.79Å; F189-L206 HydrophobicContact CZ-CD1 4.27Å; L193-L206 HydrophobicContact CD1-CD1 4.19Å; Y200-L206 HydrophobicContact CD2-CB 4.13Å; Y200-L206 HydrophobicContact CD2-CD1 3.62Å; Y200-L206 HydrophobicContact CD2-CG 4.48Å; Y200-L206 HydrophobicContact CE2-CD1 4.11Å; T202-L206 PolarHBondContact O-N 2.85Å; T202-L206 VanDerWaalsContact O-N 3.09Å; E203-L206 PolarHBondContact O-N 3.06Å; L206-R209 PolarHBondContact O-N 3.42Å; L206-F210 WeakPolarHBondContact O-CB 3.17Å; L206-F210 PolarHBondContact O-N 3.34Å
207	F	91.9	Very high	90.1	Very high	22 Å²	22	45.6 Å²	45.6	10%	0.096	24%	0.243	C	C	.	.	H	α-helix	trans	-67.3	-38.8	179.4	-86.8	-88.8	0	0	0	112.7	R170 L171 L174 E203 E205 F210 D211	R170-F207 HydrophobicContact CB-CE1 4.42Å; R170-F207 HydrophobicContact CB-CE2 4.28Å; R170-F207 HydrophobicContact CB-CZ 3.78Å; R170-F207 VanDerWaalsContact NH2-CG 3.28Å; L171-F207 HydrophobicContact CB-CE2 4.32Å; L171-F207 HydrophobicContact CB-CZ 4.38Å; L174-F207 HydrophobicContact CB-CE1 4.39Å; L174-F207 HydrophobicContact CB-CZ 4.42Å; L174-F207 HydrophobicContact CD2-CD1 4.3Å; L174-F207 HydrophobicContact CD2-CE1 3.72Å; L174-F207 HydrophobicContact CD2-CZ 4.03Å; E203-F207 HydrophobicContact CG-CD2 3.53Å; E203-F207 HydrophobicContact CG-CE2 3.53Å; E203-F207 VanDerWaalsContact O-CD2 3.29Å; E203-F207 WeakPolarHBondContact O-CD2 3.3Å; E203-F207 PolarHBondContact O-N 2.98Å; E203-F207 VanDerWaalsContact OE1-CE2 3.28Å; E203-F207 WeakPolarHBondContact OE1-CE2 3.41Å; E205-F207 VanDerWaalsContact C-N 3.31Å; E205-F207 PolarHBondContact O-N 3.25Å; F207-F210 PolarHBondContact O-N 3.18Å; F207-D211 PolarHBondContact O-N 2.98Å
208	K	92.2	Very high	90.1	Very high	93 Å²	93	45.7 Å²	45.7	40%	0.404	23%	0.225	S	C	.	.	H	α-helix	trans	-60	-47.8	174.2	179.1	-169.3	167.7	-158.5	0	110.6	A204 E205 D211 I212 E245	A204-K208 WeakPolarHBondContact O-CB 2.98Å; A204-K208 PolarHBondContact O-N 3.05Å; E205-K208 PolarHBondContact O-N 3Å; K208-D211 PolarHBondContact O-N 2.72Å; K208-I212 HydrophobicContact CG-CD1 4.08Å; K208-I212 WeakPolarHBondContact O-CG1 3.45Å; K208-I212 PolarHBondContact O-N 2.81Å; K208-E245 IonicContact NZ-OE1 3.09Å; K208-E245 PolarHBondContact NZ-OE1 2.87Å
209	R	95.3	Very high	89.9	Confident	23 Å²	23	42.5 Å²	42.5	9%	0.087	21%	0.213	C	C	.	.	H	α-helix	trans	-66.5	-39	-178.9	-65.1	-78.3	169.5	-146.5	-4.8	111.7	F189 Y200 E205 L206 I212 F213 D240 E245	F189-R209 HydrophobicContact CZ-CB 4.41Å; Y200-R209 HydrophobicContact CD1-CG 3.88Å; Y200-R209 HydrophobicContact CD2-CB 4.38Å; Y200-R209 HydrophobicContact CD2-CG 4.47Å; Y200-R209 HydrophobicContact CE1-CB 3.97Å; Y200-R209 HydrophobicContact CE1-CG 3.4Å; Y200-R209 VanDerWaalsContact CE1-CG 3.4Å; Y200-R209 HydrophobicContact CE2-CB 3.69Å; Y200-R209 HydrophobicContact CE2-CG 4.03Å; Y200-R209 HydrophobicContact CG-CG 4.39Å; Y200-R209 VanDerWaalsContact CZ-CB 3.46Å; Y200-R209 VanDerWaalsContact CZ-CG 3.48Å; Y200-R209 WeakPolarHBondContact OH-CB 3.23Å; E205-R209 HydrophobicContact CG-CG 4.11Å; E205-R209 WeakPolarHBondContact O-CB 3.34Å; E205-R209 WeakPolarHBondContact O-CG 3.46Å; E205-R209 PolarHBondContact O-N 3.44Å; E205-R209 IonicContact OE1-CZ 3.95Å; E205-R209 IonicContact OE1-NE 3.67Å; E205-R209 PolarHBondContact OE1-NE 3.28Å; E205-R209 IonicContact OE1-NH2 2.71Å; E205-R209 PolarHBondContact OE1-NH2 2.6Å; L206-R209 PolarHBondContact O-N 3.42Å; R209-I212 PolarHBondContact O-N 3.31Å; R209-F213 WeakPolarHBondContact O-CB 3.31Å; R209-F213 PolarHBondContact O-N 3.17Å; R209-D240 HydrophobicContact CB-CB 4.26Å; R209-D240 VanDerWaalsContact CD-O 3.3Å; R209-D240 WeakPolarHBondContact CD-O 2.92Å; R209-D240 PolarHBondContact NH1-O 2.92Å; R209-E245 IonicContact CZ-OE1 3.82Å; R209-E245 IonicContact CZ-OE2 2.8Å; R209-E245 VanDerWaalsContact NH1-CD 3.31Å; R209-E245 IonicContact NH1-OE1 3.88Å; R209-E245 PolarHBondContact NH1-OE1 3.17Å; R209-E245 IonicContact NH1-OE2 4Å; R209-E245 PolarHBondContact NH1-OE2 3.2Å; R209-E245 IonicContact NH2-OE1 2.79Å; R209-E245 PolarHBondContact NH2-OE1 3.33Å; R209-E245 IonicContact NH2-OE2 3.96Å
210	F	94.2	Very high	90.1	Very high	7 Å²	7	37.6 Å²	37.6	3%	0.031	20%	0.196	C	C	.	.	H	α-helix	trans	-62.5	-41.6	171.3	-179.7	-120.3	0	0	0	112.6	L174 V185 W186 F189 L206 F207 F213 K214	L174-F210 HydrophobicContact CD1-CD1 4Å; L174-F210 HydrophobicContact CD1-CE1 3.23Å; L174-F210 HydrophobicContact CD1-CZ 3.63Å; L174-F210 HydrophobicContact CD2-CD1 3.72Å; L174-F210 HydrophobicContact CD2-CE1 3.85Å; L174-F210 HydrophobicContact CD2-CG 4.32Å; L174-F210 HydrophobicContact CG-CE1 4.15Å; V185-F210 HydrophobicContact CG1-CE2 3.9Å; V185-F210 HydrophobicContact CG1-CZ 3.84Å; W186-F210 HydrophobicContact CE3-CD2 4.14Å; W186-F210 AromaticContact CE3-CE2 3.89Å; W186-F210 HydrophobicContact CE3-CE2 3.89Å; W186-F210 HydrophobicContact CE3-CZ 4.13Å; W186-F210 HydrophobicContact CZ3-CD2 4.32Å; W186-F210 HydrophobicContact CZ3-CG 4.48Å; F189-F210 HydrophobicContact CB-CD2 3.7Å; F189-F210 HydrophobicContact CB-CE2 3.76Å; F189-F210 HydrophobicContact CD1-CB 4.2Å; F189-F210 AromaticContact CD1-CD2 3.48Å; F189-F210 HydrophobicContact CD1-CD2 3.48Å; F189-F210 VanDerWaalsContact CD1-CD2 3.48Å; F189-F210 HydrophobicContact CD1-CE2 4.23Å; F189-F210 HydrophobicContact CD1-CG 4.18Å; F189-F210 HydrophobicContact CD2-CD2 4Å; F189-F210 HydrophobicContact CE1-CB 3.78Å; F189-F210 AromaticContact CE1-CD2 3.97Å; F189-F210 HydrophobicContact CE1-CD2 3.97Å; F189-F210 HydrophobicContact CE1-CG 4.26Å; F189-F210 HydrophobicContact CE2-CB 4.39Å; F189-F210 HydrophobicContact CE2-CD2 4.45Å; F189-F210 AromaticContact CG-CD2 3.47Å; F189-F210 HydrophobicContact CG-CD2 3.47Å; F189-F210 VanDerWaalsContact CG-CD2 3.47Å; F189-F210 HydrophobicContact CG-CE2 4.07Å; F189-F210 HydrophobicContact CG-CG 4.48Å; F189-F210 HydrophobicContact CZ-CB 3.87Å; F189-F210 HydrophobicContact CZ-CD2 4.42Å; L206-F210 WeakPolarHBondContact O-CB 3.17Å; L206-F210 PolarHBondContact O-N 3.34Å; F207-F210 PolarHBondContact O-N 3.18Å; F210-F213 PolarHBondContact O-N 2.72Å; F210-K214 HydrophobicContact CD1-CD 4.33Å; F210-K214 HydrophobicContact CD2-CG 4.49Å; F210-K214 HydrophobicContact CE1-CD 3.73Å; F210-K214 HydrophobicContact CE1-CG 4.41Å; F210-K214 HydrophobicContact CE2-CD 4.26Å; F210-K214 HydrophobicContact CE2-CG 4.11Å; F210-K214 HydrophobicContact CZ-CD 3.72Å; F210-K214 HydrophobicContact CZ-CG 4.07Å; F210-K214 WeakPolarHBondContact O-CG 3.22Å; F210-K214 PolarHBondContact O-N 3.31Å
211	D	90.9	Very high	90.1	Very high	56 Å²	56	42.7 Å²	42.7	30%	0.299	22%	0.218	S	C	.	.	H	α-helix	trans	-63.7	-39.4	175.5	-82.5	-17.2	0	0	0	112.4	F207 K208 K214 V215	F207-D211 PolarHBondContact O-N 2.98Å; K208-D211 PolarHBondContact O-N 2.72Å; D211-K214 WeakPolarHBondContact OD1-CE 3.49Å; D211-K214 IonicContact OD1-NZ 3.91Å; D211-K214 PolarHBondContact OD1-NZ 3.35Å; D211-V215 PolarHBondContact O-N 2.73Å
212	I	90.9	Very high	90.3	Very high	11 Å²	11	38.3 Å²	38.3	6%	0.056	19%	0.194	C	C	.	.	H	α-helix	trans	-66.7	-44.7	173.8	-65.7	164.4	0	0	0	110.8	K208 R209 K214 V215 N216 D240 L241 T242	K208-I212 HydrophobicContact CG-CD1 4.08Å; K208-I212 WeakPolarHBondContact O-CG1 3.45Å; K208-I212 PolarHBondContact O-N 2.81Å; R209-I212 PolarHBondContact O-N 3.31Å; I212-K214 VanDerWaalsContact C-N 3.33Å; I212-K214 PolarHBondContact O-N 2.66Å; I212-V215 WeakPolarHBondContact O-CB 3.29Å; I212-V215 PolarHBondContact O-N 2.93Å; I212-V215 VanDerWaalsContact O-N 3.07Å; I212-N216 PolarHBondContact O-N 2.96Å; I212-D240 WeakPolarHBondContact CG2-O 3.31Å; I212-L241 VanDerWaalsContact CG2-C 3.41Å; I212-L241 WeakPolarHBondContact CG2-O 3.34Å; I212-T242 HydrophobicContact CD1-CG2 3.66Å; I212-T242 HydrophobicContact CG1-CG2 4Å; I212-T242 HydrophobicContact CG2-CG2 4.39Å
213	F	94.7	Very high	90.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-57	-45.9	177.9	-179.1	-92.7	0	0	0	112.1	E188 F189 F192 R209 F210 V215 N216 M217 P235 S239	E188-F213 HydrophobicContact CB-CE1 4.11Å; E188-F213 HydrophobicContact CB-CZ 4.34Å; F189-F213 HydrophobicContact CB-CD1 3.92Å; F189-F213 HydrophobicContact CB-CE1 3.92Å; F189-F213 HydrophobicContact CD2-CB 3.7Å; F189-F213 AromaticContact CD2-CD1 3.67Å; F189-F213 HydrophobicContact CD2-CD1 3.67Å; F189-F213 AromaticContact CD2-CD2 3.85Å; F189-F213 HydrophobicContact CD2-CD2 3.85Å; F189-F213 HydrophobicContact CD2-CE1 4.23Å; F189-F213 HydrophobicContact CD2-CE2 4.39Å; F189-F213 AromaticContact CD2-CG 3.46Å; F189-F213 HydrophobicContact CD2-CG 3.46Å; F189-F213 VanDerWaalsContact CD2-CG 3.46Å; F189-F213 HydrophobicContact CE2-CB 3.85Å; F189-F213 HydrophobicContact CE2-CD2 4.38Å; F189-F213 HydrophobicContact CE2-CG 4.07Å; F189-F213 HydrophobicContact CG-CD1 4.23Å; F189-F213 HydrophobicContact CG-CG 4.43Å; F192-F213 HydrophobicContact CB-CD2 4.33Å; F192-F213 HydrophobicContact CB-CE2 3.51Å; F192-F213 HydrophobicContact CB-CZ 3.9Å; F192-F213 HydrophobicContact CD1-CD2 4.04Å; F192-F213 HydrophobicContact CD1-CE2 4.07Å; F192-F213 HydrophobicContact CD2-CD2 4.21Å; F192-F213 AromaticContact CD2-CE2 3.8Å; F192-F213 HydrophobicContact CD2-CE2 3.8Å; F192-F213 HydrophobicContact CE1-CD2 4.48Å; F192-F213 AromaticContact CG-CD2 3.91Å; F192-F213 HydrophobicContact CG-CD2 3.91Å; F192-F213 AromaticContact CG-CE2 3.5Å; F192-F213 HydrophobicContact CG-CE2 3.5Å; F192-F213 HydrophobicContact CG-CZ 4.36Å; R209-F213 WeakPolarHBondContact O-CB 3.31Å; R209-F213 PolarHBondContact O-N 3.17Å; F210-F213 PolarHBondContact O-N 2.72Å; F213-V215 VanDerWaalsContact C-N 3.26Å; F213-V215 PolarHBondContact O-N 2.68Å; F213-N216 PolarHBondContact O-N 2.91Å; F213-M217 HydrophobicContact CD1-CG 3.82Å; F213-M217 HydrophobicContact CD2-CE 4.2Å; F213-M217 HydrophobicContact CE1-CG 3.39Å; F213-M217 HydrophobicContact CE1-SD 4.12Å; F213-M217 HydrophobicContact CE2-CE 3.8Å; F213-M217 HydrophobicContact CE2-CG 4.23Å; F213-M217 HydrophobicContact CE2-SD 4.08Å; F213-M217 HydrophobicContact CG-CG 4.39Å; F213-M217 HydrophobicContact CZ-CE 4.05Å; F213-M217 HydrophobicContact CZ-CG 3.63Å; F213-M217 HydrophobicContact CZ-SD 3.69Å; F213-M217 WeakPolarHBondContact O-CG 3.48Å; F213-M217 PolarHBondContact O-N 2.94Å; F213-P235 HydrophobicContact CE2-CB 4.18Å; F213-P235 HydrophobicContact CZ-CB 4.38Å; F213-P235 HydrophobicContact CZ-CG 4.36Å; F213-S239 VanDerWaalsContact CA-O 3.28Å; F213-S239 WeakPolarHBondContact CA-O 3.34Å
214	K	91.7	Very high	90.3	Very high	66 Å²	66	36.4 Å²	36.4	29%	0.287	18%	0.18	S	C	.	.	H	α-helix	trans	-56.7	-39.5	175.2	-76.5	-174.4	-64.6	-174.6	0	113.4	V185 F210 D211 I212 K218	V185-K214 HydrophobicContact CG1-CD 3.76Å; V185-K214 HydrophobicContact CG1-CG 3.41Å; V185-K214 VanDerWaalsContact CG1-CG 3.41Å; F210-K214 HydrophobicContact CD1-CD 4.33Å; F210-K214 HydrophobicContact CD2-CG 4.49Å; F210-K214 HydrophobicContact CE1-CD 3.73Å; F210-K214 HydrophobicContact CE1-CG 4.41Å; F210-K214 HydrophobicContact CE2-CD 4.26Å; F210-K214 HydrophobicContact CE2-CG 4.11Å; F210-K214 HydrophobicContact CZ-CD 3.72Å; F210-K214 HydrophobicContact CZ-CG 4.07Å; F210-K214 WeakPolarHBondContact O-CG 3.22Å; F210-K214 PolarHBondContact O-N 3.31Å; D211-K214 WeakPolarHBondContact OD1-CE 3.49Å; D211-K214 IonicContact OD1-NZ 3.91Å; D211-K214 PolarHBondContact OD1-NZ 3.35Å; I212-K214 VanDerWaalsContact C-N 3.33Å; I212-K214 PolarHBondContact O-N 2.66Å; K214-K218 WeakPolarHBondContact O-CG 3.44Å; K214-K218 PolarHBondContact O-N 2.86Å
215	V	87.2	Confident	90.3	Very high	7 Å²	7	39.1 Å²	39.1	4%	0.042	18%	0.18	C	C	.	.	H	α-helix	trans	-67.2	-48.8	176.9	158	0	0	0	0	110.5	D211 I212 F213 M217 K218 T219 N534 V536 I539	D211-V215 PolarHBondContact O-N 2.73Å; I212-V215 WeakPolarHBondContact O-CB 3.29Å; I212-V215 PolarHBondContact O-N 2.93Å; I212-V215 VanDerWaalsContact O-N 3.07Å; F213-V215 VanDerWaalsContact C-N 3.26Å; F213-V215 PolarHBondContact O-N 2.68Å; V215-M217 VanDerWaalsContact C-N 3.29Å; V215-M217 PolarHBondContact O-N 2.97Å; V215-K218 WeakPolarHBondContact O-CB 3.35Å; V215-K218 PolarHBondContact O-N 3.37Å; V215-T219 PolarHBondContact O-N 3.02Å; V215-N534 VanDerWaalsContact CG1-OD1 3.31Å; V215-N534 WeakPolarHBondContact CG1-OD1 3.3Å; V215-V536 HydrophobicContact CB-CG2 4.35Å; V215-V536 HydrophobicContact CG2-CB 3.91Å; V215-V536 HydrophobicContact CG2-CG1 4.25Å; V215-V536 HydrophobicContact CG2-CG2 3.48Å; V215-V536 VanDerWaalsContact CG2-CG2 3.48Å; V215-I539 HydrophobicContact CB-CD1 3.67Å; V215-I539 HydrophobicContact CG1-CD1 3.27Å; V215-I539 HydrophobicContact CG2-CD1 3.53Å
216	N	90.6	Very high	89.7	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-60.7	-37.8	178	-73.7	-18.5	0	0	0	112	I212 F213 K218 T219 V220 S239 L241 F413 N534	I212-N216 PolarHBondContact O-N 2.96Å; F213-N216 PolarHBondContact O-N 2.91Å; N216-K218 PolarHBondContact O-N 3.46Å; N216-T219 CarbonylContact O-C 3.37Å; N216-T219 WeakPolarHBondContact O-CA 3.33Å; N216-T219 WeakPolarHBondContact O-CB 3.31Å; N216-T219 PolarHBondContact O-N 3.16Å; N216-V220 WeakPolarHBondContact O-CG2 3.21Å; N216-V220 PolarHBondContact O-N 2.94Å; N216-S239 WeakPolarHBondContact CB-O 3.47Å; N216-S239 PolarHBondContact ND2-O 3.23Å; N216-L241 PolarHBondContact ND2-O 2.68Å; N216-F413 HydrophobicContact CB-CE1 3.76Å; N216-F413 HydrophobicContact CB-CZ 3.79Å; N216-N534 PolarHBondContact OD1-ND2 2.59Å; N216-N534 PolarHBondContact OD1-OD1 3.13Å
217	M	92.5	Very high	89.4	Confident	24 Å²	24	40.5 Å²	40.5	12%	0.118	19%	0.188	C	C	.	.	H	α-helix	trans	-65.6	-26.3	177.1	-70.3	-49.1	96.9	0	0	113.2	F213 V215 V220 K221 P235	F213-M217 HydrophobicContact CD1-CG 3.82Å; F213-M217 HydrophobicContact CD2-CE 4.2Å; F213-M217 HydrophobicContact CE1-CG 3.39Å; F213-M217 HydrophobicContact CE1-SD 4.12Å; F213-M217 HydrophobicContact CE2-CE 3.8Å; F213-M217 HydrophobicContact CE2-CG 4.23Å; F213-M217 HydrophobicContact CE2-SD 4.08Å; F213-M217 HydrophobicContact CG-CG 4.39Å; F213-M217 HydrophobicContact CZ-CE 4.05Å; F213-M217 HydrophobicContact CZ-CG 3.63Å; F213-M217 HydrophobicContact CZ-SD 3.69Å; F213-M217 WeakPolarHBondContact O-CG 3.48Å; F213-M217 PolarHBondContact O-N 2.94Å; V215-M217 VanDerWaalsContact C-N 3.29Å; V215-M217 PolarHBondContact O-N 2.97Å; M217-V220 HydrophobicContact CE-CG2 3.72Å; M217-V220 HydrophobicContact SD-CG2 4.28Å; M217-K221 WeakPolarHBondContact O-CB 3.34Å; M217-K221 PolarHBondContact O-N 2.86Å; M217-P235 HydrophobicContact CE-CB 4.31Å; M217-P235 HydrophobicContact CE-CG 4.34Å; M217-P235 HydrophobicContact SD-CB 4.32Å; M217-P235 HydrophobicContact SD-CG 3.72Å
218	K	86.8	Confident	88.9	Confident	71 Å²	71	43.3 Å²	43.3	31%	0.309	20%	0.202	S	C	.	.	H	α-helix	trans	-71.4	-40.5	170.4	-66.3	171.5	-175.6	-176.7	0	111.4	K214 V215 N216 K221 M222 I539 E543	K214-K218 WeakPolarHBondContact O-CG 3.44Å; K214-K218 PolarHBondContact O-N 2.86Å; V215-K218 WeakPolarHBondContact O-CB 3.35Å; V215-K218 PolarHBondContact O-N 3.37Å; N216-K218 PolarHBondContact O-N 3.46Å; K218-K221 PolarHBondContact O-N 2.94Å; K218-M222 VanDerWaalsContact O-CB 3.32Å; K218-M222 WeakPolarHBondContact O-CB 3.42Å; K218-M222 PolarHBondContact O-N 2.87Å; K218-I539 HydrophobicContact CD-CD1 4.33Å; K218-I539 HydrophobicContact CD-CG2 3.64Å; K218-E543 WeakPolarHBondContact CD-OE1 3.49Å; K218-E543 WeakPolarHBondContact CE-OE1 3.41Å; K218-E543 IonicContact NZ-OE1 3.15Å; K218-E543 PolarHBondContact NZ-OE1 3.02Å; K218-E543 IonicContact NZ-OE2 2.87Å; K218-E543 PolarHBondContact NZ-OE2 2.97Å
219	T	84.3	Confident	88.3	Confident	4 Å²	4	40 Å²	40	3%	0.025	19%	0.194	C	C	.	.	H	α-helix	trans	-61.9	-43.9	172.8	-60.3	0	0	0	0	111.2	V215 N216 M222 L223 F409 F413 L531 N534	V215-T219 PolarHBondContact O-N 3.02Å; N216-T219 CarbonylContact O-C 3.37Å; N216-T219 WeakPolarHBondContact O-CA 3.33Å; N216-T219 WeakPolarHBondContact O-CB 3.31Å; N216-T219 PolarHBondContact O-N 3.16Å; T219-M222 WeakPolarHBondContact O-CB 3.49Å; T219-M222 PolarHBondContact O-N 2.86Å; T219-L223 HydrophobicContact CG2-CD1 4.23Å; T219-L223 HydrophobicContact CG2-CG 4.49Å; T219-L223 WeakPolarHBondContact O-CG 3.17Å; T219-L223 PolarHBondContact O-N 3.17Å; T219-F409 HydrophobicContact CG2-CZ 4.24Å; T219-F413 HydrophobicContact CG2-CD2 4.1Å; T219-F413 HydrophobicContact CG2-CE2 3.67Å; T219-L531 HydrophobicContact CG2-CD2 3.76Å; T219-N534 PolarHBondContact OG1-OD1 2.78Å
220	V	90.5	Very high	88.1	Confident	13 Å²	13	41.4 Å²	41.4	8%	0.079	21%	0.206	C	C	.	.	H	α-helix	trans	-56.9	-51.5	173.2	169.6	0	0	0	0	111.3	N216 M217 M222 L223 Q224 F413	N216-V220 WeakPolarHBondContact O-CG2 3.21Å; N216-V220 PolarHBondContact O-N 2.94Å; M217-V220 HydrophobicContact CE-CG2 3.72Å; M217-V220 HydrophobicContact SD-CG2 4.28Å; V220-M222 VanDerWaalsContact C-N 3.27Å; V220-M222 PolarHBondContact O-N 2.76Å; V220-L223 PolarHBondContact O-N 2.77Å; V220-Q224 WeakPolarHBondContact O-CB 3.23Å; V220-Q224 PolarHBondContact O-N 3.23Å; V220-F413 HydrophobicContact CG2-CB 3.83Å; V220-F413 HydrophobicContact CG2-CD1 3.65Å; V220-F413 HydrophobicContact CG2-CD2 4.29Å; V220-F413 HydrophobicContact CG2-CE1 4.33Å; V220-F413 HydrophobicContact CG2-CG 3.64Å
221	K	90	Very high	88.1	Confident	129 Å²	129	41.2 Å²	41.2	56%	0.561	21%	0.205	S	C	*	.	H	α-helix	trans	-56.8	-44.6	178.5	179.1	176.6	174.7	179.6	0	111.2	M217 K218 Q224 E225	M217-K221 WeakPolarHBondContact O-CB 3.34Å; M217-K221 PolarHBondContact O-N 2.86Å; K218-K221 PolarHBondContact O-N 2.94Å; K221-Q224 PolarHBondContact O-N 2.81Å; K221-E225 WeakPolarHBondContact CE-OE1 3.4Å; K221-E225 HydrophobicContact CG-CG 4.37Å; K221-E225 IonicContact NZ-OE1 3.17Å; K221-E225 WeakPolarHBondContact O-CB 3.3Å; K221-E225 VanDerWaalsContact O-CG 3.28Å; K221-E225 WeakPolarHBondContact O-CG 3.43Å; K221-E225 PolarHBondContact O-N 3.38Å
222	M	84	Confident	88.3	Confident	30 Å²	30	41.1 Å²	41.1	15%	0.148	21%	0.206	C	C	.	.	H	α-helix	trans	-64.8	-44.4	178	179.7	-171.4	-66.9	0	0	112.7	K218 T219 V220 Q224 N226 L527 L530 L531	K218-M222 VanDerWaalsContact O-CB 3.32Å; K218-M222 WeakPolarHBondContact O-CB 3.42Å; K218-M222 PolarHBondContact O-N 2.87Å; T219-M222 WeakPolarHBondContact O-CB 3.49Å; T219-M222 PolarHBondContact O-N 2.86Å; V220-M222 VanDerWaalsContact C-N 3.27Å; V220-M222 PolarHBondContact O-N 2.76Å; M222-Q224 VanDerWaalsContact C-N 3.3Å; M222-Q224 PolarHBondContact O-N 3.22Å; M222-N226 WeakPolarHBondContact O-CB 3.45Å; M222-N226 PolarHBondContact O-N 2.97Å; M222-N226 PolarHBondContact O-ND2 3.47Å; M222-L527 HydrophobicContact CE-CD1 3.39Å; M222-L527 HydrophobicContact CE-CG 3.8Å; M222-L527 HydrophobicContact CG-CD1 3.83Å; M222-L527 HydrophobicContact CG-CD2 4.09Å; M222-L527 HydrophobicContact CG-CG 4.18Å; M222-L527 HydrophobicContact SD-CD1 3.38Å; M222-L527 WeakPolarHBondContact SD-CD1 3.09Å; M222-L527 HydrophobicContact SD-CD2 3.62Å; M222-L527 HydrophobicContact SD-CG 3.29Å; M222-L527 WeakPolarHBondContact SD-CG 2.95Å; M222-L530 HydrophobicContact CE-CD1 4.19Å; M222-L531 HydrophobicContact SD-CD1 4.13Å; M222-L531 HydrophobicContact SD-CD2 3.7Å; M222-L531 HydrophobicContact SD-CG 3.91Å
223	L	84.4	Confident	88.5	Confident	7 Å²	7	41 Å²	41	4%	0.037	21%	0.205	C	C	.	.	H	α-helix	trans	-59.1	-45.5	174	-73	171.1	0	0	0	110.4	T219 V220 N226 E227 Y233 F413 M425	T219-L223 HydrophobicContact CG2-CD1 4.23Å; T219-L223 HydrophobicContact CG2-CG 4.49Å; T219-L223 WeakPolarHBondContact O-CG 3.17Å; T219-L223 PolarHBondContact O-N 3.17Å; V220-L223 PolarHBondContact O-N 2.77Å; L223-N226 PolarHBondContact O-N 3.4Å; L223-E227 WeakPolarHBondContact O-CB 3.47Å; L223-E227 PolarHBondContact O-N 3.02Å; L223-Y233 HydrophobicContact CB-CD1 4.14Å; L223-Y233 HydrophobicContact CB-CD2 3.79Å; L223-Y233 HydrophobicContact CB-CE1 4.42Å; L223-Y233 HydrophobicContact CB-CE2 4.09Å; L223-Y233 HydrophobicContact CB-CG 3.8Å; L223-Y233 HydrophobicContact CD1-CD1 3.87Å; L223-Y233 HydrophobicContact CD1-CE1 4.15Å; L223-Y233 HydrophobicContact CD1-CG 4.3Å; L223-F413 HydrophobicContact CD1-CB 4.28Å; L223-F413 HydrophobicContact CD1-CD2 3.78Å; L223-F413 HydrophobicContact CD1-CG 4.49Å; L223-M425 HydrophobicContact CD2-CE 3.71Å; L223-M425 HydrophobicContact CD2-SD 3.61Å
224	Q	91.7	Very high	88.4	Confident	72 Å²	72	41.4 Å²	41.4	34%	0.336	21%	0.209	S	C	.	.	H	α-helix	trans	-66.2	-42.7	-178.5	-172.2	61	73.2	0	0	113.3	V220 K221 M222 N226 E227 A231 V232	V220-Q224 WeakPolarHBondContact O-CB 3.23Å; V220-Q224 PolarHBondContact O-N 3.23Å; K221-Q224 PolarHBondContact O-N 2.81Å; M222-Q224 VanDerWaalsContact C-N 3.3Å; M222-Q224 PolarHBondContact O-N 3.22Å; Q224-N226 PolarHBondContact O-N 3.46Å; Q224-E227 PolarHBondContact O-N 2.97Å; Q224-A231 PolarHBondContact NE2-O 2.9Å; Q224-V232 VanDerWaalsContact OE1-CA 3.3Å
225	E	88.6	Confident	88.6	Confident	131 Å²	131	40 Å²	40	61%	0.612	21%	0.206	S	C	*	.	H	α-helix	trans	-64.8	-26	178.8	-77.2	173.9	171.3	0	0	112.5	K221	K221-E225 WeakPolarHBondContact CE-OE1 3.4Å; K221-E225 HydrophobicContact CG-CG 4.37Å; K221-E225 IonicContact NZ-OE1 3.17Å; K221-E225 WeakPolarHBondContact O-CB 3.3Å; K221-E225 VanDerWaalsContact O-CG 3.28Å; K221-E225 WeakPolarHBondContact O-CG 3.43Å; K221-E225 PolarHBondContact O-N 3.38Å
226	N	79.4	Confident	88.9	Confident	55 Å²	55	39.9 Å²	39.9	29%	0.294	21%	0.206	S	C	.	.	H	α-helix	trans	-106.7	-2.3	-175.5	-69	-62.4	0	0	0	114.2	M222 L223 Q224 W422	M222-N226 WeakPolarHBondContact O-CB 3.45Å; M222-N226 PolarHBondContact O-N 2.97Å; M222-N226 PolarHBondContact O-ND2 3.47Å; L223-N226 PolarHBondContact O-N 3.4Å; Q224-N226 PolarHBondContact O-N 3.46Å; N226-W422 HydrophobicContact CB-CD2 4.5Å; N226-W422 HydrophobicContact CB-CH2 4.23Å; N226-W422 HydrophobicContact CB-CZ2 3.42Å; N226-W422 VanDerWaalsContact CB-CZ2 3.42Å; N226-W422 PolarHBondContact O-NE1 3.48Å; N226-W422 WeakPolarHBondContact OD1-CZ2 3.45Å
227	E	85.6	Confident	89	Confident	29 Å²	29	41.2 Å²	41.2	14%	0.136	21%	0.212	C	C	.	.			trans	-66.2	133.3	178.4	-178.5	48	-111.7	0	0	110.7	L223 Q224 G229 A231 Y233 H420	L223-E227 WeakPolarHBondContact O-CB 3.47Å; L223-E227 PolarHBondContact O-N 3.02Å; Q224-E227 PolarHBondContact O-N 2.97Å; E227-G229 VanDerWaalsContact OE1-CA 3.31Å; E227-G229 WeakPolarHBondContact OE1-CA 3.42Å; E227-G229 PolarHBondContact OE1-N 3.39Å; E227-A231 HydrophobicContact CG-CB 3.98Å; E227-A231 WeakPolarHBondContact CG-O 3.12Å; E227-Y233 HydrophobicContact CB-CE2 4.07Å; E227-Y233 HydrophobicContact CG-CE2 3.97Å; E227-Y233 WeakPolarHBondContact OE2-CE2 3.45Å; E227-Y233 PolarHBondContact OE2-OH 3.39Å; E227-H420 WeakPolarHBondContact OE1-CA 3.45Å; E227-H420 VanDerWaalsContact OE1-CB 3.23Å; E227-H420 WeakPolarHBondContact OE1-CB 3.17Å; E227-H420 PolarHBondContact OE1-N 2.97Å; E227-H420 PolarHBondContact OE2-N 3.34Å
228	Q	80.9	Confident	89.2	Confident	81 Å²	81	40.1 Å²	40.1	38%	0.379	21%	0.206	S	C	.	.			trans	-113.5	-14.8	-173.3	-68.5	-174.2	20	0	0	113.6	H420 R447	Q228-H420 HydrophobicContact CB-CB 4.42Å; Q228-H420 VanDerWaalsContact CB-ND1 3.34Å; Q228-H420 WeakPolarHBondContact CB-ND1 3.03Å; Q228-H420 PolarHBondContact OE1-CE1 3.33Å; Q228-R447 PolarHBondContact O-NH1 3.5Å
229	G	80.9	Confident	89.6	Confident	23 Å²	23	36.7 Å²	36.7	24%	0.237	19%	0.192	C	C	.	.	S	Bend	trans	-89.6	-137.2	171.9	0	0	0	0	0	111.3	E227	E227-G229 VanDerWaalsContact OE1-CA 3.31Å; E227-G229 WeakPolarHBondContact OE1-CA 3.42Å; E227-G229 PolarHBondContact OE1-N 3.39Å
230	T	90.6	Very high	90.1	Very high	54 Å²	54	36.7 Å²	36.7	33%	0.331	19%	0.191	S	C	.	.	S	Bend	trans	-119.2	7.2	-178	55.8	0	0	0	0	112.2	I418 Q443 L450	T230-I418 PolarHBondContact N-O 3.36Å; T230-I418 WeakPolarHBondContact OG1-CB 3.37Å; T230-I418 PolarHBondContact OG1-N 2.72Å; T230-Q443 PolarHBondContact OG1-OE1 3.27Å; T230-L450 HydrophobicContact CG2-CD2 4.4Å
231	A	93.1	Very high	90.2	Very high	3 Å²	3	36.7 Å²	36.7	3%	0.025	19%	0.191	C	C	.	.			trans	-65.8	143.6	-178.5	0	0	0	0	0	113.3	Q224 E227 Y233 Y414 H416 I418 S419	Q224-A231 PolarHBondContact NE2-O 2.9Å; E227-A231 HydrophobicContact CG-CB 3.98Å; E227-A231 WeakPolarHBondContact CG-O 3.12Å; A231-Y233 HydrophobicContact CB-CE2 4.05Å; A231-Y414 HydrophobicContact CB-CD2 4.38Å; A231-Y414 HydrophobicContact CB-CE2 4.16Å; A231-H416 CarbonylContact C-O 3.4Å; A231-H416 WeakPolarHBondContact CA-O 3.36Å; A231-I418 PolarHBondContact N-O 3.09Å; A231-I418 VanDerWaalsContact N-O 3.08Å; A231-S419 VanDerWaalsContact CB-CA 3.48Å
232	V	96.1	Very high	90.1	Very high	53 Å²	53	32.1 Å²	32.1	32%	0.321	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	123.7	168.9	178	0	0	0	0	107.8	Q224 R415 H416	Q224-V232 VanDerWaalsContact OE1-CA 3.3Å; V232-R415 WeakPolarHBondContact O-CB 3.28Å; V232-R415 PolarHBondContact O-N 3.17Å; V232-H416 WeakPolarHBondContact CG2-CE1 2.99Å; V232-H416 PolarHBondContact N-O 2.99Å
233	Y	94.3	Very high	89.9	Confident	10 Å²	10	31.6 Å²	31.6	4%	0.039	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	144.2	170.8	-60.4	-89.4	0	0	0	109.3	L223 E227 A231 A410 F413 S419	L223-Y233 HydrophobicContact CB-CD1 4.14Å; L223-Y233 HydrophobicContact CB-CD2 3.79Å; L223-Y233 HydrophobicContact CB-CE1 4.42Å; L223-Y233 HydrophobicContact CB-CE2 4.09Å; L223-Y233 HydrophobicContact CB-CG 3.8Å; L223-Y233 HydrophobicContact CD1-CD1 3.87Å; L223-Y233 HydrophobicContact CD1-CE1 4.15Å; L223-Y233 HydrophobicContact CD1-CG 4.3Å; E227-Y233 HydrophobicContact CB-CE2 4.07Å; E227-Y233 HydrophobicContact CG-CE2 3.97Å; E227-Y233 WeakPolarHBondContact OE2-CE2 3.45Å; E227-Y233 PolarHBondContact OE2-OH 3.39Å; A231-Y233 HydrophobicContact CB-CE2 4.05Å; Y233-A410 HydrophobicContact CE1-CB 4.45Å; Y233-A410 WeakPolarHBondContact CE1-O 3.3Å; Y233-F413 VanDerWaalsContact CA-O 3.29Å; Y233-F413 WeakPolarHBondContact CA-O 3.4Å; Y233-F413 HydrophobicContact CD1-CB 4.22Å; Y233-S419 PolarHBondContact OH-OG 2.82Å
234	G	94.3	Very high	89.8	Confident	7 Å²	7	36 Å²	36	7%	0.072	19%	0.193	C	C	.	.			trans	-162	-179.1	-175.5	0	0	0	0	0	113	T236 F413	G234-T236 PolarHBondContact O-N 3.49Å; G234-F413 PolarHBondContact N-O 3.33Å
235	P	94.6	Very high	89.7	Confident	36 Å²	36	34.1 Å²	34.1	23%	0.234	18%	0.184	C	C	.	.			trans	-53	129.9	165.3	-18.3	28.3	0	0	0	109.8	F213 M217 S239 R415	F213-P235 HydrophobicContact CE2-CB 4.18Å; F213-P235 HydrophobicContact CZ-CB 4.38Å; F213-P235 HydrophobicContact CZ-CG 4.36Å; M217-P235 HydrophobicContact CE-CB 4.31Å; M217-P235 HydrophobicContact CE-CG 4.34Å; M217-P235 HydrophobicContact SD-CB 4.32Å; M217-P235 HydrophobicContact SD-CG 3.72Å; P235-S239 VanDerWaalsContact CA-OG 3.32Å; P235-S239 WeakPolarHBondContact CA-OG 3.11Å; P235-R415 WeakPolarHBondContact O-CD 3.45Å; P235-R415 PolarHBondContact O-NH1 3.26Å
236	T	94.9	Very high	89.7	Confident	5 Å²	5	28.2 Å²	28.2	3%	0.031	16%	0.156	C	C	.	.			trans	-125	174.4	169.5	68.2	0	0	0	0	107.4	F192 G234 F238 S239 M412	F192-T236 WeakPolarHBondContact CE2-O 3.27Å; G234-T236 PolarHBondContact O-N 3.49Å; T236-F238 PolarHBondContact O-N 3.44Å; T236-F238 PolarHBondContact OG1-N 2.86Å; T236-S239 PolarHBondContact N-OG 2.88Å; T236-S239 VanDerWaalsContact O-CB 3.32Å; T236-S239 WeakPolarHBondContact O-CB 3.46Å; T236-S239 PolarHBondContact O-N 3.02Å; T236-S239 PolarHBondContact O-OG 3.18Å; T236-M412 PolarHBondContact OG1-O 3.34Å
237	K	92.8	Very high	90	Very high	29 Å²	29	31 Å²	31	13%	0.126	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-12	174.3	68.5	179	-179.8	-178.6	0	114.8	H196 R198 W459	H196-K237 HydrophobicContact CB-CB 4.31Å; H196-K237 PolarHBondContact CE1-N 2.76Å; H196-K237 PolarHBondContact NE2-N 2.7Å; R198-K237 PolarHBondContact NH2-O 2.86Å; K237-W459 PolarHBondContact NZ-O 3.23Å
238	F	95.3	Very high	89.9	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-3.2	178.3	-51.3	-57.2	0	0	0	113.6	T236 D240 L241 F246 Y250 M412 W459 W463	T236-F238 PolarHBondContact O-N 3.44Å; T236-F238 PolarHBondContact OG1-N 2.86Å; F238-D240 PolarHBondContact O-N 3.48Å; F238-L241 HydrophobicContact CB-CD1 4.28Å; F238-L241 HydrophobicContact CD1-CD1 4.04Å; F238-L241 WeakPolarHBondContact O-CB 3.34Å; F238-L241 PolarHBondContact O-N 3.07Å; F238-F246 HydrophobicContact CB-CD2 3.98Å; F238-F246 HydrophobicContact CB-CE2 4.05Å; F238-F246 HydrophobicContact CD1-CD2 4Å; F238-F246 AromaticContact CD1-CE2 3.86Å; F238-F246 HydrophobicContact CD1-CE2 3.86Å; F238-F246 HydrophobicContact CD2-CD2 4.37Å; F238-F246 AromaticContact CD2-CE2 3.62Å; F238-F246 HydrophobicContact CD2-CE2 3.62Å; F238-F246 HydrophobicContact CD2-CZ 4.43Å; F238-F246 HydrophobicContact CE1-CE2 4.15Å; F238-F246 AromaticContact CE2-CE2 3.92Å; F238-F246 HydrophobicContact CE2-CE2 3.92Å; F238-F246 AromaticContact CG-CD2 3.87Å; F238-F246 HydrophobicContact CG-CD2 3.87Å; F238-F246 AromaticContact CG-CE2 3.57Å; F238-F246 HydrophobicContact CG-CE2 3.57Å; F238-F246 HydrophobicContact CZ-CE2 4.15Å; F238-Y250 HydrophobicContact CD1-CD2 4.14Å; F238-Y250 AromaticContact CD1-CE2 3.87Å; F238-Y250 HydrophobicContact CD1-CE2 3.87Å; F238-Y250 AromaticContact CE1-CD1 3.86Å; F238-Y250 HydrophobicContact CE1-CD1 3.86Å; F238-Y250 AromaticContact CE1-CD2 3.95Å; F238-Y250 HydrophobicContact CE1-CD2 3.95Å; F238-Y250 AromaticContact CE1-CE1 3.67Å; F238-Y250 HydrophobicContact CE1-CE1 3.67Å; F238-Y250 AromaticContact CE1-CE2 3.79Å; F238-Y250 HydrophobicContact CE1-CE2 3.79Å; F238-Y250 AromaticContact CE1-CG 3.99Å; F238-Y250 HydrophobicContact CE1-CG 3.99Å; F238-Y250 AromaticContact CE1-CZ 3.63Å; F238-Y250 HydrophobicContact CZ-CD1 4.35Å; F238-Y250 HydrophobicContact CZ-CE1 4.46Å; F238-M412 HydrophobicContact CB-CE 4.03Å; F238-M412 HydrophobicContact CB-CG 3.94Å; F238-M412 WeakPolarHBondContact O-CE 3.43Å; F238-W459 HydrophobicContact CD2-CE3 4.46Å; F238-W459 HydrophobicContact CE2-CB 4.44Å; F238-W459 AromaticContact CE2-CD2 3.83Å; F238-W459 HydrophobicContact CE2-CD2 3.83Å; F238-W459 AromaticContact CE2-CE3 3.44Å; F238-W459 HydrophobicContact CE2-CE3 3.44Å; F238-W459 VanDerWaalsContact CE2-CE3 3.44Å; F238-W459 HydrophobicContact CE2-CG 4.27Å; F238-W459 HydrophobicContact CE2-CZ3 4.07Å; F238-W459 HydrophobicContact CZ-CB 4.04Å; F238-W459 AromaticContact CZ-CD2 3.8Å; F238-W459 HydrophobicContact CZ-CD2 3.8Å; F238-W459 AromaticContact CZ-CE3 3.93Å; F238-W459 HydrophobicContact CZ-CE3 3.93Å; F238-W459 AromaticContact CZ-CG 3.85Å; F238-W459 HydrophobicContact CZ-CG 3.85Å; F238-W463 AromaticContact CD2-CD1 3.99Å; F238-W463 AromaticContact CE2-CD1 3.51Å; F238-W463 HydrophobicContact CE2-CG 4.25Å; F238-W463 AromaticContact CE2-NE1 3.89Å
239	S	95.3	Very high	90.1	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-8.4	-171.3	-68.6	0	0	0	0	115.5	F213 N216 P235 T236	F213-S239 VanDerWaalsContact CA-O 3.28Å; F213-S239 WeakPolarHBondContact CA-O 3.34Å; N216-S239 WeakPolarHBondContact CB-O 3.47Å; N216-S239 PolarHBondContact ND2-O 3.23Å; P235-S239 VanDerWaalsContact CA-OG 3.32Å; P235-S239 WeakPolarHBondContact CA-OG 3.11Å; T236-S239 PolarHBondContact N-OG 2.88Å; T236-S239 VanDerWaalsContact O-CB 3.32Å; T236-S239 WeakPolarHBondContact O-CB 3.46Å; T236-S239 PolarHBondContact O-N 3.02Å; T236-S239 PolarHBondContact O-OG 3.18Å
240	D	94.9	Very high	90.5	Very high	4 Å²	4	35.1 Å²	35.1	2%	0.021	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	7.4	172.5	67.8	-33	0	0	0	114	F192 R198 Y200 R209 I212 F238	F192-D240 HydrophobicContact CE1-CB 3.77Å; F192-D240 HydrophobicContact CZ-CB 3.61Å; R198-D240 IonicContact NE-OD2 3.52Å; Y200-D240 WeakPolarHBondContact OH-CB 3.31Å; Y200-D240 VanDerWaalsContact OH-CG 3.28Å; Y200-D240 PolarHBondContact OH-OD2 3.47Å; R209-D240 HydrophobicContact CB-CB 4.26Å; R209-D240 VanDerWaalsContact CD-O 3.3Å; R209-D240 WeakPolarHBondContact CD-O 2.92Å; R209-D240 PolarHBondContact NH1-O 2.92Å; I212-D240 WeakPolarHBondContact CG2-O 3.31Å; F238-D240 PolarHBondContact O-N 3.48Å
241	L	92.9	Very high	90.4	Very high	12 Å²	12	32.8 Å²	32.8	6%	0.063	16%	0.159	C	C	.	.	S	Bend	trans	-101.9	144.7	-179.4	-55.8	-179.9	0	0	0	111.8	I212 N216 F238 E245 F246 Y250 M412	I212-L241 VanDerWaalsContact CG2-C 3.41Å; I212-L241 WeakPolarHBondContact CG2-O 3.34Å; N216-L241 PolarHBondContact ND2-O 2.68Å; F238-L241 HydrophobicContact CB-CD1 4.28Å; F238-L241 HydrophobicContact CD1-CD1 4.04Å; F238-L241 WeakPolarHBondContact O-CB 3.34Å; F238-L241 PolarHBondContact O-N 3.07Å; L241-E245 WeakPolarHBondContact CA-OE2 3.33Å; L241-E245 HydrophobicContact CB-CB 4.21Å; L241-E245 HydrophobicContact CD2-CB 4.45Å; L241-F246 HydrophobicContact CD1-CD2 4.48Å; L241-Y250 HydrophobicContact CD1-CD2 4.24Å; L241-Y250 HydrophobicContact CD1-CE2 3.54Å; L241-M412 HydrophobicContact CB-CE 4.23Å; L241-M412 WeakPolarHBondContact O-CE 3.5Å
242	T	87.3	Confident	89.8	Confident	33 Å²	33	32.7 Å²	32.7	20%	0.202	16%	0.158	C	C	.	.			trans	-72.6	162	165.4	82.6	0	0	0	0	110.3	I212 E244 E245 F246	I212-T242 HydrophobicContact CD1-CG2 3.66Å; I212-T242 HydrophobicContact CG1-CG2 4Å; I212-T242 HydrophobicContact CG2-CG2 4.39Å; T242-E244 VanDerWaalsContact CB-OE2 3.3Å; T242-E244 WeakPolarHBondContact CB-OE2 3.31Å; T242-E244 PolarHBondContact O-N 2.87Å; T242-E244 PolarHBondContact OG1-N 2.88Å; T242-E244 PolarHBondContact OG1-OE2 2.94Å; T242-E245 PolarHBondContact N-OE2 2.89Å; T242-E245 PolarHBondContact O-N 2.96Å; T242-E245 PolarHBondContact OG1-N 3.27Å; T242-F246 WeakPolarHBondContact O-CB 3.5Å; T242-F246 PolarHBondContact O-N 3.38Å
243	P	80.4	Confident	88.4	Confident	20 Å²	20	33.6 Å²	33.6	13%	0.13	17%	0.166	C	C	.	.	H	α-helix	trans	-56.1	-36.9	173.3	-23.8	34	0	0	0	113	F246 R247 N534	P243-F246 PolarHBondContact O-N 3.24Å; P243-R247 WeakPolarHBondContact O-CB 3.25Å; P243-R247 PolarHBondContact O-N 2.85Å; P243-N534 WeakPolarHBondContact CD-ND2 3.29Å; P243-N534 HydrophobicContact CG-CB 3.42Å; P243-N534 VanDerWaalsContact CG-CB 3.42Å; P243-N534 VanDerWaalsContact CG-ND2 3.34Å; P243-N534 WeakPolarHBondContact CG-ND2 3.28Å
244	E	82.5	Confident	87.1	Confident	100 Å²	100	35.7 Å²	35.7	47%	0.467	18%	0.179	S	C	.	.	H	α-helix	trans	-68.5	-44.3	179	-58.6	71.3	-153.6	0	0	110.9	T242 R247 H248	T242-E244 VanDerWaalsContact CB-OE2 3.3Å; T242-E244 WeakPolarHBondContact CB-OE2 3.31Å; T242-E244 PolarHBondContact O-N 2.87Å; T242-E244 PolarHBondContact OG1-N 2.88Å; T242-E244 PolarHBondContact OG1-OE2 2.94Å; E244-R247 PolarHBondContact O-N 2.77Å; E244-H248 WeakPolarHBondContact O-CB 3.33Å; E244-H248 PolarHBondContact O-N 3.35Å
245	E	88.2	Confident	85.9	Confident	32 Å²	32	37.2 Å²	37.2	15%	0.15	18%	0.183	C	C	.	.	H	α-helix	trans	-61.5	-47.2	173.7	-72.2	174.8	148.9	0	0	110.4	K208 R209 L241 T242 R247 H248 F249	K208-E245 IonicContact NZ-OE1 3.09Å; K208-E245 PolarHBondContact NZ-OE1 2.87Å; R209-E245 IonicContact CZ-OE1 3.82Å; R209-E245 IonicContact CZ-OE2 2.8Å; R209-E245 VanDerWaalsContact NH1-CD 3.31Å; R209-E245 IonicContact NH1-OE1 3.88Å; R209-E245 PolarHBondContact NH1-OE1 3.17Å; R209-E245 IonicContact NH1-OE2 4Å; R209-E245 PolarHBondContact NH1-OE2 3.2Å; R209-E245 IonicContact NH2-OE1 2.79Å; R209-E245 PolarHBondContact NH2-OE1 3.33Å; R209-E245 IonicContact NH2-OE2 3.96Å; L241-E245 WeakPolarHBondContact CA-OE2 3.33Å; L241-E245 HydrophobicContact CB-CB 4.21Å; L241-E245 HydrophobicContact CD2-CB 4.45Å; T242-E245 PolarHBondContact N-OE2 2.89Å; T242-E245 PolarHBondContact O-N 2.96Å; T242-E245 PolarHBondContact OG1-N 3.27Å; E245-R247 PolarHBondContact O-N 3.28Å; E245-H248 PolarHBondContact O-N 3.33Å; E245-F249 HydrophobicContact CB-CD2 4.14Å; E245-F249 HydrophobicContact CB-CE2 3.93Å; E245-F249 HydrophobicContact CG-CE2 4.26Å; E245-F249 VanDerWaalsContact O-CB 3.32Å; E245-F249 WeakPolarHBondContact O-CB 3.2Å; E245-F249 WeakPolarHBondContact O-CD2 3.42Å; E245-F249 VanDerWaalsContact O-CG 3.26Å; E245-F249 WeakPolarHBondContact O-CG 3.43Å; E245-F249 PolarHBondContact O-N 3.24Å
246	F	88.9	Confident	84.7	Confident	6 Å²	6	42.1 Å²	42.1	3%	0.026	20%	0.2	C	C	.	.	H	α-helix	trans	-59.6	-47.9	177.8	-178	-109.4	0	0	0	112	F238 L241 T242 P243 H248 F249 Y250 L251 A408 M412 W459	F238-F246 HydrophobicContact CB-CD2 3.98Å; F238-F246 HydrophobicContact CB-CE2 4.05Å; F238-F246 HydrophobicContact CD1-CD2 4Å; F238-F246 AromaticContact CD1-CE2 3.86Å; F238-F246 HydrophobicContact CD1-CE2 3.86Å; F238-F246 HydrophobicContact CD2-CD2 4.37Å; F238-F246 AromaticContact CD2-CE2 3.62Å; F238-F246 HydrophobicContact CD2-CE2 3.62Å; F238-F246 HydrophobicContact CD2-CZ 4.43Å; F238-F246 HydrophobicContact CE1-CE2 4.15Å; F238-F246 AromaticContact CE2-CE2 3.92Å; F238-F246 HydrophobicContact CE2-CE2 3.92Å; F238-F246 AromaticContact CG-CD2 3.87Å; F238-F246 HydrophobicContact CG-CD2 3.87Å; F238-F246 AromaticContact CG-CE2 3.57Å; F238-F246 HydrophobicContact CG-CE2 3.57Å; F238-F246 HydrophobicContact CZ-CE2 4.15Å; L241-F246 HydrophobicContact CD1-CD2 4.48Å; T242-F246 WeakPolarHBondContact O-CB 3.5Å; T242-F246 PolarHBondContact O-N 3.38Å; P243-F246 PolarHBondContact O-N 3.24Å; F246-H248 PolarHBondContact O-N 3.47Å; F246-F249 PolarHBondContact O-N 2.99Å; F246-Y250 AromaticContact CD2-CD2 3.75Å; F246-Y250 HydrophobicContact CD2-CD2 3.75Å; F246-Y250 HydrophobicContact CD2-CG 4.36Å; F246-Y250 HydrophobicContact CE2-CD2 4.16Å; F246-Y250 HydrophobicContact CE2-CG 4.36Å; F246-Y250 PolarHBondContact O-N 3.34Å; F246-L251 HydrophobicContact CD1-CD1 3.96Å; F246-L251 HydrophobicContact CD1-CG 4.25Å; F246-L251 HydrophobicContact CE1-CD1 3.94Å; F246-L251 HydrophobicContact CE1-CD2 3.92Å; F246-L251 HydrophobicContact CE1-CG 4.12Å; F246-L251 HydrophobicContact CZ-CD2 4.29Å; F246-A408 HydrophobicContact CE1-CB 4.42Å; F246-M412 HydrophobicContact CB-CE 4.14Å; F246-M412 HydrophobicContact CB-SD 4.15Å; F246-M412 HydrophobicContact CD1-CB 4.41Å; F246-M412 HydrophobicContact CD1-CG 4.22Å; F246-M412 HydrophobicContact CD1-SD 3.97Å; F246-M412 HydrophobicContact CD2-CE 4.43Å; F246-M412 HydrophobicContact CD2-CG 4.1Å; F246-M412 HydrophobicContact CD2-SD 4.31Å; F246-M412 HydrophobicContact CE1-CB 3.94Å; F246-M412 HydrophobicContact CE1-CG 4.13Å; F246-M412 HydrophobicContact CE1-SD 4.43Å; F246-M412 HydrophobicContact CE2-CB 4.44Å; F246-M412 HydrophobicContact CE2-CG 4.04Å; F246-M412 HydrophobicContact CG-CE 4.26Å; F246-M412 HydrophobicContact CG-CG 4.19Å; F246-M412 HydrophobicContact CG-SD 3.88Å; F246-M412 HydrophobicContact CZ-CB 3.95Å; F246-M412 HydrophobicContact CZ-CG 4.03Å; F246-W459 HydrophobicContact CE1-CH2 4.29Å; F246-W459 HydrophobicContact CE2-CH2 4.33Å; F246-W459 HydrophobicContact CE2-CZ2 4.41Å; F246-W459 AromaticContact CZ-CH2 3.46Å; F246-W459 HydrophobicContact CZ-CH2 3.46Å; F246-W459 VanDerWaalsContact CZ-CH2 3.46Å; F246-W459 AromaticContact CZ-CZ2 3.74Å; F246-W459 HydrophobicContact CZ-CZ2 3.74Å; F246-W459 AromaticContact CZ-CZ3 3.97Å; F246-W459 HydrophobicContact CZ-CZ3 3.97Å
247	R	86	Confident	83.5	Confident	113 Å²	113	45.2 Å²	45.2	43%	0.426	21%	0.211	S	C	.	.	H	α-helix	trans	-62.4	-41.2	177.1	-176.4	-178.2	179.7	104	3.6	112.4	P243 E244 E245 L251 D432	P243-R247 WeakPolarHBondContact O-CB 3.25Å; P243-R247 PolarHBondContact O-N 2.85Å; E244-R247 PolarHBondContact O-N 2.77Å; E245-R247 PolarHBondContact O-N 3.28Å; R247-L251 HydrophobicContact CB-CD1 4.1Å; R247-L251 HydrophobicContact CG-CB 4.32Å; R247-L251 HydrophobicContact CG-CD1 4.22Å; R247-L251 WeakPolarHBondContact O-CB 3.43Å; R247-L251 PolarHBondContact O-N 2.71Å; R247-D432 IonicContact NH1-OD2 3.7Å
248	H	83.4	Confident	82.5	Confident	132 Å²	132	46 Å²	46	61%	0.611	22%	0.217	S	C	*	.	H	α-helix	trans	-69.2	-38.3	-179.2	-179.5	56.6	0	0	0	112.2	E244 E245 F246	E244-H248 WeakPolarHBondContact O-CB 3.33Å; E244-H248 PolarHBondContact O-N 3.35Å; E245-H248 PolarHBondContact O-N 3.33Å; F246-H248 PolarHBondContact O-N 3.47Å
249	F	85.2	Confident	81.4	Confident	64 Å²	64	50.2 Å²	50.2	28%	0.281	25%	0.252	S	S	.	.	H	α-helix	trans	-91.2	-32.8	-172.5	-66.7	-37.5	0	0	0	114.8	E245 F246 T293 C294	E245-F249 HydrophobicContact CB-CD2 4.14Å; E245-F249 HydrophobicContact CB-CE2 3.93Å; E245-F249 HydrophobicContact CG-CE2 4.26Å; E245-F249 VanDerWaalsContact O-CB 3.32Å; E245-F249 WeakPolarHBondContact O-CB 3.2Å; E245-F249 WeakPolarHBondContact O-CD2 3.42Å; E245-F249 VanDerWaalsContact O-CG 3.26Å; E245-F249 WeakPolarHBondContact O-CG 3.43Å; E245-F249 PolarHBondContact O-N 3.24Å; F246-F249 PolarHBondContact O-N 2.99Å; F249-T293 HydrophobicContact CB-CG2 3.65Å; F249-T293 HydrophobicContact CD1-CG2 3.4Å; F249-T293 HydrophobicContact CD2-CG2 4.49Å; F249-T293 HydrophobicContact CE1-CG2 4.17Å; F249-T293 HydrophobicContact CG-CG2 3.6Å; F249-T293 CarbonylContact O-C 3.59Å; F249-T293 VanDerWaalsContact O-C 3.32Å; F249-C294 CarbonylContact O-C 3.44Å; F249-C294 PolarHBondContact O-N 3.02Å; F249-C294 VanDerWaalsContact O-N 3.12Å
250	Y	88.9	Confident	80.5	Confident	25 Å²	25	56.4 Å²	56.4	10%	0.098	29%	0.285	C	S	.	.	H	α-helix	trans	-123.4	-11.5	-167.9	-58.5	-78	0	0	0	114.4	F238 L241 F246 Q291 K292	F238-Y250 HydrophobicContact CD1-CD2 4.14Å; F238-Y250 AromaticContact CD1-CE2 3.87Å; F238-Y250 HydrophobicContact CD1-CE2 3.87Å; F238-Y250 AromaticContact CE1-CD1 3.86Å; F238-Y250 HydrophobicContact CE1-CD1 3.86Å; F238-Y250 AromaticContact CE1-CD2 3.95Å; F238-Y250 HydrophobicContact CE1-CD2 3.95Å; F238-Y250 AromaticContact CE1-CE1 3.67Å; F238-Y250 HydrophobicContact CE1-CE1 3.67Å; F238-Y250 AromaticContact CE1-CE2 3.79Å; F238-Y250 HydrophobicContact CE1-CE2 3.79Å; F238-Y250 AromaticContact CE1-CG 3.99Å; F238-Y250 HydrophobicContact CE1-CG 3.99Å; F238-Y250 AromaticContact CE1-CZ 3.63Å; F238-Y250 HydrophobicContact CZ-CD1 4.35Å; F238-Y250 HydrophobicContact CZ-CE1 4.46Å; L241-Y250 HydrophobicContact CD1-CD2 4.24Å; L241-Y250 HydrophobicContact CD1-CE2 3.54Å; F246-Y250 AromaticContact CD2-CD2 3.75Å; F246-Y250 HydrophobicContact CD2-CD2 3.75Å; F246-Y250 HydrophobicContact CD2-CG 4.36Å; F246-Y250 HydrophobicContact CE2-CD2 4.16Å; F246-Y250 HydrophobicContact CE2-CG 4.36Å; F246-Y250 PolarHBondContact O-N 3.34Å; Y250-Q291 PolarHBondContact O-NE2 3.38Å; Y250-K292 VanDerWaalsContact CD1-O 3.27Å; Y250-K292 WeakPolarHBondContact CD1-O 3.41Å; Y250-K292 WeakPolarHBondContact CE1-O 3.3Å
251	L	88.8	Confident	79.4	Confident	4 Å²	4	59.1 Å²	59.1	2%	0.021	30%	0.297	C	S	.	.	S	Bend	trans	-111.4	170.3	-177.6	-51.4	-173.4	0	0	0	110.7	F246 R247 G295 A408 D432 H433 W459	F246-L251 HydrophobicContact CD1-CD1 3.96Å; F246-L251 HydrophobicContact CD1-CG 4.25Å; F246-L251 HydrophobicContact CE1-CD1 3.94Å; F246-L251 HydrophobicContact CE1-CD2 3.92Å; F246-L251 HydrophobicContact CE1-CG 4.12Å; F246-L251 HydrophobicContact CZ-CD2 4.29Å; R247-L251 HydrophobicContact CB-CD1 4.1Å; R247-L251 HydrophobicContact CG-CB 4.32Å; R247-L251 HydrophobicContact CG-CD1 4.22Å; R247-L251 WeakPolarHBondContact O-CB 3.43Å; R247-L251 PolarHBondContact O-N 2.71Å; L251-G295 VanDerWaalsContact O-CA 3.3Å; L251-G295 WeakPolarHBondContact O-CA 3.27Å; L251-A408 HydrophobicContact CD1-CB 4.19Å; L251-A408 HydrophobicContact CD2-CB 3.53Å; L251-D432 HydrophobicContact CB-CB 4.43Å; L251-D432 WeakPolarHBondContact CB-O 3.38Å; L251-D432 HydrophobicContact CD1-CB 4.31Å; L251-D432 WeakPolarHBondContact CD1-OD2 3.43Å; L251-H433 HydrophobicContact CD2-CB 4.06Å; L251-W459 HydrophobicContact CD2-CZ2 3.85Å
252	T	81.4	Confident	78.4	Confident	1 Å²	1	61.1 Å²	61.1	1%	0.006	31%	0.31	C	S	.	.			trans	-102.7	115.1	175.3	169.1	0	0	0	0	110	V254 W255 G337 G338 D432	T252-V254 PolarHBondContact O-N 2.85Å; T252-V254 PolarHBondContact OG1-N 2.72Å; T252-V254 PolarHBondContact OG1-O 2.92Å; T252-W255 HydrophobicContact CG2-CE3 3.39Å; T252-W255 HydrophobicContact CG2-CZ3 3.54Å; T252-G337 WeakPolarHBondContact OG1-CA 3.4Å; T252-G338 PolarHBondContact OG1-N 3.27Å; T252-G338 VanDerWaalsContact OG1-N 3.13Å; T252-D432 WeakPolarHBondContact CG2-O 3.44Å; T252-D432 PolarHBondContact N-O 3.03Å
253	P	66.1	Low	77.6	Confident	73 Å²	73	59.6 Å²	59.6	47%	0.474	30%	0.301	S	S	.	.	S	Bend	trans	-72.3	-20	176.3	29	-33.8	0	0	0	112.3	N336	P253-N336 VanDerWaalsContact CD-O 3.26Å; P253-N336 WeakPolarHBondContact CD-O 3.5Å; P253-N336 WeakPolarHBondContact CG-O 3.36Å
254	V	68.2	Low	77.6	Confident	53 Å²	53	60.6 Å²	60.6	32%	0.321	30%	0.304	S	S	.	.			trans	-102.1	98.1	178.8	-177.1	0	0	0	0	109.7	T252 K256	T252-V254 PolarHBondContact O-N 2.85Å; T252-V254 PolarHBondContact OG1-N 2.72Å; T252-V254 PolarHBondContact OG1-O 2.92Å; V254-K256 HydrophobicContact CG1-CB 4.41Å
255	W	69.1	Low	77.7	Confident	40 Å²	40	61.1 Å²	61.1	15%	0.152	30%	0.304	C	S	.	.			trans	-111.2	63.2	170.4	-158	-84.9	0	0	0	110.3	T252 L339 L431 C495	T252-W255 HydrophobicContact CG2-CE3 3.39Å; T252-W255 HydrophobicContact CG2-CZ3 3.54Å; W255-L339 HydrophobicContact CB-CD2 4.35Å; W255-L339 HydrophobicContact CD2-CD2 3.28Å; W255-L339 HydrophobicContact CE3-CD2 3.67Å; W255-L339 HydrophobicContact CG-CD2 3.63Å; W255-L339 HydrophobicContact CH2-CD2 4.02Å; W255-L339 HydrophobicContact CZ2-CD2 3.67Å; W255-L339 HydrophobicContact CZ3-CD2 4.03Å; W255-L431 WeakPolarHBondContact CB-O 3.45Å; W255-L431 HydrophobicContact CD2-CB 3.91Å; W255-L431 HydrophobicContact CG-CB 4.03Å; W255-L431 HydrophobicContact CZ2-CB 4.41Å; W255-C495 HydrophobicContact CZ2-CB 4.34Å
256	K	68.2	Low	77.6	Confident	138 Å²	138	60.3 Å²	60.3	60%	0.6	30%	0.303	S	S	*	.			trans	-127.5	112	-174.9	-63	-169	178.8	172.3	0	111.9	V254 N258 L339 K510	V254-K256 HydrophobicContact CG1-CB 4.41Å; K256-N258 PolarHBondContact O-N 3.42Å; K256-L339 WeakPolarHBondContact O-CD1 3.23Å; K256-K510 VanDerWaalsContact CG-NZ 3.3Å
257	R	70.2	Confident	77.7	Confident	70 Å²	70	63.9 Å²	63.9	26%	0.264	33%	0.334	S	S	.	.			trans	-59.2	132.7	169.9	-172.7	-179.9	-61.4	179.3	3.1	108.8	A259 L339 W341 E384 C494	R257-A259 PolarHBondContact O-N 2.99Å; R257-L339 HydrophobicContact CB-CD1 4.28Å; R257-W341 HydrophobicContact CG-CD2 4.26Å; R257-W341 HydrophobicContact CG-CG 3.95Å; R257-E384 IonicContact CZ-OE1 2.68Å; R257-E384 IonicContact NH1-OE1 3.58Å; R257-E384 PolarHBondContact NH1-OE1 3.36Å; R257-E384 IonicContact NH1-OE2 3.93Å; R257-E384 IonicContact NH2-OE1 2.6Å; R257-E384 PolarHBondContact NH2-OE1 2.87Å; R257-C494 PolarHBondContact NH2-O 2.94Å
258	N	71.4	Confident	77.9	Confident	46 Å²	46	61.1 Å²	61.1	25%	0.246	33%	0.327	C	S	.	.			trans	-70.8	118	169.3	-178	-24.8	0	0	0	108.7	K256 N260 F261 N342	K256-N258 PolarHBondContact O-N 3.42Å; N258-N260 PolarHBondContact O-N 3.19Å; N258-N260 VanDerWaalsContact O-N 3.09Å; N258-N260 WeakPolarHBondContact OD1-CB 3.49Å; N258-N260 PolarHBondContact OD1-N 3.41Å; N258-N260 VanDerWaalsContact OD1-N 3.1Å; N258-F261 HydrophobicContact CB-CD2 3.81Å; N258-F261 HydrophobicContact CB-CE2 4.15Å; N258-F261 PolarHBondContact O-N 3.4Å; N258-N342 PolarHBondContact N-OD1 3.29Å
259	A	72.6	Confident	78.2	Confident	88 Å²	88	56.4 Å²	56.4	73%	0.727	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-17.5	-172.9	0	0	0	0	0	113.5	R257 F261	R257-A259 PolarHBondContact O-N 2.99Å; A259-F261 VanDerWaalsContact C-N 3.25Å; A259-F261 PolarHBondContact O-N 3.05Å
260	N	76.2	Confident	78.4	Confident	130 Å²	130	59.8 Å²	59.8	70%	0.695	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-8.2	-179.9	-62.9	-25.1	0	0	0	113.5	N258 P262	N258-N260 PolarHBondContact O-N 3.19Å; N258-N260 VanDerWaalsContact O-N 3.09Å; N258-N260 WeakPolarHBondContact OD1-CB 3.49Å; N258-N260 PolarHBondContact OD1-N 3.41Å; N258-N260 VanDerWaalsContact OD1-N 3.1Å; N260-P262 VanDerWaalsContact O-CD 3.29Å; N260-P262 WeakPolarHBondContact O-CD 3.4Å
261	F	72.1	Confident	78.5	Confident	61 Å²	61	61.3 Å²	61.3	27%	0.268	35%	0.352	S	S	.	.	S	Bend	trans	-114.7	87.3	-179.1	-57.8	-62.6	0	0	0	110.5	N258 A259 L331 W341 K345	N258-F261 HydrophobicContact CB-CD2 3.81Å; N258-F261 HydrophobicContact CB-CE2 4.15Å; N258-F261 PolarHBondContact O-N 3.4Å; A259-F261 VanDerWaalsContact C-N 3.25Å; A259-F261 PolarHBondContact O-N 3.05Å; F261-L331 HydrophobicContact CD2-CD1 4.29Å; F261-L331 HydrophobicContact CE2-CD1 3.51Å; F261-L331 HydrophobicContact CE2-CD2 3.99Å; F261-L331 HydrophobicContact CE2-CG 4.41Å; F261-L331 HydrophobicContact CZ-CD1 3.97Å; F261-L331 HydrophobicContact CZ-CD2 4.32Å; F261-W341 PolarHBondContact O-NE1 3.34Å; F261-W341 VanDerWaalsContact O-NE1 3.16Å; F261-K345 HydrophobicContact CB-CG 4.47Å; F261-K345 HydrophobicContact CD1-CD 4.27Å; F261-K345 HydrophobicContact CD1-CG 4.22Å; F261-K345 HydrophobicContact CG-CG 4.17Å
262	P	72	Confident	78.6	Confident	54 Å²	54	70.5 Å²	70.5	35%	0.351	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-64.8	147.5	178	27.4	-34.3	0	0	0	111	N260	N260-P262 VanDerWaalsContact O-CD 3.29Å; N260-P262 WeakPolarHBondContact O-CD 3.4Å
263	A	69.2	Low	79	Confident	2 Å²	2	72.4 Å²	72.4	2%	0.017	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-83.4	129.7	-176.3	0	0	0	0	0	113.4	W341 E384 N505 A506	A263-W341 HydrophobicContact CB-CE3 4.48Å; A263-W341 HydrophobicContact CB-CH2 3.05Å; A263-W341 HydrophobicContact CB-CZ2 3.64Å; A263-W341 HydrophobicContact CB-CZ3 3.48Å; A263-W341 VanDerWaalsContact CB-CZ3 3.48Å; A263-E384 HydrophobicContact CB-CB 3.81Å; A263-E384 HydrophobicContact CB-CG 4.48Å; A263-E384 WeakPolarHBondContact CB-OE2 3.5Å; A263-N505 CarbonylContact O-C 3.6Å; A263-N505 VanDerWaalsContact O-CA 3.27Å; A263-N505 WeakPolarHBondContact O-CA 3.19Å; A263-N505 PolarHBondContact O-N 3.2Å; A263-N505 VanDerWaalsContact O-N 3.09Å; A263-A506 PolarHBondContact O-N 3.48Å
264	K	81.4	Confident	80.3	Confident	40 Å²	40	70.4 Å²	70.4	17%	0.174	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	132.9	159	176.8	170.4	-177.3	138.4	0	109.3	V383 E384 A502 A503 P504	K264-V383 HydrophobicContact CB-CB 4.3Å; K264-V383 HydrophobicContact CB-CG1 3.94Å; K264-V383 HydrophobicContact CD-CG1 3.5Å; K264-V383 VanDerWaalsContact CD-CG1 3.5Å; K264-V383 HydrophobicContact CG-CB 4.2Å; K264-V383 HydrophobicContact CG-CG1 3.63Å; K264-V383 CarbonylContact O-C 2.9Å; K264-V383 WeakPolarHBondContact O-CA 3.5Å; K264-V383 WeakPolarHBondContact O-CB 3.36Å; K264-E384 PolarHBondContact O-N 2.03Å; K264-A502 PolarHBondContact NZ-O 3.32Å; K264-A503 VanDerWaalsContact CD-N 3.31Å; K264-A503 WeakPolarHBondContact CD-O 3.23Å; K264-A503 WeakPolarHBondContact CE-O 3.26Å; K264-A503 VanDerWaalsContact CG-O 3.27Å; K264-A503 WeakPolarHBondContact CG-O 3.34Å; K264-A503 PolarHBondContact NZ-O 2.95Å; K264-P504 VanDerWaalsContact CB-CA 3.49Å; K264-P504 HydrophobicContact CB-CB 3.82Å
265	K	85.1	Confident	81.4	Confident	111 Å²	111	72.1 Å²	72.1	48%	0.483	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	139.9	168.1	-62.1	-58.6	-172.1	-177.1	0	111.3	E384	K265-E384 HydrophobicContact CD-CB 4.45Å; K265-E384 IonicContact NZ-OE2 2.98Å; K265-E384 PolarHBondContact NZ-OE2 3.38Å
266	A	85.3	Confident	82.6	Confident	15 Å²	15	75.1 Å²	75.1	12%	0.124	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-66.1	143	175.7	0	0	0	0	0	112.3	I268 V383 E384 L385 Y395	A266-I268 HydrophobicContact CB-CD1 4.03Å; A266-V383 HydrophobicContact CB-CB 4.24Å; A266-V383 HydrophobicContact CB-CG2 3.44Å; A266-V383 VanDerWaalsContact CB-CG2 3.44Å; A266-E384 WeakPolarHBondContact CB-O 3.46Å; A266-E384 PolarHBondContact N-O 3.03Å; A266-L385 HydrophobicContact CB-CD2 3.64Å; A266-Y395 HydrophobicContact CB-CD2 4.14Å; A266-Y395 HydrophobicContact CB-CE2 3.84Å
267	A	90.3	Very high	83.9	Confident	82 Å²	82	71.5 Å²	71.5	68%	0.678	40%	0.397	S	S	*	.			trans	-83	115.7	163.4	0	0	0	0	0	108.5	P269	A267-P269 WeakPolarHBondContact O-CD 3.28Å
268	I	89.8	Confident	85.2	Confident	55 Å²	55	68.4 Å²	68.4	28%	0.282	39%	0.385	S	S	.	.			trans	-79.2	122.5	-176.4	-53.8	-53.2	0	0	0	110.4	A266 S270 P386 E391 A394 Y395	A266-I268 HydrophobicContact CB-CD1 4.03Å; I268-S270 PolarHBondContact O-N 2.69Å; I268-P386 VanDerWaalsContact CD1-CD 3.46Å; I268-P386 HydrophobicContact CD1-CG 3.63Å; I268-P386 HydrophobicContact CG1-CG 4.04Å; I268-E391 HydrophobicContact CD1-CB 4.35Å; I268-E391 HydrophobicContact CG1-CB 4.23Å; I268-E391 HydrophobicContact CG2-CB 3.85Å; I268-E391 HydrophobicContact CG2-CG 4.06Å; I268-A394 HydrophobicContact CG2-CB 4.43Å; I268-Y395 HydrophobicContact CD1-CD2 4.28Å
269	P	89.8	Confident	86.5	Confident	33 Å²	33	67 Å²	67	21%	0.214	38%	0.377	C	S	.	.			trans	-66.5	131.5	178.9	-22.2	35.8	0	0	0	111.7	A267 V271 A398 N399	A267-P269 WeakPolarHBondContact O-CD 3.28Å; P269-V271 HydrophobicContact CB-CG1 3.93Å; P269-V271 HydrophobicContact CB-CG2 4.37Å; P269-V271 PolarHBondContact O-N 2.88Å; P269-A398 HydrophobicContact CB-CB 3.81Å; P269-A398 HydrophobicContact CG-CB 3.66Å; P269-N399 WeakPolarHBondContact CG-ND2 3.43Å
270	S	91.2	Very high	87.6	Confident	135 Å²	135	67.8 Å²	67.8	94%	0.944	36%	0.361	S	S	*	.			trans	-77.7	60.5	171.2	-58.3	0	0	0	0	111.3	I268	I268-S270 PolarHBondContact O-N 2.69Å
271	V	89.4	Confident	88.6	Confident	57 Å²	57	68.4 Å²	68.4	35%	0.345	36%	0.359	S	S	.	.			trans	-95.1	147.6	178.2	-65.2	0	0	0	0	111.1	P269 L273 A394 A398	P269-V271 HydrophobicContact CB-CG1 3.93Å; P269-V271 HydrophobicContact CB-CG2 4.37Å; P269-V271 PolarHBondContact O-N 2.88Å; V271-L273 PolarHBondContact O-N 2.69Å; V271-A394 HydrophobicContact CG2-CB 3.81Å; V271-A398 HydrophobicContact CG1-CB 4.17Å
272	K	92	Very high	89.7	Confident	196 Å²	196	69.4 Å²	69.4	85%	0.852	37%	0.365	S	S	*	.			trans	-71.8	114	165.7	-176	-178.3	177.1	-174.9	0	108	A274 Q397	K272-A274 PolarHBondContact O-N 3.34Å; K272-Q397 PolarHBondContact O-NE2 3.01Å
273	L	90.3	Very high	90.7	Very high	41 Å²	41	71.3 Å²	71.3	22%	0.215	37%	0.372	C	S	.	.			trans	-58.9	129	174.8	-71.8	177.4	0	0	0	110.4	V271 N390 A393 A394 F440	V271-L273 PolarHBondContact O-N 2.69Å; L273-N390 HydrophobicContact CD1-CB 3.99Å; L273-A393 HydrophobicContact CD1-CB 4.32Å; L273-A393 HydrophobicContact CD2-CB 3.77Å; L273-A394 VanDerWaalsContact CD2-CA 3.42Å; L273-A394 HydrophobicContact CD2-CB 3.83Å; L273-A394 VanDerWaalsContact CD2-N 3.3Å; L273-F440 HydrophobicContact CD2-CZ 4.37Å
274	A	93	Very high	92.1	Very high	31 Å²	31	71.2 Å²	71.2	26%	0.256	37%	0.371	S	S	.	.			trans	-71.5	159.7	166.2	0	0	0	0	0	109.7	K272 Q276 F440	K272-A274 PolarHBondContact O-N 3.34Å; A274-Q276 WeakPolarHBondContact CB-O 2.84Å; A274-F440 WeakPolarHBondContact O-CE2 3.34Å
275	D	90.2	Very high	92.8	Very high	89 Å²	89	70.3 Å²	70.3	48%	0.476	37%	0.369	S	S	.	.	S	Bend	trans	-71.7	-25.1	170.3	-82.8	13.2	0	0	0	110.9	G441 V442 K449	D275-G441 CarbonylContact O-C 3.52Å; D275-V442 WeakPolarHBondContact O-CG2 3.44Å; D275-V442 PolarHBondContact O-N 3.45Å; D275-K449 IonicContact OD2-NZ 3.59Å
276	Q	94.1	Very high	93.4	Very high	103 Å²	103	65.6 Å²	65.6	48%	0.481	35%	0.349	S	S	.	.			trans	-147.3	140.5	178.6	-178.2	172.8	-7.9	0	0	110.7	A274 F440	A274-Q276 WeakPolarHBondContact CB-O 2.84Å; Q276-F440 WeakPolarHBondContact CA-O 3.45Å
277	W	96.8	Very high	94	Very high	63 Å²	63	71.7 Å²	71.7	24%	0.239	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	128.2	173.9	-167.7	-94.7	0	0	0	109.9	W279 H282 Q397 G439 F440	W277-W279 AromaticContact CD1-CE2 3.89Å; W277-W279 AromaticContact CD1-NE1 3.69Å; W277-W279 AromaticContact CZ2-CH2 3.98Å; W277-W279 HydrophobicContact CZ2-CH2 3.98Å; W277-W279 HydrophobicContact CZ2-CZ2 4.2Å; W277-W279 HydrophobicContact CZ2-CZ3 4.37Å; W277-W279 AromaticContact NE1-CD2 3.62Å; W277-W279 AromaticContact NE1-CE2 3.14Å; W277-W279 AromaticContact NE1-CH2 3.88Å; W277-W279 AromaticContact NE1-CZ2 3.31Å; W277-W279 VanDerWaalsContact NE1-CZ2 3.31Å; W277-W279 AromaticContact NE1-NE1 3.44Å; W277-H282 AromaticContact CH2-NE2 3.81Å; W277-H282 AromaticContact CZ2-NE2 3.98Å; W277-Q397 HydrophobicContact CD2-CB 4.49Å; W277-Q397 HydrophobicContact CD2-CG 3.74Å; W277-Q397 HydrophobicContact CE3-CG 3.97Å; W277-Q397 HydrophobicContact CG-CB 4.28Å; W277-Q397 HydrophobicContact CG-CG 3.99Å; W277-Q397 HydrophobicContact CZ3-CG 4.49Å; W277-G439 CarbonylContact O-C 3.53Å; W277-G439 WeakPolarHBondContact O-CA 3.41Å; W277-F440 HydrophobicContact CB-CD1 4.38Å; W277-F440 HydrophobicContact CB-CE1 3.83Å; W277-F440 HydrophobicContact CB-CE2 4.08Å; W277-F440 HydrophobicContact CB-CZ 3.66Å; W277-F440 PolarHBondContact N-O 3.04Å; W277-F440 PolarHBondContact O-N 3.25Å; W277-F440 VanDerWaalsContact O-O 3.11Å
278	D	97.6	Very high	94.3	Very high	4 Å²	4	68.8 Å²	68.8	2%	0.021	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	112.6	-178.6	-169.6	-16.5	0	0	0	111.3	R280 E281 H282 I454	D278-R280 PolarHBondContact O-N 2.85Å; D278-R280 WeakPolarHBondContact OD1-CB 3.36Å; D278-R280 WeakPolarHBondContact OD1-CG 3.37Å; D278-R280 PolarHBondContact OD1-N 3.05Å; D278-R280 IonicContact OD1-NE 3.07Å; D278-R280 PolarHBondContact OD1-NE 3.34Å; D278-R280 IonicContact OD2-CZ 3.17Å; D278-R280 IonicContact OD2-NE 2.86Å; D278-R280 PolarHBondContact OD2-NE 3.32Å; D278-R280 IonicContact OD2-NH2 2.66Å; D278-R280 PolarHBondContact OD2-NH2 2.9Å; D278-E281 HydrophobicContact CB-CG 4.3Å; D278-E281 PolarHBondContact O-N 3.26Å; D278-E281 VanDerWaalsContact O-N 3.16Å; D278-H282 PolarHBondContact O-ND1 2.82Å; D278-I454 HydrophobicContact CB-CD1 4.01Å; D278-I454 WeakPolarHBondContact OD2-CD1 3.28Å
279	W	98	Very high	94.6	Very high	18 Å²	18	67.7 Å²	67.7	7%	0.068	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-69.2	-14.9	-179.2	-76.7	113.7	0	0	0	114.1	W277 E281 H282 A284 V285 I312 V396 Q397 G400 P401 V438	W277-W279 AromaticContact CD1-CE2 3.89Å; W277-W279 AromaticContact CD1-NE1 3.69Å; W277-W279 AromaticContact CZ2-CH2 3.98Å; W277-W279 HydrophobicContact CZ2-CH2 3.98Å; W277-W279 HydrophobicContact CZ2-CZ2 4.2Å; W277-W279 HydrophobicContact CZ2-CZ3 4.37Å; W277-W279 AromaticContact NE1-CD2 3.62Å; W277-W279 AromaticContact NE1-CE2 3.14Å; W277-W279 AromaticContact NE1-CH2 3.88Å; W277-W279 AromaticContact NE1-CZ2 3.31Å; W277-W279 VanDerWaalsContact NE1-CZ2 3.31Å; W277-W279 AromaticContact NE1-NE1 3.44Å; W279-E281 PolarHBondContact O-N 2.9Å; W279-H282 HydrophobicContact CE3-CB 3.53Å; W279-H282 HydrophobicContact CZ3-CB 3.84Å; W279-H282 PolarHBondContact O-N 3.43Å; W279-H282 VanDerWaalsContact O-N 3.13Å; W279-A284 HydrophobicContact CB-CB 4.12Å; W279-A284 HydrophobicContact CD2-CB 4.08Å; W279-A284 HydrophobicContact CE3-CB 3.54Å; W279-A284 HydrophobicContact CG-CB 4.35Å; W279-A284 HydrophobicContact CZ3-CB 4.31Å; W279-A284 PolarHBondContact O-N 3.13Å; W279-V285 HydrophobicContact CB-CG2 3.69Å; W279-I312 HydrophobicContact CD2-CD1 4.14Å; W279-I312 HydrophobicContact CE3-CD1 3.85Å; W279-I312 HydrophobicContact CE3-CG1 4.25Å; W279-I312 HydrophobicContact CH2-CD1 3.5Å; W279-I312 VanDerWaalsContact CH2-CD1 3.5Å; W279-I312 HydrophobicContact CH2-CG1 3.99Å; W279-I312 HydrophobicContact CZ2-CD1 3.77Å; W279-I312 HydrophobicContact CZ3-CD1 3.54Å; W279-I312 HydrophobicContact CZ3-CG1 3.72Å; W279-V396 WeakPolarHBondContact CZ2-O 3.17Å; W279-V396 PolarHBondContact NE1-O 2.87Å; W279-Q397 WeakPolarHBondContact CZ2-O 3.47Å; W279-G400 VanDerWaalsContact CE2-CA 3.43Å; W279-P401 HydrophobicContact CB-CG 4.07Å; W279-P401 HydrophobicContact CG-CG 4.14Å; W279-V438 VanDerWaalsContact CB-O 3.23Å; W279-V438 WeakPolarHBondContact CB-O 3.48Å; W279-V438 PolarHBondContact N-O 2.85Å
280	R	96.9	Very high	94.9	Very high	103 Å²	103	69.4 Å²	69.4	39%	0.389	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-62.5	-32.9	171.6	-59.5	177.6	-64.4	175.7	4.1	111.2	D278 H282 V285 V438 Y468	D278-R280 PolarHBondContact O-N 2.85Å; D278-R280 WeakPolarHBondContact OD1-CB 3.36Å; D278-R280 WeakPolarHBondContact OD1-CG 3.37Å; D278-R280 PolarHBondContact OD1-N 3.05Å; D278-R280 IonicContact OD1-NE 3.07Å; D278-R280 PolarHBondContact OD1-NE 3.34Å; D278-R280 IonicContact OD2-CZ 3.17Å; D278-R280 IonicContact OD2-NE 2.86Å; D278-R280 PolarHBondContact OD2-NE 3.32Å; D278-R280 IonicContact OD2-NH2 2.66Å; D278-R280 PolarHBondContact OD2-NH2 2.9Å; R280-H282 VanDerWaalsContact C-N 3.26Å; R280-H282 PolarHBondContact O-N 3.32Å; R280-V285 HydrophobicContact CG-CB 4.17Å; R280-V285 HydrophobicContact CG-CG1 4.23Å; R280-V285 HydrophobicContact CG-CG2 4.12Å; R280-V438 HydrophobicContact CG-CG2 4.42Å; R280-Y468 WeakPolarHBondContact CD-OH 3.46Å; R280-Y468 HydrophobicContact CG-CE1 4.27Å
281	E	96.5	Very high	94.9	Very high	143 Å²	143	63 Å²	63	67%	0.668	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-81.8	-5.6	178.3	-57.9	179.1	174	0	0	112.8	D278 W279	D278-E281 HydrophobicContact CB-CG 4.3Å; D278-E281 PolarHBondContact O-N 3.26Å; D278-E281 VanDerWaalsContact O-N 3.16Å; W279-E281 PolarHBondContact O-N 2.9Å
282	H	95.7	Very high	94.9	Very high	82 Å²	82	64.9 Å²	64.9	38%	0.38	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-123.3	25.3	-170.6	-65.6	78.6	0	0	0	112.8	W277 D278 W279 R280 A284	W277-H282 AromaticContact CH2-NE2 3.81Å; W277-H282 AromaticContact CZ2-NE2 3.98Å; D278-H282 PolarHBondContact O-ND1 2.82Å; W279-H282 HydrophobicContact CE3-CB 3.53Å; W279-H282 HydrophobicContact CZ3-CB 3.84Å; W279-H282 PolarHBondContact O-N 3.43Å; W279-H282 VanDerWaalsContact O-N 3.13Å; R280-H282 VanDerWaalsContact C-N 3.26Å; R280-H282 PolarHBondContact O-N 3.32Å; H282-A284 PolarHBondContact O-N 3.08Å; H282-A284 VanDerWaalsContact O-N 3.13Å
283	N	93.1	Very high	94.7	Very high	94 Å²	94	59.5 Å²	59.5	50%	0.503	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.6	30.4	177.1	-166.7	44	0	0	0	114.2	S311 L317	N283-S311 WeakPolarHBondContact O-CB 3.36Å; N283-S311 PolarHBondContact O-OG 3.48Å; N283-L317 WeakPolarHBondContact OD1-CD2 3.37Å
284	A	96.7	Very high	94.6	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.287	C	S	.	.			trans	-118	17.2	-178	0	0	0	0	0	113.1	W279 H282 G308 I312 P401	W279-A284 HydrophobicContact CB-CB 4.12Å; W279-A284 HydrophobicContact CD2-CB 4.08Å; W279-A284 HydrophobicContact CE3-CB 3.54Å; W279-A284 HydrophobicContact CG-CB 4.35Å; W279-A284 HydrophobicContact CZ3-CB 4.31Å; W279-A284 PolarHBondContact O-N 3.13Å; H282-A284 PolarHBondContact O-N 3.08Å; H282-A284 VanDerWaalsContact O-N 3.13Å; A284-G308 WeakPolarHBondContact O-CA 3.28Å; A284-I312 HydrophobicContact CB-CD1 4.02Å; A284-I312 HydrophobicContact CB-CG1 3.96Å; A284-P401 WeakPolarHBondContact O-CG 3.4Å
285	V	97.9	Very high	94.5	Very high	21 Å²	21	56.2 Å²	56.2	13%	0.127	28%	0.275	C	S	.	.			trans	-139	119.6	179.7	-175.4	0	0	0	0	108.6	W279 R280 P401 V438 K456	W279-V285 HydrophobicContact CB-CG2 3.69Å; R280-V285 HydrophobicContact CG-CB 4.17Å; R280-V285 HydrophobicContact CG-CG1 4.23Å; R280-V285 HydrophobicContact CG-CG2 4.12Å; V285-P401 HydrophobicContact CG2-CG 4.14Å; V285-V438 HydrophobicContact CG1-CG1 4.11Å; V285-V438 HydrophobicContact CG2-CB 3.83Å; V285-V438 HydrophobicContact CG2-CG1 3.73Å; V285-K456 HydrophobicContact CG1-CD 3.8Å
286	T	97.8	Very high	94.7	Very high	12 Å²	12	52 Å²	52	7%	0.074	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-71.1	172	171.3	57.3	0	0	0	0	111.4	E307 L317 V318 K456	T286-E307 WeakPolarHBondContact CB-OE2 3.43Å; T286-E307 HydrophobicContact CG2-CB 4.14Å; T286-E307 VanDerWaalsContact CG2-CD 3.48Å; T286-E307 HydrophobicContact CG2-CG 4.16Å; T286-E307 VanDerWaalsContact CG2-OE2 3.23Å; T286-E307 WeakPolarHBondContact CG2-OE2 3.16Å; T286-E307 PolarHBondContact OG1-OE2 2.8Å; T286-L317 HydrophobicContact CG2-CD1 3.85Å; T286-L317 HydrophobicContact CG2-CD2 4.41Å; T286-L317 HydrophobicContact CG2-CG 4.03Å; T286-V318 WeakPolarHBondContact CG2-O 3.32Å; T286-K456 VanDerWaalsContact C-NZ 3.35Å; T286-K456 PolarHBondContact O-NZ 2.91Å; T286-K456 PolarHBondContact OG1-NZ 3.5Å
287	D	96.8	Very high	94.7	Very high	144 Å²	144	47 Å²	47	77%	0.77	23%	0.23	S	C	*	.	P	Polyproline II helix	trans	-55.2	153.9	173.7	-63.8	-29.6	0	0	0	112.7	K289 K456	D287-K289 PolarHBondContact O-N 2.78Å; D287-K456 WeakPolarHBondContact O-CE 3.17Å; D287-K456 PolarHBondContact O-NZ 3.48Å
288	V	97	Very high	94.6	Very high	20 Å²	20	44 Å²	44	12%	0.121	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-67.8	121.5	172.9	172.4	0	0	0	0	109.5	K456 T461 D466 Y468	V288-K456 HydrophobicContact CG2-CG 4.41Å; V288-T461 HydrophobicContact CB-CG2 3.91Å; V288-T461 HydrophobicContact CG1-CG2 4.33Å; V288-D466 WeakPolarHBondContact CG2-O 2.97Å; V288-Y468 HydrophobicContact CG2-CD2 4.2Å; V288-Y468 HydrophobicContact CG2-CE2 3.57Å
289	K	96.9	Very high	94.5	Very high	32 Å²	32	43.9 Å²	43.9	14%	0.139	22%	0.217	C	C	.	.			trans	-94.2	175.9	177.9	-57.4	-175.2	179.3	-177.8	0	112.1	D287 F300 E307 S319 L320 E322 E356 S458 G460	D287-K289 PolarHBondContact O-N 2.78Å; K289-F300 HydrophobicContact CB-CD1 3.82Å; K289-F300 HydrophobicContact CB-CE1 3.47Å; K289-F300 VanDerWaalsContact CB-CE1 3.47Å; K289-F300 HydrophobicContact CD-CD1 4.06Å; K289-F300 HydrophobicContact CD-CE1 3.78Å; K289-F300 HydrophobicContact CG-CE1 4.3Å; K289-E307 IonicContact NZ-OE1 3Å; K289-E307 PolarHBondContact NZ-OE1 2.87Å; K289-S319 WeakPolarHBondContact CE-OG 3.39Å; K289-S319 PolarHBondContact NZ-OG 2.8Å; K289-S319 VanDerWaalsContact NZ-OG 3.17Å; K289-L320 PolarHBondContact NZ-O 3.31Å; K289-E322 WeakPolarHBondContact CD-OE1 3.32Å; K289-E322 WeakPolarHBondContact CD-OE2 3.4Å; K289-E322 WeakPolarHBondContact CE-OE1 3.35Å; K289-E322 IonicContact NZ-OE1 2.66Å; K289-E322 PolarHBondContact NZ-OE1 2.84Å; K289-E322 IonicContact NZ-OE2 2.72Å; K289-E322 PolarHBondContact NZ-OE2 3.21Å; K289-E356 IonicContact NZ-OE2 3.49Å; K289-S458 CarbonylContact O-C 3.41Å; K289-G460 WeakPolarHBondContact O-CA 3.36Å; K289-G460 PolarHBondContact O-N 3.31Å
290	N	94.1	Very high	94.5	Very high	69 Å²	69	43.7 Å²	43.7	37%	0.369	22%	0.217	S	C	.	.	B	Isolated β-bridge	trans	-133.8	113.9	-178.9	-174.1	-11	0	0	0	111.5	K292 S458	N290-K292 PolarHBondContact O-N 3.45Å; N290-K292 PolarHBondContact OD1-N 3.27Å; N290-S458 CarbonylContact C-O 3.6Å; N290-S458 WeakPolarHBondContact CA-O 3.35Å
291	Q	91.8	Very high	94.5	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.199	C	C	.	.			trans	-71.3	-4.8	179	76.9	-173.8	81.3	0	0	114.2	Y250 C294 F300 Y361 S458 W459	Y250-Q291 PolarHBondContact O-NE2 3.38Å; Q291-C294 PolarHBondContact NE2-O 3.46Å; Q291-F300 VanDerWaalsContact CA-CE2 3.44Å; Q291-F300 HydrophobicContact CB-CD2 3.68Å; Q291-F300 HydrophobicContact CB-CE2 3.28Å; Q291-F300 HydrophobicContact CB-CZ 4.01Å; Q291-Y361 PolarHBondContact O-OH 3.3Å; Q291-S458 PolarHBondContact N-O 2.83Å; Q291-S458 PolarHBondContact OE1-OG 3.49Å; Q291-W459 VanDerWaalsContact OE1-CD1 3.25Å; Q291-W459 VanDerWaalsContact OE1-NE1 3.14Å
292	K	89.5	Confident	94.4	Very high	97 Å²	97	32 Å²	32	42%	0.422	17%	0.167	S	C	.	.			trans	55.5	-142.1	-176.8	-56.7	166.1	174.7	166.9	0	110.4	Y250 N290 C294 Y361 L362	Y250-K292 VanDerWaalsContact CD1-O 3.27Å; Y250-K292 WeakPolarHBondContact CD1-O 3.41Å; Y250-K292 WeakPolarHBondContact CE1-O 3.3Å; N290-K292 PolarHBondContact O-N 3.45Å; N290-K292 PolarHBondContact OD1-N 3.27Å; K292-C294 PolarHBondContact O-N 2.67Å; K292-Y361 HydrophobicContact CD-CD1 4.41Å; K292-Y361 HydrophobicContact CD-CE1 4.23Å; K292-Y361 HydrophobicContact CG-CE1 4.43Å; K292-Y361 PolarHBondContact NZ-O 2.88Å; K292-L362 PolarHBondContact NZ-O 3.13Å
293	T	87.4	Confident	94.5	Very high	83 Å²	83	28.2 Å²	28.2	51%	0.509	15%	0.15	S	C	.	.	S	Bend	trans	-97.4	58.3	-180	-48.7	0	0	0	0	110	F249	F249-T293 HydrophobicContact CB-CG2 3.65Å; F249-T293 HydrophobicContact CD1-CG2 3.4Å; F249-T293 HydrophobicContact CD2-CG2 4.49Å; F249-T293 HydrophobicContact CE1-CG2 4.17Å; F249-T293 HydrophobicContact CG-CG2 3.6Å; F249-T293 CarbonylContact O-C 3.59Å; F249-T293 VanDerWaalsContact O-C 3.32Å
294	C	88.9	Confident	94.7	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.014	13%	0.13	C	C	.	.	S	Bend	trans	-142.1	131.2	-179.5	170.7	0	0	0	0	108.9	F249 Q291 K292 S296 C335 G363	F249-C294 CarbonylContact O-C 3.44Å; F249-C294 PolarHBondContact O-N 3.02Å; F249-C294 VanDerWaalsContact O-N 3.12Å; Q291-C294 PolarHBondContact NE2-O 3.46Å; K292-C294 PolarHBondContact O-N 2.67Å; C294-S296 PolarHBondContact O-N 3.36Å; C294-S296 VanDerWaalsContact SG-CB 3.52Å; C294-C335 HydrophobicContact CB-CB 3.93Å; C294-C335 WeakPolarHBondContact CB-SG 3.24Å; C294-C335 WeakPolarHBondContact SG-CA 3.08Å; C294-C335 WeakPolarHBondContact SG-CB 3.44Å; C294-C335 CovalentContact SG-SG 2.03Å; C294-C335 PolarHBondContact SG-SG 3.3Å; C294-G363 WeakPolarHBondContact CB-O 3.34Å
295	G	90.2	Very high	94.7	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.01	13%	0.13	C	C	.	.	S	Bend	trans	-73.5	39.6	178.2	0	0	0	0	0	114.2	L251 C335	L251-G295 VanDerWaalsContact O-CA 3.3Å; L251-G295 WeakPolarHBondContact O-CA 3.27Å; G295-C335 WeakPolarHBondContact CA-O 3.34Å; G295-C335 PolarHBondContact N-O 3.25Å
296	S	95	Very high	94.6	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.125	C	C	.	.			trans	-96.4	22	-177.2	70.3	0	0	0	0	114	C294 W298 A299 F300 Y361	C294-S296 PolarHBondContact O-N 3.36Å; C294-S296 VanDerWaalsContact SG-CB 3.52Å; S296-W298 PolarHBondContact O-N 3.44Å; S296-W298 VanDerWaalsContact O-N 3.13Å; S296-A299 WeakPolarHBondContact O-CB 3.36Å; S296-A299 PolarHBondContact O-N 3.48Å; S296-F300 WeakPolarHBondContact O-CD2 3.3Å; S296-F300 PolarHBondContact O-N 3.34Å; S296-F300 WeakPolarHBondContact OG-CE2 3.34Å; S296-Y361 PolarHBondContact OG-OH 2.74Å
297	C	94.4	Very high	94.6	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-55.5	-29.5	177.1	56.1	0	0	0	0	113	A299 F300 A301 H433 G434	C297-A299 VanDerWaalsContact C-N 3.31Å; C297-A299 PolarHBondContact O-N 2.91Å; C297-F300 PolarHBondContact O-N 3.38Å; C297-A301 WeakPolarHBondContact O-CB 3.32Å; C297-A301 PolarHBondContact O-N 2.95Å; C297-H433 WeakPolarHBondContact CB-CE1 3.43Å; C297-H433 VanDerWaalsContact CB-ND1 3.26Å; C297-H433 WeakPolarHBondContact CB-ND1 3.4Å; C297-H433 PolarHBondContact SG-ND1 2.86Å; C297-G434 PolarHBondContact SG-N 2.79Å
298	W	93.5	Very high	94.6	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-58.5	-39.6	171.4	64.9	-91	0	0	0	112.7	S296 T302 L325 D329 D332 G334 G338 A343	S296-W298 PolarHBondContact O-N 3.44Å; S296-W298 VanDerWaalsContact O-N 3.13Å; W298-T302 WeakPolarHBondContact O-CB 3.36Å; W298-T302 PolarHBondContact O-N 3.28Å; W298-T302 VanDerWaalsContact O-N 3.08Å; W298-T302 PolarHBondContact O-OG1 2.8Å; W298-L325 HydrophobicContact CH2-CB 4.01Å; W298-L325 HydrophobicContact CZ3-CB 4.03Å; W298-D329 HydrophobicContact CH2-CB 3.85Å; W298-D329 HydrophobicContact CZ3-CB 4.37Å; W298-D332 HydrophobicContact CH2-CB 3.88Å; W298-D332 HydrophobicContact CZ2-CB 3.93Å; W298-D332 HydrophobicContact CZ3-CB 4.19Å; W298-D332 WeakPolarHBondContact CZ3-OD2 3.27Å; W298-G334 PolarHBondContact NE1-O 3.48Å; W298-G338 VanDerWaalsContact CB-C 3.46Å; W298-G338 WeakPolarHBondContact CB-O 3.27Å; W298-G338 VanDerWaalsContact CG-C 3.49Å; W298-A343 HydrophobicContact CE3-CB 3.84Å; W298-A343 HydrophobicContact CZ3-CB 3.66Å
299	A	96.9	Very high	94.4	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-69.4	-42.4	177.7	0	0	0	0	0	111.1	S296 C297 T302 T303 E322 L325 V326	S296-A299 WeakPolarHBondContact O-CB 3.36Å; S296-A299 PolarHBondContact O-N 3.48Å; C297-A299 VanDerWaalsContact C-N 3.31Å; C297-A299 PolarHBondContact O-N 2.91Å; A299-T302 WeakPolarHBondContact O-CB 3.47Å; A299-T302 PolarHBondContact O-N 3.22Å; A299-T303 PolarHBondContact O-N 2.97Å; A299-T303 PolarHBondContact O-OG1 3.31Å; A299-E322 HydrophobicContact CB-CB 4.11Å; A299-E322 HydrophobicContact CB-CG 4.33Å; A299-L325 HydrophobicContact CB-CB 3.97Å; A299-L325 HydrophobicContact CB-CD1 4.04Å; A299-V326 HydrophobicContact CB-CG2 4.34Å
300	F	98.1	Very high	94.3	Very high	14 Å²	14	15.9 Å²	15.9	6%	0.061	8%	0.083	C	C	.	.	H	α-helix	trans	-64.8	-38.1	176.1	-75	-83.5	0	0	0	113.1	K289 Q291 S296 C297 T303 A304 E322 Y361	K289-F300 HydrophobicContact CB-CD1 3.82Å; K289-F300 HydrophobicContact CB-CE1 3.47Å; K289-F300 VanDerWaalsContact CB-CE1 3.47Å; K289-F300 HydrophobicContact CD-CD1 4.06Å; K289-F300 HydrophobicContact CD-CE1 3.78Å; K289-F300 HydrophobicContact CG-CE1 4.3Å; Q291-F300 VanDerWaalsContact CA-CE2 3.44Å; Q291-F300 HydrophobicContact CB-CD2 3.68Å; Q291-F300 HydrophobicContact CB-CE2 3.28Å; Q291-F300 HydrophobicContact CB-CZ 4.01Å; S296-F300 WeakPolarHBondContact O-CD2 3.3Å; S296-F300 PolarHBondContact O-N 3.34Å; S296-F300 WeakPolarHBondContact OG-CE2 3.34Å; C297-F300 PolarHBondContact O-N 3.38Å; F300-T303 WeakPolarHBondContact CA-OG1 3.47Å; F300-T303 PolarHBondContact O-OG1 2.88Å; F300-T303 VanDerWaalsContact O-OG1 3.09Å; F300-A304 VanDerWaalsContact O-CB 3.22Å; F300-A304 WeakPolarHBondContact O-CB 3.35Å; F300-A304 PolarHBondContact O-N 3.49Å; F300-E322 HydrophobicContact CB-CG 4.36Å; F300-E322 HydrophobicContact CD1-CG 3.54Å; F300-E322 HydrophobicContact CD2-CB 4.5Å; F300-E322 HydrophobicContact CD2-CG 4.02Å; F300-E322 HydrophobicContact CE1-CB 4.27Å; F300-E322 VanDerWaalsContact CE1-CD 3.44Å; F300-E322 HydrophobicContact CE1-CG 3.62Å; F300-E322 WeakPolarHBondContact CE1-OE2 3.26Å; F300-E322 HydrophobicContact CE2-CB 4.2Å; F300-E322 HydrophobicContact CE2-CG 4.09Å; F300-E322 HydrophobicContact CG-CG 3.74Å; F300-E322 HydrophobicContact CZ-CB 4.09Å; F300-E322 HydrophobicContact CZ-CG 3.91Å; F300-Y361 HydrophobicContact CE2-CD2 4.33Å; F300-Y361 HydrophobicContact CE2-CE1 4.06Å; F300-Y361 AromaticContact CE2-CE2 3.7Å; F300-Y361 HydrophobicContact CE2-CE2 3.7Å; F300-Y361 AromaticContact CE2-CZ 3.54Å; F300-Y361 AromaticContact CZ-CD1 3.94Å; F300-Y361 HydrophobicContact CZ-CD1 3.94Å; F300-Y361 AromaticContact CZ-CD2 3.95Å; F300-Y361 HydrophobicContact CZ-CD2 3.95Å; F300-Y361 AromaticContact CZ-CE1 3.76Å; F300-Y361 HydrophobicContact CZ-CE1 3.76Å; F300-Y361 AromaticContact CZ-CE2 3.75Å; F300-Y361 HydrophobicContact CZ-CE2 3.75Å; F300-Y361 HydrophobicContact CZ-CG 4.03Å; F300-Y361 AromaticContact CZ-CZ 3.66Å
301	A	95.3	Very high	94.4	Very high	2 Å²	2	13 Å²	13	2%	0.017	7%	0.068	C	C	.	.	H	α-helix	trans	-65.7	-41.2	174.7	0	0	0	0	0	111.3	C297 N305 P340 A403	C297-A301 WeakPolarHBondContact O-CB 3.32Å; C297-A301 PolarHBondContact O-N 2.95Å; A301-N305 PolarHBondContact O-N 2.79Å; A301-N305 VanDerWaalsContact O-N 3.17Å; A301-P340 HydrophobicContact CB-CG 4.02Å; A301-A403 HydrophobicContact CB-CB 4.18Å; A301-A403 WeakPolarHBondContact O-CB 3.3Å
302	T	95.5	Very high	94.4	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-60.8	-54.5	175.3	-59.1	0	0	0	0	111.4	W298 A299 A304 N305 V306 L325 P340 A343 Y344 I347	W298-T302 WeakPolarHBondContact O-CB 3.36Å; W298-T302 PolarHBondContact O-N 3.28Å; W298-T302 VanDerWaalsContact O-N 3.08Å; W298-T302 PolarHBondContact O-OG1 2.8Å; A299-T302 WeakPolarHBondContact O-CB 3.47Å; A299-T302 PolarHBondContact O-N 3.22Å; T302-A304 PolarHBondContact O-N 3.04Å; T302-N305 WeakPolarHBondContact O-CB 3.32Å; T302-N305 PolarHBondContact O-N 3.11Å; T302-V306 WeakPolarHBondContact O-CG2 2.95Å; T302-V306 PolarHBondContact O-N 2.7Å; T302-L325 HydrophobicContact CG2-CD1 3.8Å; T302-P340 VanDerWaalsContact OG1-CA 3.25Å; T302-P340 WeakPolarHBondContact OG1-CA 3.35Å; T302-P340 WeakPolarHBondContact OG1-CB 3.31Å; T302-A343 HydrophobicContact CG2-CB 3.76Å; T302-A343 WeakPolarHBondContact OG1-CB 3.44Å; T302-Y344 HydrophobicContact CG2-CD1 3.76Å; T302-Y344 HydrophobicContact CG2-CE1 3.54Å; T302-I347 HydrophobicContact CG2-CD1 3.57Å
303	T	97.8	Very high	94.5	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.006	9%	0.09	C	C	.	.	H	α-helix	trans	-61.3	-45.6	-179.6	51.7	0	0	0	0	110.7	A299 F300 N305 V306 E307 L320 E322 L325 L353	A299-T303 PolarHBondContact O-N 2.97Å; A299-T303 PolarHBondContact O-OG1 3.31Å; F300-T303 WeakPolarHBondContact CA-OG1 3.47Å; F300-T303 PolarHBondContact O-OG1 2.88Å; F300-T303 VanDerWaalsContact O-OG1 3.09Å; T303-N305 PolarHBondContact O-N 3.33Å; T303-V306 PolarHBondContact O-N 2.96Å; T303-E307 VanDerWaalsContact O-CB 3.31Å; T303-E307 WeakPolarHBondContact O-CB 3.24Å; T303-E307 WeakPolarHBondContact O-CG 3.18Å; T303-E307 PolarHBondContact O-N 2.8Å; T303-L320 HydrophobicContact CG2-CB 4.1Å; T303-E322 VanDerWaalsContact CB-OE1 3.31Å; T303-E322 WeakPolarHBondContact CB-OE1 2.89Å; T303-E322 HydrophobicContact CG2-CG 3.83Å; T303-E322 PolarHBondContact OG1-OE1 3.43Å; T303-L325 HydrophobicContact CG2-CD1 4.1Å; T303-L353 HydrophobicContact CG2-CD1 4.35Å
304	A	97.7	Very high	94.7	Very high	12 Å²	12	18.9 Å²	18.9	10%	0.099	9%	0.089	C	C	.	.	H	α-helix	trans	-56.8	-35.9	177.7	0	0	0	0	0	113.2	F300 T302 G308 A436 K456	F300-A304 VanDerWaalsContact O-CB 3.22Å; F300-A304 WeakPolarHBondContact O-CB 3.35Å; F300-A304 PolarHBondContact O-N 3.49Å; T302-A304 PolarHBondContact O-N 3.04Å; A304-G308 PolarHBondContact O-N 3.32Å; A304-A436 HydrophobicContact CB-CB 3.8Å; A304-K456 HydrophobicContact CB-CD 4.49Å
305	N	95.8	Very high	94.9	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-68.8	-50.8	172.5	177.4	-100.1	0	0	0	112.1	A301 T302 T303 E307 G308 V309 Y344 P401 A403 V499	A301-N305 PolarHBondContact O-N 2.79Å; A301-N305 VanDerWaalsContact O-N 3.17Å; T302-N305 WeakPolarHBondContact O-CB 3.32Å; T302-N305 PolarHBondContact O-N 3.11Å; T303-N305 PolarHBondContact O-N 3.33Å; N305-E307 PolarHBondContact O-N 3.41Å; N305-G308 PolarHBondContact O-N 2.74Å; N305-V309 WeakPolarHBondContact O-CG2 3.39Å; N305-V309 PolarHBondContact O-N 3.01Å; N305-Y344 WeakPolarHBondContact CB-OH 3.29Å; N305-Y344 VanDerWaalsContact CG-OH 3.25Å; N305-Y344 PolarHBondContact OD1-OH 2.78Å; N305-P401 PolarHBondContact ND2-O 3.01Å; N305-A403 HydrophobicContact CB-CB 4.11Å; N305-V499 WeakPolarHBondContact OD1-CG2 3.13Å
306	V	96.5	Very high	95	Very high	3 Å²	3	27 Å²	27	2%	0.018	14%	0.144	C	C	.	.	H	α-helix	trans	-62.7	-44.7	-177.8	-179.9	0	0	0	0	111	T302 T303 G308 V309 W310 L320 Y344 I347 A377 I379	T302-V306 WeakPolarHBondContact O-CG2 2.95Å; T302-V306 PolarHBondContact O-N 2.7Å; T303-V306 PolarHBondContact O-N 2.96Å; V306-G308 PolarHBondContact O-N 2.86Å; V306-V309 PolarHBondContact O-N 3.38Å; V306-W310 WeakPolarHBondContact O-CB 3.11Å; V306-W310 PolarHBondContact O-N 3.4Å; V306-L320 HydrophobicContact CB-CD1 3.85Å; V306-L320 HydrophobicContact CG1-CD1 3.48Å; V306-L320 VanDerWaalsContact CG1-CD1 3.48Å; V306-Y344 HydrophobicContact CG2-CD1 4.31Å; V306-Y344 HydrophobicContact CG2-CE1 3.92Å; V306-I347 HydrophobicContact CG2-CD1 4.22Å; V306-A377 HydrophobicContact CG1-CB 4.2Å; V306-I379 HydrophobicContact CG1-CG2 3.9Å; V306-I379 HydrophobicContact CG2-CG2 3.94Å
307	E	97.8	Very high	95.1	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.009	16%	0.157	C	C	.	.	H	α-helix	trans	-55.8	-49	176.7	-68.1	173.3	159.5	0	0	111.3	T286 K289 T303 N305 W310 S311 V318 S319 L320	T286-E307 WeakPolarHBondContact CB-OE2 3.43Å; T286-E307 HydrophobicContact CG2-CB 4.14Å; T286-E307 VanDerWaalsContact CG2-CD 3.48Å; T286-E307 HydrophobicContact CG2-CG 4.16Å; T286-E307 VanDerWaalsContact CG2-OE2 3.23Å; T286-E307 WeakPolarHBondContact CG2-OE2 3.16Å; T286-E307 PolarHBondContact OG1-OE2 2.8Å; K289-E307 IonicContact NZ-OE1 3Å; K289-E307 PolarHBondContact NZ-OE1 2.87Å; T303-E307 VanDerWaalsContact O-CB 3.31Å; T303-E307 WeakPolarHBondContact O-CB 3.24Å; T303-E307 WeakPolarHBondContact O-CG 3.18Å; T303-E307 PolarHBondContact O-N 2.8Å; N305-E307 PolarHBondContact O-N 3.41Å; E307-W310 PolarHBondContact O-N 3.18Å; E307-S311 PolarHBondContact O-N 3.03Å; E307-V318 VanDerWaalsContact CG-O 3.22Å; E307-V318 WeakPolarHBondContact CG-O 3.44Å; E307-S319 VanDerWaalsContact OE1-CA 3.26Å; E307-S319 WeakPolarHBondContact OE1-CA 3.4Å; E307-S319 PolarHBondContact OE1-OG 3.42Å; E307-L320 HydrophobicContact CG-CB 4.1Å; E307-L320 HydrophobicContact CG-CD1 3.81Å; E307-L320 HydrophobicContact CG-CG 3.78Å; E307-L320 PolarHBondContact OE1-N 3.15Å
308	G	95.8	Very high	95.1	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-68.6	-45.5	-178.4	0	0	0	0	0	113.4	A284 A304 N305 V306 W310 S311 I312	A284-G308 WeakPolarHBondContact O-CA 3.28Å; A304-G308 PolarHBondContact O-N 3.32Å; N305-G308 PolarHBondContact O-N 2.74Å; V306-G308 PolarHBondContact O-N 2.86Å; G308-W310 VanDerWaalsContact C-N 3.32Å; G308-W310 PolarHBondContact O-N 2.88Å; G308-S311 PolarHBondContact O-N 3.41Å; G308-I312 WeakPolarHBondContact O-CD1 3.38Å; G308-I312 WeakPolarHBondContact O-CG1 3.38Å; G308-I312 PolarHBondContact O-N 3.45Å; G308-I312 VanDerWaalsContact O-N 3.1Å
309	V	93.5	Very high	95.3	Very high	16 Å²	16	32.4 Å²	32.4	10%	0.097	18%	0.176	C	C	.	.	H	α-helix	trans	-65.2	-38.7	176.7	175.4	0	0	0	0	110.9	N305 V306 I312 K313	N305-V309 WeakPolarHBondContact O-CG2 3.39Å; N305-V309 PolarHBondContact O-N 3.01Å; V306-V309 PolarHBondContact O-N 3.38Å; V309-I312 PolarHBondContact O-N 3.23Å; V309-K313 HydrophobicContact CG1-CG 4.22Å; V309-K313 WeakPolarHBondContact O-CB 3.41Å; V309-K313 WeakPolarHBondContact O-CG 3.32Å; V309-K313 PolarHBondContact O-N 3.37Å
310	W	94.5	Very high	95.4	Very high	31 Å²	31	32.4 Å²	32.4	12%	0.117	18%	0.176	C	C	.	.	H	α-helix	trans	-61.6	-47.3	175.9	-172.3	-97.6	0	0	0	111.1	V306 E307 G308 I312 K313 K314 E316 V318 K376 A377 Y378	V306-W310 WeakPolarHBondContact O-CB 3.11Å; V306-W310 PolarHBondContact O-N 3.4Å; E307-W310 PolarHBondContact O-N 3.18Å; G308-W310 VanDerWaalsContact C-N 3.32Å; G308-W310 PolarHBondContact O-N 2.88Å; W310-I312 VanDerWaalsContact C-N 3.32Å; W310-I312 PolarHBondContact O-N 2.9Å; W310-K313 PolarHBondContact O-N 2.91Å; W310-K314 HydrophobicContact CD2-CB 4.32Å; W310-K314 HydrophobicContact CD2-CG 3.72Å; W310-K314 HydrophobicContact CE3-CG 3.96Å; W310-K314 HydrophobicContact CG-CB 4.48Å; W310-K314 HydrophobicContact CG-CG 4.29Å; W310-K314 HydrophobicContact CH2-CD 4.49Å; W310-K314 HydrophobicContact CH2-CG 4.08Å; W310-K314 HydrophobicContact CZ2-CB 4.47Å; W310-K314 HydrophobicContact CZ2-CG 3.85Å; W310-K314 HydrophobicContact CZ3-CG 4.13Å; W310-K314 WeakPolarHBondContact O-CA 3.44Å; W310-K314 VanDerWaalsContact O-CB 3.28Å; W310-K314 WeakPolarHBondContact O-CB 3.47Å; W310-K314 PolarHBondContact O-N 2.04Å; W310-E316 VanDerWaalsContact CD1-O 3.26Å; W310-V318 HydrophobicContact CG-CG2 4.34Å; W310-K376 VanDerWaalsContact CZ2-O 3.27Å; W310-K376 WeakPolarHBondContact CZ2-O 3.32Å; W310-A377 HydrophobicContact CD2-CB 3.64Å; W310-A377 HydrophobicContact CE3-CB 3.79Å; W310-A377 HydrophobicContact CG-CB 3.97Å; W310-A377 HydrophobicContact CZ2-CB 4.42Å; W310-A377 HydrophobicContact CZ3-CB 4.25Å; W310-Y378 AromaticContact CH2-CD1 3.58Å; W310-Y378 HydrophobicContact CH2-CD1 3.58Å; W310-Y378 AromaticContact CH2-CE1 3.52Å; W310-Y378 HydrophobicContact CH2-CE1 3.52Å; W310-Y378 HydrophobicContact CH2-CG 4.49Å; W310-Y378 AromaticContact CZ3-CD1 3.7Å; W310-Y378 HydrophobicContact CZ3-CD1 3.7Å; W310-Y378 AromaticContact CZ3-CE1 3.78Å; W310-Y378 HydrophobicContact CZ3-CE1 3.78Å; W310-Y378 HydrophobicContact CZ3-CG 4.2Å; W310-Y378 WeakPolarHBondContact CZ3-O 3.49Å
311	S	95.6	Very high	95.4	Very high	8 Å²	8	31.7 Å²	31.7	6%	0.056	17%	0.173	C	C	.	.	H	α-helix	trans	-56.6	-45.5	175.7	-175	0	0	0	0	112.3	N283 E307 G308 K313 G315 E316	N283-S311 WeakPolarHBondContact O-CB 3.36Å; N283-S311 PolarHBondContact O-OG 3.48Å; E307-S311 PolarHBondContact O-N 3.03Å; G308-S311 PolarHBondContact O-N 3.41Å; S311-K313 PolarHBondContact O-N 2.89Å; S311-G315 WeakPolarHBondContact O-CA 3.09Å; S311-G315 PolarHBondContact O-N 2.8Å; S311-E316 VanDerWaalsContact CA-O 3.27Å; S311-E316 WeakPolarHBondContact CA-O 3.39Å
312	I	93.4	Very high	95.6	Very high	55 Å²	55	31.7 Å²	31.7	28%	0.282	17%	0.173	S	C	.	.	H	α-helix	trans	-66.2	-39.1	-179.8	-67.1	162.1	0	0	0	112.2	W279 A284 G308 V309 W310 N399	W279-I312 HydrophobicContact CD2-CD1 4.14Å; W279-I312 HydrophobicContact CE3-CD1 3.85Å; W279-I312 HydrophobicContact CE3-CG1 4.25Å; W279-I312 HydrophobicContact CH2-CD1 3.5Å; W279-I312 VanDerWaalsContact CH2-CD1 3.5Å; W279-I312 HydrophobicContact CH2-CG1 3.99Å; W279-I312 HydrophobicContact CZ2-CD1 3.77Å; W279-I312 HydrophobicContact CZ3-CD1 3.54Å; W279-I312 HydrophobicContact CZ3-CG1 3.72Å; A284-I312 HydrophobicContact CB-CD1 4.02Å; A284-I312 HydrophobicContact CB-CG1 3.96Å; G308-I312 WeakPolarHBondContact O-CD1 3.38Å; G308-I312 WeakPolarHBondContact O-CG1 3.38Å; G308-I312 PolarHBondContact O-N 3.45Å; G308-I312 VanDerWaalsContact O-N 3.1Å; V309-I312 PolarHBondContact O-N 3.23Å; W310-I312 VanDerWaalsContact C-N 3.32Å; W310-I312 PolarHBondContact O-N 2.9Å; I312-N399 WeakPolarHBondContact CD1-O 3.26Å
313	K	91.2	Very high	95.7	Very high	137 Å²	137	31.7 Å²	31.7	60%	0.596	17%	0.173	S	C	*	.	H	α-helix	trans	-88	-27.7	-175.1	-65.8	-61.3	-176.9	-170.1	0	114.1	V309 W310 S311	V309-K313 HydrophobicContact CG1-CG 4.22Å; V309-K313 WeakPolarHBondContact O-CB 3.41Å; V309-K313 WeakPolarHBondContact O-CG 3.32Å; V309-K313 PolarHBondContact O-N 3.37Å; W310-K313 PolarHBondContact O-N 2.91Å; S311-K313 PolarHBondContact O-N 2.89Å
314	K	91.9	Very high	95.7	Very high	113 Å²	113	31.7 Å²	31.7	49%	0.491	17%	0.173	S	C	.	.	H	α-helix	trans	-114.5	-13.2	-174.1	-59.5	-62.5	-170.6	172.2	0	113.4	W310 E316	W310-K314 HydrophobicContact CD2-CB 4.32Å; W310-K314 HydrophobicContact CD2-CG 3.72Å; W310-K314 HydrophobicContact CE3-CG 3.96Å; W310-K314 HydrophobicContact CG-CB 4.48Å; W310-K314 HydrophobicContact CG-CG 4.29Å; W310-K314 HydrophobicContact CH2-CD 4.49Å; W310-K314 HydrophobicContact CH2-CG 4.08Å; W310-K314 HydrophobicContact CZ2-CB 4.47Å; W310-K314 HydrophobicContact CZ2-CG 3.85Å; W310-K314 HydrophobicContact CZ3-CG 4.13Å; W310-K314 WeakPolarHBondContact O-CA 3.44Å; W310-K314 VanDerWaalsContact O-CB 3.28Å; W310-K314 WeakPolarHBondContact O-CB 3.47Å; W310-K314 PolarHBondContact O-N 2.04Å; K314-E316 VanDerWaalsContact C-N 3.29Å
315	G	91.7	Very high	95.7	Very high	64 Å²	64	31.1 Å²	31.1	66%	0.66	17%	0.168	S	C	*	.	S	Bend	trans	76.7	14.4	-179.1	0	0	0	0	0	114	S311	S311-G315 WeakPolarHBondContact O-CA 3.09Å; S311-G315 PolarHBondContact O-N 2.8Å
316	E	92.4	Very high	95.8	Very high	109 Å²	109	31.1 Å²	31.1	51%	0.509	17%	0.168	S	C	.	.			trans	-129.5	116.7	-176.7	-172.5	-173.2	180	0	0	109.9	W310 S311 K314 V318	W310-E316 VanDerWaalsContact CD1-O 3.26Å; S311-E316 VanDerWaalsContact CA-O 3.27Å; S311-E316 WeakPolarHBondContact CA-O 3.39Å; K314-E316 VanDerWaalsContact C-N 3.29Å; E316-V318 HydrophobicContact CG-CG1 3.82Å; E316-V318 PolarHBondContact O-N 2.93Å
317	L	96.7	Very high	95.9	Very high	53 Å²	53	31.4 Å²	31.4	28%	0.277	17%	0.17	S	C	.	.			trans	-84.2	110	171.9	-175.6	64.2	0	0	0	108.9	N283 T286	N283-L317 WeakPolarHBondContact OD1-CD2 3.37Å; T286-L317 HydrophobicContact CG2-CD1 3.85Å; T286-L317 HydrophobicContact CG2-CD2 4.41Å; T286-L317 HydrophobicContact CG2-CG 4.03Å
318	V	95.8	Very high	95.9	Very high	13 Å²	13	31.5 Å²	31.5	8%	0.079	17%	0.171	C	C	.	.			trans	-106.4	148.9	176.3	-63	0	0	0	0	109.5	T286 E307 W310 E316 L320 A377	T286-V318 WeakPolarHBondContact CG2-O 3.32Å; E307-V318 VanDerWaalsContact CG-O 3.22Å; E307-V318 WeakPolarHBondContact CG-O 3.44Å; W310-V318 HydrophobicContact CG-CG2 4.34Å; E316-V318 HydrophobicContact CG-CG1 3.82Å; E316-V318 PolarHBondContact O-N 2.93Å; V318-L320 HydrophobicContact CB-CD2 4.47Å; V318-L320 HydrophobicContact CG2-CD1 4.44Å; V318-L320 HydrophobicContact CG2-CD2 3.72Å; V318-L320 HydrophobicContact CG2-CG 3.98Å; V318-A377 HydrophobicContact CG2-CB 4.28Å
319	S	98	Very high	95.8	Very high	47 Å²	47	31.6 Å²	31.6	33%	0.329	17%	0.171	S	C	.	.			trans	-99.9	124	166.4	-167.4	0	0	0	0	109.9	K289 E307 G355 E356	K289-S319 WeakPolarHBondContact CE-OG 3.39Å; K289-S319 PolarHBondContact NZ-OG 2.8Å; K289-S319 VanDerWaalsContact NZ-OG 3.17Å; E307-S319 VanDerWaalsContact OE1-CA 3.26Å; E307-S319 WeakPolarHBondContact OE1-CA 3.4Å; E307-S319 PolarHBondContact OE1-OG 3.42Å; S319-G355 CarbonylContact O-C 3.54Å; S319-G355 VanDerWaalsContact O-CA 3.25Å; S319-G355 WeakPolarHBondContact O-CA 3.15Å; S319-E356 PolarHBondContact O-N 3.12Å
320	L	98.3	Very high	95.8	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-104	155.1	-170.3	-62.2	174	0	0	0	112	K289 T303 V306 E307 V318 E322 L353 E354 K376 A377	K289-L320 PolarHBondContact NZ-O 3.31Å; T303-L320 HydrophobicContact CG2-CB 4.1Å; V306-L320 HydrophobicContact CB-CD1 3.85Å; V306-L320 HydrophobicContact CG1-CD1 3.48Å; V306-L320 VanDerWaalsContact CG1-CD1 3.48Å; E307-L320 HydrophobicContact CG-CB 4.1Å; E307-L320 HydrophobicContact CG-CD1 3.81Å; E307-L320 HydrophobicContact CG-CG 3.78Å; E307-L320 PolarHBondContact OE1-N 3.15Å; V318-L320 HydrophobicContact CB-CD2 4.47Å; V318-L320 HydrophobicContact CG2-CD1 4.44Å; V318-L320 HydrophobicContact CG2-CD2 3.72Å; V318-L320 HydrophobicContact CG2-CG 3.98Å; L320-E322 PolarHBondContact O-N 2.96Å; L320-L353 HydrophobicContact CB-CB 4.42Å; L320-L353 HydrophobicContact CB-CD1 4.25Å; L320-L353 HydrophobicContact CD1-CB 4.43Å; L320-L353 HydrophobicContact CD1-CD1 3.98Å; L320-L353 HydrophobicContact CD2-CB 4.12Å; L320-E354 WeakPolarHBondContact CA-O 3.44Å; L320-K376 HydrophobicContact CD2-CB 4.05Å; L320-A377 HydrophobicContact CD1-CB 3.83Å; L320-A377 HydrophobicContact CD2-CB 3.75Å; L320-A377 HydrophobicContact CG-CB 4.42Å
321	S	98.3	Very high	95.7	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.203	C	C	.	.			trans	-77.2	114.8	-176.5	-179.1	0	0	0	0	113	Q323 E324 E354 Y359	S321-Q323 VanDerWaalsContact C-N 3.3Å; S321-Q323 PolarHBondContact OG-N 3.33Å; S321-E324 PolarHBondContact OG-N 3.36Å; S321-E354 PolarHBondContact N-O 2.8Å; S321-Y359 VanDerWaalsContact CB-O 3.31Å; S321-Y359 WeakPolarHBondContact CB-O 3.34Å; S321-Y359 WeakPolarHBondContact OG-CB 3.35Å; S321-Y359 PolarHBondContact OG-O 3.25Å
322	E	98.5	Very high	95.5	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.009	20%	0.202	C	C	.	.	H	α-helix	trans	-72.4	-27.7	164.7	-67.2	82.5	-161.7	0	0	112.2	K289 A299 F300 T303 L320 E324 L325 V326 Y361	K289-E322 WeakPolarHBondContact CD-OE1 3.32Å; K289-E322 WeakPolarHBondContact CD-OE2 3.4Å; K289-E322 WeakPolarHBondContact CE-OE1 3.35Å; K289-E322 IonicContact NZ-OE1 2.66Å; K289-E322 PolarHBondContact NZ-OE1 2.84Å; K289-E322 IonicContact NZ-OE2 2.72Å; K289-E322 PolarHBondContact NZ-OE2 3.21Å; A299-E322 HydrophobicContact CB-CB 4.11Å; A299-E322 HydrophobicContact CB-CG 4.33Å; F300-E322 HydrophobicContact CB-CG 4.36Å; F300-E322 HydrophobicContact CD1-CG 3.54Å; F300-E322 HydrophobicContact CD2-CB 4.5Å; F300-E322 HydrophobicContact CD2-CG 4.02Å; F300-E322 HydrophobicContact CE1-CB 4.27Å; F300-E322 VanDerWaalsContact CE1-CD 3.44Å; F300-E322 HydrophobicContact CE1-CG 3.62Å; F300-E322 WeakPolarHBondContact CE1-OE2 3.26Å; F300-E322 HydrophobicContact CE2-CB 4.2Å; F300-E322 HydrophobicContact CE2-CG 4.09Å; F300-E322 HydrophobicContact CG-CG 3.74Å; F300-E322 HydrophobicContact CZ-CB 4.09Å; F300-E322 HydrophobicContact CZ-CG 3.91Å; T303-E322 VanDerWaalsContact CB-OE1 3.31Å; T303-E322 WeakPolarHBondContact CB-OE1 2.89Å; T303-E322 HydrophobicContact CG2-CG 3.83Å; T303-E322 PolarHBondContact OG1-OE1 3.43Å; L320-E322 PolarHBondContact O-N 2.96Å; E322-E324 VanDerWaalsContact C-N 3.32Å; E322-E324 PolarHBondContact O-N 3.16Å; E322-L325 PolarHBondContact O-N 2.94Å; E322-V326 WeakPolarHBondContact O-CG2 3.08Å; E322-V326 PolarHBondContact O-N 2.87Å; E322-Y361 HydrophobicContact CB-CD2 3.83Å; E322-Y361 HydrophobicContact CB-CE2 4.1Å
323	Q	98.3	Very high	95.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-66.2	-37	-178.8	-168	62.7	47	0	0	111.8	S321 L325 V326 D327 Y359 Y361 L362 S364	S321-Q323 VanDerWaalsContact C-N 3.3Å; S321-Q323 PolarHBondContact OG-N 3.33Å; Q323-L325 VanDerWaalsContact C-N 3.32Å; Q323-L325 PolarHBondContact O-N 2.71Å; Q323-V326 PolarHBondContact O-N 2.82Å; Q323-D327 VanDerWaalsContact NE2-CG 3.26Å; Q323-D327 PolarHBondContact NE2-OD1 3.25Å; Q323-D327 PolarHBondContact NE2-OD2 2.75Å; Q323-D327 VanDerWaalsContact NE2-OD2 3.13Å; Q323-D327 WeakPolarHBondContact O-CB 3.25Å; Q323-D327 VanDerWaalsContact O-CG 3.31Å; Q323-D327 PolarHBondContact O-N 3.27Å; Q323-Y359 HydrophobicContact CB-CD1 3.76Å; Q323-Y359 HydrophobicContact CB-CE1 3.87Å; Q323-Y359 HydrophobicContact CG-CD1 3.73Å; Q323-Y359 HydrophobicContact CG-CE1 3.38Å; Q323-Y361 HydrophobicContact CB-CD2 4.36Å; Q323-L362 HydrophobicContact CG-CG 4.28Å; Q323-S364 PolarHBondContact NE2-O 2.85Å
324	E	98.3	Very high	95.5	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-56.2	-47.9	173	-175.4	-175.4	150.9	0	0	110.7	S321 E322 D327 C328 L353 E354 Y359 F370	S321-E324 PolarHBondContact OG-N 3.36Å; E322-E324 VanDerWaalsContact C-N 3.32Å; E322-E324 PolarHBondContact O-N 3.16Å; E324-D327 PolarHBondContact O-N 3.25Å; E324-C328 HydrophobicContact CG-CB 4.48Å; E324-C328 WeakPolarHBondContact O-CA 3.44Å; E324-C328 WeakPolarHBondContact O-CB 3.38Å; E324-C328 PolarHBondContact O-N 3.42Å; E324-C328 PolarHBondContact O-SG 3.13Å; E324-L353 HydrophobicContact CB-CD2 4.48Å; E324-L353 HydrophobicContact CG-CD2 4.32Å; E324-L353 WeakPolarHBondContact OE2-CA 3.23Å; E324-E354 WeakPolarHBondContact OE2-CB 3.32Å; E324-E354 PolarHBondContact OE2-N 3.28Å; E324-Y359 HydrophobicContact CB-CD2 3.86Å; E324-Y359 HydrophobicContact CB-CE2 4.07Å; E324-Y359 HydrophobicContact CB-CG 4.4Å; E324-Y359 HydrophobicContact CG-CD2 4.24Å; E324-Y359 HydrophobicContact CG-CE2 4.29Å; E324-F370 HydrophobicContact CG-CD2 4.08Å; E324-F370 WeakPolarHBondContact OE1-CD2 3.09Å; E324-F370 WeakPolarHBondContact OE1-CE2 3.47Å
325	L	97.9	Very high	95.4	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-62.2	-46.5	175.3	-67.3	177.6	0	0	0	111.4	W298 A299 T302 T303 E322 Q323 D327 D329 A343 I347 L353	W298-L325 HydrophobicContact CH2-CB 4.01Å; W298-L325 HydrophobicContact CZ3-CB 4.03Å; A299-L325 HydrophobicContact CB-CB 3.97Å; A299-L325 HydrophobicContact CB-CD1 4.04Å; T302-L325 HydrophobicContact CG2-CD1 3.8Å; T303-L325 HydrophobicContact CG2-CD1 4.1Å; E322-L325 PolarHBondContact O-N 2.94Å; Q323-L325 VanDerWaalsContact C-N 3.32Å; Q323-L325 PolarHBondContact O-N 2.71Å; L325-D327 PolarHBondContact O-N 3.35Å; L325-D329 WeakPolarHBondContact O-CB 3.15Å; L325-D329 PolarHBondContact O-N 2.84Å; L325-A343 HydrophobicContact CD1-CB 4.48Å; L325-A343 HydrophobicContact CD2-CB 4.43Å; L325-I347 HydrophobicContact CD2-CD1 4.13Å; L325-I347 HydrophobicContact CD2-CG1 3.73Å; L325-L353 HydrophobicContact CD2-CD2 3.86Å; L325-L353 HydrophobicContact CG-CD2 3.98Å
326	V	97.3	Very high	95.3	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-58.6	-35.2	179.6	169.5	0	0	0	0	112.6	A299 E322 Q323 Y361 R365	A299-V326 HydrophobicContact CB-CG2 4.34Å; E322-V326 WeakPolarHBondContact O-CG2 3.08Å; E322-V326 PolarHBondContact O-N 2.87Å; Q323-V326 PolarHBondContact O-N 2.82Å; V326-Y361 HydrophobicContact CG2-CE2 4.39Å; V326-R365 HydrophobicContact CG1-CB 4.27Å
327	D	98	Very high	95	Very high	9 Å²	9	24.8 Å²	24.8	5%	0.048	14%	0.139	C	C	.	.	H	α-helix	trans	-94	-36.3	-174.8	-67.1	-15	0	0	0	113.7	Q323 E324 L325 Y359 S366 C368	Q323-D327 VanDerWaalsContact NE2-CG 3.26Å; Q323-D327 PolarHBondContact NE2-OD1 3.25Å; Q323-D327 PolarHBondContact NE2-OD2 2.75Å; Q323-D327 VanDerWaalsContact NE2-OD2 3.13Å; Q323-D327 WeakPolarHBondContact O-CB 3.25Å; Q323-D327 VanDerWaalsContact O-CG 3.31Å; Q323-D327 PolarHBondContact O-N 3.27Å; E324-D327 PolarHBondContact O-N 3.25Å; L325-D327 PolarHBondContact O-N 3.35Å; D327-Y359 VanDerWaalsContact CB-OH 3.32Å; D327-Y359 WeakPolarHBondContact CB-OH 3.37Å; D327-Y359 PolarHBondContact OD2-OH 3.48Å; D327-S366 PolarHBondContact OD1-N 2.98Å; D327-C368 HydrophobicContact CB-CB 4.39Å
328	C	97.7	Very high	94.7	Very high	5 Å²	5	22.2 Å²	22.2	3%	0.034	13%	0.126	C	C	.	.	H	α-helix	trans	-106.4	-16.9	-167.6	-57.2	0	0	0	0	114.4	E324 T330 R349 L350 C368	E324-C328 HydrophobicContact CG-CB 4.48Å; E324-C328 WeakPolarHBondContact O-CA 3.44Å; E324-C328 WeakPolarHBondContact O-CB 3.38Å; E324-C328 PolarHBondContact O-N 3.42Å; E324-C328 PolarHBondContact O-SG 3.13Å; C328-T330 PolarHBondContact O-N 2.99Å; C328-R349 PolarHBondContact O-NH2 3.44Å; C328-L350 HydrophobicContact CB-CD1 3.95Å; C328-L350 HydrophobicContact CB-CD2 4.35Å; C328-C368 HydrophobicContact CB-CB 3.9Å; C328-C368 WeakPolarHBondContact CB-SG 3.24Å; C328-C368 VanDerWaalsContact SG-CA 3.52Å; C328-C368 WeakPolarHBondContact SG-CB 3.14Å; C328-C368 CovalentContact SG-SG 2.03Å; C328-C368 PolarHBondContact SG-SG 3.3Å
329	D	95.3	Very high	94.3	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.011	12%	0.122	C	C	.	.			trans	-65.7	121.6	171.7	-170.2	-43.9	0	0	0	109.5	W298 L325 L331 D332 A343 E346	W298-D329 HydrophobicContact CH2-CB 3.85Å; W298-D329 HydrophobicContact CZ3-CB 4.37Å; L325-D329 WeakPolarHBondContact O-CB 3.15Å; L325-D329 PolarHBondContact O-N 2.84Å; D329-L331 WeakPolarHBondContact OD1-CA 3.3Å; D329-L331 WeakPolarHBondContact OD1-CB 3.42Å; D329-L331 PolarHBondContact OD1-N 3.01Å; D329-D332 PolarHBondContact OD1-N 3.19Å; D329-A343 VanDerWaalsContact OD2-CA 3.29Å; D329-A343 WeakPolarHBondContact OD2-CA 3.2Å; D329-E346 HydrophobicContact CB-CB 4.41Å; D329-E346 HydrophobicContact CB-CG 4.25Å; D329-E346 WeakPolarHBondContact OD1-CG 3.09Å
330	T	92.9	Very high	93.9	Very high	100 Å²	100	19.6 Å²	19.6	61%	0.613	11%	0.107	S	C	*	.	S	Bend	trans	-99.7	-4	-179.9	60.2	0	0	0	0	113.8	C328 E346	C328-T330 PolarHBondContact O-N 2.99Å; T330-E346 PolarHBondContact N-OE2 2.75Å; T330-E346 PolarHBondContact OG1-OE2 2.82Å
331	L	91.4	Very high	93.2	Very high	50 Å²	50	19.6 Å²	19.6	26%	0.262	11%	0.107	S	C	.	.	S	Bend	trans	-97.9	-28.9	178.8	-61.4	-178.4	0	0	0	112.5	F261 D329 N342 K345 E346	F261-L331 HydrophobicContact CD2-CD1 4.29Å; F261-L331 HydrophobicContact CE2-CD1 3.51Å; F261-L331 HydrophobicContact CE2-CD2 3.99Å; F261-L331 HydrophobicContact CE2-CG 4.41Å; F261-L331 HydrophobicContact CZ-CD1 3.97Å; F261-L331 HydrophobicContact CZ-CD2 4.32Å; D329-L331 WeakPolarHBondContact OD1-CA 3.3Å; D329-L331 WeakPolarHBondContact OD1-CB 3.42Å; D329-L331 PolarHBondContact OD1-N 3.01Å; L331-N342 HydrophobicContact CB-CB 3.89Å; L331-N342 HydrophobicContact CD1-CB 4.23Å; L331-K345 HydrophobicContact CD1-CB 4.19Å; L331-E346 HydrophobicContact CB-CG 4.28Å; L331-E346 HydrophobicContact CD1-CG 3.92Å; L331-E346 HydrophobicContact CG-CG 3.86Å
332	D	91.6	Very high	92.8	Very high	7 Å²	7	19.8 Å²	19.8	4%	0.037	11%	0.108	C	C	.	.	S	Bend	trans	-106	172.2	177.9	-73.2	-30.7	0	0	0	112.1	W298 D329 G338 L339 N342	W298-D332 HydrophobicContact CH2-CB 3.88Å; W298-D332 HydrophobicContact CZ2-CB 3.93Å; W298-D332 HydrophobicContact CZ3-CB 4.19Å; W298-D332 WeakPolarHBondContact CZ3-OD2 3.27Å; D329-D332 PolarHBondContact OD1-N 3.19Å; D332-G338 WeakPolarHBondContact OD1-CA 3.3Å; D332-G338 WeakPolarHBondContact OD2-CA 2.92Å; D332-L339 PolarHBondContact OD1-N 3Å; D332-L339 PolarHBondContact OD2-N 3.38Å; D332-L339 VanDerWaalsContact OD2-O 3.11Å; D332-N342 WeakPolarHBondContact OD1-CB 3.22Å; D332-N342 PolarHBondContact OD1-ND2 3.24Å; D332-N342 WeakPolarHBondContact OD2-CB 3.25Å
333	E	92.3	Very high	92.5	Very high	102 Å²	102	19.7 Å²	19.7	48%	0.477	11%	0.108	S	C	.	.			trans	-111.3	26.9	-167.1	-64.5	-75.1	-168.9	0	0	112.9	C335 N336 G337 R365	E333-C335 PolarHBondContact O-N 2.91Å; E333-N336 HydrophobicContact CB-CB 3.9Å; E333-N336 WeakPolarHBondContact O-CB 3.39Å; E333-N336 PolarHBondContact O-N 2.95Å; E333-G337 WeakPolarHBondContact CA-O 3.25Å; E333-G337 PolarHBondContact N-O 2.82Å; E333-R365 IonicContact OE2-NH1 3.32Å
334	G	93	Very high	92.2	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.01	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	58.7	-121.6	179.3	0	0	0	0	0	112	W298 N336 G337	W298-G334 PolarHBondContact NE1-O 3.48Å; G334-N336 PolarHBondContact O-N 3.02Å; G334-G337 PolarHBondContact O-N 3.02Å
335	C	90.6	Very high	91.8	Very high	27 Å²	27	21.5 Å²	21.5	18%	0.182	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-70.1	-11.8	176.4	-66.6	0	0	0	0	114.7	C294 G295 E333	C294-C335 HydrophobicContact CB-CB 3.93Å; C294-C335 WeakPolarHBondContact CB-SG 3.24Å; C294-C335 WeakPolarHBondContact SG-CA 3.08Å; C294-C335 WeakPolarHBondContact SG-CB 3.44Å; C294-C335 CovalentContact SG-SG 2.03Å; C294-C335 PolarHBondContact SG-SG 3.3Å; G295-C335 WeakPolarHBondContact CA-O 3.34Å; G295-C335 PolarHBondContact N-O 3.25Å; E333-C335 PolarHBondContact O-N 2.91Å
336	N	87.8	Confident	91.6	Very high	102 Å²	102	21.9 Å²	21.9	55%	0.545	12%	0.117	S	C	.	.	G	3₁₀ helix	trans	-87.8	6.4	174.8	-61.4	-46.5	0	0	0	112.4	P253 E333 G334	P253-N336 VanDerWaalsContact CD-O 3.26Å; P253-N336 WeakPolarHBondContact CD-O 3.5Å; P253-N336 WeakPolarHBondContact CG-O 3.36Å; E333-N336 HydrophobicContact CB-CB 3.9Å; E333-N336 WeakPolarHBondContact O-CB 3.39Å; E333-N336 PolarHBondContact O-N 2.95Å; G334-N336 PolarHBondContact O-N 3.02Å
337	G	88	Confident	91.5	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.118	C	C	.	.			trans	111.6	170.1	173.2	0	0	0	0	0	114.4	T252 E333 G334	T252-G337 WeakPolarHBondContact OG1-CA 3.4Å; E333-G337 WeakPolarHBondContact CA-O 3.25Å; E333-G337 PolarHBondContact N-O 2.82Å; G334-G337 PolarHBondContact O-N 3.02Å
338	G	89.3	Confident	91.2	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.129	C	C	.	.			trans	176.6	-173.4	-173.6	0	0	0	0	0	111.2	T252 W298 D332	T252-G338 PolarHBondContact OG1-N 3.27Å; T252-G338 VanDerWaalsContact OG1-N 3.13Å; W298-G338 VanDerWaalsContact CB-C 3.46Å; W298-G338 WeakPolarHBondContact CB-O 3.27Å; W298-G338 VanDerWaalsContact CG-C 3.49Å; D332-G338 WeakPolarHBondContact OD1-CA 3.3Å; D332-G338 WeakPolarHBondContact OD2-CA 2.92Å
339	L	88.3	Confident	91	Very high	2 Å²	2	30 Å²	30	1%	0.01	15%	0.15	C	C	.	.			trans	-139.4	141.3	178.6	-75.1	-176.5	0	0	0	111	W255 K256 R257 D332 W341 N342 A343	W255-L339 HydrophobicContact CB-CD2 4.35Å; W255-L339 HydrophobicContact CD2-CD2 3.28Å; W255-L339 HydrophobicContact CE3-CD2 3.67Å; W255-L339 HydrophobicContact CG-CD2 3.63Å; W255-L339 HydrophobicContact CH2-CD2 4.02Å; W255-L339 HydrophobicContact CZ2-CD2 3.67Å; W255-L339 HydrophobicContact CZ3-CD2 4.03Å; K256-L339 WeakPolarHBondContact O-CD1 3.23Å; R257-L339 HydrophobicContact CB-CD1 4.28Å; D332-L339 PolarHBondContact OD1-N 3Å; D332-L339 PolarHBondContact OD2-N 3.38Å; D332-L339 VanDerWaalsContact OD2-O 3.11Å; L339-W341 HydrophobicContact CB-CB 4.29Å; L339-W341 PolarHBondContact O-N 3.35Å; L339-N342 PolarHBondContact O-N 2.83Å; L339-A343 PolarHBondContact O-N 3.18Å; L339-A343 VanDerWaalsContact O-N 3.13Å
340	P	88.7	Confident	91	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.013	15%	0.152	C	C	.	.	H	α-helix	trans	-51.8	-33	171.7	-27.6	35.3	0	0	0	113.6	A301 T302 N342 A343 Y344 A403	A301-P340 HydrophobicContact CB-CG 4.02Å; T302-P340 VanDerWaalsContact OG1-CA 3.25Å; T302-P340 WeakPolarHBondContact OG1-CA 3.35Å; T302-P340 WeakPolarHBondContact OG1-CB 3.31Å; P340-N342 PolarHBondContact O-N 3.06Å; P340-A343 PolarHBondContact O-N 3.43Å; P340-Y344 HydrophobicContact CB-CE2 3.83Å; P340-Y344 WeakPolarHBondContact O-CD2 3.15Å; P340-Y344 WeakPolarHBondContact O-CE2 3.43Å; P340-Y344 VanDerWaalsContact O-CG 3.28Å; P340-Y344 PolarHBondContact O-N 3.3Å; P340-A403 HydrophobicContact CB-CB 4.12Å; P340-A403 HydrophobicContact CG-CB 4.21Å
341	W	84.9	Confident	91	Very high	1 Å²	1	27.9 Å²	27.9	0%	0.004	15%	0.145	C	C	.	.	H	α-helix	trans	-50.7	-52.4	174	-165.6	-79.8	0	0	0	113.6	R257 F261 A263 L339 E384 I497	R257-W341 HydrophobicContact CG-CD2 4.26Å; R257-W341 HydrophobicContact CG-CG 3.95Å; F261-W341 PolarHBondContact O-NE1 3.34Å; F261-W341 VanDerWaalsContact O-NE1 3.16Å; A263-W341 HydrophobicContact CB-CE3 4.48Å; A263-W341 HydrophobicContact CB-CH2 3.05Å; A263-W341 HydrophobicContact CB-CZ2 3.64Å; A263-W341 HydrophobicContact CB-CZ3 3.48Å; A263-W341 VanDerWaalsContact CB-CZ3 3.48Å; L339-W341 HydrophobicContact CB-CB 4.29Å; L339-W341 PolarHBondContact O-N 3.35Å; W341-E384 HydrophobicContact CH2-CB 4.47Å; W341-E384 HydrophobicContact CZ3-CB 3.97Å; W341-I497 HydrophobicContact CB-CD1 3.31Å; W341-I497 HydrophobicContact CD2-CD1 3.72Å; W341-I497 HydrophobicContact CD2-CG1 4.31Å; W341-I497 HydrophobicContact CE3-CB 4.38Å; W341-I497 HydrophobicContact CE3-CD1 3.13Å; W341-I497 HydrophobicContact CE3-CG1 3.31Å; W341-I497 HydrophobicContact CE3-CG2 4.18Å; W341-I497 HydrophobicContact CG-CD1 3.88Å; W341-I497 HydrophobicContact CZ3-CB 4.41Å; W341-I497 HydrophobicContact CZ3-CD1 3.93Å; W341-I497 HydrophobicContact CZ3-CG1 3.58Å; W341-I497 HydrophobicContact CZ3-CG2 3.99Å; W341-I497 VanDerWaalsContact N-CD1 3.34Å
342	N	88.3	Confident	91.2	Very high	4 Å²	4	25.5 Å²	25.5	2%	0.021	13%	0.133	C	C	.	.	H	α-helix	trans	-73.9	-42	-175.4	-62.9	-19.2	0	0	0	109.1	N258 L331 D332 L339 P340 Y344 K345 E346	N258-N342 PolarHBondContact N-OD1 3.29Å; L331-N342 HydrophobicContact CB-CB 3.89Å; L331-N342 HydrophobicContact CD1-CB 4.23Å; D332-N342 WeakPolarHBondContact OD1-CB 3.22Å; D332-N342 PolarHBondContact OD1-ND2 3.24Å; D332-N342 WeakPolarHBondContact OD2-CB 3.25Å; L339-N342 PolarHBondContact O-N 2.83Å; P340-N342 PolarHBondContact O-N 3.06Å; N342-Y344 VanDerWaalsContact C-N 3.34Å; N342-Y344 PolarHBondContact O-N 2.9Å; N342-K345 WeakPolarHBondContact O-CB 3.47Å; N342-K345 PolarHBondContact O-N 2.86Å; N342-E346 PolarHBondContact O-N 3.41Å
343	A	92.6	Very high	91.5	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-54.2	-44.6	176.4	0	0	0	0	0	113.2	W298 T302 L325 D329 L339 P340 K345 E346 I347	W298-A343 HydrophobicContact CE3-CB 3.84Å; W298-A343 HydrophobicContact CZ3-CB 3.66Å; T302-A343 HydrophobicContact CG2-CB 3.76Å; T302-A343 WeakPolarHBondContact OG1-CB 3.44Å; L325-A343 HydrophobicContact CD1-CB 4.48Å; L325-A343 HydrophobicContact CD2-CB 4.43Å; D329-A343 VanDerWaalsContact OD2-CA 3.29Å; D329-A343 WeakPolarHBondContact OD2-CA 3.2Å; L339-A343 PolarHBondContact O-N 3.18Å; L339-A343 VanDerWaalsContact O-N 3.13Å; P340-A343 PolarHBondContact O-N 3.43Å; A343-K345 VanDerWaalsContact C-N 3.28Å; A343-K345 PolarHBondContact O-N 3.37Å; A343-E346 PolarHBondContact O-N 2.54Å; A343-E346 VanDerWaalsContact O-N 3.11Å; A343-I347 VanDerWaalsContact O-CG1 3.3Å; A343-I347 WeakPolarHBondContact O-CG1 3.09Å; A343-I347 PolarHBondContact O-N 2.91Å
344	Y	91.7	Very high	91.7	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-60.3	-38.7	177	-63.7	-50.2	0	0	0	112.4	T302 N305 V306 P340 N342 E346 I347 E348 I379 A403 I497 V499	T302-Y344 HydrophobicContact CG2-CD1 3.76Å; T302-Y344 HydrophobicContact CG2-CE1 3.54Å; N305-Y344 WeakPolarHBondContact CB-OH 3.29Å; N305-Y344 VanDerWaalsContact CG-OH 3.25Å; N305-Y344 PolarHBondContact OD1-OH 2.78Å; V306-Y344 HydrophobicContact CG2-CD1 4.31Å; V306-Y344 HydrophobicContact CG2-CE1 3.92Å; P340-Y344 HydrophobicContact CB-CE2 3.83Å; P340-Y344 WeakPolarHBondContact O-CD2 3.15Å; P340-Y344 WeakPolarHBondContact O-CE2 3.43Å; P340-Y344 VanDerWaalsContact O-CG 3.28Å; P340-Y344 PolarHBondContact O-N 3.3Å; N342-Y344 VanDerWaalsContact C-N 3.34Å; N342-Y344 PolarHBondContact O-N 2.9Å; Y344-E346 VanDerWaalsContact C-N 3.32Å; Y344-E346 PolarHBondContact O-N 2.81Å; Y344-I347 HydrophobicContact CD1-CD1 4.28Å; Y344-I347 PolarHBondContact O-N 3.01Å; Y344-E348 WeakPolarHBondContact O-CG 3.45Å; Y344-E348 PolarHBondContact O-N 3.07Å; Y344-I379 HydrophobicContact CD1-CD1 3.71Å; Y344-I379 HydrophobicContact CG-CD1 4.05Å; Y344-I379 WeakPolarHBondContact O-CD1 3.3Å; Y344-A403 VanDerWaalsContact OH-CB 3.29Å; Y344-A403 WeakPolarHBondContact OH-CB 3.12Å; Y344-I497 HydrophobicContact CD2-CB 4.26Å; Y344-I497 HydrophobicContact CD2-CG2 3.49Å; Y344-I497 VanDerWaalsContact CD2-CG2 3.49Å; Y344-I497 HydrophobicContact CE2-CB 3.75Å; Y344-I497 HydrophobicContact CE2-CG2 3.43Å; Y344-I497 VanDerWaalsContact CE2-CG2 3.43Å; Y344-I497 PolarHBondContact OH-O 2.84Å; Y344-V499 HydrophobicContact CD1-CG2 3.96Å; Y344-V499 HydrophobicContact CE1-CG2 3.85Å
345	K	90.4	Very high	91.9	Very high	37 Å²	37	20.6 Å²	20.6	16%	0.161	11%	0.11	C	C	.	.	H	α-helix	trans	-67.6	-34.7	176.3	-67	-69.4	159.1	-143.5	0	112	F261 L331 N342 A343 E348 R349 D381	F261-K345 HydrophobicContact CB-CG 4.47Å; F261-K345 HydrophobicContact CD1-CD 4.27Å; F261-K345 HydrophobicContact CD1-CG 4.22Å; F261-K345 HydrophobicContact CG-CG 4.17Å; L331-K345 HydrophobicContact CD1-CB 4.19Å; N342-K345 WeakPolarHBondContact O-CB 3.47Å; N342-K345 PolarHBondContact O-N 2.86Å; A343-K345 VanDerWaalsContact C-N 3.28Å; A343-K345 PolarHBondContact O-N 3.37Å; K345-E348 IonicContact NZ-OE1 2.79Å; K345-E348 PolarHBondContact NZ-OE1 3.41Å; K345-E348 IonicContact NZ-OE2 2.72Å; K345-E348 PolarHBondContact NZ-OE2 3.47Å; K345-R349 WeakPolarHBondContact O-CB 3.45Å; K345-R349 PolarHBondContact O-N 2.94Å; K345-D381 IonicContact NZ-OD1 3.13Å; K345-D381 PolarHBondContact NZ-OD1 3.02Å; K345-D381 VanDerWaalsContact NZ-OD1 3.15Å
346	E	93.3	Very high	92.3	Very high	8 Å²	8	21.2 Å²	21.2	4%	0.037	11%	0.11	C	C	.	.	H	α-helix	trans	-71.3	-35.3	173.7	-71.7	-65.9	97.5	0	0	112.7	D329 T330 L331 N342 A343 Y344 R349 L350	D329-E346 HydrophobicContact CB-CB 4.41Å; D329-E346 HydrophobicContact CB-CG 4.25Å; D329-E346 WeakPolarHBondContact OD1-CG 3.09Å; T330-E346 PolarHBondContact N-OE2 2.75Å; T330-E346 PolarHBondContact OG1-OE2 2.82Å; L331-E346 HydrophobicContact CB-CG 4.28Å; L331-E346 HydrophobicContact CD1-CG 3.92Å; L331-E346 HydrophobicContact CG-CG 3.86Å; N342-E346 PolarHBondContact O-N 3.41Å; A343-E346 PolarHBondContact O-N 2.54Å; A343-E346 VanDerWaalsContact O-N 3.11Å; Y344-E346 VanDerWaalsContact C-N 3.32Å; Y344-E346 PolarHBondContact O-N 2.81Å; E346-R349 VanDerWaalsContact CD-NE 3.29Å; E346-R349 WeakPolarHBondContact O-CB 3.46Å; E346-R349 PolarHBondContact O-N 3.41Å; E346-R349 WeakPolarHBondContact OE1-CD 3.42Å; E346-R349 IonicContact OE1-CZ 3.66Å; E346-R349 IonicContact OE1-NE 2.82Å; E346-R349 PolarHBondContact OE1-NE 3.37Å; E346-R349 IonicContact OE2-CZ 3.18Å; E346-R349 VanDerWaalsContact OE2-CZ 3.29Å; E346-R349 IonicContact OE2-NE 3.5Å; E346-R349 PolarHBondContact OE2-NE 3.06Å; E346-R349 IonicContact OE2-NH2 3.76Å; E346-R349 PolarHBondContact OE2-NH2 2.91Å; E346-L350 WeakPolarHBondContact O-CB 3.45Å; E346-L350 VanDerWaalsContact O-CG 3.24Å; E346-L350 WeakPolarHBondContact O-CG 3.47Å; E346-L350 PolarHBondContact O-N 3.35Å
347	I	94.8	Very high	92.7	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.005	12%	0.119	C	C	.	.	H	α-helix	trans	-62.8	-44.6	173.3	-62.1	163.7	0	0	0	110.5	T302 V306 L325 A343 Y344 R349 L350 G351 G352 L353 I379	T302-I347 HydrophobicContact CG2-CD1 3.57Å; V306-I347 HydrophobicContact CG2-CD1 4.22Å; L325-I347 HydrophobicContact CD2-CD1 4.13Å; L325-I347 HydrophobicContact CD2-CG1 3.73Å; A343-I347 VanDerWaalsContact O-CG1 3.3Å; A343-I347 WeakPolarHBondContact O-CG1 3.09Å; A343-I347 PolarHBondContact O-N 2.91Å; Y344-I347 HydrophobicContact CD1-CD1 4.28Å; Y344-I347 PolarHBondContact O-N 3.01Å; I347-R349 VanDerWaalsContact C-N 3.29Å; I347-R349 PolarHBondContact O-N 2.97Å; I347-L350 PolarHBondContact O-N 3.3Å; I347-G351 PolarHBondContact O-N 3.1Å; I347-G352 PolarHBondContact O-N 2.9Å; I347-G352 VanDerWaalsContact O-N 3.16Å; I347-L353 HydrophobicContact CD1-CD1 3.65Å; I347-L353 HydrophobicContact CD1-CD2 4.42Å; I347-L353 HydrophobicContact CD1-CG 4.1Å; I347-L353 HydrophobicContact CG1-CD1 4.04Å; I347-L353 HydrophobicContact CG1-CD2 3.96Å; I347-L353 HydrophobicContact CG1-CG 3.91Å; I347-L353 HydrophobicContact CG2-CG 4.06Å; I347-I379 HydrophobicContact CB-CD1 4.17Å; I347-I379 HydrophobicContact CB-CG1 4Å; I347-I379 HydrophobicContact CG2-CD1 4.35Å; I347-I379 HydrophobicContact CG2-CG1 3.68Å
348	E	92.1	Very high	93.1	Very high	59 Å²	59	23.8 Å²	23.8	28%	0.276	13%	0.132	S	C	.	.	H	α-helix	trans	-56.4	-44.3	173.3	-71.2	168	-145.2	0	0	110.9	Y344 K345 I379 D381	Y344-E348 WeakPolarHBondContact O-CG 3.45Å; Y344-E348 PolarHBondContact O-N 3.07Å; K345-E348 IonicContact NZ-OE1 2.79Å; K345-E348 PolarHBondContact NZ-OE1 3.41Å; K345-E348 IonicContact NZ-OE2 2.72Å; K345-E348 PolarHBondContact NZ-OE2 3.47Å; E348-I379 HydrophobicContact CG-CD1 4.24Å; E348-I379 HydrophobicContact CG-CG1 4.07Å; E348-D381 VanDerWaalsContact OE1-CA 3.25Å; E348-D381 WeakPolarHBondContact OE1-CA 3.43Å
349	R	94.2	Very high	93.5	Very high	126 Å²	126	24.6 Å²	24.6	48%	0.475	14%	0.135	S	C	.	.	H	α-helix	trans	-67.8	-42.5	179.8	-171.2	-170.8	64.4	68	-0.8	113	C328 K345 E346 I347 G351	C328-R349 PolarHBondContact O-NH2 3.44Å; K345-R349 WeakPolarHBondContact O-CB 3.45Å; K345-R349 PolarHBondContact O-N 2.94Å; E346-R349 VanDerWaalsContact CD-NE 3.29Å; E346-R349 WeakPolarHBondContact O-CB 3.46Å; E346-R349 PolarHBondContact O-N 3.41Å; E346-R349 WeakPolarHBondContact OE1-CD 3.42Å; E346-R349 IonicContact OE1-CZ 3.66Å; E346-R349 IonicContact OE1-NE 2.82Å; E346-R349 PolarHBondContact OE1-NE 3.37Å; E346-R349 IonicContact OE2-CZ 3.18Å; E346-R349 VanDerWaalsContact OE2-CZ 3.29Å; E346-R349 IonicContact OE2-NE 3.5Å; E346-R349 PolarHBondContact OE2-NE 3.06Å; E346-R349 IonicContact OE2-NH2 3.76Å; E346-R349 PolarHBondContact OE2-NH2 2.91Å; I347-R349 VanDerWaalsContact C-N 3.29Å; I347-R349 PolarHBondContact O-N 2.97Å; R349-G351 VanDerWaalsContact C-N 3.3Å
350	L	94.9	Very high	93.9	Very high	11 Å²	11	27.6 Å²	27.6	6%	0.058	16%	0.157	C	C	.	.	H	α-helix	trans	-69.6	-32.3	-179.8	-71.4	170.3	0	0	0	111.3	C328 E346 I347 F370	C328-L350 HydrophobicContact CB-CD1 3.95Å; C328-L350 HydrophobicContact CB-CD2 4.35Å; E346-L350 WeakPolarHBondContact O-CB 3.45Å; E346-L350 VanDerWaalsContact O-CG 3.24Å; E346-L350 WeakPolarHBondContact O-CG 3.47Å; E346-L350 PolarHBondContact O-N 3.35Å; I347-L350 PolarHBondContact O-N 3.3Å; L350-F370 HydrophobicContact CB-CE1 4.13Å; L350-F370 HydrophobicContact CB-CZ 4.31Å; L350-F370 HydrophobicContact CD2-CD1 4.07Å; L350-F370 HydrophobicContact CD2-CE1 4.38Å; L350-F370 WeakPolarHBondContact O-CE1 3.12Å
351	G	93.2	Very high	94.3	Very high	46 Å²	46	28.6 Å²	28.6	47%	0.474	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	98	14.3	-179.1	0	0	0	0	0	113.7	I347 R349	I347-G351 PolarHBondContact O-N 3.1Å; R349-G351 VanDerWaalsContact C-N 3.3Å
352	G	94.8	Very high	94.6	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.183	C	C	.	.	S	Bend	trans	142.2	-169.8	179.1	0	0	0	0	0	113.2	I347 A377	I347-G352 PolarHBondContact O-N 2.9Å; I347-G352 VanDerWaalsContact O-N 3.16Å; G352-A377 CarbonylContact C-O 3.56Å; G352-A377 WeakPolarHBondContact CA-O 3.38Å
353	L	97.6	Very high	94.6	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	139.7	175.9	-72.5	174.7	0	0	0	110.2	T303 L320 E324 L325 I347 V375 K376 A377	T303-L353 HydrophobicContact CG2-CD1 4.35Å; L320-L353 HydrophobicContact CB-CB 4.42Å; L320-L353 HydrophobicContact CB-CD1 4.25Å; L320-L353 HydrophobicContact CD1-CB 4.43Å; L320-L353 HydrophobicContact CD1-CD1 3.98Å; L320-L353 HydrophobicContact CD2-CB 4.12Å; E324-L353 HydrophobicContact CB-CD2 4.48Å; E324-L353 HydrophobicContact CG-CD2 4.32Å; E324-L353 WeakPolarHBondContact OE2-CA 3.23Å; L325-L353 HydrophobicContact CD2-CD2 3.86Å; L325-L353 HydrophobicContact CG-CD2 3.98Å; I347-L353 HydrophobicContact CD1-CD1 3.65Å; I347-L353 HydrophobicContact CD1-CD2 4.42Å; I347-L353 HydrophobicContact CD1-CG 4.1Å; I347-L353 HydrophobicContact CG1-CD1 4.04Å; I347-L353 HydrophobicContact CG1-CD2 3.96Å; I347-L353 HydrophobicContact CG1-CG 3.91Å; I347-L353 HydrophobicContact CG2-CG 4.06Å; L353-V375 CarbonylContact O-C 3.52Å; L353-V375 WeakPolarHBondContact O-CA 3.47Å; L353-K376 PolarHBondContact O-N 3Å; L353-A377 PolarHBondContact N-O 3.08Å; L353-A377 PolarHBondContact O-N 2.7Å
354	E	98.1	Very high	94.5	Very high	3 Å²	3	36.2 Å²	36.2	1%	0.014	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	164	167.4	-65.1	-175.3	-121	0	0	111.9	L320 S321 E324 D358 F370 N371 K374	L320-E354 WeakPolarHBondContact CA-O 3.44Å; S321-E354 PolarHBondContact N-O 2.8Å; E324-E354 WeakPolarHBondContact OE2-CB 3.32Å; E324-E354 PolarHBondContact OE2-N 3.28Å; E354-D358 HydrophobicContact CB-CB 4.34Å; E354-F370 HydrophobicContact CG-CD2 4.06Å; E354-F370 HydrophobicContact CG-CE2 4.12Å; E354-F370 VanDerWaalsContact OE1-CA 3.3Å; E354-F370 WeakPolarHBondContact OE1-CA 3.14Å; E354-F370 WeakPolarHBondContact OE1-CD2 3.29Å; E354-N371 PolarHBondContact OE1-N 3.44Å; E354-K374 HydrophobicContact CB-CB 4.49Å; E354-K374 HydrophobicContact CG-CB 3.83Å; E354-K374 VanDerWaalsContact OE2-CB 3.23Å; E354-K374 WeakPolarHBondContact OE2-CB 3.37Å; E354-K374 WeakPolarHBondContact OE2-CD 3.43Å
355	G	97	Very high	94.4	Very high	3 Å²	3	41.9 Å²	41.9	3%	0.031	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-74.6	153.1	171.4	0	0	0	0	0	112.3	S319 S357 D358 Y359	S319-G355 CarbonylContact O-C 3.54Å; S319-G355 VanDerWaalsContact O-CA 3.25Å; S319-G355 WeakPolarHBondContact O-CA 3.15Å; G355-S357 PolarHBondContact O-N 3.4Å; G355-D358 WeakPolarHBondContact O-CA 3.23Å; G355-D358 WeakPolarHBondContact O-CB 3.39Å; G355-D358 PolarHBondContact O-N 2.82Å; G355-Y359 PolarHBondContact O-N 3.01Å
356	E	97.6	Very high	94.6	Very high	41 Å²	41	42.7 Å²	42.7	19%	0.192	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-33.5	176.7	-179.8	57.6	-151.4	0	0	112.6	K289 S319 D358 Y359 S360 Y361	K289-E356 IonicContact NZ-OE2 3.49Å; S319-E356 PolarHBondContact O-N 3.12Å; E356-D358 VanDerWaalsContact C-N 3.29Å; E356-D358 PolarHBondContact O-N 2.95Å; E356-Y359 CarbonylContact O-C 3.58Å; E356-S360 WeakPolarHBondContact O-CA 3.44Å; E356-S360 PolarHBondContact O-N 3.01Å; E356-S360 PolarHBondContact O-OG 2.77Å; E356-Y361 WeakPolarHBondContact OE1-CB 3.43Å; E356-Y361 PolarHBondContact OE1-N 2.87Å
357	S	96.4	Very high	94.7	Very high	105 Å²	105	52.4 Å²	52.4	73%	0.734	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-24.6	175.4	57.1	0	0	0	0	113.6	G355	G355-S357 PolarHBondContact O-N 3.4Å
358	D	97.2	Very high	94.8	Very high	50 Å²	50	55 Å²	55	27%	0.267	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-31.2	-177	-85.8	-53.6	0	0	0	112.2	E354 G355 E356 K374 K376	E354-D358 HydrophobicContact CB-CB 4.34Å; G355-D358 WeakPolarHBondContact O-CA 3.23Å; G355-D358 WeakPolarHBondContact O-CB 3.39Å; G355-D358 PolarHBondContact O-N 2.82Å; E356-D358 VanDerWaalsContact C-N 3.29Å; E356-D358 PolarHBondContact O-N 2.95Å; D358-K374 HydrophobicContact CB-CB 4.23Å; D358-K374 HydrophobicContact CB-CD 4Å; D358-K374 HydrophobicContact CB-CG 4.49Å; D358-K374 PolarHBondContact O-NZ 3.07Å; D358-K374 WeakPolarHBondContact OD1-CE 3.36Å; D358-K374 IonicContact OD1-NZ 2.73Å; D358-K374 PolarHBondContact OD1-NZ 3.2Å; D358-K376 WeakPolarHBondContact OD2-CE 3.28Å
359	Y	97.5	Very high	95	Very high	17 Å²	17	58.3 Å²	58.3	7%	0.067	31%	0.31	C	S	.	.	S	Bend	trans	-140.6	82.6	176.9	-162	-23.7	0	0	0	110	S321 Q323 E324 D327 G355 E356 R367 Q369	S321-Y359 VanDerWaalsContact CB-O 3.31Å; S321-Y359 WeakPolarHBondContact CB-O 3.34Å; S321-Y359 WeakPolarHBondContact OG-CB 3.35Å; S321-Y359 PolarHBondContact OG-O 3.25Å; Q323-Y359 HydrophobicContact CB-CD1 3.76Å; Q323-Y359 HydrophobicContact CB-CE1 3.87Å; Q323-Y359 HydrophobicContact CG-CD1 3.73Å; Q323-Y359 HydrophobicContact CG-CE1 3.38Å; E324-Y359 HydrophobicContact CB-CD2 3.86Å; E324-Y359 HydrophobicContact CB-CE2 4.07Å; E324-Y359 HydrophobicContact CB-CG 4.4Å; E324-Y359 HydrophobicContact CG-CD2 4.24Å; E324-Y359 HydrophobicContact CG-CE2 4.29Å; D327-Y359 VanDerWaalsContact CB-OH 3.32Å; D327-Y359 WeakPolarHBondContact CB-OH 3.37Å; D327-Y359 PolarHBondContact OD2-OH 3.48Å; G355-Y359 PolarHBondContact O-N 3.01Å; E356-Y359 CarbonylContact O-C 3.58Å; Y359-R367 PolarHBondContact OH-O 2.03Å; Y359-Q369 HydrophobicContact CE2-CB 4.02Å; Y359-Q369 PolarHBondContact OH-N 2.85Å
360	S	96.7	Very high	95.2	Very high	66 Å²	66	54.3 Å²	54.3	46%	0.462	30%	0.296	S	S	.	.			trans	-76.5	150.2	-169.1	-52.4	0	0	0	0	115.7	E356 L362	E356-S360 WeakPolarHBondContact O-CA 3.44Å; E356-S360 PolarHBondContact O-N 3.01Å; E356-S360 PolarHBondContact O-OG 2.77Å; S360-L362 PolarHBondContact O-N 2.87Å
361	Y	97.1	Very high	95.2	Very high	22 Å²	22	56.8 Å²	56.8	9%	0.086	31%	0.309	C	S	.	.			trans	-71	113.1	-176.6	-168.6	-104.5	0	0	0	115.2	Q291 K292 S296 F300 E322 Q323 V326 E356 G363	Q291-Y361 PolarHBondContact O-OH 3.3Å; K292-Y361 HydrophobicContact CD-CD1 4.41Å; K292-Y361 HydrophobicContact CD-CE1 4.23Å; K292-Y361 HydrophobicContact CG-CE1 4.43Å; K292-Y361 PolarHBondContact NZ-O 2.88Å; S296-Y361 PolarHBondContact OG-OH 2.74Å; F300-Y361 HydrophobicContact CE2-CD2 4.33Å; F300-Y361 HydrophobicContact CE2-CE1 4.06Å; F300-Y361 AromaticContact CE2-CE2 3.7Å; F300-Y361 HydrophobicContact CE2-CE2 3.7Å; F300-Y361 AromaticContact CE2-CZ 3.54Å; F300-Y361 AromaticContact CZ-CD1 3.94Å; F300-Y361 HydrophobicContact CZ-CD1 3.94Å; F300-Y361 AromaticContact CZ-CD2 3.95Å; F300-Y361 HydrophobicContact CZ-CD2 3.95Å; F300-Y361 AromaticContact CZ-CE1 3.76Å; F300-Y361 HydrophobicContact CZ-CE1 3.76Å; F300-Y361 AromaticContact CZ-CE2 3.75Å; F300-Y361 HydrophobicContact CZ-CE2 3.75Å; F300-Y361 HydrophobicContact CZ-CG 4.03Å; F300-Y361 AromaticContact CZ-CZ 3.66Å; E322-Y361 HydrophobicContact CB-CD2 3.83Å; E322-Y361 HydrophobicContact CB-CE2 4.1Å; Q323-Y361 HydrophobicContact CB-CD2 4.36Å; V326-Y361 HydrophobicContact CG2-CE2 4.39Å; E356-Y361 WeakPolarHBondContact OE1-CB 3.43Å; E356-Y361 PolarHBondContact OE1-N 2.87Å; Y361-G363 VanDerWaalsContact CE1-CA 3.48Å
362	L	92	Very high	95.3	Very high	91 Å²	91	63.4 Å²	63.4	48%	0.476	32%	0.32	S	S	.	.			trans	-84.6	-38.6	178.7	-56.4	179.2	0	0	0	111.6	K292 Q323 S360	K292-L362 PolarHBondContact NZ-O 3.13Å; Q323-L362 HydrophobicContact CG-CG 4.28Å; S360-L362 PolarHBondContact O-N 2.87Å
363	G	87.8	Confident	95.4	Very high	14 Å²	14	69.3 Å²	69.3	14%	0.144	36%	0.356	C	S	.	.	S	Bend	trans	84.9	24.5	-172	0	0	0	0	0	113.6	C294 Y361	C294-G363 WeakPolarHBondContact CB-O 3.34Å; Y361-G363 VanDerWaalsContact CE1-CA 3.48Å
364	S	90.4	Very high	95.3	Very high	61 Å²	61	72.6 Å²	72.6	43%	0.427	37%	0.37	S	S	.	.	S	Bend	trans	-157.3	148.9	176.4	58	0	0	0	0	109.3	Q323	Q323-S364 PolarHBondContact NE2-O 2.85Å
365	R	90.5	Very high	95.3	Very high	119 Å²	119	74.6 Å²	74.6	45%	0.449	38%	0.382	S	S	.	.			trans	-68	132.7	174.2	-169.9	174.7	-170.2	162.1	8.6	110.9	V326 E333	V326-R365 HydrophobicContact CG1-CB 4.27Å; E333-R365 IonicContact OE2-NH1 3.32Å
366	S	93.3	Very high	95.2	Very high	53 Å²	53	79.1 Å²	79.1	37%	0.371	40%	0.402	S	S	.	.			trans	-127.5	-172	174.3	-166.4	0	0	0	0	110.2	D327	D327-S366 PolarHBondContact OD1-N 2.98Å
367	R	95.7	Very high	95.1	Very high	213 Å²	213	77.2 Å²	77.2	80%	0.804	39%	0.393	S	S	*	.			trans	-73.9	132.8	171.3	-176.6	178.9	179.2	179.4	0.4	109.3	Y359 Q369	Y359-R367 PolarHBondContact OH-O 2.03Å; R367-Q369 WeakPolarHBondContact O-CG 3.47Å; R367-Q369 PolarHBondContact O-N 3.25Å
368	C	97.6	Very high	95	Very high	55 Å²	55	76.9 Å²	76.9	37%	0.372	38%	0.376	S	S	.	.			trans	-53.2	120.6	171.5	178.1	0	0	0	0	111.4	D327 C328	D327-C368 HydrophobicContact CB-CB 4.39Å; C328-C368 HydrophobicContact CB-CB 3.9Å; C328-C368 WeakPolarHBondContact CB-SG 3.24Å; C328-C368 VanDerWaalsContact SG-CA 3.52Å; C328-C368 WeakPolarHBondContact SG-CB 3.14Å; C328-C368 CovalentContact SG-SG 2.03Å; C328-C368 PolarHBondContact SG-SG 3.3Å
369	Q	96.2	Very high	94.6	Very high	129 Å²	129	75.2 Å²	75.2	60%	0.603	37%	0.367	S	S	*	.			trans	-116	19.8	-179.9	-75.7	171.4	81.1	0	0	112.6	Y359 R367 N371	Y359-Q369 HydrophobicContact CE2-CB 4.02Å; Y359-Q369 PolarHBondContact OH-N 2.85Å; R367-Q369 WeakPolarHBondContact O-CG 3.47Å; R367-Q369 PolarHBondContact O-N 3.25Å; Q369-N371 PolarHBondContact O-N 3.26Å
370	F	97.2	Very high	93.9	Very high	41 Å²	41	78.5 Å²	78.5	18%	0.18	39%	0.386	C	S	.	.			trans	-52	127.1	-176.3	175	-120.8	0	0	0	112.8	E324 L350 E354 R372 V375	E324-F370 HydrophobicContact CG-CD2 4.08Å; E324-F370 WeakPolarHBondContact OE1-CD2 3.09Å; E324-F370 WeakPolarHBondContact OE1-CE2 3.47Å; L350-F370 HydrophobicContact CB-CE1 4.13Å; L350-F370 HydrophobicContact CB-CZ 4.31Å; L350-F370 HydrophobicContact CD2-CD1 4.07Å; L350-F370 HydrophobicContact CD2-CE1 4.38Å; L350-F370 WeakPolarHBondContact O-CE1 3.12Å; E354-F370 HydrophobicContact CG-CD2 4.06Å; E354-F370 HydrophobicContact CG-CE2 4.12Å; E354-F370 VanDerWaalsContact OE1-CA 3.3Å; E354-F370 WeakPolarHBondContact OE1-CA 3.14Å; E354-F370 WeakPolarHBondContact OE1-CD2 3.29Å; F370-R372 HydrophobicContact CD1-CG 4.19Å; F370-R372 HydrophobicContact CE1-CB 4.45Å; F370-R372 HydrophobicContact CE1-CG 3.35Å; F370-R372 HydrophobicContact CZ-CB 4.5Å; F370-R372 HydrophobicContact CZ-CG 3.74Å; F370-V375 HydrophobicContact CE2-CG2 3.66Å; F370-V375 HydrophobicContact CZ-CG2 3.65Å
371	N	96.6	Very high	93.4	Very high	64 Å²	64	76 Å²	76	34%	0.342	37%	0.367	S	S	.	.			trans	-120.7	104.6	177.5	-177.4	-9	0	0	0	110.3	E354 Q369 T373 K374	E354-N371 PolarHBondContact OE1-N 3.44Å; Q369-N371 PolarHBondContact O-N 3.26Å; N371-T373 VanDerWaalsContact CG-OG1 3.27Å; N371-T373 PolarHBondContact ND2-OG1 3.21Å; N371-T373 PolarHBondContact O-N 2.94Å; N371-T373 WeakPolarHBondContact OD1-CB 3.33Å; N371-T373 PolarHBondContact OD1-N 3.31Å; N371-T373 PolarHBondContact OD1-OG1 3.23Å; N371-K374 HydrophobicContact CB-CD 4.12Å; N371-K374 PolarHBondContact O-N 3.07Å
372	R	94.9	Very high	92.8	Very high	184 Å²	184	75 Å²	75	69%	0.694	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-51.7	-26.9	178.4	-74.3	-177.3	169.7	178.6	-1.8	115	F370 K374 V375	F370-R372 HydrophobicContact CD1-CG 4.19Å; F370-R372 HydrophobicContact CE1-CB 4.45Å; F370-R372 HydrophobicContact CE1-CG 3.35Å; F370-R372 HydrophobicContact CZ-CB 4.5Å; F370-R372 HydrophobicContact CZ-CG 3.74Å; R372-K374 PolarHBondContact O-N 3.13Å; R372-V375 WeakPolarHBondContact O-CG2 3.36Å
373	T	95.9	Very high	92.5	Very high	124 Å²	124	70.7 Å²	70.7	76%	0.761	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-72.8	-13.2	179.8	66.3	0	0	0	0	113.7	N371	N371-T373 VanDerWaalsContact CG-OG1 3.27Å; N371-T373 PolarHBondContact ND2-OG1 3.21Å; N371-T373 PolarHBondContact O-N 2.94Å; N371-T373 WeakPolarHBondContact OD1-CB 3.33Å; N371-T373 PolarHBondContact OD1-N 3.31Å; N371-T373 PolarHBondContact OD1-OG1 3.23Å
374	K	96.5	Very high	92.3	Very high	70 Å²	70	71 Å²	71	30%	0.304	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-106.5	3.7	-178.1	-69.3	173.6	158.7	-131	0	113.5	E354 D358 N371 R372 K376	E354-K374 HydrophobicContact CB-CB 4.49Å; E354-K374 HydrophobicContact CG-CB 3.83Å; E354-K374 VanDerWaalsContact OE2-CB 3.23Å; E354-K374 WeakPolarHBondContact OE2-CB 3.37Å; E354-K374 WeakPolarHBondContact OE2-CD 3.43Å; D358-K374 HydrophobicContact CB-CB 4.23Å; D358-K374 HydrophobicContact CB-CD 4Å; D358-K374 HydrophobicContact CB-CG 4.49Å; D358-K374 PolarHBondContact O-NZ 3.07Å; D358-K374 WeakPolarHBondContact OD1-CE 3.36Å; D358-K374 IonicContact OD1-NZ 2.73Å; D358-K374 PolarHBondContact OD1-NZ 3.2Å; N371-K374 HydrophobicContact CB-CD 4.12Å; N371-K374 PolarHBondContact O-N 3.07Å; R372-K374 PolarHBondContact O-N 3.13Å; K374-K376 PolarHBondContact O-N 2.97Å
375	V	96.9	Very high	92	Very high	44 Å²	44	68.4 Å²	68.4	27%	0.267	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.8	128.3	177.4	170.4	0	0	0	0	110.4	L353 F370 R372 A377	L353-V375 CarbonylContact O-C 3.52Å; L353-V375 WeakPolarHBondContact O-CA 3.47Å; F370-V375 HydrophobicContact CE2-CG2 3.66Å; F370-V375 HydrophobicContact CZ-CG2 3.65Å; R372-V375 WeakPolarHBondContact O-CG2 3.36Å; V375-A377 WeakPolarHBondContact CG1-O 3.33Å
376	K	96	Very high	91.5	Very high	99 Å²	99	64.4 Å²	64.4	43%	0.43	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	-34.3	179.3	-61.1	-59.8	-177	177.4	0	112.8	W310 L320 L353 D358 K374	W310-K376 VanDerWaalsContact CZ2-O 3.27Å; W310-K376 WeakPolarHBondContact CZ2-O 3.32Å; L320-K376 HydrophobicContact CD2-CB 4.05Å; L353-K376 PolarHBondContact O-N 3Å; D358-K376 WeakPolarHBondContact OD2-CE 3.28Å; K374-K376 PolarHBondContact O-N 2.97Å
377	A	94.5	Very high	90.6	Very high	1 Å²	1	66 Å²	66	1%	0.008	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	154.5	178.7	0	0	0	0	0	111	V306 W310 V318 L320 G352 L353 V375	V306-A377 HydrophobicContact CG1-CB 4.2Å; W310-A377 HydrophobicContact CD2-CB 3.64Å; W310-A377 HydrophobicContact CE3-CB 3.79Å; W310-A377 HydrophobicContact CG-CB 3.97Å; W310-A377 HydrophobicContact CZ2-CB 4.42Å; W310-A377 HydrophobicContact CZ3-CB 4.25Å; V318-A377 HydrophobicContact CG2-CB 4.28Å; L320-A377 HydrophobicContact CD1-CB 3.83Å; L320-A377 HydrophobicContact CD2-CB 3.75Å; L320-A377 HydrophobicContact CG-CB 4.42Å; G352-A377 CarbonylContact C-O 3.56Å; G352-A377 WeakPolarHBondContact CA-O 3.38Å; L353-A377 PolarHBondContact N-O 3.08Å; L353-A377 PolarHBondContact O-N 2.7Å; V375-A377 WeakPolarHBondContact CG1-O 3.33Å
378	Y	93.8	Very high	89.9	Confident	98 Å²	98	59.3 Å²	59.3	38%	0.384	29%	0.291	S	S	.	.			trans	-140.2	158.8	172.7	67.6	-90.1	0	0	0	110.4	W310 N380	W310-Y378 AromaticContact CH2-CD1 3.58Å; W310-Y378 HydrophobicContact CH2-CD1 3.58Å; W310-Y378 AromaticContact CH2-CE1 3.52Å; W310-Y378 HydrophobicContact CH2-CE1 3.52Å; W310-Y378 HydrophobicContact CH2-CG 4.49Å; W310-Y378 AromaticContact CZ3-CD1 3.7Å; W310-Y378 HydrophobicContact CZ3-CD1 3.7Å; W310-Y378 AromaticContact CZ3-CE1 3.78Å; W310-Y378 HydrophobicContact CZ3-CE1 3.78Å; W310-Y378 HydrophobicContact CZ3-CG 4.2Å; W310-Y378 WeakPolarHBondContact CZ3-O 3.49Å; Y378-N380 WeakPolarHBondContact CE2-OD1 3.32Å
379	I	90.7	Very high	89.2	Confident	15 Å²	15	57.2 Å²	57.2	8%	0.077	28%	0.276	C	S	.	.			trans	-123.5	154.9	172.1	64.8	162.6	0	0	0	110.2	V306 Y344 I347 E348 V499	V306-I379 HydrophobicContact CG1-CG2 3.9Å; V306-I379 HydrophobicContact CG2-CG2 3.94Å; Y344-I379 HydrophobicContact CD1-CD1 3.71Å; Y344-I379 HydrophobicContact CG-CD1 4.05Å; Y344-I379 WeakPolarHBondContact O-CD1 3.3Å; I347-I379 HydrophobicContact CB-CD1 4.17Å; I347-I379 HydrophobicContact CB-CG1 4Å; I347-I379 HydrophobicContact CG2-CD1 4.35Å; I347-I379 HydrophobicContact CG2-CG1 3.68Å; E348-I379 HydrophobicContact CG-CD1 4.24Å; E348-I379 HydrophobicContact CG-CG1 4.07Å; I379-V499 HydrophobicContact CB-CG1 4.08Å; I379-V499 HydrophobicContact CD1-CG2 4.19Å; I379-V499 HydrophobicContact CG2-CG1 3.9Å; I379-V499 HydrophobicContact CG2-CG2 4.09Å
380	N	82.7	Confident	88.9	Confident	85 Å²	85	53.7 Å²	53.7	46%	0.455	26%	0.261	S	S	.	.	S	Bend	trans	-107.8	-27.2	-179.7	-67.4	-28.4	0	0	0	112.8	Y378 V501	Y378-N380 WeakPolarHBondContact CE2-OD1 3.32Å; N380-V501 HydrophobicContact CB-CG1 4.02Å
381	D	84.3	Confident	88.5	Confident	14 Å²	14	55.5 Å²	55.5	8%	0.075	27%	0.27	C	S	.	.			trans	-165.8	174.3	177.4	-167.6	19.7	0	0	0	110.5	K345 E348 V499 V500 A502 A503	K345-D381 IonicContact NZ-OD1 3.13Å; K345-D381 PolarHBondContact NZ-OD1 3.02Å; K345-D381 VanDerWaalsContact NZ-OD1 3.15Å; E348-D381 VanDerWaalsContact OE1-CA 3.25Å; E348-D381 WeakPolarHBondContact OE1-CA 3.43Å; D381-V499 WeakPolarHBondContact O-CG1 3.45Å; D381-V500 CarbonylContact C-O 3.56Å; D381-V500 VanDerWaalsContact CB-O 3.31Å; D381-V500 WeakPolarHBondContact CB-O 3.44Å; D381-A502 VanDerWaalsContact OD2-CA 3.3Å; D381-A502 WeakPolarHBondContact OD2-CA 3.35Å; D381-A503 PolarHBondContact OD2-N 2.69Å
382	S	85.8	Confident	88.1	Confident	1 Å²	1	52.5 Å²	52.5	1%	0.007	25%	0.254	C	S	.	.			trans	-137.7	152.4	173.7	53.3	0	0	0	0	111.8
383	V	85.5	Confident	88	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	152.3	-176.5	-46.8	0	0	0	0	111.8	K264 A266 I497 V498 V500	K264-V383 HydrophobicContact CB-CB 4.3Å; K264-V383 HydrophobicContact CB-CG1 3.94Å; K264-V383 HydrophobicContact CD-CG1 3.5Å; K264-V383 VanDerWaalsContact CD-CG1 3.5Å; K264-V383 HydrophobicContact CG-CB 4.2Å; K264-V383 HydrophobicContact CG-CG1 3.63Å; K264-V383 CarbonylContact O-C 2.9Å; K264-V383 WeakPolarHBondContact O-CA 3.5Å; K264-V383 WeakPolarHBondContact O-CB 3.36Å; A266-V383 HydrophobicContact CB-CB 4.24Å; A266-V383 HydrophobicContact CB-CG2 3.44Å; A266-V383 VanDerWaalsContact CB-CG2 3.44Å; V383-I497 CarbonylContact O-C 3.57Å; V383-I497 WeakPolarHBondContact O-CA 3.15Å; V383-I497 WeakPolarHBondContact O-CG2 3.27Å; V383-V498 WeakPolarHBondContact CA-O 3.33Å; V383-V498 HydrophobicContact CG2-CB 4.3Å; V383-V498 WeakPolarHBondContact CG2-O 3.33Å; V383-V498 PolarHBondContact N-O 3.03Å; V383-V498 PolarHBondContact O-N 3.26Å; V383-V498 VanDerWaalsContact O-O 3.12Å; V383-V500 HydrophobicContact CB-CB 4.49Å; V383-V500 HydrophobicContact CB-CG2 4.02Å; V383-V500 HydrophobicContact CG1-CB 3.35Å; V383-V500 HydrophobicContact CG1-CG1 4.44Å; V383-V500 HydrophobicContact CG1-CG2 3.33Å; V383-V500 HydrophobicContact CG2-CB 4.34Å; V383-V500 HydrophobicContact CG2-CG2 3.41Å; V383-V500 VanDerWaalsContact CG2-CG2 3.41Å
384	E	83.6	Confident	87.9	Confident	22 Å²	22	38.1 Å²	38.1	10%	0.103	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	129.3	172.6	-172.4	172.4	-140.7	0	0	110.2	R257 A263 K264 K265 A266 W341 G496	R257-E384 IonicContact CZ-OE1 2.68Å; R257-E384 IonicContact NH1-OE1 3.58Å; R257-E384 PolarHBondContact NH1-OE1 3.36Å; R257-E384 IonicContact NH1-OE2 3.93Å; R257-E384 IonicContact NH2-OE1 2.6Å; R257-E384 PolarHBondContact NH2-OE1 2.87Å; A263-E384 HydrophobicContact CB-CB 3.81Å; A263-E384 HydrophobicContact CB-CG 4.48Å; A263-E384 WeakPolarHBondContact CB-OE2 3.5Å; K264-E384 PolarHBondContact O-N 2.03Å; K265-E384 HydrophobicContact CD-CB 4.45Å; K265-E384 IonicContact NZ-OE2 2.98Å; K265-E384 PolarHBondContact NZ-OE2 3.38Å; A266-E384 WeakPolarHBondContact CB-O 3.46Å; A266-E384 PolarHBondContact N-O 3.03Å; W341-E384 HydrophobicContact CH2-CB 4.47Å; W341-E384 HydrophobicContact CZ3-CB 3.97Å; E384-G496 WeakPolarHBondContact CA-O 3.47Å
385	L	83.7	Confident	87.6	Confident	5 Å²	5	35 Å²	35	3%	0.026	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-74.7	154.4	170.1	-64.8	-175.1	0	0	0	111.6	A266 I392 Y395 V402 G496 V498	A266-L385 HydrophobicContact CB-CD2 3.64Å; L385-I392 HydrophobicContact CB-CG1 4.16Å; L385-I392 HydrophobicContact CD1-CB 4.36Å; L385-I392 HydrophobicContact CD1-CG1 3.96Å; L385-I392 HydrophobicContact CD1-CG2 4.02Å; L385-Y395 HydrophobicContact CD1-CG 4.45Å; L385-Y395 HydrophobicContact CD2-CD1 3.86Å; L385-Y395 HydrophobicContact CD2-CD2 3.37Å; L385-Y395 HydrophobicContact CD2-CE1 4.32Å; L385-Y395 HydrophobicContact CD2-CE2 3.8Å; L385-Y395 HydrophobicContact CD2-CG 3.38Å; L385-V402 HydrophobicContact CD1-CG1 3.72Å; L385-V402 HydrophobicContact CD1-CG2 4.16Å; L385-G496 PolarHBondContact N-O 2.77Å; L385-V498 HydrophobicContact CD1-CG2 3.54Å; L385-V498 HydrophobicContact CD2-CB 4.47Å; L385-V498 HydrophobicContact CD2-CG2 3.82Å; L385-V498 HydrophobicContact CG-CG2 3.59Å
386	P	80	Confident	87.5	Confident	35 Å²	35	32.9 Å²	32.9	23%	0.227	16%	0.161	C	C	.	.	P	Polyproline II helix	trans	-64.5	170.7	166.7	30.2	-37.6	0	0	0	111.2	I268 E391 I392	I268-P386 VanDerWaalsContact CD1-CD 3.46Å; I268-P386 HydrophobicContact CD1-CG 3.63Å; I268-P386 HydrophobicContact CG1-CG 4.04Å; P386-E391 WeakPolarHBondContact CB-OE2 3.29Å; P386-E391 HydrophobicContact CG-CB 3.59Å; P386-E391 HydrophobicContact CG-CG 4.41Å; P386-E391 WeakPolarHBondContact CG-OE2 3.38Å; P386-I392 WeakPolarHBondContact O-CD1 3.1Å
387	Q	74.2	Confident	87.5	Confident	86 Å²	86	29.6 Å²	29.6	40%	0.402	15%	0.147	S	C	.	.	S	Bend	trans	-83.3	-15	177.2	-71.7	-173.3	-17	0	0	113.2	E389 A490	Q387-E389 PolarHBondContact O-N 3.33Å; Q387-A490 WeakPolarHBondContact CB-O 3.11Å; Q387-A490 VanDerWaalsContact CG-O 3.24Å; Q387-A490 WeakPolarHBondContact CG-O 3.45Å; Q387-A490 WeakPolarHBondContact O-CA 3.34Å
388	D	82	Confident	87.5	Confident	73 Å²	73	31.4 Å²	31.4	39%	0.39	16%	0.162	S	C	.	.			trans	-72.3	124.4	-179	-175.7	-85.3	0	0	0	111.1	N390 E391 I392	D388-N390 VanDerWaalsContact C-N 3.33Å; D388-N390 PolarHBondContact O-N 2.97Å; D388-N390 WeakPolarHBondContact OD1-CA 3.35Å; D388-N390 VanDerWaalsContact OD1-CB 3.26Å; D388-N390 WeakPolarHBondContact OD1-CB 3.45Å; D388-N390 PolarHBondContact OD1-N 3Å; D388-N390 PolarHBondContact OD1-ND2 2.73Å; D388-E391 HydrophobicContact CB-CB 4.12Å; D388-E391 HydrophobicContact CB-CG 3.93Å; D388-E391 PolarHBondContact O-N 2.75Å; D388-E391 PolarHBondContact OD1-N 3.06Å; D388-I392 WeakPolarHBondContact O-CG1 3.45Å; D388-I392 PolarHBondContact O-N 3.01Å
389	E	83.1	Confident	87.4	Confident	11 Å²	11	28.3 Å²	28.3	5%	0.051	15%	0.152	C	C	.	.	H	α-helix	trans	-66.9	-30.5	-176.4	-71.3	-167.7	-156	0	0	113.6	Q387 I392 A393 W453 N473 G474 L475 I489	Q387-E389 PolarHBondContact O-N 3.33Å; E389-I392 PolarHBondContact O-N 2.77Å; E389-A393 WeakPolarHBondContact O-CB 3.48Å; E389-A393 PolarHBondContact O-N 3.09Å; E389-W453 HydrophobicContact CB-CZ2 4.05Å; E389-W453 HydrophobicContact CG-CZ2 4.35Å; E389-W453 PolarHBondContact OE2-NE1 3.28Å; E389-N473 WeakPolarHBondContact OE2-CA 3.2Å; E389-N473 WeakPolarHBondContact OE2-CB 3.03Å; E389-G474 PolarHBondContact OE2-N 3.24Å; E389-L475 VanDerWaalsContact C-CD2 3.48Å; E389-L475 HydrophobicContact CB-CD2 4.1Å; E389-L475 VanDerWaalsContact O-CD2 3.32Å; E389-L475 WeakPolarHBondContact O-CD2 3.44Å; E389-I489 HydrophobicContact CG-CG2 4.4Å; E389-I489 VanDerWaalsContact OE1-CB 3.3Å; E389-I489 WeakPolarHBondContact OE1-CB 3.47Å
390	N	88.1	Confident	87.5	Confident	55 Å²	55	27.6 Å²	27.6	29%	0.294	15%	0.148	S	C	.	.	H	α-helix	trans	-71.3	-38.4	176.5	-51.9	-72.2	0	0	0	110.6	L273 D388 I392 A393 A394 L475	L273-N390 HydrophobicContact CD1-CB 3.99Å; D388-N390 VanDerWaalsContact C-N 3.33Å; D388-N390 PolarHBondContact O-N 2.97Å; D388-N390 WeakPolarHBondContact OD1-CA 3.35Å; D388-N390 VanDerWaalsContact OD1-CB 3.26Å; D388-N390 WeakPolarHBondContact OD1-CB 3.45Å; D388-N390 PolarHBondContact OD1-N 3Å; D388-N390 PolarHBondContact OD1-ND2 2.73Å; N390-I392 VanDerWaalsContact C-N 3.32Å; N390-A393 PolarHBondContact O-N 2.93Å; N390-A394 WeakPolarHBondContact O-CB 3.47Å; N390-A394 PolarHBondContact O-N 3.15Å; N390-L475 HydrophobicContact CB-CD2 4.18Å; N390-L475 VanDerWaalsContact OD1-CD2 3.25Å; N390-L475 WeakPolarHBondContact OD1-CD2 3.43Å
391	E	89.4	Confident	88.2	Confident	80 Å²	80	23.6 Å²	23.6	37%	0.374	13%	0.127	S	C	.	.	H	α-helix	trans	-64.4	-38.7	174.3	-65.2	-175.5	170.4	0	0	111.4	I268 P386 D388 A394 Y395	I268-E391 HydrophobicContact CD1-CB 4.35Å; I268-E391 HydrophobicContact CG1-CB 4.23Å; I268-E391 HydrophobicContact CG2-CB 3.85Å; I268-E391 HydrophobicContact CG2-CG 4.06Å; P386-E391 WeakPolarHBondContact CB-OE2 3.29Å; P386-E391 HydrophobicContact CG-CB 3.59Å; P386-E391 HydrophobicContact CG-CG 4.41Å; P386-E391 WeakPolarHBondContact CG-OE2 3.38Å; D388-E391 HydrophobicContact CB-CB 4.12Å; D388-E391 HydrophobicContact CB-CG 3.93Å; D388-E391 PolarHBondContact O-N 2.75Å; D388-E391 PolarHBondContact OD1-N 3.06Å; E391-A394 PolarHBondContact O-N 3.32Å; E391-Y395 WeakPolarHBondContact O-CB 3.46Å; E391-Y395 PolarHBondContact O-N 3.13Å
392	I	89	Confident	88.6	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-66.2	-44	173.4	-66	163	0	0	0	111.1	L385 P386 D388 E389 N390 A394 Y395 V396 I437 W453 I493	L385-I392 HydrophobicContact CB-CG1 4.16Å; L385-I392 HydrophobicContact CD1-CB 4.36Å; L385-I392 HydrophobicContact CD1-CG1 3.96Å; L385-I392 HydrophobicContact CD1-CG2 4.02Å; P386-I392 WeakPolarHBondContact O-CD1 3.1Å; D388-I392 WeakPolarHBondContact O-CG1 3.45Å; D388-I392 PolarHBondContact O-N 3.01Å; E389-I392 PolarHBondContact O-N 2.77Å; N390-I392 VanDerWaalsContact C-N 3.32Å; I392-A394 VanDerWaalsContact C-N 3.25Å; I392-A394 PolarHBondContact O-N 3.31Å; I392-Y395 CarbonylContact O-C 3.49Å; I392-Y395 WeakPolarHBondContact O-CB 3.38Å; I392-Y395 PolarHBondContact O-N 3.16Å; I392-Y395 VanDerWaalsContact O-N 3.17Å; I392-V396 HydrophobicContact CG2-CG2 4.17Å; I392-V396 VanDerWaalsContact O-CG2 3.29Å; I392-V396 WeakPolarHBondContact O-CG2 3.45Å; I392-V396 PolarHBondContact O-N 3.21Å; I392-I437 HydrophobicContact CG2-CD1 4.4Å; I392-W453 HydrophobicContact CB-CH2 4.29Å; I392-W453 HydrophobicContact CG2-CH2 3.89Å; I392-W453 HydrophobicContact CG2-CZ2 4.34Å; I392-W453 HydrophobicContact CG2-CZ3 4.47Å; I392-I493 HydrophobicContact CD1-CB 4.16Å; I392-I493 HydrophobicContact CD1-CD1 3.2Å; I392-I493 HydrophobicContact CD1-CG1 4.12Å; I392-I493 HydrophobicContact CD1-CG2 3.72Å
393	A	91.8	Very high	88.8	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-60.5	-40.4	176.7	0	0	0	0	0	110.8	L273 E389 N390 Y395 V396 Q397 F440 W453 L475	L273-A393 HydrophobicContact CD1-CB 4.32Å; L273-A393 HydrophobicContact CD2-CB 3.77Å; E389-A393 WeakPolarHBondContact O-CB 3.48Å; E389-A393 PolarHBondContact O-N 3.09Å; N390-A393 PolarHBondContact O-N 2.93Å; A393-Y395 VanDerWaalsContact C-N 3.29Å; A393-Y395 PolarHBondContact O-N 2.84Å; A393-V396 PolarHBondContact O-N 3.44Å; A393-Q397 WeakPolarHBondContact O-CB 3.36Å; A393-Q397 PolarHBondContact O-N 2.89Å; A393-F440 HydrophobicContact CB-CD1 4.06Å; A393-F440 HydrophobicContact CB-CE1 3.86Å; A393-F440 HydrophobicContact CB-CZ 4.16Å; A393-F440 WeakPolarHBondContact O-CE1 3.28Å; A393-W453 HydrophobicContact CB-CH2 3.67Å; A393-W453 HydrophobicContact CB-CZ3 4.12Å; A393-L475 HydrophobicContact CB-CD1 3.94Å; A393-L475 HydrophobicContact CB-CD2 3.84Å
394	A	93.8	Very high	89	Confident	7 Å²	7	23.1 Å²	23.1	6%	0.058	12%	0.124	C	C	.	.	H	α-helix	trans	-65	-40.1	179	0	0	0	0	0	110.2	I268 V271 L273 N390 E391 I392 A398	I268-A394 HydrophobicContact CG2-CB 4.43Å; V271-A394 HydrophobicContact CG2-CB 3.81Å; L273-A394 VanDerWaalsContact CD2-CA 3.42Å; L273-A394 HydrophobicContact CD2-CB 3.83Å; L273-A394 VanDerWaalsContact CD2-N 3.3Å; N390-A394 WeakPolarHBondContact O-CB 3.47Å; N390-A394 PolarHBondContact O-N 3.15Å; E391-A394 PolarHBondContact O-N 3.32Å; I392-A394 VanDerWaalsContact C-N 3.25Å; I392-A394 PolarHBondContact O-N 3.31Å; A394-A398 VanDerWaalsContact O-CB 3.25Å; A394-A398 WeakPolarHBondContact O-CB 3.39Å; A394-A398 PolarHBondContact O-N 3.28Å; A394-A398 VanDerWaalsContact O-N 3.12Å
395	Y	91.6	Very high	89	Confident	4 Å²	4	22.1 Å²	22.1	2%	0.016	12%	0.12	C	C	.	.	H	α-helix	trans	-65.2	-49.3	174.3	-162.3	-72.4	0	0	0	112	A266 I268 L385 E391 I392 A393 Q397 A398 N399 V402 V498 V500	A266-Y395 HydrophobicContact CB-CD2 4.14Å; A266-Y395 HydrophobicContact CB-CE2 3.84Å; I268-Y395 HydrophobicContact CD1-CD2 4.28Å; L385-Y395 HydrophobicContact CD1-CG 4.45Å; L385-Y395 HydrophobicContact CD2-CD1 3.86Å; L385-Y395 HydrophobicContact CD2-CD2 3.37Å; L385-Y395 HydrophobicContact CD2-CE1 4.32Å; L385-Y395 HydrophobicContact CD2-CE2 3.8Å; L385-Y395 HydrophobicContact CD2-CG 3.38Å; E391-Y395 WeakPolarHBondContact O-CB 3.46Å; E391-Y395 PolarHBondContact O-N 3.13Å; I392-Y395 CarbonylContact O-C 3.49Å; I392-Y395 WeakPolarHBondContact O-CB 3.38Å; I392-Y395 PolarHBondContact O-N 3.16Å; I392-Y395 VanDerWaalsContact O-N 3.17Å; A393-Y395 VanDerWaalsContact C-N 3.29Å; A393-Y395 PolarHBondContact O-N 2.84Å; Y395-Q397 PolarHBondContact O-N 3.03Å; Y395-A398 PolarHBondContact O-N 3.42Å; Y395-N399 HydrophobicContact CD1-CB 3.85Å; Y395-N399 HydrophobicContact CE1-CB 3.34Å; Y395-N399 WeakPolarHBondContact O-CB 3.42Å; Y395-N399 PolarHBondContact O-N 2.76Å; Y395-N399 PolarHBondContact O-ND2 3.27Å; Y395-V402 HydrophobicContact CD1-CG2 4.26Å; Y395-V498 HydrophobicContact CD1-CB 4.21Å; Y395-V498 HydrophobicContact CD1-CG1 4.02Å; Y395-V498 HydrophobicContact CD1-CG2 3.92Å; Y395-V498 HydrophobicContact CE1-CB 3.47Å; Y395-V498 VanDerWaalsContact CE1-CB 3.47Å; Y395-V498 HydrophobicContact CE1-CG1 3.08Å; Y395-V498 HydrophobicContact CE1-CG2 3.7Å; Y395-V498 WeakPolarHBondContact OH-CG1 3.36Å; Y395-V500 HydrophobicContact CE2-CG2 4.44Å; Y395-V500 WeakPolarHBondContact OH-CG2 3.07Å
396	V	93.7	Very high	89.1	Confident	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-56	-51.5	178.4	169.8	0	0	0	0	109.7	W279 I392 A393 A398 G400 V402 I437 F440 W453	W279-V396 WeakPolarHBondContact CZ2-O 3.17Å; W279-V396 PolarHBondContact NE1-O 2.87Å; I392-V396 HydrophobicContact CG2-CG2 4.17Å; I392-V396 VanDerWaalsContact O-CG2 3.29Å; I392-V396 WeakPolarHBondContact O-CG2 3.45Å; I392-V396 PolarHBondContact O-N 3.21Å; A393-V396 PolarHBondContact O-N 3.44Å; V396-A398 VanDerWaalsContact C-N 3.29Å; V396-A398 PolarHBondContact O-N 3.45Å; V396-G400 WeakPolarHBondContact CA-O 3.2Å; V396-G400 PolarHBondContact O-N 2.5Å; V396-G400 VanDerWaalsContact O-N 3.08Å; V396-V402 HydrophobicContact CG2-CB 4.28Å; V396-V402 HydrophobicContact CG2-CG2 3.61Å; V396-I437 HydrophobicContact CG1-CG2 4.33Å; V396-I437 HydrophobicContact CG2-CG2 3.91Å; V396-F440 HydrophobicContact CB-CE1 4.49Å; V396-F440 HydrophobicContact CG1-CD1 4.34Å; V396-F440 HydrophobicContact CG1-CE1 4.4Å; V396-W453 HydrophobicContact CG2-CZ3 4.45Å
397	Q	95.4	Very high	89.1	Confident	30 Å²	30	21.7 Å²	21.7	14%	0.14	12%	0.115	C	C	.	.	H	α-helix	trans	-59.5	-38	-179.4	-175.8	179.8	-43.8	0	0	112.6	K272 W277 W279 A393 Y395 F440	K272-Q397 PolarHBondContact O-NE2 3.01Å; W277-Q397 HydrophobicContact CD2-CB 4.49Å; W277-Q397 HydrophobicContact CD2-CG 3.74Å; W277-Q397 HydrophobicContact CE3-CG 3.97Å; W277-Q397 HydrophobicContact CG-CB 4.28Å; W277-Q397 HydrophobicContact CG-CG 3.99Å; W277-Q397 HydrophobicContact CZ3-CG 4.49Å; W279-Q397 WeakPolarHBondContact CZ2-O 3.47Å; A393-Q397 WeakPolarHBondContact O-CB 3.36Å; A393-Q397 PolarHBondContact O-N 2.89Å; Y395-Q397 PolarHBondContact O-N 3.03Å; Q397-F440 HydrophobicContact CB-CE1 4.11Å; Q397-F440 HydrophobicContact CB-CZ 4.11Å
398	A	94.7	Very high	89.7	Confident	38 Å²	38	17.6 Å²	17.6	31%	0.314	10%	0.096	S	C	.	.	H	α-helix	trans	-89.3	-27.1	-174	0	0	0	0	0	114.6	P269 V271 A394 Y395 V396	P269-A398 HydrophobicContact CB-CB 3.81Å; P269-A398 HydrophobicContact CG-CB 3.66Å; V271-A398 HydrophobicContact CG1-CB 4.17Å; A394-A398 VanDerWaalsContact O-CB 3.25Å; A394-A398 WeakPolarHBondContact O-CB 3.39Å; A394-A398 PolarHBondContact O-N 3.28Å; A394-A398 VanDerWaalsContact O-N 3.12Å; Y395-A398 PolarHBondContact O-N 3.42Å; V396-A398 VanDerWaalsContact C-N 3.29Å; V396-A398 PolarHBondContact O-N 3.45Å
399	N	91.9	Very high	89.5	Confident	33 Å²	33	15.9 Å²	15.9	18%	0.176	9%	0.086	C	C	.	.	H	α-helix	trans	-125	-18.6	-167.1	-68.1	-70.8	0	0	0	115.4	P269 I312 Y395	P269-N399 WeakPolarHBondContact CG-ND2 3.43Å; I312-N399 WeakPolarHBondContact CD1-O 3.26Å; Y395-N399 HydrophobicContact CD1-CB 3.85Å; Y395-N399 HydrophobicContact CE1-CB 3.34Å; Y395-N399 WeakPolarHBondContact O-CB 3.42Å; Y395-N399 PolarHBondContact O-N 2.76Å; Y395-N399 PolarHBondContact O-ND2 3.27Å
400	G	94.1	Very high	89.3	Confident	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.084	C	C	.	.			trans	124.6	-174.8	179.7	0	0	0	0	0	115.4	W279 V396	W279-G400 VanDerWaalsContact CE2-CA 3.43Å; V396-G400 WeakPolarHBondContact CA-O 3.2Å; V396-G400 PolarHBondContact O-N 2.5Å; V396-G400 VanDerWaalsContact O-N 3.08Å
401	P	95.9	Very high	89.5	Confident	1 Å²	1	12.9 Å²	12.9	1%	0.006	7%	0.07	C	C	.	.			trans	-55.5	151.6	172.3	-26.7	36	0	0	0	113.5	W279 A284 V285 N305 I437 V438	W279-P401 HydrophobicContact CB-CG 4.07Å; W279-P401 HydrophobicContact CG-CG 4.14Å; A284-P401 WeakPolarHBondContact O-CG 3.4Å; V285-P401 HydrophobicContact CG2-CG 4.14Å; N305-P401 PolarHBondContact ND2-O 3.01Å; P401-I437 CarbonylContact C-O 3.52Å; P401-I437 WeakPolarHBondContact CA-O 3.11Å; P401-V438 HydrophobicContact CB-CG1 4.14Å; P401-V438 HydrophobicContact CG-CG1 4.3Å
402	V	92.7	Very high	89.6	Confident	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	127.2	-174.7	170.5	0	0	0	0	110.5	L385 Y395 V396 I404 A436 I437 V498	L385-V402 HydrophobicContact CD1-CG1 3.72Å; L385-V402 HydrophobicContact CD1-CG2 4.16Å; Y395-V402 HydrophobicContact CD1-CG2 4.26Å; V396-V402 HydrophobicContact CG2-CB 4.28Å; V396-V402 HydrophobicContact CG2-CG2 3.61Å; V402-I404 HydrophobicContact CG1-CG2 3.93Å; V402-A436 CarbonylContact O-C 3.57Å; V402-A436 VanDerWaalsContact O-CA 3.23Å; V402-A436 WeakPolarHBondContact O-CA 3.31Å; V402-I437 PolarHBondContact N-O 3.22Å; V402-I437 PolarHBondContact O-N 3.42Å; V402-V498 HydrophobicContact CB-CG2 3.9Å; V402-V498 HydrophobicContact CG1-CG2 3.49Å; V402-V498 VanDerWaalsContact CG1-CG2 3.49Å; V402-V498 HydrophobicContact CG2-CG1 4.38Å; V402-V498 HydrophobicContact CG2-CG2 3.4Å; V402-V498 VanDerWaalsContact CG2-CG2 3.4Å
403	A	91.6	Very high	89.8	Confident	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	132.5	170.8	0	0	0	0	0	110.5	A301 N305 P340 Y344 G496 I497	A301-A403 HydrophobicContact CB-CB 4.18Å; A301-A403 WeakPolarHBondContact O-CB 3.3Å; N305-A403 HydrophobicContact CB-CB 4.11Å; P340-A403 HydrophobicContact CB-CB 4.12Å; P340-A403 HydrophobicContact CG-CB 4.21Å; Y344-A403 VanDerWaalsContact OH-CB 3.29Å; Y344-A403 WeakPolarHBondContact OH-CB 3.12Å; A403-G496 WeakPolarHBondContact O-CA 3.02Å; A403-I497 PolarHBondContact O-N 2.69Å
404	I	87.8	Confident	90	Very high	5 Å²	5	9.3 Å²	9.3	3%	0.026	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	162.1	178.3	62.5	160	0	0	0	111.3	V402 V435 I437 I455 I493	V402-I404 HydrophobicContact CG1-CG2 3.93Å; I404-V435 HydrophobicContact CD1-CG2 3.8Å; I404-V435 HydrophobicContact CG1-CG2 3.53Å; I404-V435 PolarHBondContact N-O 3.48Å; I404-V435 PolarHBondContact O-N 2.84Å; I404-I437 HydrophobicContact CD1-CD1 3.98Å; I404-I437 HydrophobicContact CD1-CG1 3.72Å; I404-I437 HydrophobicContact CG1-CG1 4.18Å; I404-I437 HydrophobicContact CG2-CD1 3.84Å; I404-I437 HydrophobicContact CG2-CG1 4.11Å; I404-I455 HydrophobicContact CD1-CD1 4.45Å; I404-I493 HydrophobicContact CG2-CG1 4.37Å; I404-I493 HydrophobicContact CG2-CG2 4.35Å
405	G	85.4	Confident	90.1	Very high	1 Å²	1	12.7 Å²	12.7	1%	0.01	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	148.4	161.1	0	0	0	0	0	111.3	H433 A492	G405-H433 CarbonylContact C-O 3.6Å; G405-H433 WeakPolarHBondContact CA-O 3.48Å; G405-A492 CarbonylContact O-C 3.32Å
406	I	84.1	Confident	90.3	Very high	9 Å²	9	16.9 Å²	16.9	5%	0.046	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	156.3	171.5	-165	163.6	0	0	0	110.4	M411 D432 H433 V435 I455 Y469 L471	I406-M411 HydrophobicContact CD1-SD 3.99Å; I406-M411 HydrophobicContact CG1-SD 4.34Å; I406-M411 HydrophobicContact CG2-SD 3.65Å; I406-D432 PolarHBondContact O-N 3.06Å; I406-H433 HydrophobicContact CG2-CB 3.96Å; I406-H433 PolarHBondContact N-O 2.7Å; I406-H433 PolarHBondContact O-N 3.09Å; I406-V435 HydrophobicContact CB-CG2 4.25Å; I406-V435 HydrophobicContact CG2-CG1 4.1Å; I406-V435 HydrophobicContact CG2-CG2 3.74Å; I406-I455 HydrophobicContact CD1-CD1 4.3Å; I406-Y469 HydrophobicContact CD1-CD1 4.26Å; I406-Y469 HydrophobicContact CD1-CE1 3.92Å; I406-L471 HydrophobicContact CD1-CD2 3.75Å
407	N	81.8	Confident	90.4	Very high	22 Å²	22	17.2 Å²	17.2	12%	0.118	9%	0.088	C	C	.	.			trans	-84.1	114.1	164.8	-179.9	-36.6	0	0	0	108.4	F409 M425	N407-F409 VanDerWaalsContact C-N 3.29Å; N407-F409 PolarHBondContact O-N 2.88Å; N407-F409 WeakPolarHBondContact OD1-CB 3.39Å; N407-F409 PolarHBondContact OD1-N 2.8Å; N407-M425 VanDerWaalsContact CG-O 3.28Å; N407-M425 PolarHBondContact ND2-O 3.39Å; N407-M425 VanDerWaalsContact ND2-O 3.1Å
408	A	85.9	Confident	90.3	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.082	C	C	.	.			trans	-82.5	3	-172.9	0	0	0	0	0	114.9	F246 L251 A410 M411 M412 D432 H433 W459	F246-A408 HydrophobicContact CE1-CB 4.42Å; L251-A408 HydrophobicContact CD1-CB 4.19Å; L251-A408 HydrophobicContact CD2-CB 3.53Å; A408-A410 PolarHBondContact O-N 2.89Å; A408-M411 HydrophobicContact CB-SD 4.31Å; A408-M411 WeakPolarHBondContact O-CB 3.16Å; A408-M411 PolarHBondContact O-N 3.49Å; A408-M412 PolarHBondContact O-N 3.02Å; A408-D432 PolarHBondContact N-OD1 2.79Å; A408-H433 HydrophobicContact CB-CB 3.67Å; A408-W459 HydrophobicContact CB-CH2 4Å; A408-W459 HydrophobicContact CB-CZ2 4.36Å
409	F	77	Confident	90.1	Very high	38 Å²	38	14.1 Å²	14.1	17%	0.167	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-52.2	-173.2	-179.1	-95.4	0	0	0	113	T219 N407 M411 M412 M425 L531	T219-F409 HydrophobicContact CG2-CZ 4.24Å; N407-F409 VanDerWaalsContact C-N 3.29Å; N407-F409 PolarHBondContact O-N 2.88Å; N407-F409 WeakPolarHBondContact OD1-CB 3.39Å; N407-F409 PolarHBondContact OD1-N 2.8Å; F409-M411 VanDerWaalsContact C-N 3.27Å; F409-M411 PolarHBondContact O-N 2.92Å; F409-M412 WeakPolarHBondContact O-CB 3.29Å; F409-M412 PolarHBondContact O-N 3.32Å; F409-M425 HydrophobicContact CD1-SD 4.25Å; F409-M425 HydrophobicContact CE1-SD 4.19Å; F409-L531 HydrophobicContact CE1-CB 3.9Å; F409-L531 HydrophobicContact CE1-CD2 3.7Å; F409-L531 HydrophobicContact CE1-CG 4.33Å; F409-L531 WeakPolarHBondContact CE2-O 3.41Å; F409-L531 HydrophobicContact CZ-CB 3.79Å; F409-L531 HydrophobicContact CZ-CD2 3.85Å; F409-L531 HydrophobicContact CZ-CG 4.44Å; F409-L531 WeakPolarHBondContact CZ-O 3.22Å
410	A	80.3	Confident	89.8	Confident	3 Å²	3	13 Å²	13	3%	0.025	6%	0.061	C	C	.	.	G	3₁₀ helix	trans	-68.9	-27.2	177.1	0	0	0	0	0	112.5	Y233 A408 M412 P421	Y233-A410 HydrophobicContact CE1-CB 4.45Å; Y233-A410 WeakPolarHBondContact CE1-O 3.3Å; A408-A410 PolarHBondContact O-N 2.89Å; A410-M412 VanDerWaalsContact C-N 3.26Å; A410-M412 PolarHBondContact O-N 3.17Å; A410-P421 HydrophobicContact CB-CB 3.92Å; A410-P421 HydrophobicContact CB-CG 4.44Å
411	M	91.3	Very high	88.7	Confident	0 Å²	0	13.6 Å²	13.6	0%	0	6%	0.064	C	C	.	.	G	3₁₀ helix	trans	-66.3	-28.7	179.8	-62.3	177.4	66.6	0	0	112.1	I406 A408 F409 F413 Y414 V435 W459 W463 Y469	I406-M411 HydrophobicContact CD1-SD 3.99Å; I406-M411 HydrophobicContact CG1-SD 4.34Å; I406-M411 HydrophobicContact CG2-SD 3.65Å; A408-M411 HydrophobicContact CB-SD 4.31Å; A408-M411 WeakPolarHBondContact O-CB 3.16Å; A408-M411 PolarHBondContact O-N 3.49Å; F409-M411 VanDerWaalsContact C-N 3.27Å; F409-M411 PolarHBondContact O-N 2.92Å; M411-F413 PolarHBondContact O-N 3.45Å; M411-Y414 PolarHBondContact O-N 2.52Å; M411-Y414 VanDerWaalsContact O-N 3.14Å; M411-V435 HydrophobicContact CE-CG1 4.35Å; M411-W459 HydrophobicContact CB-CH2 4.04Å; M411-W459 HydrophobicContact CB-CZ3 3.97Å; M411-W459 HydrophobicContact CE-CH2 4.43Å; M411-W459 HydrophobicContact CE-CZ3 4.45Å; M411-W463 HydrophobicContact CB-CH2 4.38Å; M411-W463 HydrophobicContact CB-CZ2 3.89Å; M411-W463 HydrophobicContact CE-CH2 3.67Å; M411-W463 HydrophobicContact CE-CZ2 4.22Å; M411-W463 HydrophobicContact CE-CZ3 4.48Å; M411-W463 WeakPolarHBondContact O-CZ2 3.46Å; M411-W463 PolarHBondContact O-NE1 3.44Å; M411-W463 VanDerWaalsContact O-NE1 3.17Å; M411-Y469 HydrophobicContact CE-CD1 4.03Å; M411-Y469 HydrophobicContact CE-CG 4.19Å; M411-Y469 HydrophobicContact CG-CD1 4.03Å; M411-Y469 HydrophobicContact CG-CD2 4.49Å; M411-Y469 HydrophobicContact CG-CE1 3.74Å; M411-Y469 HydrophobicContact CG-CE2 4.23Å; M411-Y469 HydrophobicContact CG-CG 4.39Å; M411-Y469 HydrophobicContact SD-CD1 4.1Å; M411-Y469 HydrophobicContact SD-CE1 4.17Å
412	M	91.1	Very high	87.3	Confident	4 Å²	4	16 Å²	16	2%	0.02	7%	0.074	C	C	.	.	G	3₁₀ helix	trans	-50.2	-35.2	-179	-173.6	177.1	173.2	0	0	113	T236 F238 L241 F246 A408 F409 A410	T236-M412 PolarHBondContact OG1-O 3.34Å; F238-M412 HydrophobicContact CB-CE 4.03Å; F238-M412 HydrophobicContact CB-CG 3.94Å; F238-M412 WeakPolarHBondContact O-CE 3.43Å; L241-M412 HydrophobicContact CB-CE 4.23Å; L241-M412 WeakPolarHBondContact O-CE 3.5Å; F246-M412 HydrophobicContact CB-CE 4.14Å; F246-M412 HydrophobicContact CB-SD 4.15Å; F246-M412 HydrophobicContact CD1-CB 4.41Å; F246-M412 HydrophobicContact CD1-CG 4.22Å; F246-M412 HydrophobicContact CD1-SD 3.97Å; F246-M412 HydrophobicContact CD2-CE 4.43Å; F246-M412 HydrophobicContact CD2-CG 4.1Å; F246-M412 HydrophobicContact CD2-SD 4.31Å; F246-M412 HydrophobicContact CE1-CB 3.94Å; F246-M412 HydrophobicContact CE1-CG 4.13Å; F246-M412 HydrophobicContact CE1-SD 4.43Å; F246-M412 HydrophobicContact CE2-CB 4.44Å; F246-M412 HydrophobicContact CE2-CG 4.04Å; F246-M412 HydrophobicContact CG-CE 4.26Å; F246-M412 HydrophobicContact CG-CG 4.19Å; F246-M412 HydrophobicContact CG-SD 3.88Å; F246-M412 HydrophobicContact CZ-CB 3.95Å; F246-M412 HydrophobicContact CZ-CG 4.03Å; A408-M412 PolarHBondContact O-N 3.02Å; F409-M412 WeakPolarHBondContact O-CB 3.29Å; F409-M412 PolarHBondContact O-N 3.32Å; A410-M412 VanDerWaalsContact C-N 3.26Å; A410-M412 PolarHBondContact O-N 3.17Å
413	F	94	Very high	85.7	Confident	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.085	C	C	.	.	G	3₁₀ helix	trans	-112.6	5.7	-175	-56.3	-58.4	0	0	0	114.8	N216 T219 V220 L223 Y233 G234 M411	N216-F413 HydrophobicContact CB-CE1 3.76Å; N216-F413 HydrophobicContact CB-CZ 3.79Å; T219-F413 HydrophobicContact CG2-CD2 4.1Å; T219-F413 HydrophobicContact CG2-CE2 3.67Å; V220-F413 HydrophobicContact CG2-CB 3.83Å; V220-F413 HydrophobicContact CG2-CD1 3.65Å; V220-F413 HydrophobicContact CG2-CD2 4.29Å; V220-F413 HydrophobicContact CG2-CE1 4.33Å; V220-F413 HydrophobicContact CG2-CG 3.64Å; L223-F413 HydrophobicContact CD1-CB 4.28Å; L223-F413 HydrophobicContact CD1-CD2 3.78Å; L223-F413 HydrophobicContact CD1-CG 4.49Å; Y233-F413 VanDerWaalsContact CA-O 3.29Å; Y233-F413 WeakPolarHBondContact CA-O 3.4Å; Y233-F413 HydrophobicContact CD1-CB 4.22Å; G234-F413 PolarHBondContact N-O 3.33Å; M411-F413 PolarHBondContact O-N 3.45Å
414	Y	95.5	Very high	84.1	Confident	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	130.9	-178.3	175.4	-98.2	0	0	0	111.7	A231 M411 H416 G417 W463 E465 Y468 Y469 L470	A231-Y414 HydrophobicContact CB-CD2 4.38Å; A231-Y414 HydrophobicContact CB-CE2 4.16Å; M411-Y414 PolarHBondContact O-N 2.52Å; M411-Y414 VanDerWaalsContact O-N 3.14Å; Y414-H416 WeakPolarHBondContact CE2-O 3.47Å; Y414-G417 WeakPolarHBondContact CE2-O 3.29Å; Y414-G417 VanDerWaalsContact CZ-O 3.29Å; Y414-G417 PolarHBondContact OH-N 3.47Å; Y414-G417 PolarHBondContact OH-O 3.11Å; Y414-W463 AromaticContact CD1-CH2 3.99Å; Y414-W463 HydrophobicContact CD1-CH2 3.99Å; Y414-W463 HydrophobicContact CD1-CZ2 4.08Å; Y414-E465 HydrophobicContact CE1-CG 4.44Å; Y414-Y468 WeakPolarHBondContact CE1-O 3.48Å; Y414-Y469 AromaticContact CD1-CD2 3.59Å; Y414-Y469 HydrophobicContact CD1-CD2 3.59Å; Y414-Y469 HydrophobicContact CD1-CE2 4.21Å; Y414-Y469 AromaticContact CD2-CD2 3.67Å; Y414-Y469 HydrophobicContact CD2-CD2 3.67Å; Y414-Y469 AromaticContact CD2-CE2 3.49Å; Y414-Y469 HydrophobicContact CD2-CE2 3.49Å; Y414-Y469 VanDerWaalsContact CD2-CE2 3.49Å; Y414-Y469 AromaticContact CE1-CD2 3.7Å; Y414-Y469 HydrophobicContact CE1-CD2 3.7Å; Y414-Y469 AromaticContact CE2-CD2 3.75Å; Y414-Y469 HydrophobicContact CE2-CD2 3.75Å; Y414-Y469 AromaticContact CE2-CE2 3.81Å; Y414-Y469 HydrophobicContact CE2-CE2 3.81Å; Y414-Y469 AromaticContact CG-CD2 3.55Å; Y414-Y469 HydrophobicContact CG-CD2 3.55Å; Y414-Y469 AromaticContact CG-CE2 3.67Å; Y414-Y469 HydrophobicContact CG-CE2 3.67Å; Y414-Y469 AromaticContact CZ-CD2 3.75Å; Y414-L470 PolarHBondContact OH-N 2.78Å
415	R	96.4	Very high	82.5	Confident	78 Å²	78	19.7 Å²	19.7	29%	0.294	9%	0.094	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	-55.7	173.2	-62.1	-66.6	-61.8	-130.5	4.6	111.6	E195 V232 P235 G464 E465	E195-R415 IonicContact OE1-CZ 3.26Å; E195-R415 VanDerWaalsContact OE1-CZ 3.26Å; E195-R415 IonicContact OE1-NH1 3.29Å; E195-R415 PolarHBondContact OE1-NH1 2.9Å; E195-R415 IonicContact OE1-NH2 2.75Å; E195-R415 PolarHBondContact OE1-NH2 3.48Å; E195-R415 IonicContact OE2-NH1 3.59Å; V232-R415 WeakPolarHBondContact O-CB 3.28Å; V232-R415 PolarHBondContact O-N 3.17Å; P235-R415 WeakPolarHBondContact O-CD 3.45Å; P235-R415 PolarHBondContact O-NH1 3.26Å; R415-G464 CarbonylContact O-C 3.56Å; R415-G464 VanDerWaalsContact O-CA 3.24Å; R415-G464 WeakPolarHBondContact O-CA 3.33Å; R415-G464 VanDerWaalsContact O-O 3.11Å; R415-E465 PolarHBondContact O-N 3.38Å
416	H	96.7	Very high	81.2	Confident	92 Å²	92	20.2 Å²	20.2	43%	0.426	10%	0.098	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.9	178.1	-179.6	63.9	84.2	0	0	0	111.2	A231 V232 Y414 E465	A231-H416 CarbonylContact C-O 3.4Å; A231-H416 WeakPolarHBondContact CA-O 3.36Å; V232-H416 WeakPolarHBondContact CG2-CE1 2.99Å; V232-H416 PolarHBondContact N-O 2.99Å; Y414-H416 WeakPolarHBondContact CE2-O 3.47Å; H416-E465 HydrophobicContact CB-CG 3.49Å; H416-E465 VanDerWaalsContact CB-CG 3.49Å; H416-E465 WeakPolarHBondContact CB-OE1 3.38Å
417	G	95.6	Very high	79.9	Confident	8 Å²	8	21.6 Å²	21.6	8%	0.082	11%	0.108	C	C	.	.	S	Bend	trans	83.9	176.1	178.7	0	0	0	0	0	114	Y414 S419 E465 L470	Y414-G417 WeakPolarHBondContact CE2-O 3.29Å; Y414-G417 VanDerWaalsContact CZ-O 3.29Å; Y414-G417 PolarHBondContact OH-N 3.47Å; Y414-G417 PolarHBondContact OH-O 3.11Å; G417-S419 PolarHBondContact O-N 2.61Å; G417-E465 PolarHBondContact N-OE1 2.72Å; G417-L470 WeakPolarHBondContact O-CB 3.47Å
418	I	93.7	Very high	78.8	Confident	2 Å²	2	22.4 Å²	22.4	1%	0.01	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	110.7	-179.7	-58.3	170.5	0	0	0	109.4	T230 A231 Q443 L450 Y452 L470 R472	T230-I418 PolarHBondContact N-O 3.36Å; T230-I418 WeakPolarHBondContact OG1-CB 3.37Å; T230-I418 PolarHBondContact OG1-N 2.72Å; A231-I418 PolarHBondContact N-O 3.09Å; A231-I418 VanDerWaalsContact N-O 3.08Å; I418-Q443 HydrophobicContact CD1-CB 3.59Å; I418-Q443 HydrophobicContact CD1-CG 4.4Å; I418-L450 HydrophobicContact CB-CD2 3.98Å; I418-L450 HydrophobicContact CD1-CD2 3.86Å; I418-L450 HydrophobicContact CD1-CG 4.02Å; I418-L450 HydrophobicContact CG2-CD2 3.97Å; I418-L450 HydrophobicContact CG2-CG 4.12Å; I418-Y452 HydrophobicContact CD1-CD1 3.31Å; I418-Y452 HydrophobicContact CD1-CE1 3.9Å; I418-Y452 HydrophobicContact CD1-CG 3.74Å; I418-Y452 HydrophobicContact CG1-CD1 4.04Å; I418-Y452 HydrophobicContact CG1-CG 3.96Å; I418-L470 HydrophobicContact CG1-CB 4.23Å; I418-L470 HydrophobicContact CG1-CD1 4.36Å; I418-R472 HydrophobicContact CG2-CB 4.07Å
419	S	90.5	Very high	77.5	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	130.7	-179.6	-173.6	0	0	0	0	111.8	A231 Y233 G417 P421 Y469 L470 R472	A231-S419 VanDerWaalsContact CB-CA 3.48Å; Y233-S419 PolarHBondContact OH-OG 2.82Å; G417-S419 PolarHBondContact O-N 2.61Å; S419-P421 VanDerWaalsContact C-CD 3.5Å; S419-P421 WeakPolarHBondContact OG-CD 3.48Å; S419-Y469 VanDerWaalsContact CB-CE2 3.41Å; S419-Y469 VanDerWaalsContact CB-OH 3.27Å; S419-Y469 WeakPolarHBondContact CB-OH 3.44Å; S419-Y469 PolarHBondContact OG-OH 2.77Å; S419-L470 VanDerWaalsContact CB-O 3.25Å; S419-L470 WeakPolarHBondContact CB-O 3.44Å; S419-L470 PolarHBondContact N-O 3.39Å; S419-R472 WeakPolarHBondContact O-CB 3.49Å; S419-R472 PolarHBondContact O-N 3.25Å
420	H	84.5	Confident	77	Confident	11 Å²	11	26.9 Å²	26.9	5%	0.051	15%	0.152	C	C	.	.			trans	-131.7	69.4	173.9	-175	-167.9	0	0	0	109.6	E227 Q228 R472 M485	E227-H420 WeakPolarHBondContact OE1-CA 3.45Å; E227-H420 VanDerWaalsContact OE1-CB 3.23Å; E227-H420 WeakPolarHBondContact OE1-CB 3.17Å; E227-H420 PolarHBondContact OE1-N 2.97Å; E227-H420 PolarHBondContact OE2-N 3.34Å; Q228-H420 HydrophobicContact CB-CB 4.42Å; Q228-H420 VanDerWaalsContact CB-ND1 3.34Å; Q228-H420 WeakPolarHBondContact CB-ND1 3.03Å; Q228-H420 PolarHBondContact OE1-CE1 3.33Å; H420-R472 HydrophobicContact CB-CB 4.15Å; H420-R472 PolarHBondContact CE1-NH1 3.2Å; H420-R472 VanDerWaalsContact CG-CD 3.44Å; H420-R472 WeakPolarHBondContact ND1-CD 3.03Å; H420-R472 PolarHBondContact ND1-NH1 3.24Å; H420-M485 VanDerWaalsContact NE2-CE 3.27Å; H420-M485 WeakPolarHBondContact NE2-CE 3.19Å
421	P	71.7	Confident	76.8	Confident	11 Å²	11	27.4 Å²	27.4	7%	0.071	16%	0.155	C	C	.	.			trans	-65	149.4	176.2	30.3	-35.1	0	0	0	109.7	A410 S419 M425 C426 L471	A410-P421 HydrophobicContact CB-CB 3.92Å; A410-P421 HydrophobicContact CB-CG 4.44Å; S419-P421 VanDerWaalsContact C-CD 3.5Å; S419-P421 WeakPolarHBondContact OG-CD 3.48Å; P421-M425 HydrophobicContact CB-CE 4.09Å; P421-C426 WeakPolarHBondContact CG-SG 3.47Å; P421-L471 HydrophobicContact CG-CD1 4.21Å
422	W	65.6	Low	76.4	Confident	53 Å²	53	28 Å²	28	20%	0.201	16%	0.158	C	C	.	.			trans	-58.6	146.6	175.4	-64.7	-15.7	0	0	0	112.3	N226 F424 M425 L527	N226-W422 HydrophobicContact CB-CD2 4.5Å; N226-W422 HydrophobicContact CB-CH2 4.23Å; N226-W422 HydrophobicContact CB-CZ2 3.42Å; N226-W422 VanDerWaalsContact CB-CZ2 3.42Å; N226-W422 PolarHBondContact O-NE1 3.48Å; N226-W422 WeakPolarHBondContact OD1-CZ2 3.45Å; W422-F424 HydrophobicContact CB-CD1 4.01Å; W422-F424 HydrophobicContact CB-CE1 4Å; W422-F424 HydrophobicContact CD2-CE1 4.02Å; W422-F424 HydrophobicContact CD2-CZ 4.43Å; W422-F424 HydrophobicContact CE3-CD1 4.18Å; W422-F424 AromaticContact CE3-CE1 3.11Å; W422-F424 HydrophobicContact CE3-CE1 3.11Å; W422-F424 HydrophobicContact CE3-CE2 4.45Å; W422-F424 AromaticContact CE3-CZ 3.3Å; W422-F424 HydrophobicContact CE3-CZ 3.3Å; W422-F424 HydrophobicContact CG-CE1 4.44Å; W422-F424 AromaticContact CZ3-CE1 3.62Å; W422-F424 HydrophobicContact CZ3-CE1 3.62Å; W422-F424 AromaticContact CZ3-CZ 3.76Å; W422-F424 HydrophobicContact CZ3-CZ 3.76Å; W422-F424 PolarHBondContact O-N 3Å; W422-F424 VanDerWaalsContact O-N 3.08Å; W422-M425 HydrophobicContact CB-CE 3.78Å; W422-M425 HydrophobicContact CD2-CE 4.3Å; W422-M425 HydrophobicContact CE3-CE 4.37Å; W422-M425 HydrophobicContact CG-CE 4Å; W422-M425 WeakPolarHBondContact O-CB 3.37Å; W422-M425 PolarHBondContact O-N 2.95Å; W422-L527 HydrophobicContact CE3-CD2 3.97Å; W422-L527 HydrophobicContact CH2-CD2 3.76Å; W422-L527 HydrophobicContact CZ3-CD2 3.13Å
423	S	60.3	Low	76.3	Confident	35 Å²	35	27.8 Å²	27.8	25%	0.245	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-57.8	-32.2	-170.9	56.3	0	0	0	0	113.5	C426 E484 S488	S423-C426 CarbonylContact O-C 3.47Å; S423-C426 PolarHBondContact O-N 3.01Å; S423-E484 PolarHBondContact OG-O 3.23Å; S423-S488 WeakPolarHBondContact CA-OG 3.43Å; S423-S488 PolarHBondContact O-OG 2.87Å
424	F	57.4	Low	76.2	Confident	33 Å²	33	27.8 Å²	27.8	15%	0.145	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-70.3	-29.2	176.6	72.9	-112.5	0	0	0	113.9	W422 C426 S427 L527 Q528 L531	W422-F424 HydrophobicContact CB-CD1 4.01Å; W422-F424 HydrophobicContact CB-CE1 4Å; W422-F424 HydrophobicContact CD2-CE1 4.02Å; W422-F424 HydrophobicContact CD2-CZ 4.43Å; W422-F424 HydrophobicContact CE3-CD1 4.18Å; W422-F424 AromaticContact CE3-CE1 3.11Å; W422-F424 HydrophobicContact CE3-CE1 3.11Å; W422-F424 HydrophobicContact CE3-CE2 4.45Å; W422-F424 AromaticContact CE3-CZ 3.3Å; W422-F424 HydrophobicContact CE3-CZ 3.3Å; W422-F424 HydrophobicContact CG-CE1 4.44Å; W422-F424 AromaticContact CZ3-CE1 3.62Å; W422-F424 HydrophobicContact CZ3-CE1 3.62Å; W422-F424 AromaticContact CZ3-CZ 3.76Å; W422-F424 HydrophobicContact CZ3-CZ 3.76Å; W422-F424 PolarHBondContact O-N 3Å; W422-F424 VanDerWaalsContact O-N 3.08Å; F424-C426 PolarHBondContact O-N 3.33Å; F424-S427 PolarHBondContact O-N 3.18Å; F424-L527 HydrophobicContact CZ-CD2 4.35Å; F424-Q528 VanDerWaalsContact CG-OE1 3.23Å; F424-L531 HydrophobicContact CE2-CD1 3.76Å; F424-L531 HydrophobicContact CZ-CD1 3.89Å
425	M	54.7	Low	76.1	Confident	14 Å²	14	27.9 Å²	27.9	7%	0.069	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-72	-16.9	177.2	-69.8	-167.9	-80.7	0	0	111.4	L223 N407 F409 P421 W422 L531	L223-M425 HydrophobicContact CD2-CE 3.71Å; L223-M425 HydrophobicContact CD2-SD 3.61Å; N407-M425 VanDerWaalsContact CG-O 3.28Å; N407-M425 PolarHBondContact ND2-O 3.39Å; N407-M425 VanDerWaalsContact ND2-O 3.1Å; F409-M425 HydrophobicContact CD1-SD 4.25Å; F409-M425 HydrophobicContact CE1-SD 4.19Å; P421-M425 HydrophobicContact CB-CE 4.09Å; W422-M425 HydrophobicContact CB-CE 3.78Å; W422-M425 HydrophobicContact CD2-CE 4.3Å; W422-M425 HydrophobicContact CE3-CE 4.37Å; W422-M425 HydrophobicContact CG-CE 4Å; W422-M425 WeakPolarHBondContact O-CB 3.37Å; W422-M425 PolarHBondContact O-N 2.95Å; M425-L531 HydrophobicContact CG-CD1 4.27Å; M425-L531 HydrophobicContact SD-CD1 3.84Å
426	C	57.6	Low	76	Confident	12 Å²	12	24.2 Å²	24.2	8%	0.081	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-113.1	43.9	178.2	-63.9	0	0	0	0	110.8	P421 S423 F424 S488	P421-C426 WeakPolarHBondContact CG-SG 3.47Å; S423-C426 CarbonylContact O-C 3.47Å; S423-C426 PolarHBondContact O-N 3.01Å; F424-C426 PolarHBondContact O-N 3.33Å; C426-S488 VanDerWaalsContact CB-OG 3.32Å; C426-S488 WeakPolarHBondContact CB-OG 3.29Å
427	S	56.3	Low	76	Confident	37 Å²	37	19.9 Å²	19.9	26%	0.259	12%	0.124	S	C	.	.			trans	-57.4	126.4	175.5	179.9	0	0	0	0	110	F424 S429 A430	F424-S427 PolarHBondContact O-N 3.18Å; S427-S429 PolarHBondContact O-N 3.39Å; S427-S429 PolarHBondContact OG-OG 3.07Å; S427-A430 PolarHBondContact O-N 3.22Å
428	P	58	Low	76.1	Confident	40 Å²	40	19.5 Å²	19.5	26%	0.26	12%	0.12	S	C	.	.	G	3₁₀ helix	trans	-73.1	-14.6	-176.5	31	-38	0	0	0	114.2	L431 F491	P428-L431 WeakPolarHBondContact O-CG 3.27Å; P428-F491 HydrophobicContact CB-CB 3.39Å; P428-F491 HydrophobicContact CB-CD1 3.7Å; P428-F491 HydrophobicContact CB-CG 3.9Å; P428-F491 VanDerWaalsContact CB-O 3.28Å; P428-F491 WeakPolarHBondContact CB-O 3Å; P428-F491 HydrophobicContact CG-CB 3.71Å; P428-F491 HydrophobicContact CG-CD1 3.9Å; P428-F491 HydrophobicContact CG-CG 3.97Å
429	S	59.3	Low	76.2	Confident	94 Å²	94	19.4 Å²	19.4	66%	0.657	12%	0.12	S	C	*	.	G	3₁₀ helix	trans	-78	-9.2	170.7	58	0	0	0	0	113.2	S427	S427-S429 PolarHBondContact O-N 3.39Å; S427-S429 PolarHBondContact OG-OG 3.07Å
430	A	66.6	Low	76.4	Confident	37 Å²	37	19.6 Å²	19.6	31%	0.306	12%	0.12	S	C	.	.	G	3₁₀ helix	trans	-112.5	34.7	-173.5	0	0	0	0	0	112.5	S427 D432	S427-A430 PolarHBondContact O-N 3.22Å; A430-D432 PolarHBondContact O-N 2.52Å
431	L	77.1	Confident	76.9	Confident	14 Å²	14	19 Å²	19	7%	0.073	12%	0.118	C	C	.	.			trans	-67	128.6	172.5	-56.7	174.1	0	0	0	110.3	W255 P428 A492 C494	W255-L431 WeakPolarHBondContact CB-O 3.45Å; W255-L431 HydrophobicContact CD2-CB 3.91Å; W255-L431 HydrophobicContact CG-CB 4.03Å; W255-L431 HydrophobicContact CZ2-CB 4.41Å; P428-L431 WeakPolarHBondContact O-CG 3.27Å; L431-A492 VanDerWaalsContact CD1-O 3.29Å; L431-A492 WeakPolarHBondContact CD1-O 3.29Å; L431-A492 HydrophobicContact CD2-CB 3.43Å; L431-A492 VanDerWaalsContact CD2-CB 3.43Å; L431-C494 HydrophobicContact CD1-CB 3.85Å
432	D	80.9	Confident	77.9	Confident	12 Å²	12	19.7 Å²	19.7	6%	0.064	12%	0.122	C	C	.	.			trans	-143.3	1.3	-175.6	57.5	10.5	0	0	0	113.6	R247 L251 T252 I406 A408 A430	R247-D432 IonicContact NH1-OD2 3.7Å; L251-D432 HydrophobicContact CB-CB 4.43Å; L251-D432 WeakPolarHBondContact CB-O 3.38Å; L251-D432 HydrophobicContact CD1-CB 4.31Å; L251-D432 WeakPolarHBondContact CD1-OD2 3.43Å; T252-D432 WeakPolarHBondContact CG2-O 3.44Å; T252-D432 PolarHBondContact N-O 3.03Å; I406-D432 PolarHBondContact O-N 3.06Å; A408-D432 PolarHBondContact N-OD1 2.79Å; A430-D432 PolarHBondContact O-N 2.52Å
433	H	90.6	Very high	79.1	Confident	0 Å²	0	21 Å²	21	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	131.7	-177.7	-164.3	43.3	0	0	0	112.9	L251 C297 G405 I406 A408 V435 N457 W459	L251-H433 HydrophobicContact CD2-CB 4.06Å; C297-H433 WeakPolarHBondContact CB-CE1 3.43Å; C297-H433 VanDerWaalsContact CB-ND1 3.26Å; C297-H433 WeakPolarHBondContact CB-ND1 3.4Å; C297-H433 PolarHBondContact SG-ND1 2.86Å; G405-H433 CarbonylContact C-O 3.6Å; G405-H433 WeakPolarHBondContact CA-O 3.48Å; I406-H433 HydrophobicContact CG2-CB 3.96Å; I406-H433 PolarHBondContact N-O 2.7Å; I406-H433 PolarHBondContact O-N 3.09Å; A408-H433 HydrophobicContact CB-CB 3.67Å; H433-V435 WeakPolarHBondContact CD2-CG1 3.48Å; H433-V435 WeakPolarHBondContact NE2-CG1 3.17Å; H433-N457 PolarHBondContact NE2-OD1 3.49Å; H433-W459 AromaticContact CD2-CZ2 3.73Å; H433-W459 AromaticContact CE1-CE2 3.67Å; H433-W459 AromaticContact CE1-CZ2 3.56Å; H433-W459 AromaticContact CE1-NE1 3.48Å; H433-W459 PolarHBondContact CE1-NE1 2.96Å; H433-W459 AromaticContact NE2-CE2 3.62Å; H433-W459 AromaticContact NE2-CZ2 3.36Å; H433-W459 WeakPolarHBondContact NE2-CZ2 3.22Å; H433-W459 AromaticContact NE2-NE1 3.84Å
434	G	90.5	Very high	80.4	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	127.5	173.7	0	0	0	0	0	110.9	C297	C297-G434 PolarHBondContact SG-N 2.79Å
435	V	93.6	Very high	81.7	Confident	3 Å²	3	25.9 Å²	25.9	2%	0.018	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	175.4	177.7	-63.3	0	0	0	0	110.3	I404 I406 M411 H433 I455	I404-V435 HydrophobicContact CD1-CG2 3.8Å; I404-V435 HydrophobicContact CG1-CG2 3.53Å; I404-V435 PolarHBondContact N-O 3.48Å; I404-V435 PolarHBondContact O-N 2.84Å; I406-V435 HydrophobicContact CB-CG2 4.25Å; I406-V435 HydrophobicContact CG2-CG1 4.1Å; I406-V435 HydrophobicContact CG2-CG2 3.74Å; M411-V435 HydrophobicContact CE-CG1 4.35Å; H433-V435 WeakPolarHBondContact CD2-CG1 3.48Å; H433-V435 WeakPolarHBondContact NE2-CG1 3.17Å; V435-I455 HydrophobicContact CB-CG2 3.61Å; V435-I455 HydrophobicContact CG1-CG2 4.3Å; V435-I455 HydrophobicContact CG2-CG2 3.42Å; V435-I455 VanDerWaalsContact CG2-CG2 3.42Å
436	A	94.6	Very high	83	Confident	1 Å²	1	37.8 Å²	37.8	1%	0.008	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	128.2	177.2	0	0	0	0	0	112.5	A304 V402 V438 I455 K456	A304-A436 HydrophobicContact CB-CB 3.8Å; V402-A436 CarbonylContact O-C 3.57Å; V402-A436 VanDerWaalsContact O-CA 3.23Å; V402-A436 WeakPolarHBondContact O-CA 3.31Å; A436-V438 PolarHBondContact O-N 3.37Å; A436-I455 CarbonylContact O-C 3.48Å; A436-I455 VanDerWaalsContact O-CA 3.32Å; A436-I455 WeakPolarHBondContact O-CA 3.29Å; A436-K456 HydrophobicContact CB-CB 4.49Å; A436-K456 PolarHBondContact N-O 3.23Å; A436-K456 PolarHBondContact O-N 2.61Å
437	I	96.2	Very high	84	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	122.6	164.7	-63.7	174.3	0	0	0	107.4	I392 V396 P401 V402 I404 W453 I455	I392-I437 HydrophobicContact CG2-CD1 4.4Å; V396-I437 HydrophobicContact CG1-CG2 4.33Å; V396-I437 HydrophobicContact CG2-CG2 3.91Å; P401-I437 CarbonylContact C-O 3.52Å; P401-I437 WeakPolarHBondContact CA-O 3.11Å; V402-I437 PolarHBondContact N-O 3.22Å; V402-I437 PolarHBondContact O-N 3.42Å; I404-I437 HydrophobicContact CD1-CD1 3.98Å; I404-I437 HydrophobicContact CD1-CG1 3.72Å; I404-I437 HydrophobicContact CG1-CG1 4.18Å; I404-I437 HydrophobicContact CG2-CD1 3.84Å; I404-I437 HydrophobicContact CG2-CG1 4.11Å; I437-W453 HydrophobicContact CD1-CD2 4.09Å; I437-W453 HydrophobicContact CD1-CE3 4.14Å; I437-W453 HydrophobicContact CD1-CG 4.44Å; I437-W453 HydrophobicContact CG2-CD2 4.34Å; I437-W453 HydrophobicContact CG2-CE3 3.53Å; I437-W453 HydrophobicContact CG2-CZ3 4.01Å; I437-I455 HydrophobicContact CG1-CG1 4.27Å
438	V	97.7	Very high	85.3	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.006	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	-0.8	177.7	-62	0	0	0	0	112.6	W279 R280 V285 P401 A436 I454 K456 Y468	W279-V438 VanDerWaalsContact CB-O 3.23Å; W279-V438 WeakPolarHBondContact CB-O 3.48Å; W279-V438 PolarHBondContact N-O 2.85Å; R280-V438 HydrophobicContact CG-CG2 4.42Å; V285-V438 HydrophobicContact CG1-CG1 4.11Å; V285-V438 HydrophobicContact CG2-CB 3.83Å; V285-V438 HydrophobicContact CG2-CG1 3.73Å; P401-V438 HydrophobicContact CB-CG1 4.14Å; P401-V438 HydrophobicContact CG-CG1 4.3Å; A436-V438 PolarHBondContact O-N 3.37Å; V438-I454 HydrophobicContact CG2-CB 4.05Å; V438-I454 HydrophobicContact CG2-CG2 3.59Å; V438-I454 WeakPolarHBondContact CG2-O 3.07Å; V438-I454 PolarHBondContact N-O 2.81Å; V438-K456 HydrophobicContact CG1-CB 3.84Å; V438-Y468 HydrophobicContact CG2-CD1 4.19Å; V438-Y468 HydrophobicContact CG2-CE1 3.9Å
439	G	96.8	Very high	86.7	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.7	-176.5	-179	0	0	0	0	0	112.9	W277 I454	W277-G439 CarbonylContact O-C 3.53Å; W277-G439 WeakPolarHBondContact O-CA 3.41Å; G439-I454 PolarHBondContact N-O 3.1Å; G439-I454 PolarHBondContact O-N 3.39Å
440	F	95.5	Very high	88	Confident	3 Å²	3	47.7 Å²	47.7	1%	0.013	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	161.5	175.6	55.5	-92.8	0	0	0	110.4	L273 A274 Q276 W277 A393 V396 Q397 Y452 W453 L475	L273-F440 HydrophobicContact CD2-CZ 4.37Å; A274-F440 WeakPolarHBondContact O-CE2 3.34Å; Q276-F440 WeakPolarHBondContact CA-O 3.45Å; W277-F440 HydrophobicContact CB-CD1 4.38Å; W277-F440 HydrophobicContact CB-CE1 3.83Å; W277-F440 HydrophobicContact CB-CE2 4.08Å; W277-F440 HydrophobicContact CB-CZ 3.66Å; W277-F440 PolarHBondContact N-O 3.04Å; W277-F440 PolarHBondContact O-N 3.25Å; W277-F440 VanDerWaalsContact O-O 3.11Å; A393-F440 HydrophobicContact CB-CD1 4.06Å; A393-F440 HydrophobicContact CB-CE1 3.86Å; A393-F440 HydrophobicContact CB-CZ 4.16Å; A393-F440 WeakPolarHBondContact O-CE1 3.28Å; V396-F440 HydrophobicContact CB-CE1 4.49Å; V396-F440 HydrophobicContact CG1-CD1 4.34Å; V396-F440 HydrophobicContact CG1-CE1 4.4Å; Q397-F440 HydrophobicContact CB-CE1 4.11Å; Q397-F440 HydrophobicContact CB-CZ 4.11Å; F440-Y452 CarbonylContact C-O 3.58Å; F440-Y452 WeakPolarHBondContact CA-O 3.48Å; F440-Y452 VanDerWaalsContact CB-O 3.32Å; F440-Y452 WeakPolarHBondContact CB-O 3.17Å; F440-W453 HydrophobicContact CB-CE3 3.68Å; F440-W453 HydrophobicContact CB-CZ3 3.85Å; F440-W453 HydrophobicContact CD1-CE3 4.39Å; F440-W453 AromaticContact CD1-CZ3 3.8Å; F440-W453 HydrophobicContact CD1-CZ3 3.8Å; F440-W453 HydrophobicContact CG-CE3 4.46Å; F440-W453 HydrophobicContact CG-CZ3 4.15Å; F440-L475 HydrophobicContact CB-CD1 4.35Å; F440-L475 HydrophobicContact CD2-CD1 4.15Å; F440-L475 HydrophobicContact CG-CD1 4.29Å
441	G	94.5	Very high	89.2	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	180	177.2	0	0	0	0	0	112.8	D275 P451 Y452	D275-G441 CarbonylContact O-C 3.52Å; G441-P451 CarbonylContact O-C 3.53Å; G441-P451 VanDerWaalsContact O-CA 3.28Å; G441-P451 WeakPolarHBondContact O-CA 3.28Å; G441-Y452 PolarHBondContact N-O 3.36Å; G441-Y452 WeakPolarHBondContact O-CD1 3.49Å; G441-Y452 PolarHBondContact O-N 2.9Å
442	V	92.3	Very high	89.9	Confident	25 Å²	25	47.4 Å²	47.4	15%	0.152	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	114.9	174.8	-178.8	0	0	0	0	109.7	D275 K449 P451	D275-V442 WeakPolarHBondContact O-CG2 3.44Å; D275-V442 PolarHBondContact O-N 3.45Å; V442-K449 HydrophobicContact CG1-CB 3.61Å; V442-K449 HydrophobicContact CG1-CD 4.03Å; V442-K449 HydrophobicContact CG1-CG 3.87Å; V442-P451 HydrophobicContact CG2-CB 3.93Å
443	Q	90.5	Very high	90.6	Very high	80 Å²	80	46.8 Å²	46.8	37%	0.374	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	130.5	172.2	-171.4	174.3	33.6	0	0	110	T230 I418 T445 L450 Y452	T230-Q443 PolarHBondContact OG1-OE1 3.27Å; I418-Q443 HydrophobicContact CD1-CB 3.59Å; I418-Q443 HydrophobicContact CD1-CG 4.4Å; Q443-T445 HydrophobicContact CG-CG2 4.43Å; Q443-T445 PolarHBondContact O-N 3.29Å; Q443-L450 PolarHBondContact N-O 2.86Å; Q443-L450 PolarHBondContact O-N 3.4Å; Q443-Y452 HydrophobicContact CB-CE1 4.27Å
444	Q	88.6	Confident	90.9	Very high	126 Å²	126	46.9 Å²	46.9	59%	0.589	21%	0.211	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-75.7	121.4	168.4	-60.6	-53.6	-39.5	0	0	109.3
445	T	84.1	Confident	91.2	Very high	44 Å²	44	47 Å²	47	27%	0.27	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	166.6	175.9	76.3	0	0	0	0	110	Q443 R447 G448 L450	Q443-T445 HydrophobicContact CG-CG2 4.43Å; Q443-T445 PolarHBondContact O-N 3.29Å; T445-R447 PolarHBondContact O-N 2.98Å; T445-R447 VanDerWaalsContact O-N 3.07Å; T445-R447 PolarHBondContact OG1-N 3.18Å; T445-R447 VanDerWaalsContact OG1-N 3.14Å; T445-G448 PolarHBondContact N-O 3.17Å; T445-G448 PolarHBondContact O-N 2.71Å; T445-G448 PolarHBondContact OG1-N 2.98Å; T445-G448 PolarHBondContact OG1-O 2.81Å; T445-L450 HydrophobicContact CG2-CB 3.59Å; T445-L450 HydrophobicContact CG2-CD2 3.97Å; T445-L450 HydrophobicContact CG2-CG 4.45Å
446	R	82.1	Confident	91.4	Very high	265 Å²	265	47.5 Å²	47.5	100%	1	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-22.3	171.2	-68.5	-175.5	178.6	167.8	0.2	113.1
447	R	78.4	Confident	91.6	Very high	213 Å²	213	47.7 Å²	47.7	80%	0.804	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.8	4.2	179.1	-63.8	-179.3	179.2	162.3	-1.8	113.2	Q228 T445	Q228-R447 PolarHBondContact O-NH1 3.5Å; T445-R447 PolarHBondContact O-N 2.98Å; T445-R447 VanDerWaalsContact O-N 3.07Å; T445-R447 PolarHBondContact OG1-N 3.18Å; T445-R447 VanDerWaalsContact OG1-N 3.14Å
448	G	83.4	Confident	91.6	Very high	33 Å²	33	47.9 Å²	47.9	34%	0.34	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	110.2	-161.9	-177.4	0	0	0	0	0	113.1	T445 L450	T445-G448 PolarHBondContact N-O 3.17Å; T445-G448 PolarHBondContact O-N 2.71Å; T445-G448 PolarHBondContact OG1-N 2.98Å; T445-G448 PolarHBondContact OG1-O 2.81Å; G448-L450 PolarHBondContact O-N 3.36Å
449	K	87.3	Confident	91.5	Very high	129 Å²	129	47.9 Å²	47.9	56%	0.561	22%	0.216	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-68.7	122	178.5	-69.7	-169.3	172.6	-159.3	0	110.2	D275 V442 P451	D275-K449 IonicContact OD2-NZ 3.59Å; V442-K449 HydrophobicContact CG1-CB 3.61Å; V442-K449 HydrophobicContact CG1-CD 4.03Å; V442-K449 HydrophobicContact CG1-CG 3.87Å; K449-P451 WeakPolarHBondContact O-CD 3.43Å
450	L	87.7	Confident	91.3	Very high	15 Å²	15	48.2 Å²	48.2	8%	0.079	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	97.5	173.2	-179	60	0	0	0	108.8	T230 I418 Q443 T445 G448 R472	T230-L450 HydrophobicContact CG2-CD2 4.4Å; I418-L450 HydrophobicContact CB-CD2 3.98Å; I418-L450 HydrophobicContact CD1-CD2 3.86Å; I418-L450 HydrophobicContact CD1-CG 4.02Å; I418-L450 HydrophobicContact CG2-CD2 3.97Å; I418-L450 HydrophobicContact CG2-CG 4.12Å; Q443-L450 PolarHBondContact N-O 2.86Å; Q443-L450 PolarHBondContact O-N 3.4Å; T445-L450 HydrophobicContact CG2-CB 3.59Å; T445-L450 HydrophobicContact CG2-CD2 3.97Å; T445-L450 HydrophobicContact CG2-CG 4.45Å; G448-L450 PolarHBondContact O-N 3.36Å; L450-R472 HydrophobicContact CD1-CB 4.41Å; L450-R472 HydrophobicContact CD1-CG 3.86Å
451	P	90.9	Very high	91.2	Very high	15 Å²	15	52.2 Å²	52.2	10%	0.097	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	146.6	-177.9	41.1	-40.4	0	0	0	109.8	G441 V442 K449 R472 N473 L475	G441-P451 CarbonylContact O-C 3.53Å; G441-P451 VanDerWaalsContact O-CA 3.28Å; G441-P451 WeakPolarHBondContact O-CA 3.28Å; V442-P451 HydrophobicContact CG2-CB 3.93Å; K449-P451 WeakPolarHBondContact O-CD 3.43Å; P451-R472 WeakPolarHBondContact O-CA 2.97Å; P451-N473 VanDerWaalsContact C-CG 3.49Å; P451-N473 WeakPolarHBondContact CB-OD1 3.14Å; P451-N473 WeakPolarHBondContact CG-O 3.34Å; P451-N473 WeakPolarHBondContact CG-OD1 3.16Å; P451-N473 PolarHBondContact O-N 3.22Å; P451-N473 PolarHBondContact O-OD1 3.15Å; P451-L475 HydrophobicContact CB-CB 4.28Å; P451-L475 WeakPolarHBondContact CG-O 3.5Å
452	Y	92.8	Very high	90.9	Very high	30 Å²	30	56.2 Å²	56.2	12%	0.118	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	153.4	-172.7	65.3	-85.1	0	0	0	113.2	I418 F440 G441 Q443 I454 L470 L471 N473	I418-Y452 HydrophobicContact CD1-CD1 3.31Å; I418-Y452 HydrophobicContact CD1-CE1 3.9Å; I418-Y452 HydrophobicContact CD1-CG 3.74Å; I418-Y452 HydrophobicContact CG1-CD1 4.04Å; I418-Y452 HydrophobicContact CG1-CG 3.96Å; F440-Y452 CarbonylContact C-O 3.58Å; F440-Y452 WeakPolarHBondContact CA-O 3.48Å; F440-Y452 VanDerWaalsContact CB-O 3.32Å; F440-Y452 WeakPolarHBondContact CB-O 3.17Å; G441-Y452 PolarHBondContact N-O 3.36Å; G441-Y452 WeakPolarHBondContact O-CD1 3.49Å; G441-Y452 PolarHBondContact O-N 2.9Å; Q443-Y452 HydrophobicContact CB-CE1 4.27Å; Y452-I454 HydrophobicContact CD2-CG1 4.19Å; Y452-I454 HydrophobicContact CE2-CD1 4.34Å; Y452-I454 HydrophobicContact CE2-CG1 3.78Å; Y452-L470 HydrophobicContact CD2-CB 4.22Å; Y452-L470 HydrophobicContact CD2-CD1 4.38Å; Y452-L470 HydrophobicContact CD2-CD2 4.06Å; Y452-L470 HydrophobicContact CD2-CG 4.46Å; Y452-L470 HydrophobicContact CE2-CD1 4.22Å; Y452-L470 HydrophobicContact CE2-CD2 4.04Å; Y452-L471 CarbonylContact C-O 3.52Å; Y452-L471 WeakPolarHBondContact CA-O 3.41Å; Y452-L471 WeakPolarHBondContact CB-O 3.34Å; Y452-N473 WeakPolarHBondContact CA-ND2 3.26Å; Y452-N473 PolarHBondContact N-ND2 3.19Å; Y452-N473 PolarHBondContact O-ND2 3.03Å
453	W	94.7	Very high	91	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	147	167	-64.3	113.6	0	0	0	110.7	E389 I392 A393 V396 I437 F440 I455 L470 L471 N473 L475	E389-W453 HydrophobicContact CB-CZ2 4.05Å; E389-W453 HydrophobicContact CG-CZ2 4.35Å; E389-W453 PolarHBondContact OE2-NE1 3.28Å; I392-W453 HydrophobicContact CB-CH2 4.29Å; I392-W453 HydrophobicContact CG2-CH2 3.89Å; I392-W453 HydrophobicContact CG2-CZ2 4.34Å; I392-W453 HydrophobicContact CG2-CZ3 4.47Å; A393-W453 HydrophobicContact CB-CH2 3.67Å; A393-W453 HydrophobicContact CB-CZ3 4.12Å; V396-W453 HydrophobicContact CG2-CZ3 4.45Å; I437-W453 HydrophobicContact CD1-CD2 4.09Å; I437-W453 HydrophobicContact CD1-CE3 4.14Å; I437-W453 HydrophobicContact CD1-CG 4.44Å; I437-W453 HydrophobicContact CG2-CD2 4.34Å; I437-W453 HydrophobicContact CG2-CE3 3.53Å; I437-W453 HydrophobicContact CG2-CZ3 4.01Å; F440-W453 HydrophobicContact CB-CE3 3.68Å; F440-W453 HydrophobicContact CB-CZ3 3.85Å; F440-W453 HydrophobicContact CD1-CE3 4.39Å; F440-W453 AromaticContact CD1-CZ3 3.8Å; F440-W453 HydrophobicContact CD1-CZ3 3.8Å; F440-W453 HydrophobicContact CG-CE3 4.46Å; F440-W453 HydrophobicContact CG-CZ3 4.15Å; W453-I455 HydrophobicContact CB-CD1 4.25Å; W453-I455 HydrophobicContact CB-CG1 4.08Å; W453-L470 WeakPolarHBondContact O-CA 3.42Å; W453-L471 PolarHBondContact N-O 3.32Å; W453-L471 PolarHBondContact O-N 3.4Å; W453-L471 VanDerWaalsContact O-N 3.14Å; W453-N473 HydrophobicContact CD2-CB 4.16Å; W453-N473 HydrophobicContact CG-CB 3.94Å; W453-N473 HydrophobicContact CZ2-CB 4.41Å; W453-L475 HydrophobicContact CH2-CD1 4.48Å
454	I	97.3	Very high	91.3	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.01	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	115.1	168.7	-52.7	171.9	0	0	0	107	D278 V438 G439 Y452 Y468 L470	D278-I454 HydrophobicContact CB-CD1 4.01Å; D278-I454 WeakPolarHBondContact OD2-CD1 3.28Å; V438-I454 HydrophobicContact CG2-CB 4.05Å; V438-I454 HydrophobicContact CG2-CG2 3.59Å; V438-I454 WeakPolarHBondContact CG2-O 3.07Å; V438-I454 PolarHBondContact N-O 2.81Å; G439-I454 PolarHBondContact N-O 3.1Å; G439-I454 PolarHBondContact O-N 3.39Å; Y452-I454 HydrophobicContact CD2-CG1 4.19Å; Y452-I454 HydrophobicContact CE2-CD1 4.34Å; Y452-I454 HydrophobicContact CE2-CG1 3.78Å; I454-Y468 HydrophobicContact CG2-CD1 4.08Å; I454-L470 HydrophobicContact CB-CD2 4.29Å; I454-L470 HydrophobicContact CG1-CD2 4.04Å; I454-L470 HydrophobicContact CG2-CD2 4.15Å
455	I	96.7	Very high	91.6	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.005	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	122.6	-172.9	-61.8	168.5	0	0	0	109.6	I404 I406 V435 A436 I437 W453 Y468 Y469 L471	I404-I455 HydrophobicContact CD1-CD1 4.45Å; I406-I455 HydrophobicContact CD1-CD1 4.3Å; V435-I455 HydrophobicContact CB-CG2 3.61Å; V435-I455 HydrophobicContact CG1-CG2 4.3Å; V435-I455 HydrophobicContact CG2-CG2 3.42Å; V435-I455 VanDerWaalsContact CG2-CG2 3.42Å; A436-I455 CarbonylContact O-C 3.48Å; A436-I455 VanDerWaalsContact O-CA 3.32Å; A436-I455 WeakPolarHBondContact O-CA 3.29Å; I437-I455 HydrophobicContact CG1-CG1 4.27Å; W453-I455 HydrophobicContact CB-CD1 4.25Å; W453-I455 HydrophobicContact CB-CG1 4.08Å; I455-Y468 CarbonylContact O-C 3.57Å; I455-Y468 VanDerWaalsContact O-CA 3.24Å; I455-Y468 WeakPolarHBondContact O-CA 3.31Å; I455-Y469 WeakPolarHBondContact CB-O 3.39Å; I455-Y469 HydrophobicContact CD1-CD1 3.97Å; I455-Y469 PolarHBondContact N-O 2.87Å; I455-Y469 PolarHBondContact O-N 2.98Å; I455-L471 HydrophobicContact CD1-CB 3.82Å; I455-L471 HydrophobicContact CD1-CD2 3.91Å
456	K	98.2	Very high	92.2	Very high	14 Å²	14	53 Å²	53	6%	0.061	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	124.3	171.8	-175	177.1	179.3	177.6	0	109.7	V285 T286 D287 V288 A304 A436 V438 Y468	V285-K456 HydrophobicContact CG1-CD 3.8Å; T286-K456 VanDerWaalsContact C-NZ 3.35Å; T286-K456 PolarHBondContact O-NZ 2.91Å; T286-K456 PolarHBondContact OG1-NZ 3.5Å; D287-K456 WeakPolarHBondContact O-CE 3.17Å; D287-K456 PolarHBondContact O-NZ 3.48Å; V288-K456 HydrophobicContact CG2-CG 4.41Å; A304-K456 HydrophobicContact CB-CD 4.49Å; A436-K456 HydrophobicContact CB-CB 4.49Å; A436-K456 PolarHBondContact N-O 3.23Å; A436-K456 PolarHBondContact O-N 2.61Å; V438-K456 HydrophobicContact CG1-CB 3.84Å; K456-Y468 HydrophobicContact CB-CD1 4.11Å; K456-Y468 HydrophobicContact CB-CE1 3.73Å; K456-Y468 HydrophobicContact CG-CE1 3.98Å
457	N	97.5	Very high	92.9	Very high	5 Å²	5	40.4 Å²	40.4	3%	0.027	21%	0.214	C	C	.	.			trans	-101.5	171	174.8	-158.9	1.5	0	0	0	111.6	H433 W459 W463 G467	H433-N457 PolarHBondContact NE2-OD1 3.49Å; N457-W459 VanDerWaalsContact ND2-CD2 3.27Å; N457-W459 VanDerWaalsContact ND2-CZ3 3.34Å; N457-W459 WeakPolarHBondContact ND2-CZ3 3.4Å; N457-W463 HydrophobicContact CB-CE3 4Å; N457-W463 HydrophobicContact CB-CH2 4.36Å; N457-W463 HydrophobicContact CB-CZ3 3.57Å; N457-W463 VanDerWaalsContact ND2-CE3 3.3Å; N457-W463 WeakPolarHBondContact ND2-CH2 3.23Å; N457-W463 WeakPolarHBondContact ND2-CZ3 3.09Å; N457-G467 VanDerWaalsContact CB-O 3.23Å; N457-G467 WeakPolarHBondContact CB-O 3.25Å; N457-G467 PolarHBondContact N-O 2.99Å
458	S	97	Very high	93.8	Very high	4 Å²	4	31.3 Å²	31.3	3%	0.028	18%	0.18	C	C	.	.	S	Bend	trans	-116.8	25.9	-178.3	50.7	0	0	0	0	112.8	K289 N290 Q291	K289-S458 CarbonylContact O-C 3.41Å; N290-S458 CarbonylContact C-O 3.6Å; N290-S458 WeakPolarHBondContact CA-O 3.35Å; Q291-S458 PolarHBondContact N-O 2.83Å; Q291-S458 PolarHBondContact OE1-OG 3.49Å
459	W	94.7	Very high	94.4	Very high	1 Å²	1	29.9 Å²	29.9	0%	0.004	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-103.7	18.9	179.4	-62	-19.9	0	0	0	113.1	K237 F238 F246 L251 Q291 A408 M411 H433 N457 W463	K237-W459 PolarHBondContact NZ-O 3.23Å; F238-W459 HydrophobicContact CD2-CE3 4.46Å; F238-W459 HydrophobicContact CE2-CB 4.44Å; F238-W459 AromaticContact CE2-CD2 3.83Å; F238-W459 HydrophobicContact CE2-CD2 3.83Å; F238-W459 AromaticContact CE2-CE3 3.44Å; F238-W459 HydrophobicContact CE2-CE3 3.44Å; F238-W459 VanDerWaalsContact CE2-CE3 3.44Å; F238-W459 HydrophobicContact CE2-CG 4.27Å; F238-W459 HydrophobicContact CE2-CZ3 4.07Å; F238-W459 HydrophobicContact CZ-CB 4.04Å; F238-W459 AromaticContact CZ-CD2 3.8Å; F238-W459 HydrophobicContact CZ-CD2 3.8Å; F238-W459 AromaticContact CZ-CE3 3.93Å; F238-W459 HydrophobicContact CZ-CE3 3.93Å; F238-W459 AromaticContact CZ-CG 3.85Å; F238-W459 HydrophobicContact CZ-CG 3.85Å; F246-W459 HydrophobicContact CE1-CH2 4.29Å; F246-W459 HydrophobicContact CE2-CH2 4.33Å; F246-W459 HydrophobicContact CE2-CZ2 4.41Å; F246-W459 AromaticContact CZ-CH2 3.46Å; F246-W459 HydrophobicContact CZ-CH2 3.46Å; F246-W459 VanDerWaalsContact CZ-CH2 3.46Å; F246-W459 AromaticContact CZ-CZ2 3.74Å; F246-W459 HydrophobicContact CZ-CZ2 3.74Å; F246-W459 AromaticContact CZ-CZ3 3.97Å; F246-W459 HydrophobicContact CZ-CZ3 3.97Å; L251-W459 HydrophobicContact CD2-CZ2 3.85Å; Q291-W459 VanDerWaalsContact OE1-CD1 3.25Å; Q291-W459 VanDerWaalsContact OE1-NE1 3.14Å; A408-W459 HydrophobicContact CB-CH2 4Å; A408-W459 HydrophobicContact CB-CZ2 4.36Å; M411-W459 HydrophobicContact CB-CH2 4.04Å; M411-W459 HydrophobicContact CB-CZ3 3.97Å; M411-W459 HydrophobicContact CE-CH2 4.43Å; M411-W459 HydrophobicContact CE-CZ3 4.45Å; H433-W459 AromaticContact CD2-CZ2 3.73Å; H433-W459 AromaticContact CE1-CE2 3.67Å; H433-W459 AromaticContact CE1-CZ2 3.56Å; H433-W459 AromaticContact CE1-NE1 3.48Å; H433-W459 PolarHBondContact CE1-NE1 2.96Å; H433-W459 AromaticContact NE2-CE2 3.62Å; H433-W459 AromaticContact NE2-CZ2 3.36Å; H433-W459 WeakPolarHBondContact NE2-CZ2 3.22Å; H433-W459 AromaticContact NE2-NE1 3.84Å; N457-W459 VanDerWaalsContact ND2-CD2 3.27Å; N457-W459 VanDerWaalsContact ND2-CZ3 3.34Å; N457-W459 WeakPolarHBondContact ND2-CZ3 3.4Å; W459-W463 HydrophobicContact CB-CB 4.3Å; W459-W463 HydrophobicContact CB-CG 4.32Å; W459-W463 AromaticContact CE3-CD1 3.94Å; W459-W463 AromaticContact CE3-CD2 3.66Å; W459-W463 HydrophobicContact CE3-CD2 3.66Å; W459-W463 AromaticContact CE3-CE2 3.44Å; W459-W463 VanDerWaalsContact CE3-CE2 3.44Å; W459-W463 HydrophobicContact CE3-CE3 4.27Å; W459-W463 HydrophobicContact CE3-CG 4Å; W459-W463 HydrophobicContact CE3-CH2 4.47Å; W459-W463 AromaticContact CE3-CZ2 3.88Å; W459-W463 HydrophobicContact CE3-CZ2 3.88Å; W459-W463 AromaticContact CE3-NE1 3.58Å; W459-W463 HydrophobicContact CZ3-CD2 4.28Å; W459-W463 AromaticContact CZ3-CE2 3.6Å; W459-W463 HydrophobicContact CZ3-CH2 4.35Å; W459-W463 AromaticContact CZ3-CZ2 3.63Å; W459-W463 HydrophobicContact CZ3-CZ2 3.63Å; W459-W463 AromaticContact CZ3-NE1 3.75Å
460	G	93.4	Very high	94.8	Very high	7 Å²	7	24.6 Å²	24.6	7%	0.072	14%	0.142	C	C	.	.			trans	74.5	165	-177.6	0	0	0	0	0	113.7	K289 S462 W463	K289-G460 WeakPolarHBondContact O-CA 3.36Å; K289-G460 PolarHBondContact O-N 3.31Å; G460-S462 PolarHBondContact O-N 3.48Å; G460-W463 PolarHBondContact O-N 3.2Å
461	T	93.4	Very high	95	Very high	87 Å²	87	24.3 Å²	24.3	53%	0.534	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-20.8	-174.2	51.9	0	0	0	0	114	V288 W463 D466	V288-T461 HydrophobicContact CB-CG2 3.91Å; V288-T461 HydrophobicContact CG1-CG2 4.33Å; T461-W463 PolarHBondContact O-N 2.86Å; T461-W463 VanDerWaalsContact O-N 3.14Å; T461-D466 CarbonylContact O-C 2.97Å; T461-D466 WeakPolarHBondContact O-CA 3.31Å
462	S	88.5	Confident	94.8	Very high	84 Å²	84	26.9 Å²	26.9	59%	0.587	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.5	2	178.9	80.1	0	0	0	0	114.2	G460	G460-S462 PolarHBondContact O-N 3.48Å
463	W	94.5	Very high	93.9	Very high	4 Å²	4	25.6 Å²	25.6	2%	0.015	14%	0.143	C	C	.	.	S	Bend	trans	-121.4	142.5	-179.7	174.1	91.4	0	0	0	109.4	F238 M411 Y414 N457 W459 G460 T461 G467 Y469	F238-W463 AromaticContact CD2-CD1 3.99Å; F238-W463 AromaticContact CE2-CD1 3.51Å; F238-W463 HydrophobicContact CE2-CG 4.25Å; F238-W463 AromaticContact CE2-NE1 3.89Å; M411-W463 HydrophobicContact CB-CH2 4.38Å; M411-W463 HydrophobicContact CB-CZ2 3.89Å; M411-W463 HydrophobicContact CE-CH2 3.67Å; M411-W463 HydrophobicContact CE-CZ2 4.22Å; M411-W463 HydrophobicContact CE-CZ3 4.48Å; M411-W463 WeakPolarHBondContact O-CZ2 3.46Å; M411-W463 PolarHBondContact O-NE1 3.44Å; M411-W463 VanDerWaalsContact O-NE1 3.17Å; Y414-W463 AromaticContact CD1-CH2 3.99Å; Y414-W463 HydrophobicContact CD1-CH2 3.99Å; Y414-W463 HydrophobicContact CD1-CZ2 4.08Å; N457-W463 HydrophobicContact CB-CE3 4Å; N457-W463 HydrophobicContact CB-CH2 4.36Å; N457-W463 HydrophobicContact CB-CZ3 3.57Å; N457-W463 VanDerWaalsContact ND2-CE3 3.3Å; N457-W463 WeakPolarHBondContact ND2-CH2 3.23Å; N457-W463 WeakPolarHBondContact ND2-CZ3 3.09Å; W459-W463 HydrophobicContact CB-CB 4.3Å; W459-W463 HydrophobicContact CB-CG 4.32Å; W459-W463 AromaticContact CE3-CD1 3.94Å; W459-W463 AromaticContact CE3-CD2 3.66Å; W459-W463 HydrophobicContact CE3-CD2 3.66Å; W459-W463 AromaticContact CE3-CE2 3.44Å; W459-W463 VanDerWaalsContact CE3-CE2 3.44Å; W459-W463 HydrophobicContact CE3-CE3 4.27Å; W459-W463 HydrophobicContact CE3-CG 4Å; W459-W463 HydrophobicContact CE3-CH2 4.47Å; W459-W463 AromaticContact CE3-CZ2 3.88Å; W459-W463 HydrophobicContact CE3-CZ2 3.88Å; W459-W463 AromaticContact CE3-NE1 3.58Å; W459-W463 HydrophobicContact CZ3-CD2 4.28Å; W459-W463 AromaticContact CZ3-CE2 3.6Å; W459-W463 HydrophobicContact CZ3-CH2 4.35Å; W459-W463 AromaticContact CZ3-CZ2 3.63Å; W459-W463 HydrophobicContact CZ3-CZ2 3.63Å; W459-W463 AromaticContact CZ3-NE1 3.75Å; G460-W463 PolarHBondContact O-N 3.2Å; T461-W463 PolarHBondContact O-N 2.86Å; T461-W463 VanDerWaalsContact O-N 3.14Å; W463-G467 WeakPolarHBondContact O-CA 3.49Å; W463-G467 PolarHBondContact O-N 3.41Å; W463-Y469 HydrophobicContact CH2-CD2 4.34Å; W463-Y469 HydrophobicContact CH2-CG 4.33Å
464	G	95.5	Very high	92.6	Very high	19 Å²	19	26.2 Å²	26.2	20%	0.196	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.2	-153	-178.7	0	0	0	0	0	113.2	R415 D466	R415-G464 CarbonylContact O-C 3.56Å; R415-G464 VanDerWaalsContact O-CA 3.24Å; R415-G464 WeakPolarHBondContact O-CA 3.33Å; R415-G464 VanDerWaalsContact O-O 3.11Å; G464-D466 PolarHBondContact O-N 3.46Å
465	E	95.5	Very high	90.7	Very high	61 Å²	61	26.5 Å²	26.5	29%	0.285	15%	0.151	S	C	.	.	B	Isolated β-bridge	trans	-84.7	88	174.3	-64	-169.3	172.9	0	0	109.1	Y414 R415 H416 G417 G467 Y468 L470	Y414-E465 HydrophobicContact CE1-CG 4.44Å; R415-E465 PolarHBondContact O-N 3.38Å; H416-E465 HydrophobicContact CB-CG 3.49Å; H416-E465 VanDerWaalsContact CB-CG 3.49Å; H416-E465 WeakPolarHBondContact CB-OE1 3.38Å; G417-E465 PolarHBondContact N-OE1 2.72Å; E465-G467 PolarHBondContact O-N 3.13Å; E465-G467 VanDerWaalsContact O-N 3.12Å; E465-Y468 PolarHBondContact N-O 3.24Å; E465-Y468 WeakPolarHBondContact O-CB 3.36Å; E465-Y468 WeakPolarHBondContact O-CD2 3.33Å; E465-Y468 PolarHBondContact O-N 2.91Å; E465-L470 VanDerWaalsContact OE2-CD1 3.28Å; E465-L470 WeakPolarHBondContact OE2-CD1 3.3Å
466	D	96.3	Very high	88.5	Confident	125 Å²	125	31.6 Å²	31.6	67%	0.668	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.6	34.6	-176.7	-60.7	-46.6	0	0	0	113.2	V288 T461 G464	V288-D466 WeakPolarHBondContact CG2-O 2.97Å; T461-D466 CarbonylContact O-C 2.97Å; T461-D466 WeakPolarHBondContact O-CA 3.31Å; G464-D466 PolarHBondContact O-N 3.46Å
467	G	96.3	Very high	86	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.9	-0.9	-176.7	0	0	0	0	0	115.8	N457 W463 E465	N457-G467 VanDerWaalsContact CB-O 3.23Å; N457-G467 WeakPolarHBondContact CB-O 3.25Å; N457-G467 PolarHBondContact N-O 2.99Å; W463-G467 WeakPolarHBondContact O-CA 3.49Å; W463-G467 PolarHBondContact O-N 3.41Å; E465-G467 PolarHBondContact O-N 3.13Å; E465-G467 VanDerWaalsContact O-N 3.12Å
468	Y	98.1	Very high	82.9	Confident	21 Å²	21	45.7 Å²	45.7	8%	0.082	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	154.6	179.2	-63.7	-90.8	0	0	0	112.4	R280 V288 Y414 V438 I454 I455 K456 E465	R280-Y468 WeakPolarHBondContact CD-OH 3.46Å; R280-Y468 HydrophobicContact CG-CE1 4.27Å; V288-Y468 HydrophobicContact CG2-CD2 4.2Å; V288-Y468 HydrophobicContact CG2-CE2 3.57Å; Y414-Y468 WeakPolarHBondContact CE1-O 3.48Å; V438-Y468 HydrophobicContact CG2-CD1 4.19Å; V438-Y468 HydrophobicContact CG2-CE1 3.9Å; I454-Y468 HydrophobicContact CG2-CD1 4.08Å; I455-Y468 CarbonylContact O-C 3.57Å; I455-Y468 VanDerWaalsContact O-CA 3.24Å; I455-Y468 WeakPolarHBondContact O-CA 3.31Å; K456-Y468 HydrophobicContact CB-CD1 4.11Å; K456-Y468 HydrophobicContact CB-CE1 3.73Å; K456-Y468 HydrophobicContact CG-CE1 3.98Å; E465-Y468 PolarHBondContact N-O 3.24Å; E465-Y468 WeakPolarHBondContact O-CB 3.36Å; E465-Y468 WeakPolarHBondContact O-CD2 3.33Å; E465-Y468 PolarHBondContact O-N 2.91Å
469	Y	96.1	Very high	79.5	Confident	4 Å²	4	50.2 Å²	50.2	2%	0.016	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	122.3	175.3	-178.1	-130.5	0	0	0	109.3	I406 M411 Y414 S419 I455 W463 L471	I406-Y469 HydrophobicContact CD1-CD1 4.26Å; I406-Y469 HydrophobicContact CD1-CE1 3.92Å; M411-Y469 HydrophobicContact CE-CD1 4.03Å; M411-Y469 HydrophobicContact CE-CG 4.19Å; M411-Y469 HydrophobicContact CG-CD1 4.03Å; M411-Y469 HydrophobicContact CG-CD2 4.49Å; M411-Y469 HydrophobicContact CG-CE1 3.74Å; M411-Y469 HydrophobicContact CG-CE2 4.23Å; M411-Y469 HydrophobicContact CG-CG 4.39Å; M411-Y469 HydrophobicContact SD-CD1 4.1Å; M411-Y469 HydrophobicContact SD-CE1 4.17Å; Y414-Y469 AromaticContact CD1-CD2 3.59Å; Y414-Y469 HydrophobicContact CD1-CD2 3.59Å; Y414-Y469 HydrophobicContact CD1-CE2 4.21Å; Y414-Y469 AromaticContact CD2-CD2 3.67Å; Y414-Y469 HydrophobicContact CD2-CD2 3.67Å; Y414-Y469 AromaticContact CD2-CE2 3.49Å; Y414-Y469 HydrophobicContact CD2-CE2 3.49Å; Y414-Y469 VanDerWaalsContact CD2-CE2 3.49Å; Y414-Y469 AromaticContact CE1-CD2 3.7Å; Y414-Y469 HydrophobicContact CE1-CD2 3.7Å; Y414-Y469 AromaticContact CE2-CD2 3.75Å; Y414-Y469 HydrophobicContact CE2-CD2 3.75Å; Y414-Y469 AromaticContact CE2-CE2 3.81Å; Y414-Y469 HydrophobicContact CE2-CE2 3.81Å; Y414-Y469 AromaticContact CG-CD2 3.55Å; Y414-Y469 HydrophobicContact CG-CD2 3.55Å; Y414-Y469 AromaticContact CG-CE2 3.67Å; Y414-Y469 HydrophobicContact CG-CE2 3.67Å; Y414-Y469 AromaticContact CZ-CD2 3.75Å; S419-Y469 VanDerWaalsContact CB-CE2 3.41Å; S419-Y469 VanDerWaalsContact CB-OH 3.27Å; S419-Y469 WeakPolarHBondContact CB-OH 3.44Å; S419-Y469 PolarHBondContact OG-OH 2.77Å; I455-Y469 WeakPolarHBondContact CB-O 3.39Å; I455-Y469 HydrophobicContact CD1-CD1 3.97Å; I455-Y469 PolarHBondContact N-O 2.87Å; I455-Y469 PolarHBondContact O-N 2.98Å; W463-Y469 HydrophobicContact CH2-CD2 4.34Å; W463-Y469 HydrophobicContact CH2-CG 4.33Å; Y469-L471 HydrophobicContact CD1-CB 4.09Å; Y469-L471 HydrophobicContact CE1-CB 3.79Å; Y469-L471 HydrophobicContact CE1-CD1 3.89Å; Y469-L471 HydrophobicContact CE1-CD2 4.12Å; Y469-L471 HydrophobicContact CE1-CG 4.14Å
470	L	95.4	Very high	76.2	Confident	17 Å²	17	56.6 Å²	56.6	9%	0.089	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	118.9	172.6	-52.3	-173.3	0	0	0	109.1	Y414 G417 I418 S419 Y452 W453 I454 E465	Y414-L470 PolarHBondContact OH-N 2.78Å; G417-L470 WeakPolarHBondContact O-CB 3.47Å; I418-L470 HydrophobicContact CG1-CB 4.23Å; I418-L470 HydrophobicContact CG1-CD1 4.36Å; S419-L470 VanDerWaalsContact CB-O 3.25Å; S419-L470 WeakPolarHBondContact CB-O 3.44Å; S419-L470 PolarHBondContact N-O 3.39Å; Y452-L470 HydrophobicContact CD2-CB 4.22Å; Y452-L470 HydrophobicContact CD2-CD1 4.38Å; Y452-L470 HydrophobicContact CD2-CD2 4.06Å; Y452-L470 HydrophobicContact CD2-CG 4.46Å; Y452-L470 HydrophobicContact CE2-CD1 4.22Å; Y452-L470 HydrophobicContact CE2-CD2 4.04Å; W453-L470 WeakPolarHBondContact O-CA 3.42Å; I454-L470 HydrophobicContact CB-CD2 4.29Å; I454-L470 HydrophobicContact CG1-CD2 4.04Å; I454-L470 HydrophobicContact CG2-CD2 4.15Å; E465-L470 VanDerWaalsContact OE2-CD1 3.28Å; E465-L470 WeakPolarHBondContact OE2-CD1 3.3Å
471	L	91.3	Very high	72.8	Confident	10 Å²	10	63.7 Å²	63.7	5%	0.052	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	126.9	-175.5	178.7	63.9	0	0	0	109.6	I406 P421 Y452 W453 I455 Y469 N473 I489	I406-L471 HydrophobicContact CD1-CD2 3.75Å; P421-L471 HydrophobicContact CG-CD1 4.21Å; Y452-L471 CarbonylContact C-O 3.52Å; Y452-L471 WeakPolarHBondContact CA-O 3.41Å; Y452-L471 WeakPolarHBondContact CB-O 3.34Å; W453-L471 PolarHBondContact N-O 3.32Å; W453-L471 PolarHBondContact O-N 3.4Å; W453-L471 VanDerWaalsContact O-N 3.14Å; I455-L471 HydrophobicContact CD1-CB 3.82Å; I455-L471 HydrophobicContact CD1-CD2 3.91Å; Y469-L471 HydrophobicContact CD1-CB 4.09Å; Y469-L471 HydrophobicContact CE1-CB 3.79Å; Y469-L471 HydrophobicContact CE1-CD1 3.89Å; Y469-L471 HydrophobicContact CE1-CD2 4.12Å; Y469-L471 HydrophobicContact CE1-CG 4.14Å; L471-N473 PolarHBondContact O-N 3.09Å; L471-I489 HydrophobicContact CD1-CD1 4.34Å; L471-I489 HydrophobicContact CD2-CD1 3.3Å; L471-I489 HydrophobicContact CD2-CG1 3.57Å; L471-I489 HydrophobicContact CG-CD1 3.49Å; L471-I489 VanDerWaalsContact CG-CD1 3.49Å; L471-I489 HydrophobicContact CG-CG1 4.27Å
472	R	88.1	Confident	69.4	Low	68 Å²	68	66.9 Å²	66.9	26%	0.257	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.2	130.5	175.3	175.4	-178.1	170.4	164.6	-3.5	109.7	I418 S419 H420 L450 P451 I489	I418-R472 HydrophobicContact CG2-CB 4.07Å; S419-R472 WeakPolarHBondContact O-CB 3.49Å; S419-R472 PolarHBondContact O-N 3.25Å; H420-R472 HydrophobicContact CB-CB 4.15Å; H420-R472 PolarHBondContact CE1-NH1 3.2Å; H420-R472 VanDerWaalsContact CG-CD 3.44Å; H420-R472 WeakPolarHBondContact ND1-CD 3.03Å; H420-R472 PolarHBondContact ND1-NH1 3.24Å; L450-R472 HydrophobicContact CD1-CB 4.41Å; L450-R472 HydrophobicContact CD1-CG 3.86Å; P451-R472 WeakPolarHBondContact O-CA 2.97Å; R472-I489 WeakPolarHBondContact O-CD1 3.48Å
473	N	74.3	Confident	66.3	Low	4 Å²	4	68.9 Å²	68.9	2%	0.021	36%	0.36	C	S	.	.			trans	-106.8	166.2	174	76.5	27	0	0	0	111	E389 P451 Y452 W453 L471 L475	E389-N473 WeakPolarHBondContact OE2-CA 3.2Å; E389-N473 WeakPolarHBondContact OE2-CB 3.03Å; P451-N473 VanDerWaalsContact C-CG 3.49Å; P451-N473 WeakPolarHBondContact CB-OD1 3.14Å; P451-N473 WeakPolarHBondContact CG-O 3.34Å; P451-N473 WeakPolarHBondContact CG-OD1 3.16Å; P451-N473 PolarHBondContact O-N 3.22Å; P451-N473 PolarHBondContact O-OD1 3.15Å; Y452-N473 WeakPolarHBondContact CA-ND2 3.26Å; Y452-N473 PolarHBondContact N-ND2 3.19Å; Y452-N473 PolarHBondContact O-ND2 3.03Å; W453-N473 HydrophobicContact CD2-CB 4.16Å; W453-N473 HydrophobicContact CG-CB 3.94Å; W453-N473 HydrophobicContact CZ2-CB 4.41Å; L471-N473 PolarHBondContact O-N 3.09Å; N473-L475 HydrophobicContact CB-CG 4.44Å; N473-L475 WeakPolarHBondContact ND2-CD1 3.32Å; N473-L475 VanDerWaalsContact OD1-CB 3.29Å; N473-L475 WeakPolarHBondContact OD1-CB 3.26Å; N473-L475 WeakPolarHBondContact OD1-CG 3.15Å; N473-L475 PolarHBondContact OD1-N 3.12Å; N473-L475 VanDerWaalsContact OD1-N 3.1Å
474	G	65.8	Low	62.9	Low	13 Å²	13	74.6 Å²	74.6	13%	0.134	39%	0.387	C	S	.	.			trans	-90.6	6.9	176.3	0	0	0	0	0	114.1	E389 H476 S477	E389-G474 PolarHBondContact OE2-N 3.24Å; G474-H476 PolarHBondContact O-N 3.22Å; G474-S477 VanDerWaalsContact O-CB 3.3Å; G474-S477 WeakPolarHBondContact O-CB 2.98Å; G474-S477 PolarHBondContact O-N 3.04Å; G474-S477 PolarHBondContact O-OG 3.18Å
475	L	58.8	Low	59.7	Low	7 Å²	7	77.3 Å²	77.3	4%	0.037	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56	139.5	-178.4	-63.5	178.1	0	0	0	110.6	E389 N390 A393 F440 P451 W453 N473 S477	E389-L475 VanDerWaalsContact C-CD2 3.48Å; E389-L475 HydrophobicContact CB-CD2 4.1Å; E389-L475 VanDerWaalsContact O-CD2 3.32Å; E389-L475 WeakPolarHBondContact O-CD2 3.44Å; N390-L475 HydrophobicContact CB-CD2 4.18Å; N390-L475 VanDerWaalsContact OD1-CD2 3.25Å; N390-L475 WeakPolarHBondContact OD1-CD2 3.43Å; A393-L475 HydrophobicContact CB-CD1 3.94Å; A393-L475 HydrophobicContact CB-CD2 3.84Å; F440-L475 HydrophobicContact CB-CD1 4.35Å; F440-L475 HydrophobicContact CD2-CD1 4.15Å; F440-L475 HydrophobicContact CG-CD1 4.29Å; P451-L475 HydrophobicContact CB-CB 4.28Å; P451-L475 WeakPolarHBondContact CG-O 3.5Å; W453-L475 HydrophobicContact CH2-CD1 4.48Å; N473-L475 HydrophobicContact CB-CG 4.44Å; N473-L475 WeakPolarHBondContact ND2-CD1 3.32Å; N473-L475 VanDerWaalsContact OD1-CB 3.29Å; N473-L475 WeakPolarHBondContact OD1-CB 3.26Å; N473-L475 WeakPolarHBondContact OD1-CG 3.15Å; N473-L475 PolarHBondContact OD1-N 3.12Å; N473-L475 VanDerWaalsContact OD1-N 3.1Å; L475-S477 VanDerWaalsContact C-N 3.29Å; L475-S477 PolarHBondContact O-N 3.19Å
476	H	49.1	Very low	56.5	Low	108 Å²	108	77.7 Å²	77.7	50%	0.5	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.7	13.9	178.3	-49.9	87.7	0	0	0	117.2	G474 R478	G474-H476 PolarHBondContact O-N 3.22Å; H476-R478 PolarHBondContact O-N 2.85Å
477	S	45.7	Very low	53.3	Low	61 Å²	61	77.1 Å²	77.1	43%	0.427	40%	0.399	S	S	.	.			trans	-74.5	16.8	-177	53.9	0	0	0	0	116.4	G474 L475 A479 M480	G474-S477 VanDerWaalsContact O-CB 3.3Å; G474-S477 WeakPolarHBondContact O-CB 2.98Å; G474-S477 PolarHBondContact O-N 3.04Å; G474-S477 PolarHBondContact O-OG 3.18Å; L475-S477 VanDerWaalsContact C-N 3.29Å; L475-S477 PolarHBondContact O-N 3.19Å; S477-A479 PolarHBondContact O-N 3.09Å; S477-M480 PolarHBondContact O-N 2.78Å
478	R	32.6	Very low	50.2	Low	255 Å²	255	78 Å²	78	96%	0.962	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-0.7	-178.4	-85	-173.5	177.6	-178.7	0.6	116.1	H476	H476-R478 PolarHBondContact O-N 2.85Å
479	A	26	Very low	47.3	Very low	99 Å²	99	77.8 Å²	77.8	82%	0.818	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.3	7.6	-179	0	0	0	0	0	115.6	S477	S477-A479 PolarHBondContact O-N 3.09Å
480	M	25	Very low	44.1	Very low	134 Å²	134	78.3 Å²	78.3	66%	0.66	41%	0.411	S	S	*	.			trans	-104.6	94.3	175.1	-153.7	154.3	80.2	0	0	111	S477 M482	S477-M480 PolarHBondContact O-N 2.78Å; M480-M482 PolarHBondContact O-N 2.75Å
481	L	22	Very low	40.9	Very low	157 Å²	157	81.7 Å²	81.7	82%	0.822	43%	0.425	S	S	*	.			trans	-47.4	129.3	169.3	-85.3	152.7	0	0	0	111.5
482	M	22.1	Very low	38.1	Very low	153 Å²	153	81.6 Å²	81.6	75%	0.754	43%	0.425	S	S	*	.	S	Bend	trans	75.6	96.8	148.4	-54.2	-69.1	-73.8	0	0	118.4	M480	M480-M482 PolarHBondContact O-N 2.75Å
483	T	23.1	Very low	35.6	Very low	126 Å²	126	78.6 Å²	78.6	77%	0.773	41%	0.414	S	S	*	.	S	Bend		102.2	-21.3	126.8	16.6	0	0	0	0	125.6
484	E	24.1	Very low	33.5	Very low	125 Å²	125	80.7 Å²	80.7	58%	0.584	43%	0.429	S	S	*	.	S	Bend	trans	-139.6	1.1	-165.7	-69	-162.5	165.9	0	0	122.3	S423	S423-E484 PolarHBondContact OG-O 3.23Å
485	M	27.3	Very low	31.9	Very low	75 Å²	75	80.5 Å²	80.5	37%	0.369	43%	0.426	S	S	.	.	S	Bend	trans	-134.7	19.7	-163.8	-63.2	-173.6	84.9	0	0	118.8	H420	H420-M485 VanDerWaalsContact NE2-CE 3.27Å; H420-M485 WeakPolarHBondContact NE2-CE 3.19Å
486	V	30.3	Very low	30.6	Very low	69 Å²	69	80.2 Å²	80.2	42%	0.418	42%	0.424	S	S	.	.	S	Bend	trans	-126.1	16.9	-176.8	-148.8	0	0	0	0	114.6	A490	V486-A490 VanDerWaalsContact O-CB 3.31Å; V486-A490 WeakPolarHBondContact O-CB 3.45Å
487	N	28.6	Very low	30	Very low	113 Å²	113	75 Å²	75	60%	0.604	40%	0.4	S	S	*	.	H	α-helix	trans	-97.1	0.3	-177.6	-80.1	-14.5	0	0	0	115	F491	N487-F491 VanDerWaalsContact O-CB 3.26Å; N487-F491 WeakPolarHBondContact O-CB 3.45Å; N487-F491 PolarHBondContact O-N 2.97Å
488	S	31.2	Very low	29.6	Very low	19 Å²	19	72.1 Å²	72.1	13%	0.133	38%	0.38	C	S	.	.	H	α-helix	trans	-85.6	-21.7	-171.8	-65.6	0	0	0	0	114.2	S423 C426 A492	S423-S488 WeakPolarHBondContact CA-OG 3.43Å; S423-S488 PolarHBondContact O-OG 2.87Å; C426-S488 VanDerWaalsContact CB-OG 3.32Å; C426-S488 WeakPolarHBondContact CB-OG 3.29Å; S488-A492 WeakPolarHBondContact O-CB 3.29Å
489	I	36.1	Very low	29.5	Very low	16 Å²	16	60.6 Å²	60.6	8%	0.082	34%	0.338	C	S	.	.	H	α-helix	trans	-116	-45.8	176.7	-63.7	163.6	0	0	0	108.3	E389 L471 R472 F491 A492 I493	E389-I489 HydrophobicContact CG-CG2 4.4Å; E389-I489 VanDerWaalsContact OE1-CB 3.3Å; E389-I489 WeakPolarHBondContact OE1-CB 3.47Å; L471-I489 HydrophobicContact CD1-CD1 4.34Å; L471-I489 HydrophobicContact CD2-CD1 3.3Å; L471-I489 HydrophobicContact CD2-CG1 3.57Å; L471-I489 HydrophobicContact CG-CD1 3.49Å; L471-I489 VanDerWaalsContact CG-CD1 3.49Å; L471-I489 HydrophobicContact CG-CG1 4.27Å; R472-I489 WeakPolarHBondContact O-CD1 3.48Å; I489-F491 PolarHBondContact O-N 2.68Å; I489-A492 PolarHBondContact O-N 2.82Å; I489-I493 HydrophobicContact CB-CD1 4.45Å; I489-I493 HydrophobicContact CG2-CD1 3.36Å; I489-I493 HydrophobicContact CG2-CG1 3.99Å; I489-I493 WeakPolarHBondContact O-CB 3.36Å; I489-I493 WeakPolarHBondContact O-CD1 3.5Å; I489-I493 WeakPolarHBondContact O-CG1 3.49Å; I489-I493 PolarHBondContact O-N 3.12Å
490	A	30.1	Very low	29.8	Very low	16 Å²	16	57.9 Å²	57.9	13%	0.132	31%	0.311	C	S	.	.	H	α-helix	trans	-50.1	-24.4	172	0	0	0	0	0	114.6	Q387 V486	Q387-A490 WeakPolarHBondContact CB-O 3.11Å; Q387-A490 VanDerWaalsContact CG-O 3.24Å; Q387-A490 WeakPolarHBondContact CG-O 3.45Å; Q387-A490 WeakPolarHBondContact O-CA 3.34Å; V486-A490 VanDerWaalsContact O-CB 3.31Å; V486-A490 WeakPolarHBondContact O-CB 3.45Å
491	F	27.5	Very low	30	Very low	88 Å²	88	56.4 Å²	56.4	39%	0.386	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.6	-14.3	178	-131	-68.6	0	0	0	112.8	P428 N487 I489 I493 C494	P428-F491 HydrophobicContact CB-CB 3.39Å; P428-F491 HydrophobicContact CB-CD1 3.7Å; P428-F491 HydrophobicContact CB-CG 3.9Å; P428-F491 VanDerWaalsContact CB-O 3.28Å; P428-F491 WeakPolarHBondContact CB-O 3Å; P428-F491 HydrophobicContact CG-CB 3.71Å; P428-F491 HydrophobicContact CG-CD1 3.9Å; P428-F491 HydrophobicContact CG-CG 3.97Å; N487-F491 VanDerWaalsContact O-CB 3.26Å; N487-F491 WeakPolarHBondContact O-CB 3.45Å; N487-F491 PolarHBondContact O-N 2.97Å; I489-F491 PolarHBondContact O-N 2.68Å; F491-I493 VanDerWaalsContact C-N 3.32Å; F491-C494 WeakPolarHBondContact O-CB 3.49Å; F491-C494 PolarHBondContact O-N 2.76Å
492	A	31.8	Very low	30.2	Very low	7 Å²	7	51.5 Å²	51.5	6%	0.058	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-22.7	165.5	0	0	0	0	0	112.9	G405 L431 S488 I489 C494	G405-A492 CarbonylContact O-C 3.32Å; L431-A492 VanDerWaalsContact CD1-O 3.29Å; L431-A492 WeakPolarHBondContact CD1-O 3.29Å; L431-A492 HydrophobicContact CD2-CB 3.43Å; L431-A492 VanDerWaalsContact CD2-CB 3.43Å; S488-A492 WeakPolarHBondContact O-CB 3.29Å; I489-A492 PolarHBondContact O-N 2.82Å; A492-C494 PolarHBondContact O-N 3.33Å
493	I	37.1	Very low	30.6	Very low	5 Å²	5	47.1 Å²	47.1	3%	0.026	28%	0.279	C	S	.	.			trans	-75.3	43.3	161	-49.7	149.1	0	0	0	109	I392 I404 I489 F491 C495	I392-I493 HydrophobicContact CD1-CB 4.16Å; I392-I493 HydrophobicContact CD1-CD1 3.2Å; I392-I493 HydrophobicContact CD1-CG1 4.12Å; I392-I493 HydrophobicContact CD1-CG2 3.72Å; I404-I493 HydrophobicContact CG2-CG1 4.37Å; I404-I493 HydrophobicContact CG2-CG2 4.35Å; I489-I493 HydrophobicContact CB-CD1 4.45Å; I489-I493 HydrophobicContact CG2-CD1 3.36Å; I489-I493 HydrophobicContact CG2-CG1 3.99Å; I489-I493 WeakPolarHBondContact O-CB 3.36Å; I489-I493 WeakPolarHBondContact O-CD1 3.5Å; I489-I493 WeakPolarHBondContact O-CG1 3.49Å; I489-I493 PolarHBondContact O-N 3.12Å; F491-I493 VanDerWaalsContact C-N 3.32Å; I493-C495 PolarHBondContact O-N 2.81Å
494	C	29.5	Very low	30.9	Very low	49 Å²	49	44.7 Å²	44.7	33%	0.331	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-4.3	168.7	-143.7	0	0	0	0	111.5	R257 L431 F491 A492	R257-C494 PolarHBondContact NH2-O 2.94Å; L431-C494 HydrophobicContact CD1-CB 3.85Å; F491-C494 WeakPolarHBondContact O-CB 3.49Å; F491-C494 PolarHBondContact O-N 2.76Å; A492-C494 PolarHBondContact O-N 3.33Å
495	C	32.8	Very low	31.1	Very low	9 Å²	9	43.9 Å²	43.9	6%	0.061	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-147.4	38.1	179.7	-69.9	0	0	0	0	111.5	W255 I493 I497	W255-C495 HydrophobicContact CZ2-CB 4.34Å; I493-C495 PolarHBondContact O-N 2.81Å; C495-I497 HydrophobicContact CB-CD1 4.16Å; C495-I497 HydrophobicContact CB-CG1 4.44Å; C495-I497 WeakPolarHBondContact O-CG1 3.44Å; C495-I497 PolarHBondContact O-N 2.75Å
496	G	31	Very low	31.2	Very low	0 Å²	0	42.4 Å²	42.4	0%	0	27%	0.265	C	S	.	.			trans	-64.2	90.2	164.6	0	0	0	0	0	108.3	E384 L385 A403	E384-G496 WeakPolarHBondContact CA-O 3.47Å; L385-G496 PolarHBondContact N-O 2.77Å; A403-G496 WeakPolarHBondContact O-CA 3.02Å
497	I	36.4	Very low	31.2	Very low	0 Å²	0	44.8 Å²	44.8	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	111.7	-176	-55.3	156.5	0	0	0	106.3	W341 Y344 V383 A403 C495	W341-I497 HydrophobicContact CB-CD1 3.31Å; W341-I497 HydrophobicContact CD2-CD1 3.72Å; W341-I497 HydrophobicContact CD2-CG1 4.31Å; W341-I497 HydrophobicContact CE3-CB 4.38Å; W341-I497 HydrophobicContact CE3-CD1 3.13Å; W341-I497 HydrophobicContact CE3-CG1 3.31Å; W341-I497 HydrophobicContact CE3-CG2 4.18Å; W341-I497 HydrophobicContact CG-CD1 3.88Å; W341-I497 HydrophobicContact CZ3-CB 4.41Å; W341-I497 HydrophobicContact CZ3-CD1 3.93Å; W341-I497 HydrophobicContact CZ3-CG1 3.58Å; W341-I497 HydrophobicContact CZ3-CG2 3.99Å; W341-I497 VanDerWaalsContact N-CD1 3.34Å; Y344-I497 HydrophobicContact CD2-CB 4.26Å; Y344-I497 HydrophobicContact CD2-CG2 3.49Å; Y344-I497 VanDerWaalsContact CD2-CG2 3.49Å; Y344-I497 HydrophobicContact CE2-CB 3.75Å; Y344-I497 HydrophobicContact CE2-CG2 3.43Å; Y344-I497 VanDerWaalsContact CE2-CG2 3.43Å; Y344-I497 PolarHBondContact OH-O 2.84Å; V383-I497 CarbonylContact O-C 3.57Å; V383-I497 WeakPolarHBondContact O-CA 3.15Å; V383-I497 WeakPolarHBondContact O-CG2 3.27Å; A403-I497 PolarHBondContact O-N 2.69Å; C495-I497 HydrophobicContact CB-CD1 4.16Å; C495-I497 HydrophobicContact CB-CG1 4.44Å; C495-I497 WeakPolarHBondContact O-CG1 3.44Å; C495-I497 PolarHBondContact O-N 2.75Å
498	V	36.6	Very low	31.2	Very low	0 Å²	0	47.4 Å²	47.4	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	140.3	178.4	-164.8	0	0	0	0	109.8	V383 L385 Y395 V402 V500	V383-V498 WeakPolarHBondContact CA-O 3.33Å; V383-V498 HydrophobicContact CG2-CB 4.3Å; V383-V498 WeakPolarHBondContact CG2-O 3.33Å; V383-V498 PolarHBondContact N-O 3.03Å; V383-V498 PolarHBondContact O-N 3.26Å; V383-V498 VanDerWaalsContact O-O 3.12Å; L385-V498 HydrophobicContact CD1-CG2 3.54Å; L385-V498 HydrophobicContact CD2-CB 4.47Å; L385-V498 HydrophobicContact CD2-CG2 3.82Å; L385-V498 HydrophobicContact CG-CG2 3.59Å; Y395-V498 HydrophobicContact CD1-CB 4.21Å; Y395-V498 HydrophobicContact CD1-CG1 4.02Å; Y395-V498 HydrophobicContact CD1-CG2 3.92Å; Y395-V498 HydrophobicContact CE1-CB 3.47Å; Y395-V498 VanDerWaalsContact CE1-CB 3.47Å; Y395-V498 HydrophobicContact CE1-CG1 3.08Å; Y395-V498 HydrophobicContact CE1-CG2 3.7Å; Y395-V498 WeakPolarHBondContact OH-CG1 3.36Å; V402-V498 HydrophobicContact CB-CG2 3.9Å; V402-V498 HydrophobicContact CG1-CG2 3.49Å; V402-V498 VanDerWaalsContact CG1-CG2 3.49Å; V402-V498 HydrophobicContact CG2-CG1 4.38Å; V402-V498 HydrophobicContact CG2-CG2 3.4Å; V402-V498 VanDerWaalsContact CG2-CG2 3.4Å; V498-V500 PolarHBondContact O-N 3.46Å
499	V	32	Very low	31.2	Very low	13 Å²	13	51.6 Å²	51.6	8%	0.079	32%	0.32	C	S	.	.			trans	-69	120.1	174.2	170.7	0	0	0	0	109.9	N305 Y344 I379 D381	N305-V499 WeakPolarHBondContact OD1-CG2 3.13Å; Y344-V499 HydrophobicContact CD1-CG2 3.96Å; Y344-V499 HydrophobicContact CE1-CG2 3.85Å; I379-V499 HydrophobicContact CB-CG1 4.08Å; I379-V499 HydrophobicContact CD1-CG2 4.19Å; I379-V499 HydrophobicContact CG2-CG1 3.9Å; I379-V499 HydrophobicContact CG2-CG2 4.09Å; D381-V499 WeakPolarHBondContact O-CG1 3.45Å
500	V	30.4	Very low	30.7	Very low	42 Å²	42	58.2 Å²	58.2	26%	0.255	35%	0.348	S	S	.	.			trans	-118.1	141.3	160.3	-179.4	0	0	0	0	105.7	D381 V383 Y395 V498 A502	D381-V500 CarbonylContact C-O 3.56Å; D381-V500 VanDerWaalsContact CB-O 3.31Å; D381-V500 WeakPolarHBondContact CB-O 3.44Å; V383-V500 HydrophobicContact CB-CB 4.49Å; V383-V500 HydrophobicContact CB-CG2 4.02Å; V383-V500 HydrophobicContact CG1-CB 3.35Å; V383-V500 HydrophobicContact CG1-CG1 4.44Å; V383-V500 HydrophobicContact CG1-CG2 3.33Å; V383-V500 HydrophobicContact CG2-CB 4.34Å; V383-V500 HydrophobicContact CG2-CG2 3.41Å; V383-V500 VanDerWaalsContact CG2-CG2 3.41Å; Y395-V500 HydrophobicContact CE2-CG2 4.44Å; Y395-V500 WeakPolarHBondContact OH-CG2 3.07Å; V498-V500 PolarHBondContact O-N 3.46Å; V500-A502 PolarHBondContact O-N 3.38Å
501	V	29.3	Very low	30.8	Very low	102 Å²	102	62 Å²	62	62%	0.618	37%	0.373	S	S	*	.	S	Bend	trans	-67.5	98.2	165.9	-176.1	0	0	0	0	109	N380	N380-V501 HydrophobicContact CB-CG1 4.02Å
502	A	27.4	Very low	31.1	Very low	54 Å²	54	62.2 Å²	62.2	45%	0.446	39%	0.386	S	S	.	.	S	Bend	trans	78.4	124.6	157.5	0	0	0	0	0	124.2	K264 D381 V500	K264-A502 PolarHBondContact NZ-O 3.32Å; D381-A502 VanDerWaalsContact OD2-CA 3.3Å; D381-A502 WeakPolarHBondContact OD2-CA 3.35Å; V500-A502 PolarHBondContact O-N 3.38Å
503	A	30.6	Very low	31.4	Very low	62 Å²	62	66.3 Å²	66.3	51%	0.512	41%	0.412	S	S	.	.			trans	104.9	128.8	136.9	0	0	0	0	0	126.1	K264 D381	K264-A503 VanDerWaalsContact CD-N 3.31Å; K264-A503 WeakPolarHBondContact CD-O 3.23Å; K264-A503 WeakPolarHBondContact CE-O 3.26Å; K264-A503 VanDerWaalsContact CG-O 3.27Å; K264-A503 WeakPolarHBondContact CG-O 3.34Å; K264-A503 PolarHBondContact NZ-O 2.95Å; D381-A503 PolarHBondContact OD2-N 2.69Å
504	P	29.8	Very low	32.3	Very low	75 Å²	75	72.8 Å²	72.8	49%	0.487	44%	0.441	S	S	.	.			trans	-121.7	172.4	-130.4	39.3	-23.6	0	0	0	119.7	K264	K264-P504 VanDerWaalsContact CB-CA 3.49Å; K264-P504 HydrophobicContact CB-CB 3.82Å
505	N	28.2	Very low	34.1	Very low	108 Å²	108	71.5 Å²	71.5	58%	0.578	43%	0.43	S	S	*	.			trans	164.8	132.3	133	-84.3	-15.9	0	0	0	118.6	A263	A263-N505 CarbonylContact O-C 3.6Å; A263-N505 VanDerWaalsContact O-CA 3.27Å; A263-N505 WeakPolarHBondContact O-CA 3.19Å; A263-N505 PolarHBondContact O-N 3.2Å; A263-N505 VanDerWaalsContact O-N 3.09Å
506	A	29.1	Very low	35.5	Very low	44 Å²	44	72.4 Å²	72.4	36%	0.364	44%	0.436	S	S	.	.			trans	58.9	149.3	139.1	0	0	0	0	0	121.6	A263	A263-A506 PolarHBondContact O-N 3.48Å
507	N	29.8	Very low	37	Very low	119 Å²	119	75.8 Å²	75.8	64%	0.636	46%	0.464	S	S	*	.			cis	-166	152.3	-4	-101.9	-5.1	0	0	0	110.6
508	E	29.8	Very low	38.5	Very low	168 Å²	168	79.1 Å²	79.1	79%	0.785	48%	0.482	S	S	*	.			trans	53.1	130.4	144.1	-62.7	-176.9	151.6	0	0	125.9
509	A	29.4	Very low	40	Very low	106 Å²	106	79.2 Å²	79.2	88%	0.876	48%	0.483	S	S	*	.				163.8	143	101.3	0	0	0	0	0	113.7
510	K	26.7	Very low	42.1	Very low	156 Å²	156	84 Å²	84	68%	0.678	51%	0.512	S	S	*	.			trans	-108	140.6	178.2	-80.9	173.9	176.4	156	0	111.8	K256	K256-K510 VanDerWaalsContact CG-NZ 3.3Å
511	S	31.6	Very low	44.4	Very low	95 Å²	95	85.5 Å²	85.5	66%	0.664	52%	0.519	S	S	*	.			trans	-110.8	155.7	178.7	60.9	0	0	0	0	114.1
512	S	33	Very low	46.7	Very low	92 Å²	92	81.5 Å²	81.5	64%	0.643	50%	0.495	S	S	*	.			trans	-80.3	169.1	-173.3	-122.1	0	0	0	0	113.1	H514	S512-H514 PolarHBondContact O-CD2 3.04Å; S512-H514 PolarHBondContact O-N 3.45Å
513	P	39.7	Very low	49	Very low	93 Å²	93	82.3 Å²	82.3	60%	0.604	50%	0.498	S	S	*	.			trans	-69.9	118.9	-176.6	27.9	-30.5	0	0	0	110.8
514	H	56.1	Low	51.2	Low	141 Å²	141	81.8 Å²	81.8	65%	0.653	49%	0.485	S	S	*	.			trans	-112.3	141.9	179.9	-73	-68.4	0	0	0	110.6	S512	S512-H514 PolarHBondContact O-CD2 3.04Å; S512-H514 PolarHBondContact O-N 3.45Å
515	F	65.5	Low	53.7	Low	22 Å²	22	78.2 Å²	78.2	10%	0.096	46%	0.461	C	S	.	.			trans	-57.8	135.4	163.3	-171.3	-86.9	0	0	0	108.4	A517 I519 L525 L561 R564 R565 W566	F515-A517 PolarHBondContact O-N 3.23Å; F515-I519 HydrophobicContact CE1-CB 4.34Å; F515-L525 HydrophobicContact CE2-CD1 4.06Å; F515-L525 HydrophobicContact CE2-CD2 4.45Å; F515-L525 HydrophobicContact CZ-CD1 3.85Å; F515-L525 HydrophobicContact CZ-CD2 4.24Å; F515-L561 HydrophobicContact CE1-CD1 4.02Å; F515-L561 HydrophobicContact CZ-CD1 3.86Å; F515-R564 HydrophobicContact CB-CB 4.23Å; F515-R564 HydrophobicContact CD1-CB 4.47Å; F515-R564 VanDerWaalsContact CD1-CD 3.46Å; F515-R564 VanDerWaalsContact CD2-C 3.41Å; F515-R564 HydrophobicContact CG-CB 4.17Å; F515-R565 WeakPolarHBondContact CD2-O 3.48Å; F515-R565 WeakPolarHBondContact CE2-O 3.36Å; F515-W566 HydrophobicContact CD2-CB 4.14Å; F515-W566 HydrophobicContact CD2-CE3 4.42Å
516	P	63.8	Low	56.3	Low	28 Å²	28	74.6 Å²	74.6	18%	0.182	44%	0.441	C	S	.	.			trans	-52.9	118	179.7	-25.9	34.2	0	0	0	110.5	N518 I519 Q528 R564 W566	P516-N518 PolarHBondContact O-N 2.94Å; P516-I519 HydrophobicContact CB-CD1 3.56Å; P516-I519 HydrophobicContact CB-CG1 3.81Å; P516-I519 HydrophobicContact CG-CD1 3.78Å; P516-I519 PolarHBondContact O-N 3.24Å; P516-Q528 HydrophobicContact CG-CG 4.31Å; P516-R564 PolarHBondContact O-NH1 3Å; P516-W566 HydrophobicContact CG-CE3 4.31Å; P516-W566 HydrophobicContact CG-CZ3 4.32Å
517	A	61.6	Low	58.4	Low	72 Å²	72	74 Å²	74	60%	0.595	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-32.3	-167.5	0	0	0	0	0	112.7	F515 R564	F515-A517 PolarHBondContact O-N 3.23Å; A517-R564 PolarHBondContact O-NH1 2.89Å
518	N	67.6	Low	60.7	Low	70 Å²	70	69.2 Å²	69.2	37%	0.374	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-7	-168.2	-62.9	10.8	0	0	0	114.4	P516 T520	P516-N518 PolarHBondContact O-N 2.94Å; N518-T520 PolarHBondContact O-N 3.01Å
519	I	69.4	Low	63.2	Low	2 Å²	2	61.2 Å²	61.2	1%	0.01	37%	0.368	C	S	.	.			trans	-74.2	119	179.7	-62.1	179.8	0	0	0	108.9	F515 P516 E524 L525 Q528 L561	F515-I519 HydrophobicContact CE1-CB 4.34Å; P516-I519 HydrophobicContact CB-CD1 3.56Å; P516-I519 HydrophobicContact CB-CG1 3.81Å; P516-I519 HydrophobicContact CG-CD1 3.78Å; P516-I519 PolarHBondContact O-N 3.24Å; I519-E524 WeakPolarHBondContact CA-OE2 3.43Å; I519-E524 HydrophobicContact CG1-CG 4.18Å; I519-E524 HydrophobicContact CG2-CB 4.12Å; I519-E524 HydrophobicContact CG2-CG 4.15Å; I519-L525 HydrophobicContact CD1-CD1 4.17Å; I519-L525 HydrophobicContact CG2-CB 3.82Å; I519-L525 HydrophobicContact CG2-CD1 4.42Å; I519-Q528 HydrophobicContact CD1-CB 3.61Å; I519-Q528 HydrophobicContact CD1-CG 3.69Å; I519-L561 HydrophobicContact CB-CD1 4.47Å; I519-L561 HydrophobicContact CG2-CD1 3.83Å; I519-L561 WeakPolarHBondContact O-CD1 3.33Å
520	T	75.4	Confident	65.4	Low	114 Å²	114	57.4 Å²	57.4	70%	0.699	33%	0.333	S	S	*	.			trans	-119.5	-13.2	-177.4	57.9	0	0	0	0	113.8	N518 E524	N518-T520 PolarHBondContact O-N 3.01Å; T520-E524 PolarHBondContact N-OE2 3Å
521	D	79.3	Confident	67.3	Low	73 Å²	73	50.1 Å²	50.1	39%	0.39	30%	0.301	S	S	.	.	S	Bend	trans	-120.6	150.5	175.9	-178	41.8	0	0	0	113	S523 E524 L525	D521-S523 VanDerWaalsContact C-N 3.31Å; D521-S523 PolarHBondContact O-N 3.27Å; D521-S523 VanDerWaalsContact OD2-CB 3.23Å; D521-S523 WeakPolarHBondContact OD2-CB 3.29Å; D521-S523 PolarHBondContact OD2-N 3.13Å; D521-S523 PolarHBondContact OD2-OG 3.33Å; D521-E524 PolarHBondContact O-N 3.47Å; D521-L525 PolarHBondContact O-N 3.27Å
522	S	76.4	Confident	69.1	Low	18 Å²	18	48.1 Å²	48.1	13%	0.126	29%	0.285	C	S	.	.	H	α-helix	trans	-64.3	-31.4	177	54.7	0	0	0	0	113.4	L525 E526	S522-L525 PolarHBondContact O-N 2.99Å; S522-E526 WeakPolarHBondContact O-CG 3.33Å; S522-E526 PolarHBondContact O-N 2.94Å
523	S	75.6	Confident	71.1	Confident	71 Å²	71	44.2 Å²	44.2	50%	0.497	26%	0.256	S	S	.	.	H	α-helix	trans	-71.1	-38.8	176.8	71.3	0	0	0	0	111.8	D521 L525 E526 L527	D521-S523 VanDerWaalsContact C-N 3.31Å; D521-S523 PolarHBondContact O-N 3.27Å; D521-S523 VanDerWaalsContact OD2-CB 3.23Å; D521-S523 WeakPolarHBondContact OD2-CB 3.29Å; D521-S523 PolarHBondContact OD2-N 3.13Å; D521-S523 PolarHBondContact OD2-OG 3.33Å; S523-L525 VanDerWaalsContact C-N 3.34Å; S523-E526 WeakPolarHBondContact O-CB 3.5Å; S523-E526 PolarHBondContact O-N 2.92Å; S523-L527 WeakPolarHBondContact O-CB 3.38Å; S523-L527 PolarHBondContact O-N 3.03Å
524	E	77.3	Confident	72.4	Confident	51 Å²	51	40.1 Å²	40.1	24%	0.238	23%	0.229	C	C	.	.	H	α-helix	trans	-64.6	-38.7	173.3	-171.8	-175.1	-170.4	0	0	111.3	I519 T520 D521 L527 Q528	I519-E524 WeakPolarHBondContact CA-OE2 3.43Å; I519-E524 HydrophobicContact CG1-CG 4.18Å; I519-E524 HydrophobicContact CG2-CB 4.12Å; I519-E524 HydrophobicContact CG2-CG 4.15Å; T520-E524 PolarHBondContact N-OE2 3Å; D521-E524 PolarHBondContact O-N 3.47Å; E524-L527 WeakPolarHBondContact O-CB 3.48Å; E524-L527 PolarHBondContact O-N 2.92Å; E524-Q528 WeakPolarHBondContact O-CB 3.36Å; E524-Q528 PolarHBondContact O-N 2.54Å
525	L	82.4	Confident	73.1	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-65.2	-42.8	172.5	-174.6	61.5	0	0	0	112.4	F515 I519 D521 S522 S523 L527 Q528 L529 T557 M560 L561 W566	F515-L525 HydrophobicContact CE2-CD1 4.06Å; F515-L525 HydrophobicContact CE2-CD2 4.45Å; F515-L525 HydrophobicContact CZ-CD1 3.85Å; F515-L525 HydrophobicContact CZ-CD2 4.24Å; I519-L525 HydrophobicContact CD1-CD1 4.17Å; I519-L525 HydrophobicContact CG2-CB 3.82Å; I519-L525 HydrophobicContact CG2-CD1 4.42Å; D521-L525 PolarHBondContact O-N 3.27Å; S522-L525 PolarHBondContact O-N 2.99Å; S523-L525 VanDerWaalsContact C-N 3.34Å; L525-L527 VanDerWaalsContact C-N 3.26Å; L525-L527 PolarHBondContact O-N 3.43Å; L525-Q528 WeakPolarHBondContact O-CB 3.37Å; L525-Q528 PolarHBondContact O-N 3.02Å; L525-L529 HydrophobicContact CG-CD1 4.36Å; L525-L529 VanDerWaalsContact O-CG 3.3Å; L525-L529 WeakPolarHBondContact O-CG 3.31Å; L525-L529 PolarHBondContact O-N 3.05Å; L525-T557 VanDerWaalsContact CD2-O 3.3Å; L525-T557 WeakPolarHBondContact CD2-O 3.42Å; L525-M560 HydrophobicContact CD2-CB 3.77Å; L525-L561 HydrophobicContact CD2-CB 4.02Å; L525-W566 HydrophobicContact CD1-CE3 4.42Å; L525-W566 HydrophobicContact CD1-CZ3 3.93Å
526	E	83	Confident	73.4	Confident	31 Å²	31	34.8 Å²	34.8	15%	0.145	21%	0.209	C	C	.	.	H	α-helix	trans	-58.9	-43.4	174.9	-80.6	174.7	-161.1	0	0	110.8	S522 S523 L529 L530 T557	S522-E526 WeakPolarHBondContact O-CG 3.33Å; S522-E526 PolarHBondContact O-N 2.94Å; S523-E526 WeakPolarHBondContact O-CB 3.5Å; S523-E526 PolarHBondContact O-N 2.92Å; E526-L529 PolarHBondContact O-N 3.27Å; E526-L530 WeakPolarHBondContact O-CB 3.46Å; E526-L530 VanDerWaalsContact O-CG 3.31Å; E526-L530 WeakPolarHBondContact O-CG 3.32Å; E526-L530 PolarHBondContact O-N 3.05Å; E526-T557 HydrophobicContact CG-CG2 3.69Å; E526-T557 PolarHBondContact OE1-OG1 3.2Å
527	L	73.7	Confident	74.2	Confident	31 Å²	31	36.9 Å²	36.9	16%	0.162	22%	0.221	C	C	.	.	H	α-helix	trans	-60.6	-47.1	175.2	-150.4	104.2	0	0	0	111.5	M222 W422 F424 S523 E524 L525 L529 L530 L531	M222-L527 HydrophobicContact CE-CD1 3.39Å; M222-L527 HydrophobicContact CE-CG 3.8Å; M222-L527 HydrophobicContact CG-CD1 3.83Å; M222-L527 HydrophobicContact CG-CD2 4.09Å; M222-L527 HydrophobicContact CG-CG 4.18Å; M222-L527 HydrophobicContact SD-CD1 3.38Å; M222-L527 WeakPolarHBondContact SD-CD1 3.09Å; M222-L527 HydrophobicContact SD-CD2 3.62Å; M222-L527 HydrophobicContact SD-CG 3.29Å; M222-L527 WeakPolarHBondContact SD-CG 2.95Å; W422-L527 HydrophobicContact CE3-CD2 3.97Å; W422-L527 HydrophobicContact CH2-CD2 3.76Å; W422-L527 HydrophobicContact CZ3-CD2 3.13Å; F424-L527 HydrophobicContact CZ-CD2 4.35Å; S523-L527 WeakPolarHBondContact O-CB 3.38Å; S523-L527 PolarHBondContact O-N 3.03Å; E524-L527 WeakPolarHBondContact O-CB 3.48Å; E524-L527 PolarHBondContact O-N 2.92Å; L525-L527 VanDerWaalsContact C-N 3.26Å; L525-L527 PolarHBondContact O-N 3.43Å; L527-L529 VanDerWaalsContact C-N 3.31Å; L527-L529 PolarHBondContact O-N 3.46Å; L527-L530 PolarHBondContact O-N 3.25Å; L527-L531 HydrophobicContact CD2-CD1 3.74Å; L527-L531 HydrophobicContact CG-CD1 4.2Å; L527-L531 WeakPolarHBondContact O-CB 3.24Å; L527-L531 VanDerWaalsContact O-CG 3.25Å; L527-L531 WeakPolarHBondContact O-CG 3.37Å; L527-L531 PolarHBondContact O-N 2.89Å
528	Q	77.3	Confident	75.2	Confident	20 Å²	20	33.5 Å²	33.5	9%	0.093	19%	0.193	C	C	.	.	H	α-helix	trans	-58.3	-43.1	176.3	179.4	73.4	54.2	0	0	111.5	F424 P516 I519 E524 L525 L531 T532 W566	F424-Q528 VanDerWaalsContact CG-OE1 3.23Å; P516-Q528 HydrophobicContact CG-CG 4.31Å; I519-Q528 HydrophobicContact CD1-CB 3.61Å; I519-Q528 HydrophobicContact CD1-CG 3.69Å; E524-Q528 WeakPolarHBondContact O-CB 3.36Å; E524-Q528 PolarHBondContact O-N 2.54Å; L525-Q528 WeakPolarHBondContact O-CB 3.37Å; L525-Q528 PolarHBondContact O-N 3.02Å; Q528-L531 PolarHBondContact O-N 3.02Å; Q528-T532 PolarHBondContact NE2-OG1 3.48Å; Q528-T532 VanDerWaalsContact NE2-OG1 3.1Å; Q528-T532 WeakPolarHBondContact O-CB 3.31Å; Q528-T532 PolarHBondContact O-N 3.48Å; Q528-T532 PolarHBondContact O-OG1 2.91Å; Q528-W566 HydrophobicContact CG-CH2 3.48Å; Q528-W566 VanDerWaalsContact CG-CH2 3.48Å; Q528-W566 HydrophobicContact CG-CZ2 4.48Å; Q528-W566 HydrophobicContact CG-CZ3 3.78Å
529	L	81.8	Confident	75.6	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-65.7	-43.7	178	-67.9	169.5	0	0	0	111.2	L525 E526 L527 L531 T532 F533 W553 T557 M560 W566 L573	L525-L529 HydrophobicContact CG-CD1 4.36Å; L525-L529 VanDerWaalsContact O-CG 3.3Å; L525-L529 WeakPolarHBondContact O-CG 3.31Å; L525-L529 PolarHBondContact O-N 3.05Å; E526-L529 PolarHBondContact O-N 3.27Å; L527-L529 VanDerWaalsContact C-N 3.31Å; L527-L529 PolarHBondContact O-N 3.46Å; L529-L531 VanDerWaalsContact C-N 3.33Å; L529-L531 PolarHBondContact O-N 3.1Å; L529-T532 PolarHBondContact O-N 2.9Å; L529-F533 HydrophobicContact CB-CD2 4.49Å; L529-F533 HydrophobicContact CD2-CD2 4.27Å; L529-F533 HydrophobicContact CD2-CE2 3.71Å; L529-F533 VanDerWaalsContact O-CD2 3.31Å; L529-F533 WeakPolarHBondContact O-CD2 3.3Å; L529-F533 PolarHBondContact O-N 3.04Å; L529-W553 HydrophobicContact CD1-CH2 3.95Å; L529-W553 HydrophobicContact CD1-CZ2 3.89Å; L529-T557 HydrophobicContact CD1-CG2 4.13Å; L529-M560 HydrophobicContact CD1-CE 4.27Å; L529-M560 HydrophobicContact CD1-SD 4.35Å; L529-M560 HydrophobicContact CD2-CE 4.07Å; L529-W566 HydrophobicContact CD2-CH2 3.94Å; L529-W566 HydrophobicContact CD2-CZ3 3.85Å; L529-L573 HydrophobicContact CD1-CD1 4.35Å; L529-L573 HydrophobicContact CD2-CD1 4.07Å; L529-L573 HydrophobicContact CD2-CD2 3.99Å
530	L	76.1	Confident	76.1	Confident	25 Å²	25	36.9 Å²	36.9	13%	0.131	21%	0.205	C	C	.	.	H	α-helix	trans	-60.4	-42	175.6	-73.7	172.8	0	0	0	111.5	M222 E526 L527 N534 L538 I539 T542	M222-L530 HydrophobicContact CE-CD1 4.19Å; E526-L530 WeakPolarHBondContact O-CB 3.46Å; E526-L530 VanDerWaalsContact O-CG 3.31Å; E526-L530 WeakPolarHBondContact O-CG 3.32Å; E526-L530 PolarHBondContact O-N 3.05Å; L527-L530 PolarHBondContact O-N 3.25Å; L530-N534 WeakPolarHBondContact O-CA 3.21Å; L530-N534 PolarHBondContact O-N 3.45Å; L530-L538 HydrophobicContact CD2-CB 3.93Å; L530-I539 HydrophobicContact CD2-CG1 3.57Å; L530-T542 HydrophobicContact CD1-CG2 4.3Å; L530-T542 HydrophobicContact CD2-CG2 4.33Å
531	L	66.4	Low	76.5	Confident	4 Å²	4	31.6 Å²	31.6	2%	0.021	17%	0.172	C	C	.	.	H	α-helix	trans	-72.6	-45.7	178.5	-66	167.2	0	0	0	111.5	T219 M222 F409 F424 M425 L527 Q528 L529 F533	T219-L531 HydrophobicContact CG2-CD2 3.76Å; M222-L531 HydrophobicContact SD-CD1 4.13Å; M222-L531 HydrophobicContact SD-CD2 3.7Å; M222-L531 HydrophobicContact SD-CG 3.91Å; F409-L531 HydrophobicContact CE1-CB 3.9Å; F409-L531 HydrophobicContact CE1-CD2 3.7Å; F409-L531 HydrophobicContact CE1-CG 4.33Å; F409-L531 WeakPolarHBondContact CE2-O 3.41Å; F409-L531 HydrophobicContact CZ-CB 3.79Å; F409-L531 HydrophobicContact CZ-CD2 3.85Å; F409-L531 HydrophobicContact CZ-CG 4.44Å; F409-L531 WeakPolarHBondContact CZ-O 3.22Å; F424-L531 HydrophobicContact CE2-CD1 3.76Å; F424-L531 HydrophobicContact CZ-CD1 3.89Å; M425-L531 HydrophobicContact CG-CD1 4.27Å; M425-L531 HydrophobicContact SD-CD1 3.84Å; L527-L531 HydrophobicContact CD2-CD1 3.74Å; L527-L531 HydrophobicContact CG-CD1 4.2Å; L527-L531 WeakPolarHBondContact O-CB 3.24Å; L527-L531 VanDerWaalsContact O-CG 3.25Å; L527-L531 WeakPolarHBondContact O-CG 3.37Å; L527-L531 PolarHBondContact O-N 2.89Å; Q528-L531 PolarHBondContact O-N 3.02Å; L529-L531 VanDerWaalsContact C-N 3.33Å; L529-L531 PolarHBondContact O-N 3.1Å; L531-F533 PolarHBondContact O-N 3.39Å
532	T	69	Low	76.4	Confident	52 Å²	52	29.7 Å²	29.7	32%	0.319	16%	0.163	S	C	.	.	H	α-helix	trans	-60.1	-45.7	-177.5	-58	0	0	0	0	111.8	Q528 L529 W566	Q528-T532 PolarHBondContact NE2-OG1 3.48Å; Q528-T532 VanDerWaalsContact NE2-OG1 3.1Å; Q528-T532 WeakPolarHBondContact O-CB 3.31Å; Q528-T532 PolarHBondContact O-N 3.48Å; Q528-T532 PolarHBondContact O-OG1 2.91Å; L529-T532 PolarHBondContact O-N 2.9Å; T532-W566 HydrophobicContact CG2-CH2 4.4Å; T532-W566 HydrophobicContact CG2-CZ2 3.81Å
533	F	75.3	Confident	76.2	Confident	10 Å²	10	34.1 Å²	34.1	4%	0.044	18%	0.182	C	C	.	.	H	α-helix	trans	-100.5	-21.4	-174.7	-61.5	-59.3	0	0	0	113.2	L529 L531 S535 L538 Y567 E570 L573	L529-F533 HydrophobicContact CB-CD2 4.49Å; L529-F533 HydrophobicContact CD2-CD2 4.27Å; L529-F533 HydrophobicContact CD2-CE2 3.71Å; L529-F533 VanDerWaalsContact O-CD2 3.31Å; L529-F533 WeakPolarHBondContact O-CD2 3.3Å; L529-F533 PolarHBondContact O-N 3.04Å; L531-F533 PolarHBondContact O-N 3.39Å; F533-S535 PolarHBondContact O-N 3.05Å; F533-L538 HydrophobicContact CB-CD1 3.66Å; F533-L538 HydrophobicContact CD2-CD1 3.72Å; F533-L538 HydrophobicContact CG-CD1 4.07Å; F533-Y567 WeakPolarHBondContact CZ-O 3.29Å; F533-E570 HydrophobicContact CB-CB 4.2Å; F533-E570 HydrophobicContact CB-CG 4.41Å; F533-E570 HydrophobicContact CD1-CB 3.72Å; F533-E570 HydrophobicContact CE1-CB 4.28Å; F533-E570 HydrophobicContact CG-CB 3.92Å; F533-E570 HydrophobicContact CG-CG 4.43Å; F533-L573 HydrophobicContact CD2-CD2 3.77Å; F533-L573 HydrophobicContact CE2-CB 4.44Å; F533-L573 HydrophobicContact CE2-CD2 3.6Å
534	N	66.6	Low	76.5	Confident	8 Å²	8	32 Å²	32	4%	0.043	17%	0.166	C	C	.	.			trans	34.7	55.2	-177.9	173.7	62.4	0	0	0	112.5	V215 N216 T219 P243 L530	V215-N534 VanDerWaalsContact CG1-OD1 3.31Å; V215-N534 WeakPolarHBondContact CG1-OD1 3.3Å; N216-N534 PolarHBondContact OD1-ND2 2.59Å; N216-N534 PolarHBondContact OD1-OD1 3.13Å; T219-N534 PolarHBondContact OG1-OD1 2.78Å; P243-N534 WeakPolarHBondContact CD-ND2 3.29Å; P243-N534 HydrophobicContact CG-CB 3.42Å; P243-N534 VanDerWaalsContact CG-CB 3.42Å; P243-N534 VanDerWaalsContact CG-ND2 3.34Å; P243-N534 WeakPolarHBondContact CG-ND2 3.28Å; L530-N534 WeakPolarHBondContact O-CA 3.21Å; L530-N534 PolarHBondContact O-N 3.45Å
535	S	72.6	Confident	76.6	Confident	9 Å²	9	39.2 Å²	39.2	6%	0.063	20%	0.196	C	C	.	.			trans	-104.1	132.3	-169.7	160.7	0	0	0	0	112.1	F533 T537 L538 I539 E570	F533-S535 PolarHBondContact O-N 3.05Å; S535-T537 PolarHBondContact O-N 3.24Å; S535-T537 WeakPolarHBondContact OG-CB 2.92Å; S535-T537 PolarHBondContact OG-N 3.3Å; S535-L538 PolarHBondContact O-N 3.32Å; S535-L538 PolarHBondContact OG-N 2.03Å; S535-I539 WeakPolarHBondContact O-CG1 3.41Å; S535-I539 PolarHBondContact O-N 2.93Å; S535-E570 VanDerWaalsContact CB-OE1 3.31Å; S535-E570 WeakPolarHBondContact CB-OE1 2.97Å; S535-E570 VanDerWaalsContact CB-OE2 3.24Å; S535-E570 WeakPolarHBondContact CB-OE2 3.39Å; S535-E570 PolarHBondContact OG-OE1 2.83Å; S535-E570 PolarHBondContact OG-OE2 2.87Å
536	V	70.9	Confident	76.9	Confident	41 Å²	41	43.1 Å²	43.1	25%	0.248	22%	0.217	C	C	.	.	H	α-helix	trans	-54.8	-37	168.8	-176.1	0	0	0	0	111.3	V215 K540	V215-V536 HydrophobicContact CB-CG2 4.35Å; V215-V536 HydrophobicContact CG2-CB 3.91Å; V215-V536 HydrophobicContact CG2-CG1 4.25Å; V215-V536 HydrophobicContact CG2-CG2 3.48Å; V215-V536 VanDerWaalsContact CG2-CG2 3.48Å; V536-K540 HydrophobicContact CG1-CD 4.06Å; V536-K540 HydrophobicContact CG1-CG 4.4Å; V536-K540 WeakPolarHBondContact O-CB 3.23Å; V536-K540 VanDerWaalsContact O-CG 3.29Å; V536-K540 WeakPolarHBondContact O-CG 3.47Å; V536-K540 PolarHBondContact O-N 3.44Å
537	T	80.9	Confident	77	Confident	73 Å²	73	48 Å²	48	45%	0.448	24%	0.24	S	C	.	.	H	α-helix	trans	-66.9	-44.7	-179.8	-51.2	0	0	0	0	111.1	S535 K540 L541 E570 M574	S535-T537 PolarHBondContact O-N 3.24Å; S535-T537 WeakPolarHBondContact OG-CB 2.92Å; S535-T537 PolarHBondContact OG-N 3.3Å; T537-K540 PolarHBondContact O-N 2.95Å; T537-L541 WeakPolarHBondContact O-CB 3.33Å; T537-L541 PolarHBondContact O-N 3.12Å; T537-E570 WeakPolarHBondContact CB-OE1 3.24Å; T537-M574 HydrophobicContact CG2-CE 3.79Å
538	L	82.8	Confident	77.6	Confident	0 Å²	0	51 Å²	51	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-67.5	-39.2	178.2	-70.9	175.6	0	0	0	111.9	L530 F533 S535 L541 T542 W553 E570 L573 M574	L530-L538 HydrophobicContact CD2-CB 3.93Å; F533-L538 HydrophobicContact CB-CD1 3.66Å; F533-L538 HydrophobicContact CD2-CD1 3.72Å; F533-L538 HydrophobicContact CG-CD1 4.07Å; S535-L538 PolarHBondContact O-N 3.32Å; S535-L538 PolarHBondContact OG-N 2.03Å; L538-L541 WeakPolarHBondContact O-CB 3.32Å; L538-L541 PolarHBondContact O-N 3.33Å; L538-L541 VanDerWaalsContact O-N 3.13Å; L538-T542 PolarHBondContact O-N 3.03Å; L538-T542 PolarHBondContact O-OG1 3.5Å; L538-W553 HydrophobicContact CD2-CH2 3.64Å; L538-W553 HydrophobicContact CD2-CZ2 4.06Å; L538-W553 HydrophobicContact CD2-CZ3 4.36Å; L538-E570 HydrophobicContact CD1-CG 4.42Å; L538-L573 HydrophobicContact CD1-CD2 3.94Å; L538-L573 HydrophobicContact CD2-CD2 3.74Å; L538-L573 HydrophobicContact CG-CD2 4.45Å; L538-M574 HydrophobicContact CD2-SD 3.59Å; L538-M574 VanDerWaalsContact CD2-SD 3.59Å; L538-M574 HydrophobicContact CG-SD 4.49Å
539	I	75.5	Confident	78.1	Confident	10 Å²	10	52.8 Å²	52.8	5%	0.051	26%	0.262	C	S	.	.	H	α-helix	trans	-65	-45	175.7	-72.9	167.1	0	0	0	111.3	V215 K218 L530 S535 L541 T542 E543	V215-I539 HydrophobicContact CB-CD1 3.67Å; V215-I539 HydrophobicContact CG1-CD1 3.27Å; V215-I539 HydrophobicContact CG2-CD1 3.53Å; K218-I539 HydrophobicContact CD-CD1 4.33Å; K218-I539 HydrophobicContact CD-CG2 3.64Å; L530-I539 HydrophobicContact CD2-CG1 3.57Å; S535-I539 WeakPolarHBondContact O-CG1 3.41Å; S535-I539 PolarHBondContact O-N 2.93Å; I539-L541 PolarHBondContact O-N 3.46Å; I539-T542 WeakPolarHBondContact CA-OG1 3.24Å; I539-T542 PolarHBondContact O-N 2.86Å; I539-T542 PolarHBondContact O-OG1 3.36Å; I539-E543 WeakPolarHBondContact O-CB 3.49Å; I539-E543 PolarHBondContact O-N 3.29Å
540	K	80.2	Confident	78.3	Confident	133 Å²	133	56 Å²	56	58%	0.578	28%	0.276	S	S	*	.	H	α-helix	trans	-59.6	-31.4	173.5	-77.2	176.5	179.5	173.8	0	111.8	V536 T537 T544	V536-K540 HydrophobicContact CG1-CD 4.06Å; V536-K540 HydrophobicContact CG1-CG 4.4Å; V536-K540 WeakPolarHBondContact O-CB 3.23Å; V536-K540 VanDerWaalsContact O-CG 3.29Å; V536-K540 WeakPolarHBondContact O-CG 3.47Å; V536-K540 PolarHBondContact O-N 3.44Å; T537-K540 PolarHBondContact O-N 2.95Å; K540-T544 WeakPolarHBondContact O-CA 3.42Å; K540-T544 WeakPolarHBondContact O-CB 3.24Å; K540-T544 PolarHBondContact O-N 3.25Å
541	L	83.4	Confident	78.8	Confident	4 Å²	4	57.9 Å²	57.9	2%	0.021	29%	0.291	C	S	.	.	H	α-helix	trans	-73.9	-39.4	177.8	-174.1	66.7	0	0	0	112.5	T537 L538 I539 T544 Q549 W553 M574 F577	T537-L541 WeakPolarHBondContact O-CB 3.33Å; T537-L541 PolarHBondContact O-N 3.12Å; L538-L541 WeakPolarHBondContact O-CB 3.32Å; L538-L541 PolarHBondContact O-N 3.33Å; L538-L541 VanDerWaalsContact O-N 3.13Å; I539-L541 PolarHBondContact O-N 3.46Å; L541-T544 VanDerWaalsContact O-CG2 3.24Å; L541-T544 WeakPolarHBondContact O-CG2 3.37Å; L541-Q549 HydrophobicContact CD1-CG 3.47Å; L541-Q549 VanDerWaalsContact CD1-CG 3.47Å; L541-W553 HydrophobicContact CD2-CB 4.44Å; L541-W553 HydrophobicContact CD2-CD2 3.49Å; L541-W553 VanDerWaalsContact CD2-CD2 3.49Å; L541-W553 HydrophobicContact CD2-CE3 3.22Å; L541-W553 HydrophobicContact CD2-CG 4.03Å; L541-W553 HydrophobicContact CD2-CH2 4.21Å; L541-W553 HydrophobicContact CD2-CZ2 4.44Å; L541-W553 HydrophobicContact CD2-CZ3 3.61Å; L541-W553 HydrophobicContact CG-CB 4.29Å; L541-W553 HydrophobicContact CG-CD2 4.07Å; L541-W553 HydrophobicContact CG-CE3 4.24Å; L541-W553 HydrophobicContact CG-CG 4.1Å; L541-M574 HydrophobicContact CD2-CE 4.28Å; L541-M574 HydrophobicContact CD2-SD 4.45Å; L541-F577 HydrophobicContact CD1-CE1 3.61Å; L541-F577 HydrophobicContact CD1-CZ 4.04Å; L541-F577 HydrophobicContact CD2-CD1 3.9Å; L541-F577 HydrophobicContact CD2-CE1 3.62Å; L541-F577 HydrophobicContact CD2-CZ 4.16Å; L541-F577 HydrophobicContact CG-CE1 4.24Å
542	T	76.5	Confident	79.9	Confident	32 Å²	32	58 Å²	58	20%	0.196	29%	0.291	C	S	.	.	H	α-helix	trans	-74.5	-27.3	177.9	54	0	0	0	0	112.7	L530 L538 I539	L530-T542 HydrophobicContact CD1-CG2 4.3Å; L530-T542 HydrophobicContact CD2-CG2 4.33Å; L538-T542 PolarHBondContact O-N 3.03Å; L538-T542 PolarHBondContact O-OG1 3.5Å; I539-T542 WeakPolarHBondContact CA-OG1 3.24Å; I539-T542 PolarHBondContact O-N 2.86Å; I539-T542 PolarHBondContact O-OG1 3.36Å
543	E	73.7	Confident	80.9	Confident	111 Å²	111	55.8 Å²	55.8	52%	0.519	28%	0.277	S	S	.	.	S	Bend	trans	-103.1	6.3	179.8	-64.9	177.5	-176.4	0	0	114.3	K218 I539 K545	K218-E543 WeakPolarHBondContact CD-OE1 3.49Å; K218-E543 WeakPolarHBondContact CE-OE1 3.41Å; K218-E543 IonicContact NZ-OE1 3.15Å; K218-E543 PolarHBondContact NZ-OE1 3.02Å; K218-E543 IonicContact NZ-OE2 2.87Å; K218-E543 PolarHBondContact NZ-OE2 2.97Å; I539-E543 WeakPolarHBondContact O-CB 3.49Å; I539-E543 PolarHBondContact O-N 3.29Å; E543-K545 PolarHBondContact O-N 3.12Å
544	T	80.5	Confident	81.5	Confident	26 Å²	26	60 Å²	60	16%	0.16	30%	0.296	C	S	.	.			trans	-56.8	136.7	179.9	-171.5	0	0	0	0	110.7	K540 L541 D546 Q549 K550	K540-T544 WeakPolarHBondContact O-CA 3.42Å; K540-T544 WeakPolarHBondContact O-CB 3.24Å; K540-T544 PolarHBondContact O-N 3.25Å; L541-T544 VanDerWaalsContact O-CG2 3.24Å; L541-T544 WeakPolarHBondContact O-CG2 3.37Å; T544-D546 HydrophobicContact CG2-CB 4.44Å; T544-D546 PolarHBondContact O-N 2.9Å; T544-D546 WeakPolarHBondContact OG1-CB 3.39Å; T544-D546 PolarHBondContact OG1-N 2.99Å; T544-Q549 HydrophobicContact CG2-CB 3.92Å; T544-Q549 HydrophobicContact CG2-CG 4.04Å; T544-Q549 PolarHBondContact OG1-OE1 2.98Å; T544-K550 HydrophobicContact CG2-CB 4.09Å
545	K	80	Confident	82.5	Confident	203 Å²	203	62.5 Å²	62.5	88%	0.883	31%	0.311	S	S	*	.	S	Bend	trans	-76.9	-6.3	171	-65.1	-173.7	179.1	-177.7	0	112.2	E543 E547	E543-K545 PolarHBondContact O-N 3.12Å; K545-E547 PolarHBondContact O-N 3.23Å
546	D	87.9	Confident	83.4	Confident	82 Å²	82	62.5 Å²	62.5	44%	0.439	31%	0.31	S	S	.	.			trans	-79	100.7	173.9	-178.1	-16.6	0	0	0	109.8	T544 Q548 Q549 K550	T544-D546 HydrophobicContact CG2-CB 4.44Å; T544-D546 PolarHBondContact O-N 2.9Å; T544-D546 WeakPolarHBondContact OG1-CB 3.39Å; T544-D546 PolarHBondContact OG1-N 2.99Å; D546-Q548 PolarHBondContact O-N 3.01Å; D546-Q548 WeakPolarHBondContact OD1-CB 3.26Å; D546-Q548 PolarHBondContact OD1-N 3.45Å; D546-Q549 HydrophobicContact CB-CB 3.87Å; D546-Q549 PolarHBondContact O-N 3.44Å; D546-Q549 VanDerWaalsContact O-N 3.12Å; D546-Q549 PolarHBondContact OD1-N 3.06Å; D546-Q549 VanDerWaalsContact OD1-N 3.15Å; D546-K550 PolarHBondContact O-N 3.48Å
547	E	86.9	Confident	84.2	Confident	133 Å²	133	60.6 Å²	60.6	62%	0.621	30%	0.298	S	S	*	.	H	α-helix	trans	-58.2	-31.6	-179.3	-69.1	-58.1	142.5	0	0	113.2	K545 S551	K545-E547 PolarHBondContact O-N 3.23Å; E547-S551 WeakPolarHBondContact O-CB 3.47Å; E547-S551 PolarHBondContact O-N 3.42Å
548	Q	85.9	Confident	84.5	Confident	95 Å²	95	63 Å²	63	44%	0.444	30%	0.303	S	S	.	.	H	α-helix	trans	-69.1	-46.1	176.6	-176.8	61.6	47.5	0	0	110.5	D546 K550 S551 D552	D546-Q548 PolarHBondContact O-N 3.01Å; D546-Q548 WeakPolarHBondContact OD1-CB 3.26Å; D546-Q548 PolarHBondContact OD1-N 3.45Å; Q548-K550 VanDerWaalsContact C-N 3.3Å; Q548-K550 PolarHBondContact O-N 2.93Å; Q548-S551 PolarHBondContact O-N 3.33Å; Q548-D552 PolarHBondContact NE2-OD1 3.12Å; Q548-D552 PolarHBondContact O-N 3.24Å
549	Q	87.7	Confident	84.6	Confident	58 Å²	58	64.4 Å²	64.4	27%	0.271	31%	0.314	S	S	.	.	H	α-helix	trans	-63	-39.2	179	-172.7	178.4	27.8	0	0	111.8	L541 T544 D546 D552 W553	L541-Q549 HydrophobicContact CD1-CG 3.47Å; L541-Q549 VanDerWaalsContact CD1-CG 3.47Å; T544-Q549 HydrophobicContact CG2-CB 3.92Å; T544-Q549 HydrophobicContact CG2-CG 4.04Å; T544-Q549 PolarHBondContact OG1-OE1 2.98Å; D546-Q549 HydrophobicContact CB-CB 3.87Å; D546-Q549 PolarHBondContact O-N 3.44Å; D546-Q549 VanDerWaalsContact O-N 3.12Å; D546-Q549 PolarHBondContact OD1-N 3.06Å; D546-Q549 VanDerWaalsContact OD1-N 3.15Å; Q549-D552 PolarHBondContact O-N 3.27Å; Q549-W553 WeakPolarHBondContact O-CB 3.42Å; Q549-W553 PolarHBondContact O-N 3.34Å
550	K	86.2	Confident	85.3	Confident	68 Å²	68	64 Å²	64	30%	0.296	31%	0.312	S	S	.	.	H	α-helix	trans	-64.3	-41.5	175.3	-167.3	176.3	-175	177.2	0	112	T544 D546 Q548 W553 K554	T544-K550 HydrophobicContact CG2-CB 4.09Å; D546-K550 PolarHBondContact O-N 3.48Å; Q548-K550 VanDerWaalsContact C-N 3.3Å; Q548-K550 PolarHBondContact O-N 2.93Å; K550-W553 PolarHBondContact O-N 2.94Å; K550-K554 WeakPolarHBondContact O-CG 3.3Å; K550-K554 PolarHBondContact O-N 3.26Å; K550-K554 VanDerWaalsContact O-N 3.12Å
551	S	86.6	Confident	85.4	Confident	63 Å²	63	59 Å²	59	44%	0.441	29%	0.292	S	S	.	.	H	α-helix	trans	-65.1	-44.2	175.2	-172.9	0	0	0	0	112.5	E547 Q548 W553 K554 T555	E547-S551 WeakPolarHBondContact O-CB 3.47Å; E547-S551 PolarHBondContact O-N 3.42Å; Q548-S551 PolarHBondContact O-N 3.33Å; S551-W553 VanDerWaalsContact C-N 3.33Å; S551-W553 PolarHBondContact O-N 3.42Å; S551-K554 PolarHBondContact O-N 3.13Å; S551-T555 WeakPolarHBondContact O-CB 3.4Å; S551-T555 PolarHBondContact O-N 3.06Å; S551-T555 PolarHBondContact O-OG1 2.93Å
552	D	88.5	Confident	85.3	Confident	7 Å²	7	66.7 Å²	66.7	4%	0.037	33%	0.325	C	S	.	.	H	α-helix	trans	-58.5	-45.6	175.6	-74	-6.7	0	0	0	110.9	Q548 Q549 T555 F556 F577 F580 Q581	Q548-D552 PolarHBondContact NE2-OD1 3.12Å; Q548-D552 PolarHBondContact O-N 3.24Å; Q549-D552 PolarHBondContact O-N 3.27Å; D552-T555 PolarHBondContact O-N 3.27Å; D552-F556 WeakPolarHBondContact O-CB 3.47Å; D552-F556 PolarHBondContact O-N 3.04Å; D552-F577 HydrophobicContact CB-CE2 4.12Å; D552-F577 HydrophobicContact CB-CZ 4.14Å; D552-F580 WeakPolarHBondContact O-CE1 3.43Å; D552-Q581 HydrophobicContact CB-CG 4.17Å; D552-Q581 WeakPolarHBondContact OD2-CG 3.49Å; D552-Q581 PolarHBondContact OD2-NE2 2.85Å
553	W	90.8	Very high	85.7	Confident	5 Å²	5	71.5 Å²	71.5	2%	0.019	34%	0.343	C	S	.	.	H	α-helix	trans	-61.9	-51.1	179.8	179.6	-113.5	0	0	0	112.1	L529 L538 L541 Q549 K550 S551 T555 F556 T557 L573 F577	L529-W553 HydrophobicContact CD1-CH2 3.95Å; L529-W553 HydrophobicContact CD1-CZ2 3.89Å; L538-W553 HydrophobicContact CD2-CH2 3.64Å; L538-W553 HydrophobicContact CD2-CZ2 4.06Å; L538-W553 HydrophobicContact CD2-CZ3 4.36Å; L541-W553 HydrophobicContact CD2-CB 4.44Å; L541-W553 HydrophobicContact CD2-CD2 3.49Å; L541-W553 VanDerWaalsContact CD2-CD2 3.49Å; L541-W553 HydrophobicContact CD2-CE3 3.22Å; L541-W553 HydrophobicContact CD2-CG 4.03Å; L541-W553 HydrophobicContact CD2-CH2 4.21Å; L541-W553 HydrophobicContact CD2-CZ2 4.44Å; L541-W553 HydrophobicContact CD2-CZ3 3.61Å; L541-W553 HydrophobicContact CG-CB 4.29Å; L541-W553 HydrophobicContact CG-CD2 4.07Å; L541-W553 HydrophobicContact CG-CE3 4.24Å; L541-W553 HydrophobicContact CG-CG 4.1Å; Q549-W553 WeakPolarHBondContact O-CB 3.42Å; Q549-W553 PolarHBondContact O-N 3.34Å; K550-W553 PolarHBondContact O-N 2.94Å; S551-W553 VanDerWaalsContact C-N 3.33Å; S551-W553 PolarHBondContact O-N 3.42Å; W553-T555 PolarHBondContact O-N 3.15Å; W553-F556 AromaticContact CE3-CD1 3.98Å; W553-F556 HydrophobicContact CE3-CD1 3.98Å; W553-F556 AromaticContact CZ3-CD1 3.72Å; W553-F556 HydrophobicContact CZ3-CD1 3.72Å; W553-F556 HydrophobicContact CZ3-CE1 4.08Å; W553-F556 WeakPolarHBondContact O-CB 3.31Å; W553-F556 PolarHBondContact O-N 3.2Å; W553-T557 HydrophobicContact CD2-CG2 4.05Å; W553-T557 HydrophobicContact CE3-CG2 4.46Å; W553-T557 HydrophobicContact CH2-CG2 4.29Å; W553-T557 HydrophobicContact CZ2-CG2 3.8Å; W553-T557 WeakPolarHBondContact O-CG2 3.44Å; W553-T557 PolarHBondContact O-N 3.21Å; W553-T557 PolarHBondContact O-OG1 3.27Å; W553-L573 HydrophobicContact CH2-CD1 4.39Å; W553-L573 HydrophobicContact CH2-CD2 4.19Å; W553-L573 HydrophobicContact CH2-CG 4.45Å; W553-F577 HydrophobicContact CB-CE2 4.22Å; W553-F577 HydrophobicContact CB-CZ 4.13Å; W553-F577 HydrophobicContact CE3-CD1 4.26Å; W553-F577 AromaticContact CE3-CD2 3.72Å; W553-F577 HydrophobicContact CE3-CD2 3.72Å; W553-F577 HydrophobicContact CE3-CE1 4.32Å; W553-F577 AromaticContact CE3-CE2 3.79Å; W553-F577 HydrophobicContact CE3-CE2 3.79Å; W553-F577 AromaticContact CE3-CG 3.97Å; W553-F577 HydrophobicContact CE3-CG 3.97Å; W553-F577 HydrophobicContact CE3-CZ 4.08Å; W553-F577 HydrophobicContact CZ3-CB 4.37Å; W553-F577 HydrophobicContact CZ3-CD1 4.48Å; W553-F577 HydrophobicContact CZ3-CD2 4.15Å; W553-F577 HydrophobicContact CZ3-CG 4.06Å
554	K	88.4	Confident	86	Confident	100 Å²	100	72.5 Å²	72.5	44%	0.435	34%	0.342	S	S	.	.	H	α-helix	trans	-58.2	-36.7	176.2	-74.4	-176.7	175.2	-172.6	0	112.8	K550 S551 T557 K558	K550-K554 WeakPolarHBondContact O-CG 3.3Å; K550-K554 PolarHBondContact O-N 3.26Å; K550-K554 VanDerWaalsContact O-N 3.12Å; S551-K554 PolarHBondContact O-N 3.13Å; K554-T557 WeakPolarHBondContact CA-OG1 3.38Å; K554-T557 PolarHBondContact O-OG1 3.46Å; K554-T557 VanDerWaalsContact O-OG1 3.06Å; K554-K558 WeakPolarHBondContact O-CB 3.48Å; K554-K558 VanDerWaalsContact O-CG 3.26Å; K554-K558 WeakPolarHBondContact O-CG 3.46Å; K554-K558 PolarHBondContact O-N 3.33Å; K554-K558 VanDerWaalsContact O-N 3.13Å
555	T	87.4	Confident	86	Confident	59 Å²	59	78.2 Å²	78.2	36%	0.362	36%	0.361	S	S	.	.	H	α-helix	trans	-70.4	-39	177.3	-53.5	0	0	0	0	111.1	S551 D552 W553 A559 F580	S551-T555 WeakPolarHBondContact O-CB 3.4Å; S551-T555 PolarHBondContact O-N 3.06Å; S551-T555 PolarHBondContact O-OG1 2.93Å; D552-T555 PolarHBondContact O-N 3.27Å; W553-T555 PolarHBondContact O-N 3.15Å; T555-A559 PolarHBondContact O-N 3.4Å; T555-F580 HydrophobicContact CG2-CZ 3.7Å
556	F	91.2	Very high	86	Confident	10 Å²	10	71.3 Å²	71.3	4%	0.044	33%	0.329	C	S	.	.	H	α-helix	trans	-64.9	-44.7	176.9	-179.2	-111.3	0	0	0	112.3	D552 W553 A559 M560 Y567 L573 R576 F577 F580	D552-F556 WeakPolarHBondContact O-CB 3.47Å; D552-F556 PolarHBondContact O-N 3.04Å; W553-F556 AromaticContact CE3-CD1 3.98Å; W553-F556 HydrophobicContact CE3-CD1 3.98Å; W553-F556 AromaticContact CZ3-CD1 3.72Å; W553-F556 HydrophobicContact CZ3-CD1 3.72Å; W553-F556 HydrophobicContact CZ3-CE1 4.08Å; W553-F556 WeakPolarHBondContact O-CB 3.31Å; W553-F556 PolarHBondContact O-N 3.2Å; F556-A559 WeakPolarHBondContact O-CB 3.29Å; F556-A559 PolarHBondContact O-N 3.18Å; F556-A559 VanDerWaalsContact O-N 3.14Å; F556-M560 HydrophobicContact CD1-SD 3.91Å; F556-M560 HydrophobicContact CE1-CG 4.23Å; F556-M560 HydrophobicContact CE1-SD 3.44Å; F556-M560 WeakPolarHBondContact CE1-SD 3.41Å; F556-M560 HydrophobicContact CZ-CG 4.27Å; F556-M560 HydrophobicContact CZ-SD 3.92Å; F556-M560 WeakPolarHBondContact O-CG 3.42Å; F556-M560 PolarHBondContact O-N 2.94Å; F556-Y567 AromaticContact CZ-CE2 3.87Å; F556-Y567 HydrophobicContact CZ-CE2 3.87Å; F556-L573 HydrophobicContact CE1-CD1 3.8Å; F556-L573 HydrophobicContact CZ-CD1 4.45Å; F556-R576 HydrophobicContact CE2-CB 4.4Å; F556-R576 HydrophobicContact CZ-CB 4Å; F556-F577 HydrophobicContact CB-CD2 3.8Å; F556-F577 HydrophobicContact CB-CE2 4.07Å; F556-F577 HydrophobicContact CD1-CB 4.12Å; F556-F577 AromaticContact CD1-CD2 3.69Å; F556-F577 HydrophobicContact CD1-CD2 3.69Å; F556-F577 HydrophobicContact CD1-CG 4.28Å; F556-F577 HydrophobicContact CD2-CD2 4.29Å; F556-F577 HydrophobicContact CE1-CB 3.86Å; F556-F577 HydrophobicContact CE1-CD2 4.3Å; F556-F577 AromaticContact CG-CD2 3.67Å; F556-F577 HydrophobicContact CG-CD2 3.67Å; F556-F577 HydrophobicContact CG-CE2 4.43Å; F556-F577 HydrophobicContact CZ-CB 4.12Å; F556-F580 HydrophobicContact CB-CD1 3.87Å; F556-F580 HydrophobicContact CB-CE1 3.98Å; F556-F580 HydrophobicContact CB-CG 4.24Å; F556-F580 HydrophobicContact CB-CZ 4.43Å; F556-F580 HydrophobicContact CD2-CB 3.61Å; F556-F580 HydrophobicContact CD2-CD1 4.05Å; F556-F580 AromaticContact CD2-CD2 3.9Å; F556-F580 HydrophobicContact CD2-CD2 3.9Å; F556-F580 AromaticContact CD2-CG 3.58Å; F556-F580 HydrophobicContact CD2-CG 3.58Å; F556-F580 HydrophobicContact CE2-CB 3.97Å; F556-F580 HydrophobicContact CE2-CG 4.4Å; F556-F580 HydrophobicContact CG-CD1 4.35Å; F556-F580 HydrophobicContact CG-CG 4.31Å
557	T	88	Confident	85.7	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-66.2	-41.5	178.2	55.7	0	0	0	0	111.4	L525 E526 L529 W553 K554 A559 M560 L561	L525-T557 VanDerWaalsContact CD2-O 3.3Å; L525-T557 WeakPolarHBondContact CD2-O 3.42Å; E526-T557 HydrophobicContact CG-CG2 3.69Å; E526-T557 PolarHBondContact OE1-OG1 3.2Å; L529-T557 HydrophobicContact CD1-CG2 4.13Å; W553-T557 HydrophobicContact CD2-CG2 4.05Å; W553-T557 HydrophobicContact CE3-CG2 4.46Å; W553-T557 HydrophobicContact CH2-CG2 4.29Å; W553-T557 HydrophobicContact CZ2-CG2 3.8Å; W553-T557 WeakPolarHBondContact O-CG2 3.44Å; W553-T557 PolarHBondContact O-N 3.21Å; W553-T557 PolarHBondContact O-OG1 3.27Å; K554-T557 WeakPolarHBondContact CA-OG1 3.38Å; K554-T557 PolarHBondContact O-OG1 3.46Å; K554-T557 VanDerWaalsContact O-OG1 3.06Å; T557-A559 VanDerWaalsContact C-N 3.28Å; T557-A559 PolarHBondContact O-N 3.18Å; T557-M560 WeakPolarHBondContact O-CB 3.39Å; T557-M560 PolarHBondContact O-N 2.93Å; T557-L561 WeakPolarHBondContact O-CB 3.48Å; T557-L561 PolarHBondContact O-N 3.08Å
558	K	86.9	Confident	84.8	Confident	124 Å²	124	66.8 Å²	66.8	54%	0.539	31%	0.308	S	S	.	.	H	α-helix	trans	-57.4	-39.3	169.5	-76.1	177.1	-179.1	-176.7	0	112.9	K554 K562	K554-K558 WeakPolarHBondContact O-CB 3.48Å; K554-K558 VanDerWaalsContact O-CG 3.26Å; K554-K558 WeakPolarHBondContact O-CG 3.46Å; K554-K558 PolarHBondContact O-N 3.33Å; K554-K558 VanDerWaalsContact O-N 3.13Å; K558-K562 VanDerWaalsContact O-CB 3.29Å; K558-K562 WeakPolarHBondContact O-CB 3.37Å; K558-K562 PolarHBondContact O-N 3.15Å
559	A	85	Confident	84.4	Confident	29 Å²	29	65.4 Å²	65.4	24%	0.24	31%	0.307	C	S	.	.	H	α-helix	trans	-68.1	-43.3	176.2	0	0	0	0	0	111.8	T555 F556 T557 L561 K562 F563	T555-A559 PolarHBondContact O-N 3.4Å; F556-A559 WeakPolarHBondContact O-CB 3.29Å; F556-A559 PolarHBondContact O-N 3.18Å; F556-A559 VanDerWaalsContact O-N 3.14Å; T557-A559 VanDerWaalsContact C-N 3.28Å; T557-A559 PolarHBondContact O-N 3.18Å; A559-L561 VanDerWaalsContact C-N 3.3Å; A559-L561 PolarHBondContact O-N 3.23Å; A559-K562 PolarHBondContact O-N 2.99Å; A559-F563 HydrophobicContact CB-CD2 4.33Å; A559-F563 HydrophobicContact CB-CE2 4.41Å; A559-F563 WeakPolarHBondContact O-CB 3.39Å; A559-F563 WeakPolarHBondContact O-CD2 3.37Å; A559-F563 PolarHBondContact O-N 3.24Å
560	M	88.7	Confident	84.2	Confident	3 Å²	3	64.9 Å²	64.9	2%	0.015	30%	0.304	C	S	.	.	H	α-helix	trans	-56.3	-46.6	174.4	-73.2	178.1	61.6	0	0	111.5	L525 L529 F556 T557 F563 R564 R565 Y567 L573	L525-M560 HydrophobicContact CD2-CB 3.77Å; L529-M560 HydrophobicContact CD1-CE 4.27Å; L529-M560 HydrophobicContact CD1-SD 4.35Å; L529-M560 HydrophobicContact CD2-CE 4.07Å; F556-M560 HydrophobicContact CD1-SD 3.91Å; F556-M560 HydrophobicContact CE1-CG 4.23Å; F556-M560 HydrophobicContact CE1-SD 3.44Å; F556-M560 WeakPolarHBondContact CE1-SD 3.41Å; F556-M560 HydrophobicContact CZ-CG 4.27Å; F556-M560 HydrophobicContact CZ-SD 3.92Å; F556-M560 WeakPolarHBondContact O-CG 3.42Å; F556-M560 PolarHBondContact O-N 2.94Å; T557-M560 WeakPolarHBondContact O-CB 3.39Å; T557-M560 PolarHBondContact O-N 2.93Å; M560-F563 CarbonylContact O-C 3.39Å; M560-F563 PolarHBondContact O-N 3.42Å; M560-R564 WeakPolarHBondContact O-CA 3.49Å; M560-R564 PolarHBondContact O-N 2.92Å; M560-R565 WeakPolarHBondContact CE-O 3.39Å; M560-R565 PolarHBondContact O-N 3.01Å; M560-Y567 HydrophobicContact CE-CD2 3.61Å; M560-Y567 HydrophobicContact CE-CE2 3.82Å; M560-Y567 HydrophobicContact CG-CE2 4.1Å; M560-Y567 HydrophobicContact SD-CD2 4.11Å; M560-Y567 HydrophobicContact SD-CE2 3.84Å; M560-L573 HydrophobicContact CE-CD1 3.93Å; M560-L573 HydrophobicContact SD-CD1 3.79Å
561	L	83.4	Confident	84	Confident	28 Å²	28	66.7 Å²	66.7	15%	0.147	32%	0.317	C	S	.	.	H	α-helix	trans	-60.5	-52.1	176.6	-173.5	64.9	0	0	0	111.8	F515 I519 L525 T557 A559 F563 R564	F515-L561 HydrophobicContact CE1-CD1 4.02Å; F515-L561 HydrophobicContact CZ-CD1 3.86Å; I519-L561 HydrophobicContact CB-CD1 4.47Å; I519-L561 HydrophobicContact CG2-CD1 3.83Å; I519-L561 WeakPolarHBondContact O-CD1 3.33Å; L525-L561 HydrophobicContact CD2-CB 4.02Å; T557-L561 WeakPolarHBondContact O-CB 3.48Å; T557-L561 PolarHBondContact O-N 3.08Å; A559-L561 VanDerWaalsContact C-N 3.3Å; A559-L561 PolarHBondContact O-N 3.23Å; L561-F563 VanDerWaalsContact C-N 3.28Å; L561-F563 PolarHBondContact O-N 2.75Å; L561-R564 PolarHBondContact O-N 2.93Å
562	K	82.1	Confident	83.9	Confident	165 Å²	165	66.4 Å²	66.4	72%	0.717	31%	0.309	S	S	*	.	H	α-helix	trans	-58	-38.2	180	-178.7	175.4	-178.8	174.8	0	112.9	K558 A559	K558-K562 VanDerWaalsContact O-CB 3.29Å; K558-K562 WeakPolarHBondContact O-CB 3.37Å; K558-K562 PolarHBondContact O-N 3.15Å; A559-K562 PolarHBondContact O-N 2.99Å
563	F	83.9	Confident	84	Confident	132 Å²	132	66 Å²	66	58%	0.579	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	7.9	-177.3	-61.8	-62.7	0	0	0	113.7	A559 M560 L561 R565	A559-F563 HydrophobicContact CB-CD2 4.33Å; A559-F563 HydrophobicContact CB-CE2 4.41Å; A559-F563 WeakPolarHBondContact O-CB 3.39Å; A559-F563 WeakPolarHBondContact O-CD2 3.37Å; A559-F563 PolarHBondContact O-N 3.24Å; M560-F563 CarbonylContact O-C 3.39Å; M560-F563 PolarHBondContact O-N 3.42Å; L561-F563 VanDerWaalsContact C-N 3.28Å; L561-F563 PolarHBondContact O-N 2.75Å; F563-R565 HydrophobicContact CB-CG 4.14Å; F563-R565 PolarHBondContact O-N 3.45Å
564	R	80.1	Confident	84	Confident	133 Å²	133	67 Å²	67	50%	0.502	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.7	46	-177.4	-63.9	-74.9	-170.4	160.5	1.7	112.1	F515 P516 A517 M560 L561	F515-R564 HydrophobicContact CB-CB 4.23Å; F515-R564 HydrophobicContact CD1-CB 4.47Å; F515-R564 VanDerWaalsContact CD1-CD 3.46Å; F515-R564 VanDerWaalsContact CD2-C 3.41Å; F515-R564 HydrophobicContact CG-CB 4.17Å; P516-R564 PolarHBondContact O-NH1 3Å; A517-R564 PolarHBondContact O-NH1 2.89Å; M560-R564 WeakPolarHBondContact O-CA 3.49Å; M560-R564 PolarHBondContact O-N 2.92Å; L561-R564 PolarHBondContact O-N 2.93Å
565	R	79.8	Confident	84.1	Confident	146 Å²	146	68.7 Å²	68.7	55%	0.551	32%	0.315	S	S	*	.			trans	-98.6	125.5	-179.8	-75.6	-170.5	174.9	-163.3	-2.1	111.3	F515 M560 F563	F515-R565 WeakPolarHBondContact CD2-O 3.48Å; F515-R565 WeakPolarHBondContact CE2-O 3.36Å; M560-R565 WeakPolarHBondContact CE-O 3.39Å; M560-R565 PolarHBondContact O-N 3.01Å; F563-R565 HydrophobicContact CB-CG 4.14Å; F563-R565 PolarHBondContact O-N 3.45Å
566	W	80.1	Confident	84.2	Confident	58 Å²	58	71.7 Å²	71.7	22%	0.22	32%	0.32	C	S	.	.			trans	-117.2	147.6	175.9	-170.8	-106.3	0	0	0	110.6	F515 P516 L525 Q528 L529 T532	F515-W566 HydrophobicContact CD2-CB 4.14Å; F515-W566 HydrophobicContact CD2-CE3 4.42Å; P516-W566 HydrophobicContact CG-CE3 4.31Å; P516-W566 HydrophobicContact CG-CZ3 4.32Å; L525-W566 HydrophobicContact CD1-CE3 4.42Å; L525-W566 HydrophobicContact CD1-CZ3 3.93Å; Q528-W566 HydrophobicContact CG-CH2 3.48Å; Q528-W566 VanDerWaalsContact CG-CH2 3.48Å; Q528-W566 HydrophobicContact CG-CZ2 4.48Å; Q528-W566 HydrophobicContact CG-CZ3 3.78Å; L529-W566 HydrophobicContact CD2-CH2 3.94Å; L529-W566 HydrophobicContact CD2-CZ3 3.85Å; T532-W566 HydrophobicContact CG2-CH2 4.4Å; T532-W566 HydrophobicContact CG2-CZ2 3.81Å
567	Y	81.3	Confident	84.3	Confident	15 Å²	15	71.3 Å²	71.3	6%	0.059	32%	0.319	C	S	.	.			trans	-120.5	133.6	177.7	-60.5	-65	0	0	0	108.5	F533 F556 M560 E572 L573 R576	F533-Y567 WeakPolarHBondContact CZ-O 3.29Å; F556-Y567 AromaticContact CZ-CE2 3.87Å; F556-Y567 HydrophobicContact CZ-CE2 3.87Å; M560-Y567 HydrophobicContact CE-CD2 3.61Å; M560-Y567 HydrophobicContact CE-CE2 3.82Å; M560-Y567 HydrophobicContact CG-CE2 4.1Å; M560-Y567 HydrophobicContact SD-CD2 4.11Å; M560-Y567 HydrophobicContact SD-CE2 3.84Å; Y567-E572 HydrophobicContact CD1-CG 3.75Å; Y567-E572 HydrophobicContact CE1-CG 4.4Å; Y567-E572 HydrophobicContact CG-CG 4.44Å; Y567-L573 HydrophobicContact CD2-CB 4.24Å; Y567-L573 HydrophobicContact CD2-CD1 3.54Å; Y567-L573 HydrophobicContact CE2-CD1 4.18Å; Y567-L573 HydrophobicContact CG-CB 4.39Å; Y567-L573 HydrophobicContact CG-CD1 4.45Å; Y567-R576 HydrophobicContact CD1-CG 4.14Å; Y567-R576 HydrophobicContact CE1-CB 4.18Å; Y567-R576 HydrophobicContact CE1-CG 3.53Å; Y567-R576 HydrophobicContact CE2-CB 4.22Å; Y567-R576 HydrophobicContact CE2-CG 4.44Å
568	N	69.8	Low	84.4	Confident	104 Å²	104	77 Å²	77	56%	0.556	34%	0.343	S	S	*	.	S	Bend	trans	-87.5	-10.5	-172.9	-64.7	-25.5	0	0	0	113.4
569	T	77.6	Confident	84.4	Confident	67 Å²	67	72.5 Å²	72.5	41%	0.411	33%	0.329	S	S	.	.	S	Bend	trans	-136.3	143.4	179.8	61.5	0	0	0	0	109.3	D571 E572 L573	T569-D571 PolarHBondContact O-N 3.04Å; T569-E572 PolarHBondContact O-N 2.84Å; T569-E572 VanDerWaalsContact OG1-CB 3.29Å; T569-E572 WeakPolarHBondContact OG1-CB 3.08Å; T569-E572 PolarHBondContact OG1-N 3.48Å; T569-E572 VanDerWaalsContact OG1-N 3.09Å; T569-L573 PolarHBondContact O-N 2.92Å
570	E	82.5	Confident	84.6	Confident	47 Å²	47	73 Å²	73	22%	0.22	33%	0.326	C	S	.	.	H	α-helix	trans	-56.2	-39.3	173.6	-175.4	-165.7	165.5	0	0	109.8	F533 S535 T537 L538 E572 L573 M574	F533-E570 HydrophobicContact CB-CB 4.2Å; F533-E570 HydrophobicContact CB-CG 4.41Å; F533-E570 HydrophobicContact CD1-CB 3.72Å; F533-E570 HydrophobicContact CE1-CB 4.28Å; F533-E570 HydrophobicContact CG-CB 3.92Å; F533-E570 HydrophobicContact CG-CG 4.43Å; S535-E570 VanDerWaalsContact CB-OE1 3.31Å; S535-E570 WeakPolarHBondContact CB-OE1 2.97Å; S535-E570 VanDerWaalsContact CB-OE2 3.24Å; S535-E570 WeakPolarHBondContact CB-OE2 3.39Å; S535-E570 PolarHBondContact OG-OE1 2.83Å; S535-E570 PolarHBondContact OG-OE2 2.87Å; T537-E570 WeakPolarHBondContact CB-OE1 3.24Å; L538-E570 HydrophobicContact CD1-CG 4.42Å; E570-E572 PolarHBondContact O-N 3.01Å; E570-L573 WeakPolarHBondContact O-CB 3.38Å; E570-L573 PolarHBondContact O-N 3.24Å; E570-L573 VanDerWaalsContact O-N 3.15Å; E570-M574 HydrophobicContact CG-CG 3.99Å; E570-M574 WeakPolarHBondContact O-CB 3.43Å; E570-M574 VanDerWaalsContact O-CG 3.31Å; E570-M574 WeakPolarHBondContact O-CG 3.29Å; E570-M574 PolarHBondContact O-N 2.83Å
571	D	81.1	Confident	84.6	Confident	106 Å²	106	74.1 Å²	74.1	57%	0.567	33%	0.331	S	S	*	.	H	α-helix	trans	-57.7	-45.2	179.3	-127.7	32.9	0	0	0	112.4	T569 R575	T569-D571 PolarHBondContact O-N 3.04Å; D571-R575 VanDerWaalsContact CG-NH1 3.32Å; D571-R575 WeakPolarHBondContact O-CB 3.46Å; D571-R575 WeakPolarHBondContact O-CG 3.41Å; D571-R575 PolarHBondContact O-N 2.96Å; D571-R575 PolarHBondContact O-NE 3.49Å; D571-R575 IonicContact OD2-CZ 3.35Å; D571-R575 IonicContact OD2-NH1 2.7Å; D571-R575 PolarHBondContact OD2-NH1 3.43Å
572	E	86.3	Confident	84.6	Confident	56 Å²	56	79.9 Å²	79.9	26%	0.262	35%	0.351	S	S	.	.	H	α-helix	trans	-67.4	-46.9	172.7	-174.4	175	-172	0	0	111.7	Y567 T569 E570 M574 R575 R576	Y567-E572 HydrophobicContact CD1-CG 3.75Å; Y567-E572 HydrophobicContact CE1-CG 4.4Å; Y567-E572 HydrophobicContact CG-CG 4.44Å; T569-E572 PolarHBondContact O-N 2.84Å; T569-E572 VanDerWaalsContact OG1-CB 3.29Å; T569-E572 WeakPolarHBondContact OG1-CB 3.08Å; T569-E572 PolarHBondContact OG1-N 3.48Å; T569-E572 VanDerWaalsContact OG1-N 3.09Å; E570-E572 PolarHBondContact O-N 3.01Å; E572-M574 VanDerWaalsContact C-N 3.32Å; E572-M574 PolarHBondContact O-N 3.21Å; E572-R575 PolarHBondContact O-N 2.79Å; E572-R576 HydrophobicContact CG-CG 4.04Å; E572-R576 WeakPolarHBondContact O-CB 3.48Å; E572-R576 WeakPolarHBondContact O-CG 3.1Å; E572-R576 PolarHBondContact O-N 3.09Å; E572-R576 IonicContact OE1-CZ 3.64Å; E572-R576 IonicContact OE1-NE 3.02Å; E572-R576 PolarHBondContact OE1-NE 3.43Å; E572-R576 IonicContact OE1-NH2 2.91Å; E572-R576 PolarHBondContact OE1-NH2 3.37Å; E572-R576 VanDerWaalsContact OE1-NH2 3.09Å
573	L	89.3	Confident	84.4	Confident	0 Å²	0	75.9 Å²	75.9	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-52.4	-51	177.8	173.5	73.7	0	0	0	111	L529 F533 L538 W553 F556 M560 Y567 T569 E570 R576 F577	L529-L573 HydrophobicContact CD1-CD1 4.35Å; L529-L573 HydrophobicContact CD2-CD1 4.07Å; L529-L573 HydrophobicContact CD2-CD2 3.99Å; F533-L573 HydrophobicContact CD2-CD2 3.77Å; F533-L573 HydrophobicContact CE2-CB 4.44Å; F533-L573 HydrophobicContact CE2-CD2 3.6Å; L538-L573 HydrophobicContact CD1-CD2 3.94Å; L538-L573 HydrophobicContact CD2-CD2 3.74Å; L538-L573 HydrophobicContact CG-CD2 4.45Å; W553-L573 HydrophobicContact CH2-CD1 4.39Å; W553-L573 HydrophobicContact CH2-CD2 4.19Å; W553-L573 HydrophobicContact CH2-CG 4.45Å; F556-L573 HydrophobicContact CE1-CD1 3.8Å; F556-L573 HydrophobicContact CZ-CD1 4.45Å; M560-L573 HydrophobicContact CE-CD1 3.93Å; M560-L573 HydrophobicContact SD-CD1 3.79Å; Y567-L573 HydrophobicContact CD2-CB 4.24Å; Y567-L573 HydrophobicContact CD2-CD1 3.54Å; Y567-L573 HydrophobicContact CE2-CD1 4.18Å; Y567-L573 HydrophobicContact CG-CB 4.39Å; Y567-L573 HydrophobicContact CG-CD1 4.45Å; T569-L573 PolarHBondContact O-N 2.92Å; E570-L573 WeakPolarHBondContact O-CB 3.38Å; E570-L573 PolarHBondContact O-N 3.24Å; E570-L573 VanDerWaalsContact O-N 3.15Å; L573-R576 PolarHBondContact O-N 2.78Å; L573-F577 WeakPolarHBondContact O-CB 3.34Å; L573-F577 PolarHBondContact O-N 3.1Å
574	M	91.1	Very high	84	Confident	25 Å²	25	73 Å²	73	12%	0.123	33%	0.327	C	S	.	.	H	α-helix	trans	-69.8	-36.1	-178	-67.4	-53.8	-64.2	0	0	112.3	T537 L538 L541 E570 E572 R576 F577 K578	T537-M574 HydrophobicContact CG2-CE 3.79Å; L538-M574 HydrophobicContact CD2-SD 3.59Å; L538-M574 VanDerWaalsContact CD2-SD 3.59Å; L538-M574 HydrophobicContact CG-SD 4.49Å; L541-M574 HydrophobicContact CD2-CE 4.28Å; L541-M574 HydrophobicContact CD2-SD 4.45Å; E570-M574 HydrophobicContact CG-CG 3.99Å; E570-M574 WeakPolarHBondContact O-CB 3.43Å; E570-M574 VanDerWaalsContact O-CG 3.31Å; E570-M574 WeakPolarHBondContact O-CG 3.29Å; E570-M574 PolarHBondContact O-N 2.83Å; E572-M574 VanDerWaalsContact C-N 3.32Å; E572-M574 PolarHBondContact O-N 3.21Å; M574-R576 VanDerWaalsContact C-N 3.32Å; M574-R576 PolarHBondContact O-N 2.9Å; M574-F577 HydrophobicContact CE-CD1 4.22Å; M574-F577 PolarHBondContact O-N 3.14Å; M574-K578 WeakPolarHBondContact O-CB 3.38Å; M574-K578 WeakPolarHBondContact O-CG 3.48Å; M574-K578 PolarHBondContact O-N 3.39Å
575	R	89.8	Confident	83.9	Confident	135 Å²	135	73.9 Å²	73.9	51%	0.509	33%	0.33	S	S	.	.	H	α-helix	trans	-61	-41.9	170.7	-79.3	-173	-63.6	-96.2	3.5	111.5	D571 E572 A579	D571-R575 VanDerWaalsContact CG-NH1 3.32Å; D571-R575 WeakPolarHBondContact O-CB 3.46Å; D571-R575 WeakPolarHBondContact O-CG 3.41Å; D571-R575 PolarHBondContact O-N 2.96Å; D571-R575 PolarHBondContact O-NE 3.49Å; D571-R575 IonicContact OD2-CZ 3.35Å; D571-R575 IonicContact OD2-NH1 2.7Å; D571-R575 PolarHBondContact OD2-NH1 3.43Å; E572-R575 PolarHBondContact O-N 2.79Å; R575-A579 WeakPolarHBondContact O-CB 3.2Å; R575-A579 PolarHBondContact O-N 3.09Å
576	R	91.2	Very high	83.4	Confident	122 Å²	122	71.2 Å²	71.2	46%	0.46	33%	0.326	S	S	.	.	H	α-helix	trans	-71.2	-39.4	179.9	-64.5	-79.3	-171.1	-166.5	0.8	111.5	F556 Y567 E572 L573 M574 A579 F580	F556-R576 HydrophobicContact CE2-CB 4.4Å; F556-R576 HydrophobicContact CZ-CB 4Å; Y567-R576 HydrophobicContact CD1-CG 4.14Å; Y567-R576 HydrophobicContact CE1-CB 4.18Å; Y567-R576 HydrophobicContact CE1-CG 3.53Å; Y567-R576 HydrophobicContact CE2-CB 4.22Å; Y567-R576 HydrophobicContact CE2-CG 4.44Å; E572-R576 HydrophobicContact CG-CG 4.04Å; E572-R576 WeakPolarHBondContact O-CB 3.48Å; E572-R576 WeakPolarHBondContact O-CG 3.1Å; E572-R576 PolarHBondContact O-N 3.09Å; E572-R576 IonicContact OE1-CZ 3.64Å; E572-R576 IonicContact OE1-NE 3.02Å; E572-R576 PolarHBondContact OE1-NE 3.43Å; E572-R576 IonicContact OE1-NH2 2.91Å; E572-R576 PolarHBondContact OE1-NH2 3.37Å; E572-R576 VanDerWaalsContact OE1-NH2 3.09Å; L573-R576 PolarHBondContact O-N 2.78Å; M574-R576 VanDerWaalsContact C-N 3.32Å; M574-R576 PolarHBondContact O-N 2.9Å; R576-A579 WeakPolarHBondContact O-CB 3.48Å; R576-A579 PolarHBondContact O-N 3.15Å; R576-F580 WeakPolarHBondContact O-CB 3.5Å; R576-F580 PolarHBondContact O-N 3.05Å
577	F	92.4	Very high	82.7	Confident	3 Å²	3	69.5 Å²	69.5	1%	0.013	33%	0.327	C	S	.	.	H	α-helix	trans	-62.2	-47.6	173.2	178.7	-119.8	0	0	0	111.8	L541 D552 W553 F556 L573 M574 A579 F580 Q581	L541-F577 HydrophobicContact CD1-CE1 3.61Å; L541-F577 HydrophobicContact CD1-CZ 4.04Å; L541-F577 HydrophobicContact CD2-CD1 3.9Å; L541-F577 HydrophobicContact CD2-CE1 3.62Å; L541-F577 HydrophobicContact CD2-CZ 4.16Å; L541-F577 HydrophobicContact CG-CE1 4.24Å; D552-F577 HydrophobicContact CB-CE2 4.12Å; D552-F577 HydrophobicContact CB-CZ 4.14Å; W553-F577 HydrophobicContact CB-CE2 4.22Å; W553-F577 HydrophobicContact CB-CZ 4.13Å; W553-F577 HydrophobicContact CE3-CD1 4.26Å; W553-F577 AromaticContact CE3-CD2 3.72Å; W553-F577 HydrophobicContact CE3-CD2 3.72Å; W553-F577 HydrophobicContact CE3-CE1 4.32Å; W553-F577 AromaticContact CE3-CE2 3.79Å; W553-F577 HydrophobicContact CE3-CE2 3.79Å; W553-F577 AromaticContact CE3-CG 3.97Å; W553-F577 HydrophobicContact CE3-CG 3.97Å; W553-F577 HydrophobicContact CE3-CZ 4.08Å; W553-F577 HydrophobicContact CZ3-CB 4.37Å; W553-F577 HydrophobicContact CZ3-CD1 4.48Å; W553-F577 HydrophobicContact CZ3-CD2 4.15Å; W553-F577 HydrophobicContact CZ3-CG 4.06Å; F556-F577 HydrophobicContact CB-CD2 3.8Å; F556-F577 HydrophobicContact CB-CE2 4.07Å; F556-F577 HydrophobicContact CD1-CB 4.12Å; F556-F577 AromaticContact CD1-CD2 3.69Å; F556-F577 HydrophobicContact CD1-CD2 3.69Å; F556-F577 HydrophobicContact CD1-CG 4.28Å; F556-F577 HydrophobicContact CD2-CD2 4.29Å; F556-F577 HydrophobicContact CE1-CB 3.86Å; F556-F577 HydrophobicContact CE1-CD2 4.3Å; F556-F577 AromaticContact CG-CD2 3.67Å; F556-F577 HydrophobicContact CG-CD2 3.67Å; F556-F577 HydrophobicContact CG-CE2 4.43Å; F556-F577 HydrophobicContact CZ-CB 4.12Å; L573-F577 WeakPolarHBondContact O-CB 3.34Å; L573-F577 PolarHBondContact O-N 3.1Å; M574-F577 HydrophobicContact CE-CD1 4.22Å; M574-F577 PolarHBondContact O-N 3.14Å; F577-A579 VanDerWaalsContact C-N 3.26Å; F577-A579 PolarHBondContact O-N 3.39Å; F577-F580 HydrophobicContact CD2-CD1 4.44Å; F577-F580 HydrophobicContact CE2-CD1 4.44Å; F577-F580 WeakPolarHBondContact O-CA 3.3Å; F577-F580 VanDerWaalsContact O-CB 3.3Å; F577-F580 WeakPolarHBondContact O-CB 3.46Å; F577-F580 PolarHBondContact O-N 2.96Å; F577-Q581 HydrophobicContact CD2-CG 4.4Å; F577-Q581 HydrophobicContact CE1-CG 4.22Å; F577-Q581 HydrophobicContact CE2-CG 3.94Å; F577-Q581 HydrophobicContact CZ-CG 3.85Å; F577-Q581 WeakPolarHBondContact O-CG 3.5Å; F577-Q581 PolarHBondContact O-N 3.28Å
578	K	90.8	Very high	82	Confident	120 Å²	120	73.6 Å²	73.6	52%	0.522	35%	0.346	S	S	.	.	H	α-helix	trans	-58.9	-37.5	173.9	-73.5	175.3	-179.1	175.8	0	112.3	M574 R582	M574-K578 WeakPolarHBondContact O-CB 3.38Å; M574-K578 WeakPolarHBondContact O-CG 3.48Å; M574-K578 PolarHBondContact O-N 3.39Å; K578-R582 WeakPolarHBondContact O-CG 3.35Å; K578-R582 PolarHBondContact O-N 3.25Å; K578-R582 VanDerWaalsContact O-N 3.15Å
579	A	86.9	Confident	81.7	Confident	29 Å²	29	77 Å²	77	24%	0.24	36%	0.356	C	S	.	.	H	α-helix	trans	-66.9	-40.1	174.2	0	0	0	0	0	112.2	R575 R576 F577 R582 N583	R575-A579 WeakPolarHBondContact O-CB 3.2Å; R575-A579 PolarHBondContact O-N 3.09Å; R576-A579 WeakPolarHBondContact O-CB 3.48Å; R576-A579 PolarHBondContact O-N 3.15Å; F577-A579 VanDerWaalsContact C-N 3.26Å; F577-A579 PolarHBondContact O-N 3.39Å; A579-R582 PolarHBondContact O-N 2.9Å; A579-N583 VanDerWaalsContact O-CG 3.29Å; A579-N583 PolarHBondContact O-N 3.36Å; A579-N583 PolarHBondContact O-ND2 2.92Å
580	F	89.2	Confident	80.7	Confident	39 Å²	39	76 Å²	76	17%	0.171	35%	0.348	C	S	.	.	H	α-helix	trans	-58.8	-49.4	173.7	173.5	-93.4	0	0	0	111.5	D552 T555 F556 R576 F577 R582 N583 M584	D552-F580 WeakPolarHBondContact O-CE1 3.43Å; T555-F580 HydrophobicContact CG2-CZ 3.7Å; F556-F580 HydrophobicContact CB-CD1 3.87Å; F556-F580 HydrophobicContact CB-CE1 3.98Å; F556-F580 HydrophobicContact CB-CG 4.24Å; F556-F580 HydrophobicContact CB-CZ 4.43Å; F556-F580 HydrophobicContact CD2-CB 3.61Å; F556-F580 HydrophobicContact CD2-CD1 4.05Å; F556-F580 AromaticContact CD2-CD2 3.9Å; F556-F580 HydrophobicContact CD2-CD2 3.9Å; F556-F580 AromaticContact CD2-CG 3.58Å; F556-F580 HydrophobicContact CD2-CG 3.58Å; F556-F580 HydrophobicContact CE2-CB 3.97Å; F556-F580 HydrophobicContact CE2-CG 4.4Å; F556-F580 HydrophobicContact CG-CD1 4.35Å; F556-F580 HydrophobicContact CG-CG 4.31Å; R576-F580 WeakPolarHBondContact O-CB 3.5Å; R576-F580 PolarHBondContact O-N 3.05Å; F577-F580 HydrophobicContact CD2-CD1 4.44Å; F577-F580 HydrophobicContact CE2-CD1 4.44Å; F577-F580 WeakPolarHBondContact O-CA 3.3Å; F577-F580 VanDerWaalsContact O-CB 3.3Å; F577-F580 WeakPolarHBondContact O-CB 3.46Å; F577-F580 PolarHBondContact O-N 2.96Å; F580-R582 VanDerWaalsContact C-N 3.34Å; F580-R582 PolarHBondContact O-N 3.35Å; F580-N583 PolarHBondContact O-N 3.43Å; F580-N583 VanDerWaalsContact O-N 3.1Å; F580-M584 HydrophobicContact CD1-CG 4.17Å; F580-M584 HydrophobicContact CE1-CG 3.68Å; F580-M584 HydrophobicContact CE2-CG 4.07Å; F580-M584 HydrophobicContact CE2-SD 4.2Å; F580-M584 HydrophobicContact CZ-CG 3.61Å; F580-M584 HydrophobicContact CZ-SD 3.9Å; F580-M584 WeakPolarHBondContact O-CG 3.43Å; F580-M584 PolarHBondContact O-N 3.04Å
581	Q	87.6	Confident	79.4	Confident	27 Å²	27	81 Å²	81	13%	0.126	37%	0.369	C	S	.	.	H	α-helix	trans	-59	-42.9	177.5	-65.8	-170.8	-71.4	0	0	112.5	D552 F577 N583 M584 R585	D552-Q581 HydrophobicContact CB-CG 4.17Å; D552-Q581 WeakPolarHBondContact OD2-CG 3.49Å; D552-Q581 PolarHBondContact OD2-NE2 2.85Å; F577-Q581 HydrophobicContact CD2-CG 4.4Å; F577-Q581 HydrophobicContact CE1-CG 4.22Å; F577-Q581 HydrophobicContact CE2-CG 3.94Å; F577-Q581 HydrophobicContact CZ-CG 3.85Å; F577-Q581 WeakPolarHBondContact O-CG 3.5Å; F577-Q581 PolarHBondContact O-N 3.28Å; Q581-N583 VanDerWaalsContact C-N 3.32Å; Q581-N583 PolarHBondContact O-N 2.92Å; Q581-M584 PolarHBondContact O-N 3.1Å; Q581-R585 WeakPolarHBondContact O-CG 3.48Å; Q581-R585 PolarHBondContact O-N 3.05Å; Q581-R585 VanDerWaalsContact O-N 3.1Å
582	R	83.9	Confident	78.3	Confident	149 Å²	149	83.2 Å²	83.2	56%	0.562	38%	0.381	S	S	*	.	H	α-helix	trans	-60	-42.7	175.3	-74.7	-174	-65	-121.6	-0.3	111.9	K578 A579 F580 L586	K578-R582 WeakPolarHBondContact O-CG 3.35Å; K578-R582 PolarHBondContact O-N 3.25Å; K578-R582 VanDerWaalsContact O-N 3.15Å; A579-R582 PolarHBondContact O-N 2.9Å; F580-R582 VanDerWaalsContact C-N 3.34Å; F580-R582 PolarHBondContact O-N 3.35Å; R582-L586 WeakPolarHBondContact O-CB 3.43Å; R582-L586 WeakPolarHBondContact O-CD1 3.47Å; R582-L586 PolarHBondContact O-N 2.97Å
583	N	77.9	Confident	76.9	Confident	81 Å²	81	84.9 Å²	84.9	43%	0.433	39%	0.392	S	S	.	.	H	α-helix	trans	-69.6	-37.8	-179.7	-69.8	-17.6	0	0	0	112.4	A579 F580 Q581 L586 G587	A579-N583 VanDerWaalsContact O-CG 3.29Å; A579-N583 PolarHBondContact O-N 3.36Å; A579-N583 PolarHBondContact O-ND2 2.92Å; F580-N583 PolarHBondContact O-N 3.43Å; F580-N583 VanDerWaalsContact O-N 3.1Å; Q581-N583 VanDerWaalsContact C-N 3.32Å; Q581-N583 PolarHBondContact O-N 2.92Å; N583-L586 WeakPolarHBondContact O-CB 3.26Å; N583-L586 PolarHBondContact O-N 3.48Å; N583-G587 PolarHBondContact O-N 2.88Å
584	M	76.3	Confident	75.5	Confident	71 Å²	71	90.5 Å²	90.5	35%	0.35	42%	0.422	S	S	.	.	H	α-helix	trans	-61.7	-47.8	174.7	-72.6	-62.9	-68	0	0	111.5	F580 Q581 L586 G587 E588	F580-M584 HydrophobicContact CD1-CG 4.17Å; F580-M584 HydrophobicContact CE1-CG 3.68Å; F580-M584 HydrophobicContact CE2-CG 4.07Å; F580-M584 HydrophobicContact CE2-SD 4.2Å; F580-M584 HydrophobicContact CZ-CG 3.61Å; F580-M584 HydrophobicContact CZ-SD 3.9Å; F580-M584 WeakPolarHBondContact O-CG 3.43Å; F580-M584 PolarHBondContact O-N 3.04Å; Q581-M584 PolarHBondContact O-N 3.1Å; M584-L586 VanDerWaalsContact C-N 3.29Å; M584-L586 PolarHBondContact O-N 3.07Å; M584-G587 PolarHBondContact O-N 3.35Å; M584-E588 PolarHBondContact O-N 3.05Å
585	R	76.8	Confident	73.9	Confident	151 Å²	151	94.5 Å²	94.5	57%	0.57	44%	0.443	S	S	*	.	H	α-helix	trans	-61.3	-36.1	175.6	-68.6	176.8	-173.3	179.9	1.1	112.9	Q581 K589	Q581-R585 WeakPolarHBondContact O-CG 3.48Å; Q581-R585 PolarHBondContact O-N 3.05Å; Q581-R585 VanDerWaalsContact O-N 3.1Å; R585-K589 WeakPolarHBondContact O-CG 3.12Å; R585-K589 PolarHBondContact O-N 3.17Å
586	L	69.1	Low	72.5	Confident	90 Å²	90	88.4 Å²	88.4	47%	0.471	42%	0.422	S	S	.	.	H	α-helix	trans	-65.8	-44.7	172.5	-88	152.6	0	0	0	111	R582 N583 M584 E588 K589 L590	R582-L586 WeakPolarHBondContact O-CB 3.43Å; R582-L586 WeakPolarHBondContact O-CD1 3.47Å; R582-L586 PolarHBondContact O-N 2.97Å; N583-L586 WeakPolarHBondContact O-CB 3.26Å; N583-L586 PolarHBondContact O-N 3.48Å; M584-L586 VanDerWaalsContact C-N 3.29Å; M584-L586 PolarHBondContact O-N 3.07Å; L586-E588 PolarHBondContact O-N 3.1Å; L586-K589 PolarHBondContact O-N 3.33Å; L586-L590 VanDerWaalsContact O-CD1 3.26Å; L586-L590 WeakPolarHBondContact O-CD1 3.5Å; L586-L590 WeakPolarHBondContact O-CG 3.48Å; L586-L590 PolarHBondContact O-N 3.35Å
587	G	65.7	Low	70.8	Confident	23 Å²	23	87.4 Å²	87.4	24%	0.237	42%	0.421	C	S	.	.	H	α-helix	trans	-61.7	-40.9	178.6	0	0	0	0	0	113.4	N583 M584 L590 K591	N583-G587 PolarHBondContact O-N 2.88Å; M584-G587 PolarHBondContact O-N 3.35Å; G587-L590 PolarHBondContact O-N 3.32Å; G587-L590 VanDerWaalsContact O-N 3.1Å; G587-K591 PolarHBondContact O-N 3.22Å
588	E	67.4	Low	69	Low	100 Å²	100	90 Å²	90	47%	0.467	44%	0.442	S	S	.	.	H	α-helix	trans	-61.7	-43	175.2	-73.8	176.5	164.1	0	0	112.1	M584 L586 L590 K591	M584-E588 PolarHBondContact O-N 3.05Å; L586-E588 PolarHBondContact O-N 3.1Å; E588-L590 PolarHBondContact O-N 3.3Å; E588-K591 PolarHBondContact O-N 3.34Å
589	K	62.6	Low	67.4	Low	177 Å²	177	88 Å²	88	77%	0.77	44%	0.437	S	S	*	.	H	α-helix	trans	-64.5	-17.5	174.5	-72.1	-176.9	178.1	-169.7	0	114.1	R585 L586	R585-K589 WeakPolarHBondContact O-CG 3.12Å; R585-K589 PolarHBondContact O-N 3.17Å; L586-K589 PolarHBondContact O-N 3.33Å
590	L	57.4	Low	65.9	Low	45 Å²	45	90.8 Å²	90.8	24%	0.236	44%	0.442	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	-3.6	-175.5	-63.5	165.9	0	0	0	112.7	L586 G587 E588 D592 Y600	L586-L590 VanDerWaalsContact O-CD1 3.26Å; L586-L590 WeakPolarHBondContact O-CD1 3.5Å; L586-L590 WeakPolarHBondContact O-CG 3.48Å; L586-L590 PolarHBondContact O-N 3.35Å; G587-L590 PolarHBondContact O-N 3.32Å; G587-L590 VanDerWaalsContact O-N 3.1Å; E588-L590 PolarHBondContact O-N 3.3Å; L590-D592 PolarHBondContact O-N 3.25Å; L590-Y600 HydrophobicContact CD1-CD2 4Å; L590-Y600 HydrophobicContact CD1-CG 4.27Å
591	K	54.8	Low	64.3	Low	151 Å²	151	93.4 Å²	93.4	66%	0.657	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-23.1	176.9	-84.3	-178.1	176	176.8	0	113.4	G587 E588	G587-K591 PolarHBondContact O-N 3.22Å; E588-K591 PolarHBondContact O-N 3.34Å
592	D	57	Low	62.6	Low	154 Å²	154	95.2 Å²	95.2	82%	0.824	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	5.2	-173.7	-62.4	-27.9	0	0	0	114.9	L590	L590-D592 PolarHBondContact O-N 3.25Å
593	N	58.8	Low	61.4	Low	91 Å²	91	94.8 Å²	94.8	49%	0.487	47%	0.474	S	S	.	.			trans	-151	125.3	179.9	-174.1	-13.9	0	0	0	112	L595 G596 K597	N593-L595 PolarHBondContact O-N 2.91Å; N593-L595 WeakPolarHBondContact OD1-CB 3.31Å; N593-L595 PolarHBondContact OD1-N 3.02Å; N593-G596 WeakPolarHBondContact O-CA 3.38Å; N593-G596 PolarHBondContact O-N 3.04Å; N593-K597 PolarHBondContact O-N 2.81Å
594	D	59.3	Low	60.3	Low	117 Å²	117	95 Å²	95	63%	0.626	48%	0.475	S	S	*	.	H	α-helix	trans	-61.3	-28	176.7	-71.5	-32	0	0	0	113.1	G596 K597 A598	D594-G596 VanDerWaalsContact C-N 3.3Å; D594-G596 PolarHBondContact O-N 3.28Å; D594-K597 PolarHBondContact O-N 3.46Å; D594-K597 IonicContact OD1-NZ 2.69Å; D594-K597 PolarHBondContact OD1-NZ 3.08Å; D594-A598 PolarHBondContact O-N 3.09Å
595	L	57.8	Low	59	Low	110 Å²	110	97.3 Å²	97.3	58%	0.576	48%	0.483	S	S	*	.	H	α-helix	trans	-64.8	-35.9	169.8	-169.8	67.1	0	0	0	111.6	N593 A598 I599	N593-L595 PolarHBondContact O-N 2.91Å; N593-L595 WeakPolarHBondContact OD1-CB 3.31Å; N593-L595 PolarHBondContact OD1-N 3.02Å; L595-A598 PolarHBondContact O-N 2.95Å; L595-I599 HydrophobicContact CD1-CD1 4.49Å; L595-I599 HydrophobicContact CG-CD1 3.99Å; L595-I599 WeakPolarHBondContact O-CB 3.5Å; L595-I599 VanDerWaalsContact O-CG1 3.25Å; L595-I599 WeakPolarHBondContact O-CG1 3.19Å; L595-I599 PolarHBondContact O-N 3.25Å
596	G	59	Low	57.8	Low	6 Å²	6	96.9 Å²	96.9	6%	0.062	49%	0.492	C	S	.	.	H	α-helix	trans	-65	-42.2	176	0	0	0	0	0	112.3	N593 D594 Y600	N593-G596 WeakPolarHBondContact O-CA 3.38Å; N593-G596 PolarHBondContact O-N 3.04Å; D594-G596 VanDerWaalsContact C-N 3.3Å; D594-G596 PolarHBondContact O-N 3.28Å; G596-Y600 WeakPolarHBondContact O-CB 3.34Å; G596-Y600 PolarHBondContact O-N 3.38Å
597	K	56	Low	56.8	Low	102 Å²	102	103.2 Å²	103.2	44%	0.443	51%	0.51	S	S	.	.	H	α-helix	trans	-62.7	-45.1	173.3	-65.6	176.4	-165.8	149.7	0	111.7	N593 D594 Y600 I601	N593-K597 PolarHBondContact O-N 2.81Å; D594-K597 PolarHBondContact O-N 3.46Å; D594-K597 IonicContact OD1-NZ 2.69Å; D594-K597 PolarHBondContact OD1-NZ 3.08Å; K597-Y600 PolarHBondContact O-N 3.22Å; K597-I601 WeakPolarHBondContact O-CB 3.25Å; K597-I601 VanDerWaalsContact O-CG1 3.31Å; K597-I601 WeakPolarHBondContact O-CG1 3.5Å; K597-I601 PolarHBondContact O-N 3.03Å
598	A	54.6	Low	55.6	Low	56 Å²	56	104.9 Å²	104.9	46%	0.463	52%	0.516	S	S	.	.	H	α-helix	trans	-63.7	-42.1	179.7	0	0	0	0	0	112.7	D594 L595 S602	D594-A598 PolarHBondContact O-N 3.09Å; L595-A598 PolarHBondContact O-N 2.95Å; A598-S602 WeakPolarHBondContact O-CB 3.48Å; A598-S602 PolarHBondContact O-N 3.01Å
599	I	57.7	Low	54.4	Low	79 Å²	79	105.9 Å²	105.9	41%	0.405	53%	0.531	S	S	.	.	H	α-helix	trans	-67.6	-37.7	176.8	-68	168.3	0	0	0	111.3	L595 K603	L595-I599 HydrophobicContact CD1-CD1 4.49Å; L595-I599 HydrophobicContact CG-CD1 3.99Å; L595-I599 WeakPolarHBondContact O-CB 3.5Å; L595-I599 VanDerWaalsContact O-CG1 3.25Å; L595-I599 WeakPolarHBondContact O-CG1 3.19Å; L595-I599 PolarHBondContact O-N 3.25Å; I599-K603 HydrophobicContact CG2-CD 4.33Å; I599-K603 PolarHBondContact O-N 3.38Å
600	Y	54.8	Low	53.5	Low	87 Å²	87	101.8 Å²	101.8	34%	0.341	53%	0.53	S	S	.	.	H	α-helix	trans	-64.5	-46.7	177.1	-175	-110.4	0	0	0	112.1	L590 G596 K597 K603 L604	L590-Y600 HydrophobicContact CD1-CD2 4Å; L590-Y600 HydrophobicContact CD1-CG 4.27Å; G596-Y600 WeakPolarHBondContact O-CB 3.34Å; G596-Y600 PolarHBondContact O-N 3.38Å; K597-Y600 PolarHBondContact O-N 3.22Å; Y600-K603 PolarHBondContact O-N 3.37Å; Y600-L604 HydrophobicContact CD1-CD1 4.13Å; Y600-L604 HydrophobicContact CD2-CD1 4.36Å; Y600-L604 HydrophobicContact CE1-CD1 3.55Å; Y600-L604 HydrophobicContact CE2-CD1 3.8Å; Y600-L604 PolarHBondContact O-N 3.41Å
601	I	56.6	Low	52.9	Low	94 Å²	94	103.7 Å²	103.7	48%	0.482	54%	0.54	S	S	.	.	H	α-helix	trans	-57.7	-52.4	175.1	-72.7	172.1	0	0	0	109.5	K597 K603 L604 F605	K597-I601 WeakPolarHBondContact O-CB 3.25Å; K597-I601 VanDerWaalsContact O-CG1 3.31Å; K597-I601 WeakPolarHBondContact O-CG1 3.5Å; K597-I601 PolarHBondContact O-N 3.03Å; I601-K603 VanDerWaalsContact C-N 3.31Å; I601-K603 PolarHBondContact O-N 2.86Å; I601-L604 WeakPolarHBondContact O-CB 3.14Å; I601-L604 PolarHBondContact O-N 3.25Å; I601-L604 VanDerWaalsContact O-N 3.09Å; I601-F605 HydrophobicContact CG2-CD2 3.72Å; I601-F605 HydrophobicContact CG2-CE2 3.75Å; I601-F605 WeakPolarHBondContact O-CD2 3.4Å; I601-F605 PolarHBondContact O-N 3.48Å
602	S	52.2	Low	52.2	Low	65 Å²	65	107.6 Å²	107.6	46%	0.455	55%	0.551	S	S	.	*	H	α-helix	trans	-51.9	-44.8	176.2	160.5	0	0	0	0	113.4	A598 N606	A598-S602 WeakPolarHBondContact O-CB 3.48Å; A598-S602 PolarHBondContact O-N 3.01Å; S602-N606 WeakPolarHBondContact O-CB 3.46Å; S602-N606 PolarHBondContact O-N 3Å; S602-N606 VanDerWaalsContact O-N 3.09Å
603	K	57.9	Low	51.4	Low	140 Å²	140	103.7 Å²	103.7	61%	0.609	55%	0.547	S	S	*	.	H	α-helix	trans	-72.6	-31.3	179	-76.1	-179	178.4	176.9	0	113.7	I599 Y600 I601	I599-K603 HydrophobicContact CG2-CD 4.33Å; I599-K603 PolarHBondContact O-N 3.38Å; Y600-K603 PolarHBondContact O-N 3.37Å; I601-K603 VanDerWaalsContact C-N 3.31Å; I601-K603 PolarHBondContact O-N 2.86Å
604	L	53.7	Low	50.4	Low	87 Å²	87	110 Å²	110	46%	0.455	56%	0.564	S	S	.	*	H	α-helix	trans	-67	-43.5	174.7	-124.7	96.6	0	0	0	111.3	Y600 I601 T608	Y600-L604 HydrophobicContact CD1-CD1 4.13Å; Y600-L604 HydrophobicContact CD2-CD1 4.36Å; Y600-L604 HydrophobicContact CE1-CD1 3.55Å; Y600-L604 HydrophobicContact CE2-CD1 3.8Å; Y600-L604 PolarHBondContact O-N 3.41Å; I601-L604 WeakPolarHBondContact O-CB 3.14Å; I601-L604 PolarHBondContact O-N 3.25Å; I601-L604 VanDerWaalsContact O-N 3.09Å; L604-T608 PolarHBondContact O-OG1 3.33Å
605	F	50.5	Low	49.4	Very low	118 Å²	118	112 Å²	112	52%	0.518	57%	0.574	S	S	.	*	H	α-helix	trans	-74.2	-33.3	-178.4	-77.7	-78.9	0	0	0	112.7	I601 R607 L611	I601-F605 HydrophobicContact CG2-CD2 3.72Å; I601-F605 HydrophobicContact CG2-CE2 3.75Å; I601-F605 WeakPolarHBondContact O-CD2 3.4Å; I601-F605 PolarHBondContact O-N 3.48Å; F605-R607 VanDerWaalsContact C-N 3.31Å; F605-R607 PolarHBondContact O-N 3.05Å; F605-L611 HydrophobicContact CD1-CB 4.46Å; F605-L611 HydrophobicContact CD1-CD1 3.83Å; F605-L611 HydrophobicContact CE1-CD1 3.74Å
606	N	51.1	Low	48.7	Very low	142 Å²	142	116.7 Å²	116.7	76%	0.759	59%	0.59	S	S	*	*	H	α-helix	trans	-74.4	-13.6	177.2	-93.7	-20.7	0	0	0	115.2	S602	S602-N606 WeakPolarHBondContact O-CB 3.46Å; S602-N606 PolarHBondContact O-N 3Å; S602-N606 VanDerWaalsContact O-N 3.09Å
607	R	48.2	Very low	47.8	Very low	223 Å²	223	124 Å²	124	84%	0.842	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.8	4.9	-179.4	-72	-169	174.6	-160.7	-1.3	114.5	F605	F605-R607 VanDerWaalsContact C-N 3.31Å; F605-R607 PolarHBondContact O-N 3.05Å
608	T	40	Very low	46.7	Very low	59 Å²	59	127.6 Å²	127.6	36%	0.362	65%	0.65	S	S	.	*			trans	-114.3	106.4	-176.6	-42.3	0	0	0	0	110.5	L604 A610 L611	L604-T608 PolarHBondContact O-OG1 3.33Å; T608-A610 HydrophobicContact CG2-CB 4.28Å; T608-A610 PolarHBondContact O-N 3.03Å; T608-A610 VanDerWaalsContact O-N 3.08Å; T608-L611 HydrophobicContact CG2-CD1 4.34Å
609	P	42.6	Very low	45.8	Very low	121 Å²	121	137.3 Å²	137.3	79%	0.786	69%	0.685	S	S	*	*	G	3₁₀ helix	trans	-59.6	-20.5	178.3	-23.4	32.9	0	0	0	114.1	L611	P609-L611 PolarHBondContact O-N 3.03Å
610	A	44.2	Very low	45.2	Very low	90 Å²	90	140.2 Å²	140.2	74%	0.744	70%	0.699	S	S	*	*	G	3₁₀ helix	trans	-83.5	-2.3	-170.9	0	0	0	0	0	115.8	T608	T608-A610 HydrophobicContact CG2-CB 4.28Å; T608-A610 PolarHBondContact O-N 3.03Å; T608-A610 VanDerWaalsContact O-N 3.08Å
611	L	43.4	Very low	44.7	Very low	85 Å²	85	143 Å²	143	45%	0.445	72%	0.718	S	S	.	*	G	3₁₀ helix	trans	-115.1	4.1	-172.9	-71.1	167.2	0	0	0	115.2	F605 T608 P609 G613	F605-L611 HydrophobicContact CD1-CB 4.46Å; F605-L611 HydrophobicContact CD1-CD1 3.83Å; F605-L611 HydrophobicContact CE1-CD1 3.74Å; T608-L611 HydrophobicContact CG2-CD1 4.34Å; P609-L611 PolarHBondContact O-N 3.03Å; L611-G613 PolarHBondContact O-N 3.09Å
612	R	40.6	Very low	44.1	Very low	233 Å²	233	145.7 Å²	145.7	88%	0.879	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.5	-6.8	176.9	-83.7	-175.8	-176	172.1	1.5	115.1
613	G	40.2	Very low	43.6	Very low	72 Å²	72	150.5 Å²	150.5	74%	0.742	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.2	1.8	-172.7	0	0	0	0	0	117.4	L611	L611-G613 PolarHBondContact O-N 3.09Å
614	R	37.2	Very low	42.7	Very low	224 Å²	224	151.1 Å²	151.1	85%	0.845	76%	0.756	S	S	*	*			trans	-132.4	61.3	-176.5	-72.1	-173.7	-178.8	175	0.4	113	K616	R614-K616 PolarHBondContact O-N 2.86Å
615	N	39.7	Very low	41.9	Very low	159 Å²	159	155.4 Å²	155.4	85%	0.85	78%	0.776	S	S	*	*			trans	-91.7	52.5	174.5	-97.2	-16.1	0	0	0	112.8
616	K	42.7	Very low	41.3	Very low	208 Å²	208	158.1 Å²	158.1	90%	0.904	80%	0.795	S	S	*	*	S	Bend	trans	-131.5	8.6	178.9	-94.2	-170.4	177.3	-176.2	0	115.8	R614	R614-K616 PolarHBondContact O-N 2.86Å
617	L	39	Very low	40.6	Very low	159 Å²	159	159.3 Å²	159.3	83%	0.832	80%	0.798	S	S	*	*	S	Bend	trans	-121.5	14.2	-170.7	-110.9	136.2	0	0	0	114.8
618	L	34.1	Very low	40	Very low	178 Å²	178	154 Å²	154	93%	0.932	79%	0.794	S	S	*	*			trans	-134.1	63.6	179.8	-86.3	148.9	0	0	0	110.2
619	H	35.8	Very low	39.9	Very low	260 Å²	260	162.6 Å²	162.6	100%	1.204	83%	0.833	S	S	*	*			trans	-113.5	0	142.3	-123.1	-44.4	0	0	0	105.4

Retrieved 619 of 619 residues in 649 ms (Link to these results)

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