G4VR00_SCHMA Loading...

Serine/threonine-protein

AlphaFold DB , UniProt , Accession G4VR00, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 560 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	27.6	Very low	39.6	Very low	243 Å²	243	134.2 Å²	134.2	100%	1.197	63%	0.634	S	S	*	*				0	107.2	0	-73.5	177.2	169.2	0	0	106.2
2	N	33.9	Very low	39.9	Very low	152 Å²	152	133.8 Å²	133.8	81%	0.813	63%	0.631	S	S	*	*			trans	-74.6	162.9	-178.9	-76	-7.4	0	0	0	110.7	N4	N2-N4 VanDerWaalsContact C-N 3.29Å; N2-N4 PolarHBondContact O-N 3.16Å
3	K	42.9	Very low	40.2	Very low	192 Å²	192	132.4 Å²	132.4	84%	0.835	63%	0.63	S	S	*	*	S	Bend	trans	-75.1	-3.8	-164.6	-80	-176.5	171.8	-178.2	0	116.2
4	N	43.5	Very low	40.8	Very low	99 Å²	99	124.5 Å²	124.5	53%	0.529	60%	0.602	S	S	.	*			trans	-99.8	111	-168.5	-60.4	24.2	0	0	0	109.6	N2 W41	N2-N4 VanDerWaalsContact C-N 3.29Å; N2-N4 PolarHBondContact O-N 3.16Å; N4-W41 HydrophobicContact CB-CE3 4.37Å
5	Y	46.2	Very low	41.1	Very low	189 Å²	189	129.1 Å²	129.1	74%	0.741	62%	0.617	S	S	*	*			trans	-89.3	146.5	171.1	-67.9	-87.1	0	0	0	109.5
6	P	40.7	Very low	41.4	Very low	59 Å²	59	125.1 Å²	125.1	38%	0.383	60%	0.604	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-66.3	136.6	173.9	29.6	-35.1	0	0	0	110.2	I9 I39 W41	P6-I9 HydrophobicContact CB-CD1 4.46Å; P6-I9 HydrophobicContact CB-CG1 4.29Å; P6-I9 HydrophobicContact CG-CD1 4.38Å; P6-I39 HydrophobicContact CB-CG2 3.55Å; P6-W41 HydrophobicContact CB-CZ3 4.47Å
7	R	40.1	Very low	41.8	Very low	160 Å²	160	122.7 Å²	122.7	60%	0.604	59%	0.594	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-79.1	-54.3	174.8	175.2	-174.8	156.8	173.1	-2.2	110.1	H40	R7-H40 PolarHBondContact N-O 3.46Å
8	E	38.8	Very low	42	Very low	80 Å²	80	122.4 Å²	122.4	37%	0.374	59%	0.591	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-139.7	148.6	-177	-79.4	156.2	-134.3	0	0	109.7	H40	E8-H40 HydrophobicContact CB-CB 4.27Å; E8-H40 PolarHBondContact N-O 3.09Å; E8-H40 PolarHBondContact O-N 3.11Å
9	I	40.1	Very low	42.3	Very low	94 Å²	94	120.8 Å²	120.8	48%	0.482	59%	0.586	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-128.5	107	178	-58.6	175.9	0	0	0	107.5	P6 I11 V37 I39	P6-I9 HydrophobicContact CB-CD1 4.46Å; P6-I9 HydrophobicContact CB-CG1 4.29Å; P6-I9 HydrophobicContact CG-CD1 4.38Å; I9-I11 HydrophobicContact CG2-CG1 4.15Å; I9-V37 HydrophobicContact CG2-CG1 3.57Å; I9-I39 HydrophobicContact CG1-CG1 4.44Å; I9-I39 HydrophobicContact CG1-CG2 4.42Å; I9-I39 HydrophobicContact CG2-CG1 4.43Å
10	H	40	Very low	42.5	Very low	103 Å²	103	126.4 Å²	126.4	48%	0.477	60%	0.6	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-91.4	127.2	173.5	-76.5	150.5	0	0	0	110.2	V37 T38 H40	H10-V37 CarbonylContact O-C 3.57Å; H10-V37 WeakPolarHBondContact O-CA 3.45Å; H10-T38 PolarHBondContact N-O 2.67Å; H10-T38 PolarHBondContact O-N 2.9Å; H10-H40 AromaticContact ND1-NE2 3.52Å
11	I	42.4	Very low	42.9	Very low	105 Å²	105	124.5 Å²	124.5	54%	0.538	60%	0.601	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-115.3	104.6	177.8	-55.3	178.7	0	0	0	107.4	I9 R35 V37	I9-I11 HydrophobicContact CG2-CG1 4.15Å; I11-R35 HydrophobicContact CG2-CB 4.14Å; I11-R35 HydrophobicContact CG2-CG 4.49Å; I11-V37 HydrophobicContact CG1-CG1 4.34Å; I11-V37 HydrophobicContact CG1-CG2 4.23Å; I11-V37 HydrophobicContact CG2-CG2 4.36Å
12	Q	42.4	Very low	43.7	Very low	129 Å²	129	114.3 Å²	114.3	60%	0.603	56%	0.555	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-91.8	132.6	172.6	-70.8	-176.8	-12.5	0	0	109.7	G14 R35 N36	Q12-G14 PolarHBondContact O-N 3.25Å; Q12-R35 WeakPolarHBondContact O-CA 3.29Å; Q12-N36 PolarHBondContact N-O 3.04Å; Q12-N36 PolarHBondContact O-N 3.13Å; Q12-N36 VanDerWaalsContact O-N 3.09Å
13	N	44.3	Very low	44.2	Very low	116 Å²	116	114.4 Å²	114.4	62%	0.62	56%	0.555	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-67.1	115.1	170.5	-72	-43	0	0	0	108.8	R35	N13-R35 PolarHBondContact OD1-NE 3.28Å
14	G	48.1	Very low	44.6	Very low	22 Å²	22	109.6 Å²	109.6	23%	0.227	55%	0.546	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	172.8	173.3	0	0	0	0	0	111.8	Q12 E34	Q12-G14 PolarHBondContact O-N 3.25Å; G14-E34 WeakPolarHBondContact CA-O 3.4Å; G14-E34 PolarHBondContact N-O 3Å
15	K	46.1	Very low	44.7	Very low	193 Å²	193	110.8 Å²	110.8	84%	0.839	55%	0.552	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-76.8	142	175.6	-65.5	-177.4	-175.9	-178.2	0	109.9	I17	K15-I17 PolarHBondContact O-N 2.89Å
16	T	46.3	Very low	44.5	Very low	65 Å²	65	106 Å²	106	40%	0.399	56%	0.56	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-62.2	121.4	173.9	-13.6	0	0	0	0	110.3	L33	T16-L33 HydrophobicContact CG2-CG 4.33Å
17	I	47.4	Very low	44.3	Very low	85 Å²	85	111.3 Å²	111.3	44%	0.436	58%	0.577	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-91.1	105.6	172.9	-58.2	-179.2	0	0	0	108.1	K15 N19 E34	K15-I17 PolarHBondContact O-N 2.89Å; I17-N19 PolarHBondContact O-N 3.02Å; I17-E34 HydrophobicContact CD1-CG 4.4Å; I17-E34 WeakPolarHBondContact CD1-OE2 2.86Å
18	H	45.8	Very low	44.2	Very low	118 Å²	118	113 Å²	113	55%	0.546	59%	0.588	S	S	.	*			trans	-73.4	119.6	167.9	-69.5	-79.1	0	0	0	109.4	R20 D29	H18-R20 PolarHBondContact O-N 3.02Å; H18-R20 VanDerWaalsContact O-N 3.08Å; H18-D29 IonicContact CE1-OD2 2.81Å; H18-D29 PolarHBondContact CE1-OD2 3.27Å; H18-D29 IonicContact CG-OD2 2.72Å; H18-D29 IonicContact ND1-OD2 3.77Å; H18-D29 PolarHBondContact ND1-OD2 2.87Å
19	N	47	Very low	44.2	Very low	91 Å²	91	112.8 Å²	112.8	49%	0.487	59%	0.59	S	S	.	*			trans	-69	106.3	174.7	-91.8	-38.4	0	0	0	109.6	I17 S21 A22	I17-N19 PolarHBondContact O-N 3.02Å; N19-S21 PolarHBondContact O-N 3.31Å; N19-A22 HydrophobicContact CB-CB 4.27Å; N19-A22 WeakPolarHBondContact O-CB 3.38Å; N19-A22 PolarHBondContact O-N 2.98Å
20	R	47.1	Very low	44.4	Very low	232 Å²	232	114.7 Å²	114.7	88%	0.875	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.8	-20.7	173.8	-77	-173.9	173.6	-176.7	-2.2	113.3	H18	H18-R20 PolarHBondContact O-N 3.02Å; H18-R20 VanDerWaalsContact O-N 3.08Å
21	S	49.5	Very low	44.5	Very low	88 Å²	88	112.3 Å²	112.3	62%	0.615	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.2	-13.7	173.5	53	0	0	0	0	115	N19	N19-S21 PolarHBondContact O-N 3.31Å
22	A	46.2	Very low	44.7	Very low	29 Å²	29	113.1 Å²	113.1	24%	0.24	60%	0.596	C	S	.	*	T	Hydrogen-bonded Turn	trans	-77	-29.9	174.8	0	0	0	0	0	112.2	N19 S24 N25	N19-A22 HydrophobicContact CB-CB 4.27Å; N19-A22 WeakPolarHBondContact O-CB 3.38Å; N19-A22 PolarHBondContact O-N 2.98Å; A22-S24 VanDerWaalsContact C-N 3.29Å; A22-S24 PolarHBondContact O-N 3.11Å; A22-N25 PolarHBondContact O-N 3.17Å
23	L	43.6	Very low	44.7	Very low	153 Å²	153	111.7 Å²	111.7	80%	0.801	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.1	-25.3	-177.2	-78.8	159.8	0	0	0	114.3
24	S	50.5	Low	44.5	Very low	92 Å²	92	108.7 Å²	108.7	64%	0.643	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.4	-16.5	-179.4	65.9	0	0	0	0	114.8	A22	A22-S24 VanDerWaalsContact C-N 3.29Å; A22-S24 PolarHBondContact O-N 3.11Å
25	N	45.9	Very low	44.2	Very low	124 Å²	124	113.5 Å²	113.5	66%	0.663	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134.1	35	-163.6	-90.8	-26.2	0	0	0	114	A22 K27	A22-N25 PolarHBondContact O-N 3.17Å; N25-K27 WeakPolarHBondContact O-CG 3.27Å; N25-K27 PolarHBondContact O-N 2.9Å
26	G	42.8	Very low	44.2	Very low	87 Å²	87	107.3 Å²	107.3	90%	0.897	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	57.1	11.8	157.7	0	0	0	0	0	118
27	K	36	Very low	43.9	Very low	172 Å²	172	104.9 Å²	104.9	75%	0.748	55%	0.546	S	S	*	.			trans	-98.5	140.4	-176.5	-79.4	175.1	179.6	177.5	0	109.9	N25 D29	N25-K27 WeakPolarHBondContact O-CG 3.27Å; N25-K27 PolarHBondContact O-N 2.9Å; K27-D29 PolarHBondContact O-N 3.3Å
28	K	37.6	Very low	43.9	Very low	195 Å²	195	102.1 Å²	102.1	85%	0.848	53%	0.534	S	S	*	.			trans	-44	127.8	178.3	-71.4	-177.6	174.4	-178.5	0	110.7	N30	K28-N30 VanDerWaalsContact C-N 3.33Å; K28-N30 PolarHBondContact O-N 3.45Å
29	D	38.9	Very low	43.8	Very low	76 Å²	76	98.2 Å²	98.2	41%	0.406	52%	0.516	S	S	.	.			trans	-68.1	89.3	-179.2	-171.2	19.4	0	0	0	110.1	H18 K27 S31	H18-D29 IonicContact CE1-OD2 2.81Å; H18-D29 PolarHBondContact CE1-OD2 3.27Å; H18-D29 IonicContact CG-OD2 2.72Å; H18-D29 IonicContact ND1-OD2 3.77Å; H18-D29 PolarHBondContact ND1-OD2 2.87Å; K27-D29 PolarHBondContact O-N 3.3Å; D29-S31 PolarHBondContact O-N 2.83Å
30	N	44.2	Very low	43.8	Very low	133 Å²	133	96.9 Å²	96.9	71%	0.711	51%	0.507	S	S	*	.			trans	-72.8	68.6	170.7	-83.2	-8.6	0	0	0	109.1	K28 K32	K28-N30 VanDerWaalsContact C-N 3.33Å; K28-N30 PolarHBondContact O-N 3.45Å; N30-K32 PolarHBondContact O-N 2.8Å
31	S	43.5	Very low	43.7	Very low	54 Å²	54	90.8 Å²	90.8	38%	0.378	48%	0.484	S	S	.	.			trans	-63.7	105.1	174.5	55.8	0	0	0	0	109.1	D29	D29-S31 PolarHBondContact O-N 2.83Å
32	K	45.3	Very low	43.4	Very low	121 Å²	121	89.1 Å²	89.1	53%	0.526	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	126.1	177	-77.3	-169.8	162.9	-153.2	0	109.6	N30 E34 L560	N30-K32 PolarHBondContact O-N 2.8Å; K32-E34 PolarHBondContact O-N 3.4Å; K32-L560 PolarHBondContact NZ-OXT 3.1Å
33	L	41.7	Very low	43.1	Very low	99 Å²	99	94.1 Å²	94.1	52%	0.518	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	96.5	164.7	-97.5	133.7	0	0	0	108.8	T16	T16-L33 HydrophobicContact CG2-CG 4.33Å
34	E	41.2	Very low	43.2	Very low	54 Å²	54	92.1 Å²	92.1	25%	0.252	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	140.9	162.4	-71.9	-169.4	155.8	0	0	109.4	G14 I17 K32 L560	G14-E34 WeakPolarHBondContact CA-O 3.4Å; G14-E34 PolarHBondContact N-O 3Å; I17-E34 HydrophobicContact CD1-CG 4.4Å; I17-E34 WeakPolarHBondContact CD1-OE2 2.86Å; K32-E34 PolarHBondContact O-N 3.4Å; E34-L560 HydrophobicContact CG-CD2 4.29Å; E34-L560 WeakPolarHBondContact OE1-CD2 3.31Å
35	R	42.2	Very low	42.6	Very low	123 Å²	123	96.1 Å²	96.1	46%	0.464	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	129.3	173.5	-69	-172.7	169.8	132.1	-0.8	109.5	I11 Q12 N13 V37	I11-R35 HydrophobicContact CG2-CB 4.14Å; I11-R35 HydrophobicContact CG2-CG 4.49Å; Q12-R35 WeakPolarHBondContact O-CA 3.29Å; N13-R35 PolarHBondContact OD1-NE 3.28Å; R35-V37 PolarHBondContact O-N 2.68Å
36	N	44.7	Very low	41.8	Very low	62 Å²	62	95 Å²	95	33%	0.332	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	121.3	174.5	-72.9	-19.1	0	0	0	108.5	Q12	Q12-N36 PolarHBondContact N-O 3.04Å; Q12-N36 PolarHBondContact O-N 3.13Å; Q12-N36 VanDerWaalsContact O-N 3.09Å
37	V	41.9	Very low	41.4	Very low	14 Å²	14	93.5 Å²	93.5	9%	0.085	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	109.1	178.8	-175.2	0	0	0	0	108.9	I9 H10 I11 R35 I39 C557 I559	I9-V37 HydrophobicContact CG2-CG1 3.57Å; H10-V37 CarbonylContact O-C 3.57Å; H10-V37 WeakPolarHBondContact O-CA 3.45Å; I11-V37 HydrophobicContact CG1-CG1 4.34Å; I11-V37 HydrophobicContact CG1-CG2 4.23Å; I11-V37 HydrophobicContact CG2-CG2 4.36Å; R35-V37 PolarHBondContact O-N 2.68Å; V37-I39 HydrophobicContact CG1-CG1 4.09Å; V37-C557 PolarHBondContact O-N 3.16Å; V37-I559 HydrophobicContact CB-CD1 4.16Å; V37-I559 HydrophobicContact CG2-CD1 3.89Å; V37-I559 HydrophobicContact CG2-CG1 4.31Å
38	T	46.2	Very low	41.1	Very low	28 Å²	28	91.4 Å²	91.4	17%	0.172	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	122.2	175	-55.5	0	0	0	0	108.6	H10	H10-T38 PolarHBondContact N-O 2.67Å; H10-T38 PolarHBondContact O-N 2.9Å
39	I	44.8	Very low	41.1	Very low	35 Å²	35	89.4 Å²	89.4	18%	0.179	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	114.8	-178.5	-56.8	179.9	0	0	0	108.4	P6 I9 V37 W41	P6-I39 HydrophobicContact CB-CG2 3.55Å; I9-I39 HydrophobicContact CG1-CG1 4.44Å; I9-I39 HydrophobicContact CG1-CG2 4.42Å; I9-I39 HydrophobicContact CG2-CG1 4.43Å; V37-I39 HydrophobicContact CG1-CG1 4.09Å; I39-W41 HydrophobicContact CB-CZ2 4.26Å; I39-W41 HydrophobicContact CG2-CD2 4.23Å; I39-W41 HydrophobicContact CG2-CH2 4.16Å; I39-W41 HydrophobicContact CG2-CZ2 3.66Å; I39-W41 PolarHBondContact O-NE1 3.24Å
40	H	45.3	Very low	40.6	Very low	64 Å²	64	91.8 Å²	91.8	30%	0.296	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	123.9	175.7	-63	-89.8	0	0	0	109.1	R7 E8 H10	R7-H40 PolarHBondContact N-O 3.46Å; E8-H40 HydrophobicContact CB-CB 4.27Å; E8-H40 PolarHBondContact N-O 3.09Å; E8-H40 PolarHBondContact O-N 3.11Å; H10-H40 AromaticContact ND1-NE2 3.52Å
41	W	46.1	Very low	39.7	Very low	103 Å²	103	91.3 Å²	91.3	39%	0.39	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	145.5	-180	-56.1	92.3	0	0	0	110	N4 P6 I39	N4-W41 HydrophobicContact CB-CE3 4.37Å; P6-W41 HydrophobicContact CB-CZ3 4.47Å; I39-W41 HydrophobicContact CB-CZ2 4.26Å; I39-W41 HydrophobicContact CG2-CD2 4.23Å; I39-W41 HydrophobicContact CG2-CH2 4.16Å; I39-W41 HydrophobicContact CG2-CZ2 3.66Å; I39-W41 PolarHBondContact O-NE1 3.24Å
42	C	42.3	Very low	38.9	Very low	54 Å²	54	94.1 Å²	94.1	37%	0.365	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-71.8	145.4	171.5	-113.4	0	0	0	0	111.1
43	E	41.1	Very low	38.3	Very low	134 Å²	134	95 Å²	95	63%	0.626	47%	0.472	S	S	*	.	P	Polyproline II helix	trans	-69.5	159.9	174	-67.7	-173.7	163	0	0	112.1	E45	E43-E45 VanDerWaalsContact C-N 3.28Å; E43-E45 PolarHBondContact O-N 2.99Å
44	S	45.4	Very low	37.7	Very low	111 Å²	111	96 Å²	96	78%	0.776	47%	0.474	S	S	*	.	S	Bend	trans	-64.7	-29.1	-173.9	-53.9	0	0	0	0	114.1
45	E	37.7	Very low	37.2	Very low	176 Å²	176	95.5 Å²	95.5	82%	0.822	47%	0.471	S	S	*	.	S	Bend	trans	-99.8	-28.2	-170.1	-59.1	-163.3	155.6	0	0	113.4	E43 S47	E43-E45 VanDerWaalsContact C-N 3.28Å; E43-E45 PolarHBondContact O-N 2.99Å; E45-S47 PolarHBondContact O-N 3.19Å
46	M	29.3	Very low	36.9	Very low	100 Å²	100	93 Å²	93	49%	0.493	47%	0.469	S	S	.	.	S	Bend	trans	-69.4	78.8	165.2	-76.1	-170.2	74.3	0	0	110.4
47	S	33.9	Very low	36.5	Very low	56 Å²	56	90.1 Å²	90.1	39%	0.392	45%	0.454	S	S	.	.			trans	-65.6	153	176.8	88.4	0	0	0	0	110.4	E45 H49 E50	E45-S47 PolarHBondContact O-N 3.19Å; S47-H49 PolarHBondContact O-N 3.46Å; S47-H49 WeakPolarHBondContact OG-CB 3.39Å; S47-H49 PolarHBondContact OG-N 3.07Å; S47-E50 PolarHBondContact O-N 3.44Å
48	Y	30.6	Very low	36.6	Very low	127 Å²	127	89.4 Å²	89.4	50%	0.498	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-9.4	175.7	-176.7	-89.4	0	0	0	114.3	L51 R79	Y48-L51 HydrophobicContact CD2-CD1 4.33Å; Y48-L51 HydrophobicContact CE2-CD1 4.3Å; Y48-R79 PolarHBondContact OH-NE 3.04Å; Y48-R79 PolarHBondContact OH-NH1 3.41Å
49	H	36	Very low	36.7	Very low	154 Å²	154	89.8 Å²	89.8	71%	0.713	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-17.1	175.5	-65	-90.7	0	0	0	114.7	S47	S47-H49 PolarHBondContact O-N 3.46Å; S47-H49 WeakPolarHBondContact OG-CB 3.39Å; S47-H49 PolarHBondContact OG-N 3.07Å
50	E	28.6	Very low	36.9	Very low	125 Å²	125	88.6 Å²	88.6	58%	0.584	44%	0.444	S	S	*	.			trans	-97.3	1.3	-176.2	-66.8	179.5	160.3	0	0	114.1	S47 S52	S47-E50 PolarHBondContact O-N 3.44Å; E50-S52 PolarHBondContact O-N 2.87Å
51	L	26.5	Very low	37.1	Very low	124 Å²	124	90.4 Å²	90.4	65%	0.649	45%	0.449	S	S	*	.			trans	-72.9	71.7	161.3	-69.9	172.2	0	0	0	109.2	Y48 R53	Y48-L51 HydrophobicContact CD2-CD1 4.33Å; Y48-L51 HydrophobicContact CE2-CD1 4.3Å; L51-R53 PolarHBondContact O-N 2.76Å
52	S	25.3	Very low	37.1	Very low	113 Å²	113	87.9 Å²	87.9	79%	0.79	44%	0.443	S	S	*	.			trans	-56.3	110.6	169.9	47	0	0	0	0	108.9	E50	E50-S52 PolarHBondContact O-N 2.87Å
53	R	33.9	Very low	37.2	Very low	139 Å²	139	90.8 Å²	90.8	53%	0.525	46%	0.455	S	S	.	.			trans	-80.9	130.9	171.3	-75.1	178.1	166.6	-156.7	-8.2	108.6	L51 Y55	L51-R53 PolarHBondContact O-N 2.76Å; R53-Y55 VanDerWaalsContact C-N 3.33Å; R53-Y55 PolarHBondContact O-N 2.89Å
54	E	28.8	Very low	37.1	Very low	119 Å²	119	92.4 Å²	92.4	56%	0.556	46%	0.462	S	S	*	.			trans	-72.7	95	161.2	-63	-167.3	174.9	0	0	109	N68	E54-N68 PolarHBondContact OE1-ND2 3.21Å; E54-N68 WeakPolarHBondContact OE2-CB 3.31Å; E54-N68 PolarHBondContact OE2-ND2 2.65Å
55	Y	29.8	Very low	36.9	Very low	45 Å²	45	88.9 Å²	88.9	18%	0.176	44%	0.435	C	S	.	.			trans	23.7	127.4	133.3	-162.2	-64.2	0	0	0	117.7	R53 G57 V58 Y70 E86 R90	R53-Y55 VanDerWaalsContact C-N 3.33Å; R53-Y55 PolarHBondContact O-N 2.89Å; Y55-G57 VanDerWaalsContact CE1-O 3.24Å; Y55-G57 WeakPolarHBondContact CE1-O 3.26Å; Y55-G57 PolarHBondContact OH-O 3.02Å; Y55-V58 HydrophobicContact CD1-CG1 3.46Å; Y55-V58 VanDerWaalsContact CD1-CG1 3.46Å; Y55-V58 HydrophobicContact CE1-CB 3.97Å; Y55-V58 HydrophobicContact CE1-CG1 3.38Å; Y55-Y70 WeakPolarHBondContact O-CE1 3.34Å; Y55-E86 VanDerWaalsContact CA-OE1 3.29Å; Y55-E86 WeakPolarHBondContact CA-OE1 3.42Å; Y55-E86 WeakPolarHBondContact CD1-OE2 3.47Å; Y55-E86 HydrophobicContact CD2-CB 4.31Å; Y55-E86 HydrophobicContact CD2-CG 3.66Å; Y55-E86 HydrophobicContact CE1-CB 4.15Å; Y55-E86 HydrophobicContact CE1-CG 4.38Å; Y55-E86 WeakPolarHBondContact CE1-OE2 3.36Å; Y55-E86 HydrophobicContact CE2-CB 3.59Å; Y55-E86 HydrophobicContact CE2-CG 3.39Å; Y55-E86 HydrophobicContact CG-CG 4.29Å; Y55-E86 VanDerWaalsContact CZ-CB 3.44Å; Y55-E86 WeakPolarHBondContact OH-CB 3.47Å; Y55-E86 PolarHBondContact OH-O 2.91Å; Y55-R90 VanDerWaalsContact CZ-NE 3.28Å; Y55-R90 WeakPolarHBondContact OH-CD 3.08Å; Y55-R90 PolarHBondContact OH-NE 3.48Å; Y55-R90 PolarHBondContact OH-NH2 3.3Å
56	T	36.8	Very low	37	Very low	70 Å²	70	83.7 Å²	83.7	43%	0.429	41%	0.41	S	S	.	.			trans	-130.7	-18.8	176.7	66.8	0	0	0	0	117.1	V58 E86 P339	T56-V58 PolarHBondContact O-N 2.71Å; T56-E86 PolarHBondContact N-OE2 3.46Å; T56-P339 WeakPolarHBondContact O-CD 3.38Å
57	G	35.7	Very low	37.5	Very low	1 Å²	1	86.1 Å²	86.1	1%	0.01	43%	0.425	C	S	.	.	S	Bend	trans	-92.7	69	-178.6	0	0	0	0	0	113	Y55 E86 G337	Y55-G57 VanDerWaalsContact CE1-O 3.24Å; Y55-G57 WeakPolarHBondContact CE1-O 3.26Å; Y55-G57 PolarHBondContact OH-O 3.02Å; G57-E86 PolarHBondContact N-OE2 3.02Å; G57-E86 VanDerWaalsContact N-OE2 3.09Å; G57-G337 CarbonylContact C-O 3.53Å
58	V	44.4	Very low	37.5	Very low	0 Å²	0	86.1 Å²	86.1	0%	0	42%	0.421	C	S	.	.	B	Isolated β-bridge	trans	-84.6	147.7	-163.3	-57.3	0	0	0	0	113	Y55 T56 I60 L65 Y70 G337 P339	Y55-V58 HydrophobicContact CD1-CG1 3.46Å; Y55-V58 VanDerWaalsContact CD1-CG1 3.46Å; Y55-V58 HydrophobicContact CE1-CB 3.97Å; Y55-V58 HydrophobicContact CE1-CG1 3.38Å; T56-V58 PolarHBondContact O-N 2.71Å; V58-I60 HydrophobicContact CG2-CB 4.3Å; V58-I60 HydrophobicContact CG2-CG2 3.53Å; V58-I60 PolarHBondContact O-N 3.37Å; V58-L65 HydrophobicContact CG1-CD1 4.26Å; V58-Y70 HydrophobicContact CG1-CE1 4.49Å; V58-G337 PolarHBondContact N-O 2.82Å; V58-G337 VanDerWaalsContact N-O 3.16Å; V58-G337 PolarHBondContact O-N 3.2Å; V58-P339 HydrophobicContact CG2-CG 3.48Å; V58-P339 VanDerWaalsContact CG2-CG 3.48Å
59	D	47.4	Very low	37.6	Very low	36 Å²	36	83.4 Å²	83.4	19%	0.193	42%	0.42	C	S	.	.			trans	-64.6	109.6	139.8	165	24.3	0	0	0	106.6	R61 N62 R90 F335	D59-R61 PolarHBondContact O-N 3.41Å; D59-R61 WeakPolarHBondContact OD1-CB 3.04Å; D59-R61 PolarHBondContact OD1-N 3.16Å; D59-N62 PolarHBondContact O-N 2.94Å; D59-R90 PolarHBondContact O-NH1 3.2Å; D59-F335 WeakPolarHBondContact CA-O 3.48Å; D59-F335 WeakPolarHBondContact CB-O 3.4Å; D59-F335 WeakPolarHBondContact OD1-CB 3.31Å
60	I	50.4	Low	37.7	Very low	9 Å²	9	78.1 Å²	78.1	5%	0.046	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-8.5	-176.3	59.5	175.9	0	0	0	113.4	V58 P339 A342 L346 F347	V58-I60 HydrophobicContact CG2-CB 4.3Å; V58-I60 HydrophobicContact CG2-CG2 3.53Å; V58-I60 PolarHBondContact O-N 3.37Å; I60-P339 HydrophobicContact CG2-CG 4.21Å; I60-A342 HydrophobicContact CD1-CB 4.04Å; I60-A342 HydrophobicContact CG2-CB 4.45Å; I60-L346 HydrophobicContact CD1-CB 3.29Å; I60-L346 HydrophobicContact CD1-CD1 4.24Å; I60-L346 HydrophobicContact CD1-CG 4.42Å; I60-L346 HydrophobicContact CG1-CB 4.44Å; I60-F347 HydrophobicContact CB-CD1 4.09Å; I60-F347 HydrophobicContact CB-CE1 3.71Å; I60-F347 HydrophobicContact CB-CZ 4.34Å; I60-F347 HydrophobicContact CD1-CD1 3.68Å; I60-F347 HydrophobicContact CD1-CD2 3.98Å; I60-F347 HydrophobicContact CD1-CE1 3.68Å; I60-F347 HydrophobicContact CD1-CE2 3.94Å; I60-F347 HydrophobicContact CD1-CG 3.86Å; I60-F347 HydrophobicContact CD1-CZ 3.81Å; I60-F347 HydrophobicContact CG1-CD1 4.11Å; I60-F347 HydrophobicContact CG1-CE1 4.13Å; I60-F347 HydrophobicContact CG2-CE1 4.17Å; I60-F347 HydrophobicContact CG2-CZ 4.37Å
61	R	48.6	Very low	37.9	Very low	103 Å²	103	75.8 Å²	75.8	39%	0.389	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-10.4	176.4	-52.6	-160.8	-52.2	171.9	6.6	113.7	D59 N63 F335 D350	D59-R61 PolarHBondContact O-N 3.41Å; D59-R61 WeakPolarHBondContact OD1-CB 3.04Å; D59-R61 PolarHBondContact OD1-N 3.16Å; R61-N63 PolarHBondContact O-N 2.91Å; R61-N63 VanDerWaalsContact O-N 3.13Å; R61-F335 HydrophobicContact CG-CB 4.27Å; R61-F335 HydrophobicContact CG-CD1 4.38Å; R61-F335 HydrophobicContact CG-CG 4.14Å; R61-F335 VanDerWaalsContact CZ-CD2 3.4Å; R61-D350 IonicContact NH1-OD1 3.43Å
62	N	47.4	Very low	37.9	Very low	49 Å²	49	73.4 Å²	73.4	26%	0.262	38%	0.384	S	S	.	.			trans	-66.7	114.1	177.1	-177.8	-19.4	0	0	0	110.8	D59 E64 L65	D59-N62 PolarHBondContact O-N 2.94Å; N62-E64 VanDerWaalsContact C-N 3.35Å; N62-E64 PolarHBondContact O-N 3.3Å; N62-E64 WeakPolarHBondContact OD1-CB 3.47Å; N62-E64 PolarHBondContact OD1-N 3.31Å; N62-L65 HydrophobicContact CB-CD1 4.3Å
63	N	42.9	Very low	38	Very low	116 Å²	116	72.5 Å²	72.5	62%	0.62	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-70.8	-21.7	-175.7	-70.2	-31.5	0	0	0	114.4	R61 L65 Q66	R61-N63 PolarHBondContact O-N 2.91Å; R61-N63 VanDerWaalsContact O-N 3.13Å; N63-L65 PolarHBondContact O-N 3Å; N63-L65 VanDerWaalsContact O-N 3.17Å; N63-Q66 WeakPolarHBondContact O-CB 3.41Å; N63-Q66 VanDerWaalsContact O-CG 3.25Å; N63-Q66 WeakPolarHBondContact O-CG 3.25Å; N63-Q66 PolarHBondContact O-N 3.43Å; N63-Q66 PolarHBondContact OD1-NE2 3.05Å
64	E	39.9	Very low	37.5	Very low	168 Å²	168	72 Å²	72	79%	0.785	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-65.5	-19.5	179.6	-60.9	-174.4	143.8	0	0	112.9	N62	N62-E64 VanDerWaalsContact C-N 3.35Å; N62-E64 PolarHBondContact O-N 3.3Å; N62-E64 WeakPolarHBondContact OD1-CB 3.47Å; N62-E64 PolarHBondContact OD1-N 3.31Å
65	L	41.9	Very low	37.5	Very low	37 Å²	37	70.4 Å²	70.4	19%	0.194	41%	0.413	C	S	.	.	G	3₁₀ helix	trans	-95.6	8.3	-173.7	-71.3	168.3	0	0	0	114.4	V58 N62 N63 N67 Y70	V58-L65 HydrophobicContact CG1-CD1 4.26Å; N62-L65 HydrophobicContact CB-CD1 4.3Å; N63-L65 PolarHBondContact O-N 3Å; N63-L65 VanDerWaalsContact O-N 3.17Å; L65-N67 VanDerWaalsContact C-N 3.31Å; L65-N67 PolarHBondContact O-N 3.45Å; L65-Y70 PolarHBondContact O-OH 2.98Å
66	Q	39.4	Very low	37.2	Very low	66 Å²	66	71.8 Å²	71.8	31%	0.308	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-25.6	-172.3	-84.6	-176	5.8	0	0	114.7	N63 H382	N63-Q66 WeakPolarHBondContact O-CB 3.41Å; N63-Q66 VanDerWaalsContact O-CG 3.25Å; N63-Q66 WeakPolarHBondContact O-CG 3.25Å; N63-Q66 PolarHBondContact O-N 3.43Å; N63-Q66 PolarHBondContact OD1-NE2 3.05Å; Q66-H382 VanDerWaalsContact CB-NE2 3.27Å; Q66-H382 WeakPolarHBondContact CB-NE2 3.23Å; Q66-H382 VanDerWaalsContact CD-NE2 3.31Å; Q66-H382 VanDerWaalsContact CG-NE2 3.34Å; Q66-H382 WeakPolarHBondContact CG-NE2 3.39Å; Q66-H382 PolarHBondContact O-CD2 2.87Å; Q66-H382 VanDerWaalsContact O-CD2 3.28Å; Q66-H382 PolarHBondContact OE1-CE1 2.92Å; Q66-H382 VanDerWaalsContact OE1-CE1 3.28Å; Q66-H382 PolarHBondContact OE1-NE2 3.22Å
67	N	39.6	Very low	36.6	Very low	151 Å²	151	77.5 Å²	77.5	81%	0.807	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	-8.3	-171.1	-74.4	-24.8	0	0	0	116.1	L65	L65-N67 VanDerWaalsContact C-N 3.31Å; L65-N67 PolarHBondContact O-N 3.45Å
68	N	34	Very low	36.1	Very low	57 Å²	57	82.1 Å²	82.1	31%	0.305	49%	0.487	S	S	.	.			trans	-88.1	151.3	-171.5	-74.8	26.5	0	0	0	114.1	E54 Y70	E54-N68 PolarHBondContact OE1-ND2 3.21Å; E54-N68 WeakPolarHBondContact OE2-CB 3.31Å; E54-N68 PolarHBondContact OE2-ND2 2.65Å; N68-Y70 HydrophobicContact CB-CE2 4.25Å; N68-Y70 VanDerWaalsContact O-CD2 3.23Å; N68-Y70 WeakPolarHBondContact O-CD2 3.39Å; N68-Y70 WeakPolarHBondContact O-CE2 3.44Å
69	S	32.6	Very low	35.5	Very low	69 Å²	69	89.2 Å²	89.2	48%	0.483	51%	0.514	S	S	.	.	B	Isolated β-bridge	trans	-96.8	103.7	-175.7	-176.7	0	0	0	0	110.9	D379	S69-D379 CarbonylContact C-O 3.6Å; S69-D379 WeakPolarHBondContact CA-O 3.41Å
70	Y	37.7	Very low	34.6	Very low	44 Å²	44	90.5 Å²	90.5	17%	0.173	53%	0.525	C	S	.	.			trans	-85.5	-13	-167.6	-72.9	-87.7	0	0	0	114.9	Y55 V58 L65 N68 D379 L381	Y55-Y70 WeakPolarHBondContact O-CE1 3.34Å; V58-Y70 HydrophobicContact CG1-CE1 4.49Å; L65-Y70 PolarHBondContact O-OH 2.98Å; N68-Y70 HydrophobicContact CB-CE2 4.25Å; N68-Y70 VanDerWaalsContact O-CD2 3.23Å; N68-Y70 WeakPolarHBondContact O-CD2 3.39Å; N68-Y70 WeakPolarHBondContact O-CE2 3.44Å; Y70-D379 PolarHBondContact N-O 3.22Å; Y70-L381 HydrophobicContact CD2-CB 4.46Å; Y70-L381 HydrophobicContact CE2-CB 4.04Å
71	L	32.4	Very low	33.7	Very low	75 Å²	75	91.7 Å²	91.7	39%	0.393	54%	0.535	S	S	.	.	S	Bend	trans	-122.2	3.4	-165.6	-64.8	-172.9	0	0	0	116.4	K377 A378	L71-K377 HydrophobicContact CD1-CG 3.6Å; L71-A378 WeakPolarHBondContact CD1-O 3.45Å
72	A	27.8	Very low	32.7	Very low	75 Å²	75	88.8 Å²	88.8	62%	0.62	53%	0.527	S	S	*	.			trans	-108.9	85.9	-177.7	0	0	0	0	0	112.8
73	A	27	Very low	31.9	Very low	94 Å²	94	86.5 Å²	86.5	78%	0.777	52%	0.515	S	S	*	.			trans	-116	92.2	166	0	0	0	0	0	110.5	G75	A73-G75 PolarHBondContact O-N 3.42Å
74	P	23.6	Very low	31.4	Very low	127 Å²	127	82.4 Å²	82.4	83%	0.825	49%	0.492	S	S	*	.	S	Bend	trans	-67.4	128.7	171.2	-15.2	30.3	0	0	0	110.3
75	G	27.3	Very low	31.1	Very low	86 Å²	86	74.4 Å²	74.4	89%	0.887	46%	0.455	S	S	*	.	S	Bend	trans	77.7	75.4	174.8	0	0	0	0	0	115.1	A73	A73-G75 PolarHBondContact O-N 3.42Å
76	G	24.5	Very low	30.7	Very low	74 Å²	74	73 Å²	73	76%	0.763	45%	0.448	S	S	*	.			trans	-131.5	107.8	-178.9	0	0	0	0	0	114.9
77	Q	23.6	Very low	30.4	Very low	191 Å²	191	70.3 Å²	70.3	89%	0.893	44%	0.437	S	S	*	.			trans	-73.5	143.1	161.5	-84.8	-173.6	-13.4	0	0	111.5
78	L	25.8	Very low	30.1	Very low	98 Å²	98	64.4 Å²	64.4	51%	0.513	41%	0.406	S	S	.	.			trans	-53	135.8	-169.6	-59.6	158	0	0	0	114.6	R269	L78-R269 HydrophobicContact CD1-CG 4.37Å
79	R	32.1	Very low	30.2	Very low	148 Å²	148	63.4 Å²	63.4	56%	0.558	40%	0.4	S	S	*	.			trans	-147.5	148.4	165.7	-60.1	-170.3	-168.8	-128.9	6.8	111.1	Y48	Y48-R79 PolarHBondContact OH-NE 3.04Å; Y48-R79 PolarHBondContact OH-NH1 3.41Å
80	P	28.6	Very low	30.4	Very low	64 Å²	64	61.6 Å²	61.6	42%	0.416	38%	0.383	S	S	.	.			trans	-61.8	164.8	178.7	-28.5	39.4	0	0	0	115.9	E262	P80-E262 VanDerWaalsContact CA-OE1 3.24Å; P80-E262 WeakPolarHBondContact CA-OE1 3.37Å; P80-E262 VanDerWaalsContact CB-OE1 3.29Å; P80-E262 WeakPolarHBondContact CB-OE1 3.42Å
81	A	30.1	Very low	30.4	Very low	33 Å²	33	61.6 Å²	61.6	27%	0.273	38%	0.383	S	S	.	.			trans	-63.3	150.4	-177.5	0	0	0	0	0	114.7	E262 E305	A81-E262 PolarHBondContact N-OE1 3.09Å; A81-E305 HydrophobicContact CB-CB 3.93Å; A81-E305 HydrophobicContact CB-CG 4.03Å
82	I	28.8	Very low	30.7	Very low	42 Å²	42	58.8 Å²	58.8	22%	0.215	37%	0.37	C	S	.	.			trans	-116.4	-8.9	-175.3	-66	-157.8	0	0	0	112.8	E84 R187	I82-E84 VanDerWaalsContact C-N 3.35Å; I82-E84 PolarHBondContact O-N 3.27Å; I82-R187 WeakPolarHBondContact CD1-O 3.41Å; I82-R187 WeakPolarHBondContact CG1-O 3.24Å
83	S	30.1	Very low	31.2	Very low	2 Å²	2	60.7 Å²	60.7	1%	0.014	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-22.2	-168.5	53.1	0	0	0	0	116.5	V85 E86 K303	S83-V85 PolarHBondContact O-N 2.86Å; S83-E86 PolarHBondContact O-N 2.89Å; S83-E86 VanDerWaalsContact O-N 3.15Å; S83-K303 PolarHBondContact OG-NZ 2.63Å
84	E	32.1	Very low	31.8	Very low	29 Å²	29	59 Å²	59	14%	0.136	34%	0.341	C	S	.	.	H	α-helix	trans	-48.6	-35.7	179.4	-67.8	-166	147.4	0	0	113.4	I82 S191 K208 D319	I82-E84 VanDerWaalsContact C-N 3.35Å; I82-E84 PolarHBondContact O-N 3.27Å; E84-S191 PolarHBondContact OE2-OG 3.28Å; E84-K208 WeakPolarHBondContact OE1-CD 3.5Å; E84-K208 WeakPolarHBondContact OE1-CE 3.43Å; E84-K208 IonicContact OE1-NZ 3.25Å; E84-K208 PolarHBondContact OE1-NZ 2.86Å; E84-K208 WeakPolarHBondContact OE2-CE 3.36Å; E84-K208 IonicContact OE2-NZ 3.32Å; E84-K208 PolarHBondContact OE2-NZ 3.28Å; E84-D319 WeakPolarHBondContact CG-OD2 3.35Å
85	V	34.2	Very low	32.5	Very low	0 Å²	0	54.5 Å²	54.5	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-81	-37.9	-170.9	175	0	0	0	0	111.9	S83 G87 L88 D89 N189 F190 S191	S83-V85 PolarHBondContact O-N 2.86Å; V85-G87 VanDerWaalsContact C-N 3.31Å; V85-G87 PolarHBondContact O-N 3.25Å; V85-L88 PolarHBondContact O-N 3.2Å; V85-L88 VanDerWaalsContact O-N 3.12Å; V85-D89 PolarHBondContact O-N 3.46Å; V85-N189 HydrophobicContact CG1-CB 3.56Å; V85-F190 HydrophobicContact CG1-CB 4.08Å; V85-F190 HydrophobicContact CG1-CD2 3.22Å; V85-F190 HydrophobicContact CG1-CE2 3.46Å; V85-F190 VanDerWaalsContact CG1-CE2 3.46Å; V85-F190 HydrophobicContact CG1-CG 4Å; V85-S191 VanDerWaalsContact CG2-OG 3.25Å; V85-S191 WeakPolarHBondContact CG2-OG 3.32Å
86	E	33.4	Very low	33	Very low	9 Å²	9	56.1 Å²	56.1	4%	0.042	30%	0.299	C	S	.	.	H	α-helix	trans	-68.7	-33.9	-167.9	-83.1	-179.8	-178.6	0	0	111.2	Y55 T56 G57 S83 D89 R90	Y55-E86 VanDerWaalsContact CA-OE1 3.29Å; Y55-E86 WeakPolarHBondContact CA-OE1 3.42Å; Y55-E86 WeakPolarHBondContact CD1-OE2 3.47Å; Y55-E86 HydrophobicContact CD2-CB 4.31Å; Y55-E86 HydrophobicContact CD2-CG 3.66Å; Y55-E86 HydrophobicContact CE1-CB 4.15Å; Y55-E86 HydrophobicContact CE1-CG 4.38Å; Y55-E86 WeakPolarHBondContact CE1-OE2 3.36Å; Y55-E86 HydrophobicContact CE2-CB 3.59Å; Y55-E86 HydrophobicContact CE2-CG 3.39Å; Y55-E86 HydrophobicContact CG-CG 4.29Å; Y55-E86 VanDerWaalsContact CZ-CB 3.44Å; Y55-E86 WeakPolarHBondContact OH-CB 3.47Å; Y55-E86 PolarHBondContact OH-O 2.91Å; T56-E86 PolarHBondContact N-OE2 3.46Å; G57-E86 PolarHBondContact N-OE2 3.02Å; G57-E86 VanDerWaalsContact N-OE2 3.09Å; S83-E86 PolarHBondContact O-N 2.89Å; S83-E86 VanDerWaalsContact O-N 3.15Å; E86-D89 PolarHBondContact O-N 2.67Å; E86-R90 PolarHBondContact O-N 3.3Å
87	G	33.1	Very low	33.5	Very low	9 Å²	9	57.4 Å²	57.4	9%	0.093	29%	0.285	C	S	.	.	H	α-helix	trans	-62.5	-42.4	169	0	0	0	0	0	114.2	V85 Y91 F322	V85-G87 VanDerWaalsContact C-N 3.31Å; V85-G87 PolarHBondContact O-N 3.25Å; G87-Y91 WeakPolarHBondContact O-CB 3.49Å; G87-Y91 PolarHBondContact O-N 3.39Å; G87-F322 VanDerWaalsContact CA-CZ 3.47Å
88	L	33	Very low	34.3	Very low	27 Å²	27	53.9 Å²	53.9	14%	0.141	27%	0.269	C	S	.	.	H	α-helix	trans	-73.3	-33.9	178	-74	163.7	0	0	0	112.1	V85 A92 I210 F215 T219	V85-L88 PolarHBondContact O-N 3.2Å; V85-L88 VanDerWaalsContact O-N 3.12Å; L88-A92 WeakPolarHBondContact O-CB 3.34Å; L88-A92 PolarHBondContact O-N 2.86Å; L88-I210 HydrophobicContact CD1-CG2 4.38Å; L88-F215 HydrophobicContact CB-CE1 4.21Å; L88-F215 HydrophobicContact CD1-CZ 4.13Å; L88-F215 HydrophobicContact CD2-CE1 4.02Å; L88-F215 HydrophobicContact CD2-CZ 4.08Å; L88-F215 HydrophobicContact CG-CE1 4.5Å; L88-T219 HydrophobicContact CD2-CG2 4.46Å
89	D	36.1	Very low	34.9	Very low	35 Å²	35	58.9 Å²	58.9	19%	0.187	28%	0.281	C	S	.	.	H	α-helix	trans	-66.6	-40	173.3	-140.1	11.6	0	0	0	111.3	V85 E86 K93 F190 K214	V85-D89 PolarHBondContact O-N 3.46Å; E86-D89 PolarHBondContact O-N 2.67Å; D89-K93 WeakPolarHBondContact O-CB 3.47Å; D89-K93 PolarHBondContact O-N 2.95Å; D89-F190 HydrophobicContact CB-CD2 4.21Å; D89-F190 HydrophobicContact CB-CE2 3.5Å; D89-F190 HydrophobicContact CB-CZ 4.34Å; D89-F190 WeakPolarHBondContact OD1-CE2 3.44Å; D89-F190 WeakPolarHBondContact OD1-CZ 3.4Å; D89-F190 WeakPolarHBondContact OD2-CE2 3.5Å; D89-F190 VanDerWaalsContact OD2-CZ 3.28Å; D89-F190 WeakPolarHBondContact OD2-CZ 3.39Å; D89-K214 IonicContact OD1-NZ 2.78Å; D89-K214 PolarHBondContact OD1-NZ 3.4Å
90	R	37	Very low	35.1	Very low	31 Å²	31	56 Å²	56	12%	0.117	28%	0.284	C	S	.	.	H	α-helix	trans	-71.2	-38.4	174.1	-75.5	-159.4	-163.3	-158.5	7.7	113.2	Y55 D59 E86 A92 K93 Q94	Y55-R90 VanDerWaalsContact CZ-NE 3.28Å; Y55-R90 WeakPolarHBondContact OH-CD 3.08Å; Y55-R90 PolarHBondContact OH-NE 3.48Å; Y55-R90 PolarHBondContact OH-NH2 3.3Å; D59-R90 PolarHBondContact O-NH1 3.2Å; E86-R90 PolarHBondContact O-N 3.3Å; R90-A92 VanDerWaalsContact C-N 3.29Å; R90-A92 PolarHBondContact O-N 2.88Å; R90-K93 PolarHBondContact O-N 3.33Å; R90-Q94 VanDerWaalsContact O-CB 3.22Å; R90-Q94 WeakPolarHBondContact O-CB 3.23Å; R90-Q94 PolarHBondContact O-N 3.37Å
91	Y	38	Very low	35.2	Very low	45 Å²	45	61.3 Å²	61.3	18%	0.176	30%	0.303	C	S	.	.	H	α-helix	trans	-60.9	-43.4	173.3	-167.7	-106.3	0	0	0	111	G87 Q94 C95 K218 T219	G87-Y91 WeakPolarHBondContact O-CB 3.49Å; G87-Y91 PolarHBondContact O-N 3.39Å; Y91-Q94 PolarHBondContact O-N 3.43Å; Y91-C95 WeakPolarHBondContact O-CB 3.47Å; Y91-C95 PolarHBondContact O-N 3Å; Y91-C95 PolarHBondContact O-SG 3.29Å; Y91-C95 VanDerWaalsContact O-SG 3.32Å; Y91-K218 WeakPolarHBondContact OH-CD 3.27Å; Y91-K218 VanDerWaalsContact OH-CE 3.26Å; Y91-K218 WeakPolarHBondContact OH-CE 3.3Å; Y91-T219 VanDerWaalsContact CD1-OG1 3.31Å; Y91-T219 WeakPolarHBondContact CD1-OG1 3.49Å; Y91-T219 VanDerWaalsContact CE1-OG1 3.22Å; Y91-T219 WeakPolarHBondContact CE1-OG1 3.41Å
92	A	37.7	Very low	35.3	Very low	15 Å²	15	65 Å²	65	12%	0.124	32%	0.322	C	S	.	.	H	α-helix	trans	-62.5	-44.2	174.1	0	0	0	0	0	112.6	L88 R90 L96	L88-A92 WeakPolarHBondContact O-CB 3.34Å; L88-A92 PolarHBondContact O-N 2.86Å; R90-A92 VanDerWaalsContact C-N 3.29Å; R90-A92 PolarHBondContact O-N 2.88Å; A92-L96 WeakPolarHBondContact O-CD1 3.22Å; A92-L96 VanDerWaalsContact O-CG 3.27Å; A92-L96 WeakPolarHBondContact O-CG 3.44Å; A92-L96 PolarHBondContact O-N 3.2Å
93	K	38.7	Very low	35.4	Very low	116 Å²	116	68.3 Å²	68.3	50%	0.504	35%	0.346	S	S	.	.	H	α-helix	trans	-63.8	-47.2	174.7	-91.8	-167.2	163	-151.8	0	113	D89 R90 C95 L96 E97	D89-K93 WeakPolarHBondContact O-CB 3.47Å; D89-K93 PolarHBondContact O-N 2.95Å; R90-K93 PolarHBondContact O-N 3.33Å; K93-C95 VanDerWaalsContact C-N 3.32Å; K93-C95 PolarHBondContact O-N 2.56Å; K93-L96 CarbonylContact O-C 3.45Å; K93-L96 WeakPolarHBondContact O-CA 3.32Å; K93-L96 WeakPolarHBondContact O-CB 3.26Å; K93-L96 PolarHBondContact O-N 3.43Å; K93-E97 WeakPolarHBondContact O-CG 3.38Å; K93-E97 PolarHBondContact O-N 3.17Å
94	Q	39.3	Very low	35.4	Very low	59 Å²	59	74.1 Å²	74.1	28%	0.276	38%	0.384	S	S	.	.	H	α-helix	trans	-62.6	-39.6	-178.7	-172.3	177.5	-5.4	0	0	111	R90 Y91 L96 E97 E98	R90-Q94 VanDerWaalsContact O-CB 3.22Å; R90-Q94 WeakPolarHBondContact O-CB 3.23Å; R90-Q94 PolarHBondContact O-N 3.37Å; Y91-Q94 PolarHBondContact O-N 3.43Å; Q94-L96 PolarHBondContact O-N 2.86Å; Q94-E97 PolarHBondContact O-N 3.49Å; Q94-E98 HydrophobicContact CG-CG 4.24Å; Q94-E98 WeakPolarHBondContact CG-OE1 3.22Å; Q94-E98 PolarHBondContact NE2-OE1 2.83Å; Q94-E98 VanDerWaalsContact O-CB 3.3Å; Q94-E98 WeakPolarHBondContact O-CB 3.47Å; Q94-E98 WeakPolarHBondContact O-CG 3.33Å; Q94-E98 PolarHBondContact O-N 3.32Å
95	C	38.7	Very low	35.1	Very low	32 Å²	32	81.1 Å²	81.1	22%	0.216	42%	0.417	C	S	.	.	H	α-helix	trans	-67.1	-14.2	171.4	-69.8	0	0	0	0	114.5	Y91 K93	Y91-C95 WeakPolarHBondContact O-CB 3.47Å; Y91-C95 PolarHBondContact O-N 3Å; Y91-C95 PolarHBondContact O-SG 3.29Å; Y91-C95 VanDerWaalsContact O-SG 3.32Å; K93-C95 VanDerWaalsContact C-N 3.32Å; K93-C95 PolarHBondContact O-N 2.56Å
96	L	38.1	Very low	34.9	Very low	120 Å²	120	90.8 Å²	90.8	63%	0.628	46%	0.459	S	S	*	.	H	α-helix	trans	-94	-35.5	171.3	-66.2	165.5	0	0	0	111.8	A92 K93 Q94 R99	A92-L96 WeakPolarHBondContact O-CD1 3.22Å; A92-L96 VanDerWaalsContact O-CG 3.27Å; A92-L96 WeakPolarHBondContact O-CG 3.44Å; A92-L96 PolarHBondContact O-N 3.2Å; K93-L96 CarbonylContact O-C 3.45Å; K93-L96 WeakPolarHBondContact O-CA 3.32Å; K93-L96 WeakPolarHBondContact O-CB 3.26Å; K93-L96 PolarHBondContact O-N 3.43Å; Q94-L96 PolarHBondContact O-N 2.86Å; L96-R99 WeakPolarHBondContact O-CB 3.19Å; L96-R99 PolarHBondContact O-N 3.27Å
97	E	35.6	Very low	34.5	Very low	101 Å²	101	98 Å²	98	47%	0.472	50%	0.498	S	S	.	.	H	α-helix	trans	-76.8	-40.3	-179.1	-72.4	161.3	-165.1	0	0	111.6	K93 Q94 R99 S100	K93-E97 WeakPolarHBondContact O-CG 3.38Å; K93-E97 PolarHBondContact O-N 3.17Å; Q94-E97 PolarHBondContact O-N 3.49Å; E97-R99 PolarHBondContact O-N 3.22Å; E97-S100 WeakPolarHBondContact O-CB 3.33Å; E97-S100 PolarHBondContact O-N 2.7Å; E97-S100 PolarHBondContact O-OG 3.1Å
98	E	39	Very low	34.2	Very low	117 Å²	117	100.5 Å²	100.5	55%	0.547	52%	0.523	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-13.9	167.3	-74.8	175.3	-171.8	0	0	112.7	Q94	Q94-E98 HydrophobicContact CG-CG 4.24Å; Q94-E98 WeakPolarHBondContact CG-OE1 3.22Å; Q94-E98 PolarHBondContact NE2-OE1 2.83Å; Q94-E98 VanDerWaalsContact O-CB 3.3Å; Q94-E98 WeakPolarHBondContact O-CB 3.47Å; Q94-E98 WeakPolarHBondContact O-CG 3.33Å; Q94-E98 PolarHBondContact O-N 3.32Å
99	R	39.4	Very low	33.9	Very low	203 Å²	203	108.4 Å²	108.4	77%	0.766	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.4	-12.1	175.4	-145.5	179.5	-171.1	-157.7	1.1	113.7	L96 E97	L96-R99 WeakPolarHBondContact O-CB 3.19Å; L96-R99 PolarHBondContact O-N 3.27Å; E97-R99 PolarHBondContact O-N 3.22Å
100	S	35.7	Very low	33.1	Very low	88 Å²	88	115.3 Å²	115.3	62%	0.615	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.8	-21.2	176.8	68.1	0	0	0	0	113	E97 T102	E97-S100 WeakPolarHBondContact O-CB 3.33Å; E97-S100 PolarHBondContact O-N 2.7Å; E97-S100 PolarHBondContact O-OG 3.1Å; S100-T102 PolarHBondContact O-N 3.42Å
101	E	31.4	Very low	32.5	Very low	174 Å²	174	121.8 Å²	121.8	81%	0.813	63%	0.629	S	S	*	*			trans	-81.5	50.4	169.8	-64.7	-166.2	168	0	0	112.7
102	T	32.7	Very low	31.7	Very low	112 Å²	112	122.8 Å²	122.8	69%	0.687	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-72.9	119.2	153.1	48.6	0	0	0	0	107.5	S100	S100-T102 PolarHBondContact O-N 3.42Å
103	P	30.8	Very low	31.2	Very low	111 Å²	111	131.2 Å²	131.2	72%	0.721	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-62.5	147.2	-174	25.4	-34.3	0	0	0	111.1	E105	P103-E105 PolarHBondContact O-N 2.8Å
104	P	28.9	Very low	30.3	Very low	123 Å²	123	131.3 Å²	131.3	80%	0.799	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-62.5	130.3	-168.6	24	-34.1	0	0	0	112	K106	P104-K106 PolarHBondContact O-N 3.5Å; P104-K106 VanDerWaalsContact O-N 3.07Å
105	E	27	Very low	29.6	Very low	177 Å²	177	135.2 Å²	135.2	83%	0.827	73%	0.733	S	S	*	*			trans	-57.7	112	176.6	-68.1	-175.7	141	0	0	110.5	P103 N107	P103-E105 PolarHBondContact O-N 2.8Å; E105-N107 VanDerWaalsContact C-N 3.32Å; E105-N107 PolarHBondContact O-N 2.83Å
106	K	29.6	Very low	28.7	Very low	203 Å²	203	143.3 Å²	143.3	88%	0.883	76%	0.764	S	S	*	*			trans	-73.4	89.5	168.5	-76.5	-172.4	175.9	-179.1	0	109.5	P104 G108	P104-K106 PolarHBondContact O-N 3.5Å; P104-K106 VanDerWaalsContact O-N 3.07Å; K106-G108 PolarHBondContact O-N 2.87Å
107	N	24.6	Very low	28	Very low	161 Å²	161	142.7 Å²	142.7	86%	0.861	77%	0.77	S	S	*	*			trans	-52.3	107.6	159.1	-81.6	-39.4	0	0	0	109	E105	E105-N107 VanDerWaalsContact C-N 3.32Å; E105-N107 PolarHBondContact O-N 2.83Å
108	G	26.4	Very low	27.3	Very low	60 Å²	60	145.3 Å²	145.3	62%	0.619	79%	0.787	S	S	*	*			trans	-163.4	39.7	-156.9	0	0	0	0	0	117	K106	K106-G108 PolarHBondContact O-N 2.87Å
109	H	27.1	Very low	26.5	Very low	193 Å²	193	143.6 Å²	143.6	89%	0.894	79%	0.793	S	S	*	*			trans	67.2	134.7	162.3	-80.1	61.3	0	0	0	119.7
110	M	20.1	Very low	25.9	Very low	180 Å²	180	142 Å²	142	89%	0.887	80%	0.8	S	S	*	*			trans	-65	139.9	165	-58.9	-178.9	-174	0	0	110.6
111	N	24.4	Very low	25.3	Very low	167 Å²	167	145.7 Å²	145.7	89%	0.893	81%	0.807	S	S	*	*			trans	-150.1	126	130.4	-100	-30.3	0	0	0	108
112	G	21.3	Very low	25.2	Very low	66 Å²	66	144 Å²	144	68%	0.68	81%	0.808	S	S	*	*			trans	-82.1	144.2	178.4	0	0	0	0	0	111.1
113	H	26.4	Very low	24.6	Very low	192 Å²	192	142.4 Å²	142.4	89%	0.889	80%	0.802	S	S	*	*			trans	-146	124.7	137.3	-112.3	-66.8	0	0	0	110.4
114	S	19.8	Very low	24.2	Very low	119 Å²	119	142.8 Å²	142.8	83%	0.832	80%	0.802	S	S	*	*			trans	-83.9	121.7	177.8	-48.9	0	0	0	0	110
115	T	24.6	Very low	24	Very low	141 Å²	141	146 Å²	146	87%	0.865	81%	0.806	S	S	*	*			trans	-130.6	127.8	156.5	40.5	0	0	0	0	109.9
116	K	19.9	Very low	23.7	Very low	201 Å²	201	141.8 Å²	141.8	87%	0.874	80%	0.797	S	S	*	*			trans	-79.4	-178.1	164.6	-69.8	174.8	172.9	176.9	0	108.9
117	S	22.6	Very low	23.4	Very low	108 Å²	108	142.7 Å²	142.7	76%	0.755	80%	0.801	S	S	*	*			trans	75.1	140.4	177.7	74.6	0	0	0	0	115.1
118	D	22.2	Very low	23.2	Very low	155 Å²	155	139.6 Å²	139.6	83%	0.829	79%	0.792	S	S	*	*			cis	-147.5	171.6	-5.8	-116.8	-27.3	0	0	0	113.3
119	A	22.5	Very low	23.1	Very low	81 Å²	81	141.9 Å²	141.9	67%	0.669	80%	0.799	S	S	*	*			trans	-52.6	145.5	174.8	0	0	0	0	0	113.2
120	N	26.8	Very low	23	Very low	169 Å²	169	143.1 Å²	143.1	90%	0.904	80%	0.802	S	S	*	*			trans	-136	124.3	144.4	-111.3	-38.1	0	0	0	110.6
121	H	22.6	Very low	23.3	Very low	166 Å²	166	143.5 Å²	143.5	77%	0.769	80%	0.798	S	S	*	*			trans	-119.2	109	-166.3	-166.3	-75.8	0	0	0	107.1
122	V	28	Very low	23.1	Very low	138 Å²	138	145.4 Å²	145.4	84%	0.836	80%	0.799	S	S	*	*			trans	-121.9	92.3	177	-179.7	0	0	0	0	109.3
123	S	20.9	Very low	23.4	Very low	79 Å²	79	150.8 Å²	150.8	55%	0.552	81%	0.806	S	S	*	*			trans	-55.1	155.2	145.9	46.6	0	0	0	0	109.3
124	T	21.7	Very low	23.3	Very low	119 Å²	119	146.3 Å²	146.3	73%	0.73	80%	0.796	S	S	*	*			cis	-161.5	161.9	33.4	-20.2	0	0	0	0	105.5
125	E	25.3	Very low	23.4	Very low	190 Å²	190	146.4 Å²	146.4	89%	0.888	79%	0.792	S	S	*	*				-167.4	144.7	82.5	-88.4	-175.3	164.5	0	0	112.8
126	S	21.1	Very low	23.4	Very low	89 Å²	89	147.9 Å²	147.9	62%	0.622	79%	0.793	S	S	*	*			trans	-50.3	137.7	175.3	-51.9	0	0	0	0	116.7
127	F	24	Very low	23.4	Very low	222 Å²	222	146.6 Å²	146.6	97%	0.974	79%	0.788	S	S	*	*			trans	-135.5	81.8	134	-108.4	-80.4	0	0	0	110.2
128	S	20.5	Very low	23.3	Very low	96 Å²	96	148.4 Å²	148.4	67%	0.671	79%	0.789	S	S	*	*			trans	-93.1	122.8	169.6	52.1	0	0	0	0	109.8
129	S	23.1	Very low	23.5	Very low	108 Å²	108	148 Å²	148	76%	0.755	79%	0.786	S	S	*	*			trans	158.4	102.2	138.3	-76.8	0	0	0	0	112.1
130	F	26.1	Very low	23.6	Very low	219 Å²	219	153.6 Å²	153.6	96%	0.961	80%	0.799	S	S	*	*			trans	-142.2	141	130.6	-106.7	-77.8	0	0	0	109.2
131	K	25.5	Very low	23.5	Very low	188 Å²	188	154.3 Å²	154.3	82%	0.817	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-76.1	141.9	-154.8	-71.4	173	175.5	173.4	0	113.4	H133	K131-H133 PolarHBondContact O-N 2.87Å
132	K	20.2	Very low	23.6	Very low	207 Å²	207	153.3 Å²	153.3	90%	0.9	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-56.2	123.8	154.8	-68.3	172.3	176.3	174	0	108.7
133	H	27.3	Very low	23.7	Very low	180 Å²	180	153.7 Å²	153.7	83%	0.833	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-100.1	149.2	151.4	-110	-80	0	0	0	109.9	K131	K131-H133 PolarHBondContact O-N 2.87Å
134	S	24	Very low	24.1	Very low	98 Å²	98	157.5 Å²	157.5	69%	0.685	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-76.3	151.9	-159.4	46.2	0	0	0	0	115	L136	S134-L136 PolarHBondContact O-N 3.49Å
135	V	21.9	Very low	24.7	Very low	121 Å²	121	161 Å²	161	73%	0.733	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-49.8	124	164.1	175.5	0	0	0	0	110.9	K137	V135-K137 HydrophobicContact CG1-CG 4.07Å
136	L	24.7	Very low	25.2	Very low	172 Å²	172	160.7 Å²	160.7	90%	0.901	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-104	121.2	153	-81.3	167.1	0	0	0	108.1	S134	S134-L136 PolarHBondContact O-N 3.49Å
137	K	20.1	Very low	26.2	Very low	173 Å²	173	162.2 Å²	162.2	75%	0.752	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-87	149.3	170.9	-81.8	179.1	171	179.1	0	109.4	V135	V135-K137 HydrophobicContact CG1-CG 4.07Å
138	N	21.2	Very low	27.8	Very low	146 Å²	146	159.7 Å²	159.7	78%	0.781	81%	0.806	S	S	*	*			trans	65.9	121.1	169.7	-52.7	-8.5	0	0	0	113.2
139	D	26.2	Very low	30.8	Very low	146 Å²	146	162.5 Å²	162.5	78%	0.781	81%	0.812	S	S	*	*				-143.5	129.2	63.6	-90.2	-40.8	0	0	0	114.9	K141	D139-K141 VanDerWaalsContact C-N 3.34Å; D139-K141 PolarHBondContact O-N 3.11Å
140	Q	24.8	Very low	33.6	Very low	200 Å²	200	160.3 Å²	160.3	94%	0.935	79%	0.792	S	S	*	*			trans	-83.8	69.6	166.5	-72.6	-175.3	-20.9	0	0	111.1
141	K	24.8	Very low	36.5	Very low	184 Å²	184	151.9 Å²	151.9	80%	0.8	76%	0.758	S	S	*	*			trans	-138.6	121	169	-71.4	-172.3	179.7	170.8	0	112.4	D139	D139-K141 VanDerWaalsContact C-N 3.34Å; D139-K141 PolarHBondContact O-N 3.11Å
142	N	24.1	Very low	39.4	Very low	145 Å²	145	146 Å²	146	78%	0.775	74%	0.738	S	S	*	*			trans	50.8	75.9	167	-73.6	-19.5	0	0	0	117.2	Q144	N142-Q144 PolarHBondContact O-N 2.94Å
143	V	30.4	Very low	42.7	Very low	146 Å²	146	136.7 Å²	136.7	89%	0.885	70%	0.697	S	S	*	*			trans	-68.8	78.1	139.5	-173.3	0	0	0	0	107.5	K145	V143-K145 PolarHBondContact O-N 3.48Å
144	Q	29.9	Very low	45.6	Very low	158 Å²	158	131.9 Å²	131.9	74%	0.738	68%	0.675	S	S	*	*			trans	-55	129.5	157.8	-83	-178.8	-15.5	0	0	106.4	N142 Q146	N142-Q144 PolarHBondContact O-N 2.94Å; Q144-Q146 VanDerWaalsContact C-N 3.31Å; Q144-Q146 PolarHBondContact O-N 2.92Å
145	K	34.4	Very low	48.7	Very low	193 Å²	193	132.1 Å²	132.1	84%	0.839	66%	0.664	S	S	*	*			trans	-59.6	97	176.8	-73.4	175.9	177.6	173.6	0	108.5	V143 T147	V143-K145 PolarHBondContact O-N 3.48Å; K145-T147 VanDerWaalsContact C-N 3.33Å; K145-T147 PolarHBondContact O-N 3.23Å; K145-T147 PolarHBondContact O-OG1 2.87Å
146	Q	34.7	Very low	51.9	Low	184 Å²	184	127.7 Å²	127.7	86%	0.86	64%	0.636	S	S	*	*			trans	-61.6	104.1	170.4	-161.3	127.9	25.5	0	0	105	Q144 E148	Q144-Q146 VanDerWaalsContact C-N 3.31Å; Q144-Q146 PolarHBondContact O-N 2.92Å; Q146-E148 VanDerWaalsContact C-N 3.29Å; Q146-E148 PolarHBondContact O-N 2.91Å
147	T	43.3	Very low	54.9	Low	121 Å²	121	120.7 Å²	120.7	74%	0.742	60%	0.601	S	S	*	*			trans	-75.6	93.1	-174.2	-55.7	0	0	0	0	105.6	K145 I149	K145-T147 VanDerWaalsContact C-N 3.33Å; K145-T147 PolarHBondContact O-N 3.23Å; K145-T147 PolarHBondContact O-OG1 2.87Å; T147-I149 PolarHBondContact O-N 3.32Å
148	E	57.6	Low	58.1	Low	169 Å²	169	116.3 Å²	116.3	79%	0.79	58%	0.584	S	S	*	*			trans	-49.2	117	-178.5	-73.4	-178.4	142.5	0	0	108.9	Q146 L150	Q146-E148 VanDerWaalsContact C-N 3.29Å; Q146-E148 PolarHBondContact O-N 2.91Å; E148-L150 VanDerWaalsContact C-N 3.3Å; E148-L150 PolarHBondContact O-N 3.03Å
149	I	82.4	Confident	61.2	Low	154 Å²	154	116.8 Å²	116.8	79%	0.79	58%	0.579	S	S	*	*			trans	-74.4	92.4	-175.3	-59.7	173.9	0	0	0	106.3	T147 T151	T147-I149 PolarHBondContact O-N 3.32Å; I149-T151 PolarHBondContact O-N 3.09Å
150	L	83.2	Confident	63.9	Low	62 Å²	62	111 Å²	111	33%	0.325	55%	0.547	S	S	.	.			trans	-46.7	135.4	-179.3	-66	172.2	0	0	0	111.1	E148 E154 K155	E148-L150 VanDerWaalsContact C-N 3.3Å; E148-L150 PolarHBondContact O-N 3.03Å; L150-E154 VanDerWaalsContact CA-OE2 3.22Å; L150-E154 WeakPolarHBondContact CA-OE2 3.18Å; L150-E154 HydrophobicContact CB-CB 4.08Å; L150-E154 HydrophobicContact CD2-CB 4.18Å; L150-E154 WeakPolarHBondContact CD2-OE2 3.24Å; L150-K155 HydrophobicContact CB-CG 3.97Å; L150-K155 WeakPolarHBondContact O-CE 3.47Å; L150-K155 PolarHBondContact O-NZ 3.49Å
151	T	86.2	Confident	66.6	Low	43 Å²	43	104.3 Å²	104.3	26%	0.264	52%	0.522	S	S	.	.			trans	-62.2	167.5	176.6	78.5	0	0	0	0	111.1	I149 F153 E154 K155 E468	I149-T151 PolarHBondContact O-N 3.09Å; T151-F153 VanDerWaalsContact C-N 3.27Å; T151-F153 PolarHBondContact O-N 2.85Å; T151-F153 PolarHBondContact OG1-N 3.35Å; T151-E154 HydrophobicContact CG2-CG 4.38Å; T151-E154 PolarHBondContact N-OE2 3.02Å; T151-E154 PolarHBondContact O-N 3.13Å; T151-E154 WeakPolarHBondContact OG1-CB 3.36Å; T151-E154 WeakPolarHBondContact OG1-CG 3.24Å; T151-E154 PolarHBondContact OG1-N 2.68Å; T151-K155 WeakPolarHBondContact O-CB 3.33Å; T151-K155 WeakPolarHBondContact O-CD 3.49Å; T151-K155 VanDerWaalsContact O-CG 3.25Å; T151-K155 WeakPolarHBondContact O-CG 3.46Å; T151-K155 PolarHBondContact O-N 3.03Å; T151-E468 WeakPolarHBondContact CB-OE1 3.43Å; T151-E468 HydrophobicContact CG2-CG 4.47Å; T151-E468 WeakPolarHBondContact CG2-OE1 3.36Å; T151-E468 PolarHBondContact OG1-OE1 2.84Å
152	V	87.2	Confident	69.5	Low	64 Å²	64	101.6 Å²	101.6	39%	0.388	51%	0.51	S	S	.	.	H	α-helix	trans	-64	-36.1	176.6	176.6	0	0	0	0	111	L156 W462 D463	V152-L156 PolarHBondContact O-N 3.06Å; V152-W462 VanDerWaalsContact CB-O 3.24Å; V152-W462 WeakPolarHBondContact CB-O 3.43Å; V152-W462 WeakPolarHBondContact CG1-O 3.34Å; V152-D463 HydrophobicContact CB-CB 4Å; V152-D463 HydrophobicContact CG1-CB 4.15Å; V152-D463 HydrophobicContact CG2-CB 3.91Å
153	F	89.2	Confident	72.5	Confident	11 Å²	11	97.4 Å²	97.4	5%	0.048	49%	0.487	C	S	.	.	H	α-helix	trans	-73	-35.3	174.5	-178.7	-104.5	0	0	0	113.2	T151 L156 C157 F178 L200 V464 K480 L481 I484	T151-F153 VanDerWaalsContact C-N 3.27Å; T151-F153 PolarHBondContact O-N 2.85Å; T151-F153 PolarHBondContact OG1-N 3.35Å; F153-L156 HydrophobicContact CD2-CD2 4.1Å; F153-L156 HydrophobicContact CE2-CD2 4.33Å; F153-L156 WeakPolarHBondContact O-CB 3.28Å; F153-L156 PolarHBondContact O-N 3.47Å; F153-C157 PolarHBondContact O-N 3.36Å; F153-C157 PolarHBondContact O-SG 3.2Å; F153-F178 HydrophobicContact CE2-CE2 4.42Å; F153-F178 HydrophobicContact CZ-CE2 4.07Å; F153-L200 HydrophobicContact CE2-CD1 4.35Å; F153-V464 HydrophobicContact CB-CG2 3.81Å; F153-V464 HydrophobicContact CG-CG2 4.32Å; F153-K480 HydrophobicContact CZ-CB 4.25Å; F153-L481 HydrophobicContact CD1-CB 4.26Å; F153-L481 HydrophobicContact CE1-CB 3.75Å; F153-L481 HydrophobicContact CE1-CD1 4.48Å; F153-L481 HydrophobicContact CE2-CD1 4.48Å; F153-L481 HydrophobicContact CZ-CB 4.15Å; F153-L481 HydrophobicContact CZ-CD1 4.44Å; F153-I484 HydrophobicContact CE2-CD1 3.42Å; F153-I484 VanDerWaalsContact CE2-CD1 3.42Å; F153-I484 HydrophobicContact CZ-CD1 3.52Å
154	E	88.4	Confident	75.2	Confident	80 Å²	80	93.6 Å²	93.6	37%	0.374	47%	0.471	S	S	.	.	H	α-helix	trans	-66.1	-41.5	171.8	-73.4	175.4	155.6	0	0	111.9	L150 T151 L156 C157 Q158	L150-E154 VanDerWaalsContact CA-OE2 3.22Å; L150-E154 WeakPolarHBondContact CA-OE2 3.18Å; L150-E154 HydrophobicContact CB-CB 4.08Å; L150-E154 HydrophobicContact CD2-CB 4.18Å; L150-E154 WeakPolarHBondContact CD2-OE2 3.24Å; T151-E154 HydrophobicContact CG2-CG 4.38Å; T151-E154 PolarHBondContact N-OE2 3.02Å; T151-E154 PolarHBondContact O-N 3.13Å; T151-E154 WeakPolarHBondContact OG1-CB 3.36Å; T151-E154 WeakPolarHBondContact OG1-CG 3.24Å; T151-E154 PolarHBondContact OG1-N 2.68Å; E154-L156 VanDerWaalsContact C-N 3.3Å; E154-L156 PolarHBondContact O-N 2.84Å; E154-C157 WeakPolarHBondContact O-CB 3.25Å; E154-C157 PolarHBondContact O-N 3Å; E154-Q158 WeakPolarHBondContact O-CB 3.49Å; E154-Q158 PolarHBondContact O-N 2.95Å
155	K	89.1	Confident	77.8	Confident	103 Å²	103	87.8 Å²	87.8	45%	0.448	45%	0.447	S	S	.	.	H	α-helix	trans	-59	-40.8	171.3	-74.1	161.3	177.4	142.8	0	111.2	L150 T151 Q158 K159	L150-K155 HydrophobicContact CB-CG 3.97Å; L150-K155 WeakPolarHBondContact O-CE 3.47Å; L150-K155 PolarHBondContact O-NZ 3.49Å; T151-K155 WeakPolarHBondContact O-CB 3.33Å; T151-K155 WeakPolarHBondContact O-CD 3.49Å; T151-K155 VanDerWaalsContact O-CG 3.25Å; T151-K155 WeakPolarHBondContact O-CG 3.46Å; T151-K155 PolarHBondContact O-N 3.03Å; K155-Q158 PolarHBondContact O-N 3.14Å; K155-K159 WeakPolarHBondContact O-CB 3.19Å; K155-K159 PolarHBondContact O-N 2.7Å
156	L	88.1	Confident	80	Confident	27 Å²	27	80 Å²	80	14%	0.141	41%	0.412	C	S	.	.	H	α-helix	trans	-61.8	-49	172.6	-177.7	73.9	0	0	0	111.4	V152 F153 E154 Q158 K159 F160 L200 W462	V152-L156 PolarHBondContact O-N 3.06Å; F153-L156 HydrophobicContact CD2-CD2 4.1Å; F153-L156 HydrophobicContact CE2-CD2 4.33Å; F153-L156 WeakPolarHBondContact O-CB 3.28Å; F153-L156 PolarHBondContact O-N 3.47Å; E154-L156 VanDerWaalsContact C-N 3.3Å; E154-L156 PolarHBondContact O-N 2.84Å; L156-Q158 VanDerWaalsContact C-N 3.29Å; L156-Q158 PolarHBondContact O-N 3.12Å; L156-K159 WeakPolarHBondContact O-CB 3.21Å; L156-K159 PolarHBondContact O-N 3.43Å; L156-K159 VanDerWaalsContact O-N 3.16Å; L156-F160 HydrophobicContact CD1-CD2 4.04Å; L156-F160 HydrophobicContact CD1-CE2 3.85Å; L156-F160 HydrophobicContact CG-CD2 4.15Å; L156-F160 HydrophobicContact CG-CE2 4.28Å; L156-F160 WeakPolarHBondContact O-CD2 3.49Å; L156-F160 PolarHBondContact O-N 2.98Å; L156-L200 HydrophobicContact CD2-CD1 3.86Å; L156-L200 HydrophobicContact CD2-CD2 4.17Å; L156-W462 HydrophobicContact CD2-CD2 4.25Å; L156-W462 HydrophobicContact CD2-CG 4Å
157	C	88.3	Confident	82.4	Confident	25 Å²	25	76.3 Å²	76.3	17%	0.169	39%	0.394	C	S	.	.	H	α-helix	trans	-57	-42.4	176	-72.8	0	0	0	0	111.8	F153 E154 F160 S161	F153-C157 PolarHBondContact O-N 3.36Å; F153-C157 PolarHBondContact O-SG 3.2Å; E154-C157 WeakPolarHBondContact O-CB 3.25Å; E154-C157 PolarHBondContact O-N 3Å; C157-F160 PolarHBondContact O-N 2.88Å; C157-S161 WeakPolarHBondContact O-CB 3.38Å; C157-S161 PolarHBondContact O-N 2.83Å
158	Q	86.8	Confident	84.4	Confident	82 Å²	82	74.8 Å²	74.8	38%	0.383	38%	0.381	S	S	.	.	H	α-helix	trans	-68	-37.6	177.5	-157.1	-161.3	72	0	0	112	E154 K155 L156 S161 K162	E154-Q158 WeakPolarHBondContact O-CB 3.49Å; E154-Q158 PolarHBondContact O-N 2.95Å; K155-Q158 PolarHBondContact O-N 3.14Å; L156-Q158 VanDerWaalsContact C-N 3.29Å; L156-Q158 PolarHBondContact O-N 3.12Å; Q158-S161 PolarHBondContact O-N 3.33Å; Q158-S161 PolarHBondContact O-OG 2.79Å; Q158-K162 VanDerWaalsContact CD-NZ 3.35Å; Q158-K162 HydrophobicContact CG-CD 4.3Å; Q158-K162 WeakPolarHBondContact O-CB 3.21Å; Q158-K162 VanDerWaalsContact O-CG 3.27Å; Q158-K162 WeakPolarHBondContact O-CG 3.33Å; Q158-K162 PolarHBondContact O-N 3.2Å
159	K	86.7	Confident	85.8	Confident	156 Å²	156	67.9 Å²	67.9	68%	0.678	35%	0.348	S	S	*	.	H	α-helix	trans	-63.2	-46.1	174.1	-175.5	177.5	179.8	178	0	111.3	K155 L156 K162 D163	K155-K159 WeakPolarHBondContact O-CB 3.19Å; K155-K159 PolarHBondContact O-N 2.7Å; L156-K159 WeakPolarHBondContact O-CB 3.21Å; L156-K159 PolarHBondContact O-N 3.43Å; L156-K159 VanDerWaalsContact O-N 3.16Å; K159-K162 PolarHBondContact O-N 3.34Å; K159-D163 PolarHBondContact O-N 3.28Å
160	F	83.5	Confident	85.8	Confident	24 Å²	24	64.1 Å²	64.1	11%	0.105	33%	0.329	C	S	.	.	H	α-helix	trans	-61.9	-43.9	174.7	-92.3	-96.9	0	0	0	112	L156 C157 K162 D163 Y166 F178 L200	L156-F160 HydrophobicContact CD1-CD2 4.04Å; L156-F160 HydrophobicContact CD1-CE2 3.85Å; L156-F160 HydrophobicContact CG-CD2 4.15Å; L156-F160 HydrophobicContact CG-CE2 4.28Å; L156-F160 WeakPolarHBondContact O-CD2 3.49Å; L156-F160 PolarHBondContact O-N 2.98Å; C157-F160 PolarHBondContact O-N 2.88Å; F160-K162 PolarHBondContact O-N 3.37Å; F160-D163 PolarHBondContact O-N 2.88Å; F160-Y166 HydrophobicContact CB-CE2 4.34Å; F160-Y166 AromaticContact CD1-CD2 3.79Å; F160-Y166 HydrophobicContact CD1-CD2 3.79Å; F160-Y166 AromaticContact CD1-CE2 3.84Å; F160-Y166 HydrophobicContact CD1-CE2 3.84Å; F160-Y166 WeakPolarHBondContact O-CB 3.3Å; F160-Y166 WeakPolarHBondContact O-CD1 3.36Å; F160-Y166 VanDerWaalsContact O-CG 3.26Å; F160-F178 HydrophobicContact CB-CE1 4.06Å; F160-F178 HydrophobicContact CD1-CD1 4.16Å; F160-F178 HydrophobicContact CD1-CE1 4.05Å; F160-F178 HydrophobicContact CD2-CE1 4.16Å; F160-F178 HydrophobicContact CE1-CD1 4.49Å; F160-F178 HydrophobicContact CG-CD1 4.39Å; F160-F178 AromaticContact CG-CE1 3.81Å; F160-F178 HydrophobicContact CG-CE1 3.81Å; F160-L200 HydrophobicContact CD2-CD2 4.29Å; F160-L200 HydrophobicContact CE1-CD2 4.17Å; F160-L200 HydrophobicContact CE2-CD2 3.46Å; F160-L200 VanDerWaalsContact CE2-CD2 3.46Å; F160-L200 HydrophobicContact CZ-CD2 3.39Å
161	S	81.1	Confident	85.8	Confident	59 Å²	59	70.8 Å²	70.8	41%	0.413	35%	0.35	S	S	.	.	H	α-helix	trans	-66.6	-24.8	178.9	77	0	0	0	0	113.6	C157 Q158 K167	C157-S161 WeakPolarHBondContact O-CB 3.38Å; C157-S161 PolarHBondContact O-N 2.83Å; Q158-S161 PolarHBondContact O-N 3.33Å; Q158-S161 PolarHBondContact O-OG 2.79Å; S161-K167 WeakPolarHBondContact O-CE 3.38Å
162	K	85.4	Confident	85.7	Confident	128 Å²	128	71.5 Å²	71.5	56%	0.557	36%	0.36	S	S	*	.	H	α-helix	trans	-82.2	-25.3	176.4	-75.4	171.3	174.5	176.7	0	113.8	Q158 K159 F160 A164	Q158-K162 VanDerWaalsContact CD-NZ 3.35Å; Q158-K162 HydrophobicContact CG-CD 4.3Å; Q158-K162 WeakPolarHBondContact O-CB 3.21Å; Q158-K162 VanDerWaalsContact O-CG 3.27Å; Q158-K162 WeakPolarHBondContact O-CG 3.33Å; Q158-K162 PolarHBondContact O-N 3.2Å; K159-K162 PolarHBondContact O-N 3.34Å; F160-K162 PolarHBondContact O-N 3.37Å; K162-A164 PolarHBondContact O-N 2.86Å
163	D	86.5	Confident	85.5	Confident	56 Å²	56	70.8 Å²	70.8	30%	0.299	37%	0.366	S	S	.	.			trans	-59.2	128.6	-178.1	-179.2	-68.1	0	0	0	112.8	K159 F160 T165 Y166 K167	K159-D163 PolarHBondContact O-N 3.28Å; F160-D163 PolarHBondContact O-N 2.88Å; D163-T165 WeakPolarHBondContact OD1-CA 3.24Å; D163-T165 VanDerWaalsContact OD1-CB 3.31Å; D163-T165 WeakPolarHBondContact OD1-CB 3.45Å; D163-T165 PolarHBondContact OD1-N 3.06Å; D163-Y166 PolarHBondContact O-N 3.48Å; D163-Y166 PolarHBondContact OD1-N 2.96Å; D163-K167 WeakPolarHBondContact O-CG 3.26Å; D163-K167 PolarHBondContact O-N 3.29Å
164	A	86.6	Confident	85.4	Confident	66 Å²	66	76.3 Å²	76.3	55%	0.545	39%	0.39	S	S	.	.	H	α-helix	trans	-68.9	-34.7	-174.8	0	0	0	0	0	113.3	K162 N168	K162-A164 PolarHBondContact O-N 2.86Å; A164-N168 WeakPolarHBondContact O-CB 3.41Å; A164-N168 PolarHBondContact O-N 2.89Å; A164-N168 PolarHBondContact O-ND2 2.82Å; A164-N168 VanDerWaalsContact O-ND2 3.13Å
165	T	84.2	Confident	85.4	Confident	37 Å²	37	73.1 Å²	73.1	23%	0.227	37%	0.374	C	S	.	.	H	α-helix	trans	-70.8	-41.3	176	-62.7	0	0	0	0	110.3	D163 N168 E169 G517	D163-T165 WeakPolarHBondContact OD1-CA 3.24Å; D163-T165 VanDerWaalsContact OD1-CB 3.31Å; D163-T165 WeakPolarHBondContact OD1-CB 3.45Å; D163-T165 PolarHBondContact OD1-N 3.06Å; T165-N168 PolarHBondContact O-N 3.46Å; T165-E169 WeakPolarHBondContact O-CG 3.21Å; T165-E169 PolarHBondContact O-N 2.66Å; T165-G517 VanDerWaalsContact CB-O 3.26Å; T165-G517 WeakPolarHBondContact CB-O 3.37Å; T165-G517 PolarHBondContact OG1-O 2.8Å
166	Y	82.5	Confident	85.3	Confident	28 Å²	28	68.8 Å²	68.8	11%	0.11	36%	0.356	C	S	.	.	H	α-helix	trans	-58.9	-49.2	174.7	-176.9	-88.8	0	0	0	111.4	F160 D163 N168 E169 I170 R175 G177	F160-Y166 HydrophobicContact CB-CE2 4.34Å; F160-Y166 AromaticContact CD1-CD2 3.79Å; F160-Y166 HydrophobicContact CD1-CD2 3.79Å; F160-Y166 AromaticContact CD1-CE2 3.84Å; F160-Y166 HydrophobicContact CD1-CE2 3.84Å; F160-Y166 WeakPolarHBondContact O-CB 3.3Å; F160-Y166 WeakPolarHBondContact O-CD1 3.36Å; F160-Y166 VanDerWaalsContact O-CG 3.26Å; D163-Y166 PolarHBondContact O-N 3.48Å; D163-Y166 PolarHBondContact OD1-N 2.96Å; Y166-N168 VanDerWaalsContact C-N 3.34Å; Y166-N168 PolarHBondContact O-N 2.86Å; Y166-E169 PolarHBondContact O-N 2.91Å; Y166-I170 HydrophobicContact CD1-CD1 3.78Å; Y166-I170 HydrophobicContact CE1-CD1 3.29Å; Y166-I170 HydrophobicContact CE1-CG1 4.41Å; Y166-I170 PolarHBondContact O-N 2.72Å; Y166-R175 VanDerWaalsContact CD2-CD 3.43Å; Y166-R175 HydrophobicContact CE2-CG 4.5Å; Y166-G177 WeakPolarHBondContact CE2-O 3.26Å; Y166-G177 VanDerWaalsContact OH-C 3.25Å; Y166-G177 WeakPolarHBondContact OH-CA 3.41Å; Y166-G177 PolarHBondContact OH-O 2.88Å; Y166-G177 VanDerWaalsContact OH-O 3.1Å
167	K	83.1	Confident	85.3	Confident	108 Å²	108	68.1 Å²	68.1	47%	0.47	36%	0.356	S	S	.	.	H	α-helix	trans	-57.2	-44.3	174	-72.4	178.7	-176.6	-179.1	0	112.5	S161 D163 I170 R171	S161-K167 WeakPolarHBondContact O-CE 3.38Å; D163-K167 WeakPolarHBondContact O-CG 3.26Å; D163-K167 PolarHBondContact O-N 3.29Å; K167-I170 PolarHBondContact O-N 3.32Å; K167-R171 PolarHBondContact O-N 3.36Å
168	N	86.6	Confident	85.5	Confident	89 Å²	89	67.1 Å²	67.1	48%	0.476	35%	0.349	S	S	.	.	H	α-helix	trans	-68.4	-36	179.4	-74.5	-26.5	0	0	0	112.8	A164 T165 Y166 A172	A164-N168 WeakPolarHBondContact O-CB 3.41Å; A164-N168 PolarHBondContact O-N 2.89Å; A164-N168 PolarHBondContact O-ND2 2.82Å; A164-N168 VanDerWaalsContact O-ND2 3.13Å; T165-N168 PolarHBondContact O-N 3.46Å; Y166-N168 VanDerWaalsContact C-N 3.34Å; Y166-N168 PolarHBondContact O-N 2.86Å; N168-A172 VanDerWaalsContact O-CB 3.26Å; N168-A172 WeakPolarHBondContact O-CB 3.48Å; N168-A172 PolarHBondContact O-N 2.78Å
169	E	85.7	Confident	85.8	Confident	23 Å²	23	63.2 Å²	63.2	11%	0.107	33%	0.331	C	S	.	.	H	α-helix	trans	-67.9	-37.7	174.2	-74.2	-167.3	148.5	0	0	112.4	T165 Y166 A172 G173 K174 R175 R180	T165-E169 WeakPolarHBondContact O-CG 3.21Å; T165-E169 PolarHBondContact O-N 2.66Å; Y166-E169 PolarHBondContact O-N 2.91Å; E169-A172 PolarHBondContact O-N 3.33Å; E169-G173 PolarHBondContact O-N 3.36Å; E169-K174 HydrophobicContact CB-CB 4.31Å; E169-K174 PolarHBondContact O-N 3.47Å; E169-R175 HydrophobicContact CB-CB 3.84Å; E169-R175 PolarHBondContact O-N 3.49Å; E169-R175 IonicContact OE2-CZ 3.12Å; E169-R175 VanDerWaalsContact OE2-CZ 3.28Å; E169-R175 IonicContact OE2-NE 2.83Å; E169-R175 PolarHBondContact OE2-NE 2.88Å; E169-R175 IonicContact OE2-NH2 3.28Å; E169-R175 PolarHBondContact OE2-NH2 2.8Å; E169-R180 IonicContact OE1-CZ 3.08Å; E169-R180 IonicContact OE1-NE 2.87Å; E169-R180 PolarHBondContact OE1-NE 2.68Å; E169-R180 IonicContact OE1-NH2 2.67Å; E169-R180 PolarHBondContact OE1-NH2 3.42Å; E169-R180 IonicContact OE2-NE 2.67Å; E169-R180 PolarHBondContact OE2-NE 2.72Å
170	I	83.7	Confident	86.1	Confident	76 Å²	76	58 Å²	58	39%	0.39	31%	0.307	S	S	.	.	H	α-helix	trans	-64.3	-51	173.3	-70.8	177.4	0	0	0	110.5	Y166 K167 A172 G173 R175	Y166-I170 HydrophobicContact CD1-CD1 3.78Å; Y166-I170 HydrophobicContact CE1-CD1 3.29Å; Y166-I170 HydrophobicContact CE1-CG1 4.41Å; Y166-I170 PolarHBondContact O-N 2.72Å; K167-I170 PolarHBondContact O-N 3.32Å; I170-A172 PolarHBondContact O-N 3.3Å; I170-G173 PolarHBondContact O-N 2.93Å; I170-R175 HydrophobicContact CG1-CB 4.03Å; I170-R175 HydrophobicContact CG1-CG 3.81Å
171	R	82.7	Confident	86.5	Confident	202 Å²	202	58.5 Å²	58.5	76%	0.762	31%	0.309	S	S	*	.	H	α-helix	trans	-58	-33.6	178.2	-173.2	-176.8	-70.8	143.7	-8.2	112.4	K167 G173	K167-R171 PolarHBondContact O-N 3.36Å; R171-G173 VanDerWaalsContact C-N 3.29Å; R171-G173 PolarHBondContact O-N 3.25Å
172	A	83.3	Confident	86.8	Confident	57 Å²	57	58 Å²	58	47%	0.471	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	5.9	176.6	0	0	0	0	0	114.6	N168 E169 I170 K174	N168-A172 VanDerWaalsContact O-CB 3.26Å; N168-A172 WeakPolarHBondContact O-CB 3.48Å; N168-A172 PolarHBondContact O-N 2.78Å; E169-A172 PolarHBondContact O-N 3.33Å; I170-A172 PolarHBondContact O-N 3.3Å; A172-K174 HydrophobicContact CB-CD 4.05Å; A172-K174 HydrophobicContact CB-CG 4.17Å; A172-K174 PolarHBondContact O-N 3.47Å
173	G	83.6	Confident	86.8	Confident	50 Å²	50	55 Å²	55	52%	0.515	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.1	19.7	-179	0	0	0	0	0	114.7	E169 I170 R171 F181	E169-G173 PolarHBondContact O-N 3.36Å; I170-G173 PolarHBondContact O-N 2.93Å; R171-G173 VanDerWaalsContact C-N 3.29Å; R171-G173 PolarHBondContact O-N 3.25Å; G173-F181 WeakPolarHBondContact O-CD2 3.2Å
174	K	86.7	Confident	86.7	Confident	126 Å²	126	54.9 Å²	54.9	55%	0.548	29%	0.292	S	S	.	.	S	Bend	trans	-93.9	-4.3	-177.8	-65.8	174.3	-176	170.3	0	113	E169 A172 F181	E169-K174 HydrophobicContact CB-CB 4.31Å; E169-K174 PolarHBondContact O-N 3.47Å; A172-K174 HydrophobicContact CB-CD 4.05Å; A172-K174 HydrophobicContact CB-CG 4.17Å; A172-K174 PolarHBondContact O-N 3.47Å; K174-F181 PolarHBondContact O-N 2.86Å
175	R	88.2	Confident	86.3	Confident	13 Å²	13	54.1 Å²	54.1	5%	0.049	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	146.4	-171.3	173.9	175.4	-68.9	-78	0.5	111.1	Y166 E169 I170 G177 Y179 S199	Y166-R175 VanDerWaalsContact CD2-CD 3.43Å; Y166-R175 HydrophobicContact CE2-CG 4.5Å; E169-R175 HydrophobicContact CB-CB 3.84Å; E169-R175 PolarHBondContact O-N 3.49Å; E169-R175 IonicContact OE2-CZ 3.12Å; E169-R175 VanDerWaalsContact OE2-CZ 3.28Å; E169-R175 IonicContact OE2-NE 2.83Å; E169-R175 PolarHBondContact OE2-NE 2.88Å; E169-R175 IonicContact OE2-NH2 3.28Å; E169-R175 PolarHBondContact OE2-NH2 2.8Å; I170-R175 HydrophobicContact CG1-CB 4.03Å; I170-R175 HydrophobicContact CG1-CG 3.81Å; R175-G177 WeakPolarHBondContact CG-O 3.38Å; R175-Y179 WeakPolarHBondContact CA-O 3.44Å; R175-S199 PolarHBondContact NH1-OG 3.4Å; R175-S199 PolarHBondContact NH2-OG 2.84Å
176	L	88.4	Confident	85.5	Confident	13 Å²	13	52.9 Å²	52.9	7%	0.068	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	111.8	174.1	174.8	79.1	0	0	0	107.2	F178 Y179 F181 V207 H245 V247 H252	L176-F178 PolarHBondContact O-N 3.15Å; L176-Y179 PolarHBondContact N-O 3.4Å; L176-Y179 WeakPolarHBondContact O-CA 3.2Å; L176-Y179 VanDerWaalsContact O-CB 3.26Å; L176-Y179 WeakPolarHBondContact O-CB 3.37Å; L176-Y179 WeakPolarHBondContact O-CD2 3.4Å; L176-Y179 PolarHBondContact O-N 3.04Å; L176-F181 HydrophobicContact CB-CE1 4.44Å; L176-F181 HydrophobicContact CB-CE2 4.07Å; L176-F181 HydrophobicContact CB-CZ 3.65Å; L176-F181 HydrophobicContact CD2-CZ 4.24Å; L176-V207 HydrophobicContact CD2-CG1 4.08Å; L176-H245 HydrophobicContact CD1-CB 3.9Å; L176-H245 HydrophobicContact CD2-CB 4.17Å; L176-H245 WeakPolarHBondContact CD2-CD2 3.43Å; L176-H245 HydrophobicContact CG-CB 4.21Å; L176-V247 HydrophobicContact CD1-CG2 3.65Å; L176-H252 HydrophobicContact CD1-CB 4.39Å; L176-H252 HydrophobicContact CD2-CB 3.3Å; L176-H252 HydrophobicContact CG-CB 4.46Å
177	G	88.6	Confident	84.5	Confident	13 Å²	13	57.7 Å²	57.7	13%	0.134	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.6	-133.5	-174	0	0	0	0	0	112.5	Y166 R175 Y179	Y166-G177 WeakPolarHBondContact CE2-O 3.26Å; Y166-G177 VanDerWaalsContact OH-C 3.25Å; Y166-G177 WeakPolarHBondContact OH-CA 3.41Å; Y166-G177 PolarHBondContact OH-O 2.88Å; Y166-G177 VanDerWaalsContact OH-O 3.1Å; R175-G177 WeakPolarHBondContact CG-O 3.38Å; G177-Y179 PolarHBondContact O-N 3.09Å
178	F	92.3	Very high	83.1	Confident	4 Å²	4	53.5 Å²	53.5	2%	0.018	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-7.6	174.5	-63.5	-55	0	0	0	113.9	F153 F160 L176 S199 L200 K480 I484	F153-F178 HydrophobicContact CE2-CE2 4.42Å; F153-F178 HydrophobicContact CZ-CE2 4.07Å; F160-F178 HydrophobicContact CB-CE1 4.06Å; F160-F178 HydrophobicContact CD1-CD1 4.16Å; F160-F178 HydrophobicContact CD1-CE1 4.05Å; F160-F178 HydrophobicContact CD2-CE1 4.16Å; F160-F178 HydrophobicContact CE1-CD1 4.49Å; F160-F178 HydrophobicContact CG-CD1 4.39Å; F160-F178 AromaticContact CG-CE1 3.81Å; F160-F178 HydrophobicContact CG-CE1 3.81Å; L176-F178 PolarHBondContact O-N 3.15Å; F178-S199 WeakPolarHBondContact O-CB 3.38Å; F178-S199 PolarHBondContact O-N 3.1Å; F178-S199 PolarHBondContact O-OG 3.07Å; F178-L200 HydrophobicContact CD1-CD1 4.14Å; F178-L200 HydrophobicContact CD1-CD2 4.3Å; F178-L200 HydrophobicContact CD1-CG 4Å; F178-L200 HydrophobicContact CD2-CD1 4.13Å; F178-L200 HydrophobicContact CE1-CD1 3.98Å; F178-L200 HydrophobicContact CE1-CD2 4.26Å; F178-L200 HydrophobicContact CE1-CG 4.2Å; F178-L200 HydrophobicContact CE2-CD1 3.97Å; F178-L200 HydrophobicContact CG-CD1 4.22Å; F178-L200 HydrophobicContact CG-CG 4.22Å; F178-L200 HydrophobicContact CZ-CD1 3.89Å; F178-K480 HydrophobicContact CD2-CB 4.36Å; F178-K480 HydrophobicContact CD2-CD 4.49Å; F178-K480 HydrophobicContact CE2-CB 4.02Å; F178-K480 HydrophobicContact CE2-CD 3.95Å; F178-K480 HydrophobicContact CE2-CG 4.36Å; F178-I484 HydrophobicContact CD2-CD1 4.27Å; F178-I484 HydrophobicContact CE2-CD1 4.17Å
179	Y	93.5	Very high	81.2	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	118.1	-176.7	-53.5	-78.4	0	0	0	111.9	R175 L176 G177 H198 V205 E243 H245 V254 I487	R175-Y179 WeakPolarHBondContact CA-O 3.44Å; L176-Y179 PolarHBondContact N-O 3.4Å; L176-Y179 WeakPolarHBondContact O-CA 3.2Å; L176-Y179 VanDerWaalsContact O-CB 3.26Å; L176-Y179 WeakPolarHBondContact O-CB 3.37Å; L176-Y179 WeakPolarHBondContact O-CD2 3.4Å; L176-Y179 PolarHBondContact O-N 3.04Å; G177-Y179 PolarHBondContact O-N 3.09Å; Y179-H198 HydrophobicContact CD1-CB 4.19Å; Y179-H198 HydrophobicContact CE1-CB 4.04Å; Y179-H198 AromaticContact CE1-CD2 3.35Å; Y179-H198 WeakPolarHBondContact CE1-CD2 3.35Å; Y179-H198 AromaticContact CZ-CD2 3.58Å; Y179-V205 HydrophobicContact CD1-CG2 3.54Å; Y179-V205 HydrophobicContact CE1-CG1 4.48Å; Y179-V205 HydrophobicContact CE1-CG2 3.8Å; Y179-E243 HydrophobicContact CE2-CB 4.46Å; Y179-E243 WeakPolarHBondContact CE2-OE2 3.46Å; Y179-E243 PolarHBondContact OH-OE2 3.21Å; Y179-E243 VanDerWaalsContact OH-OE2 3.09Å; Y179-H245 AromaticContact CD2-NE2 3.41Å; Y179-H245 WeakPolarHBondContact CD2-NE2 3.5Å; Y179-H245 AromaticContact CE2-NE2 3.36Å; Y179-H245 WeakPolarHBondContact CE2-NE2 3.49Å; Y179-V254 HydrophobicContact CD1-CG1 4.02Å; Y179-V254 HydrophobicContact CD2-CG2 3.96Å; Y179-V254 HydrophobicContact CE1-CB 4.47Å; Y179-V254 HydrophobicContact CE1-CG1 3.46Å; Y179-V254 VanDerWaalsContact CE1-CG1 3.46Å; Y179-V254 HydrophobicContact CE1-CG2 4.36Å; Y179-V254 HydrophobicContact CE2-CB 4.49Å; Y179-V254 HydrophobicContact CE2-CG1 4.27Å; Y179-V254 HydrophobicContact CE2-CG2 3.7Å; Y179-V254 HydrophobicContact CG-CG2 4.41Å; Y179-I487 HydrophobicContact CE1-CD1 3.86Å; Y179-I487 WeakPolarHBondContact OH-CD1 3.43Å
180	R	92.1	Very high	79.6	Confident	47 Å²	47	54.7 Å²	54.7	18%	0.177	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	119.8	174.3	-167.9	-176.5	-165.4	-176.9	-4.3	109.3	E169 V182 A196 L197 N516	E169-R180 IonicContact OE1-CZ 3.08Å; E169-R180 IonicContact OE1-NE 2.87Å; E169-R180 PolarHBondContact OE1-NE 2.68Å; E169-R180 IonicContact OE1-NH2 2.67Å; E169-R180 PolarHBondContact OE1-NH2 3.42Å; E169-R180 IonicContact OE2-NE 2.67Å; E169-R180 PolarHBondContact OE2-NE 2.72Å; R180-V182 PolarHBondContact O-N 3.07Å; R180-A196 CarbonylContact O-C 3.52Å; R180-A196 WeakPolarHBondContact O-CA 3.49Å; R180-A196 WeakPolarHBondContact O-CB 3.47Å; R180-L197 PolarHBondContact N-O 3.34Å; R180-L197 PolarHBondContact O-N 3.43Å; R180-N516 PolarHBondContact NH1-OD1 3.2Å; R180-N516 VanDerWaalsContact NH1-OD1 3.11Å
181	F	91.3	Very high	78.7	Confident	33 Å²	33	51.3 Å²	51.3	15%	0.145	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	131	178.6	-61.3	-51.6	0	0	0	111	G173 K174 L176 K194 A196 V207	G173-F181 WeakPolarHBondContact O-CD2 3.2Å; K174-F181 PolarHBondContact O-N 2.86Å; L176-F181 HydrophobicContact CB-CE1 4.44Å; L176-F181 HydrophobicContact CB-CE2 4.07Å; L176-F181 HydrophobicContact CB-CZ 3.65Å; L176-F181 HydrophobicContact CD2-CZ 4.24Å; F181-K194 HydrophobicContact CD1-CB 3.83Å; F181-K194 HydrophobicContact CD1-CD 3.62Å; F181-K194 HydrophobicContact CD1-CG 4.36Å; F181-K194 HydrophobicContact CD2-CD 4.18Å; F181-K194 HydrophobicContact CE1-CB 4.18Å; F181-K194 HydrophobicContact CE1-CD 3.72Å; F181-K194 HydrophobicContact CE2-CD 4.27Å; F181-K194 HydrophobicContact CG-CD 3.87Å; F181-K194 HydrophobicContact CZ-CD 4.05Å; F181-A196 HydrophobicContact CD1-CB 3.95Å; F181-A196 HydrophobicContact CE1-CB 4.46Å; F181-V207 HydrophobicContact CE1-CB 3.98Å; F181-V207 HydrophobicContact CE1-CG1 3.98Å; F181-V207 HydrophobicContact CE1-CG2 4.12Å; F181-V207 HydrophobicContact CZ-CG1 4.49Å
182	V	87.4	Confident	78.4	Confident	50 Å²	50	44.5 Å²	44.5	30%	0.303	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	-55.2	179.3	-177	0	0	0	0	110	R180 L195 L197	R180-V182 PolarHBondContact O-N 3.07Å; V182-L195 HydrophobicContact CB-CB 4.45Å; V182-L195 HydrophobicContact CB-CD2 4.27Å; V182-L195 HydrophobicContact CB-CG 4.16Å; V182-L195 HydrophobicContact CG1-CD2 4.28Å; V182-L195 HydrophobicContact CG2-CG 4.4Å; V182-L195 PolarHBondContact N-O 2.93Å; V182-L197 HydrophobicContact CG2-CB 4.25Å
183	L	86	Confident	78.3	Confident	63 Å²	63	42.9 Å²	42.9	33%	0.33	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	167	-179.9	55.8	85.3	0	0	0	111.3	I185 K194 L195	L183-I185 HydrophobicContact CD1-CG2 3.35Å; L183-K194 CarbonylContact O-C 3.58Å; L183-K194 WeakPolarHBondContact O-CA 3.46Å; L183-L195 HydrophobicContact CD1-CB 4.13Å; L183-L195 HydrophobicContact CG-CB 4.31Å; L183-L195 HydrophobicContact CG-CD2 4.34Å; L183-L195 PolarHBondContact N-O 2.82Å; L183-L195 PolarHBondContact O-N 3.45Å
184	D	84.6	Confident	78.4	Confident	55 Å²	55	42.2 Å²	42.2	29%	0.294	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	126	170.5	-57.2	-23.5	0	0	0	108.7	R187 K192 K194	D184-R187 IonicContact OD2-CZ 2.72Å; D184-R187 IonicContact OD2-NE 2.84Å; D184-R187 PolarHBondContact OD2-NE 3.48Å; D184-R187 IonicContact OD2-NH2 3.32Å; D184-R187 PolarHBondContact OD2-NH2 3.31Å; D184-K192 VanDerWaalsContact CG-NZ 3.31Å; D184-K192 WeakPolarHBondContact OD1-CE 3.36Å; D184-K192 IonicContact OD1-NZ 2.66Å; D184-K192 PolarHBondContact OD1-NZ 3.12Å; D184-K192 WeakPolarHBondContact OD2-CE 3.31Å; D184-K192 IonicContact OD2-NZ 3.13Å; D184-K192 PolarHBondContact OD2-NZ 3.37Å; D184-K194 IonicContact OD1-NZ 2.86Å; D184-K194 PolarHBondContact OD1-NZ 2.81Å
185	I	78.6	Confident	78.7	Confident	49 Å²	49	36.7 Å²	36.7	25%	0.251	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	-27.2	175.4	54.4	-179.7	0	0	0	113	L183 V193 L195 A206 Y257	L183-I185 HydrophobicContact CD1-CG2 3.35Å; I185-V193 HydrophobicContact CD1-CG1 3.81Å; I185-V193 HydrophobicContact CG1-CB 4.01Å; I185-V193 HydrophobicContact CG1-CG1 3.73Å; I185-V193 WeakPolarHBondContact CG1-O 3.36Å; I185-V193 PolarHBondContact N-O 3.42Å; I185-L195 HydrophobicContact CD1-CB 4.43Å; I185-L195 HydrophobicContact CG2-CB 3.78Å; I185-A206 HydrophobicContact CD1-CB 4.33Å; I185-Y257 HydrophobicContact CD1-CD2 3.99Å; I185-Y257 HydrophobicContact CD1-CE2 3.88Å
186	G	67.5	Low	78.9	Confident	12 Å²	12	36.1 Å²	36.1	12%	0.124	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	154.6	176.6	0	0	0	0	0	111.9	V193	G186-V193 PolarHBondContact N-O 2.88Å; G186-V193 PolarHBondContact O-N 3.06Å; G186-V193 VanDerWaalsContact O-O 3.14Å
187	R	59.9	Low	79.2	Confident	128 Å²	128	35.8 Å²	35.8	48%	0.483	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	135.1	173.8	-67.4	-175.3	-174.6	-179.8	1.9	109.3	I82 D184 K192	I82-R187 WeakPolarHBondContact CD1-O 3.41Å; I82-R187 WeakPolarHBondContact CG1-O 3.24Å; D184-R187 IonicContact OD2-CZ 2.72Å; D184-R187 IonicContact OD2-NE 2.84Å; D184-R187 PolarHBondContact OD2-NE 3.48Å; D184-R187 IonicContact OD2-NH2 3.32Å; D184-R187 PolarHBondContact OD2-NH2 3.31Å; R187-K192 HydrophobicContact CG-CD 4.37Å; R187-K192 HydrophobicContact CG-CG 4.19Å
188	G	53.6	Low	79.4	Confident	21 Å²	21	35.1 Å²	35.1	22%	0.216	18%	0.176	C	C	.	.			trans	-122.9	-158.3	146.9	0	0	0	0	0	110.3	S191	G188-S191 PolarHBondContact N-O 3.45Å
189	N	47.8	Very low	79.4	Confident	96 Å²	96	35 Å²	35	51%	0.513	18%	0.176	S	C	.	.	S	Bend	trans	-65.5	-40.1	-175.5	-31.8	-27.3	0	0	0	114.6	V85	V85-N189 HydrophobicContact CG1-CB 3.56Å
190	F	52.1	Low	79.4	Confident	40 Å²	40	35.1 Å²	35.1	18%	0.175	18%	0.176	C	C	.	.	S	Bend	trans	-118.9	-21.7	176.6	-45.6	-60.2	0	0	0	114.6	V85 D89 D211 K214	V85-F190 HydrophobicContact CG1-CB 4.08Å; V85-F190 HydrophobicContact CG1-CD2 3.22Å; V85-F190 HydrophobicContact CG1-CE2 3.46Å; V85-F190 VanDerWaalsContact CG1-CE2 3.46Å; V85-F190 HydrophobicContact CG1-CG 4Å; D89-F190 HydrophobicContact CB-CD2 4.21Å; D89-F190 HydrophobicContact CB-CE2 3.5Å; D89-F190 HydrophobicContact CB-CZ 4.34Å; D89-F190 WeakPolarHBondContact OD1-CE2 3.44Å; D89-F190 WeakPolarHBondContact OD1-CZ 3.4Å; D89-F190 WeakPolarHBondContact OD2-CE2 3.5Å; D89-F190 VanDerWaalsContact OD2-CZ 3.28Å; D89-F190 WeakPolarHBondContact OD2-CZ 3.39Å; F190-D211 HydrophobicContact CB-CB 4.25Å; F190-D211 PolarHBondContact O-N 2.78Å; F190-D211 VanDerWaalsContact O-N 3.11Å; F190-K214 HydrophobicContact CD1-CD 4.24Å; F190-K214 HydrophobicContact CE1-CD 3.89Å; F190-K214 HydrophobicContact CZ-CD 4.26Å
191	S	64.2	Low	79.4	Confident	5 Å²	5	32.9 Å²	32.9	4%	0.035	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	147.4	175.8	95.3	0	0	0	0	111.6	E84 V85 G188 V209	E84-S191 PolarHBondContact OE2-OG 3.28Å; V85-S191 VanDerWaalsContact CG2-OG 3.25Å; V85-S191 WeakPolarHBondContact CG2-OG 3.32Å; G188-S191 PolarHBondContact N-O 3.45Å; S191-V209 CarbonylContact C-O 3.59Å; S191-V209 WeakPolarHBondContact CA-O 3.32Å
192	K	75.9	Confident	79.5	Confident	60 Å²	60	34.1 Å²	34.1	26%	0.261	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	113	177.7	179.7	164.5	-176.2	171.5	0	110	D184 R187 K194 V209	D184-K192 VanDerWaalsContact CG-NZ 3.31Å; D184-K192 WeakPolarHBondContact OD1-CE 3.36Å; D184-K192 IonicContact OD1-NZ 2.66Å; D184-K192 PolarHBondContact OD1-NZ 3.12Å; D184-K192 WeakPolarHBondContact OD2-CE 3.31Å; D184-K192 IonicContact OD2-NZ 3.13Å; D184-K192 PolarHBondContact OD2-NZ 3.37Å; R187-K192 HydrophobicContact CG-CD 4.37Å; R187-K192 HydrophobicContact CG-CG 4.19Å; K192-K194 HydrophobicContact CG-CG 4.42Å; K192-V209 HydrophobicContact CB-CB 4.39Å; K192-V209 PolarHBondContact N-O 2.8Å; K192-V209 WeakPolarHBondContact O-CB 3.42Å; K192-V209 WeakPolarHBondContact O-CG2 3.36Å; K192-V209 PolarHBondContact O-N 3.31Å
193	V	81.9	Confident	79.7	Confident	22 Å²	22	32.3 Å²	32.3	13%	0.133	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	125.7	178.9	-164	0	0	0	0	109.5	I185 G186 A206 V207 K208	I185-V193 HydrophobicContact CD1-CG1 3.81Å; I185-V193 HydrophobicContact CG1-CB 4.01Å; I185-V193 HydrophobicContact CG1-CG1 3.73Å; I185-V193 WeakPolarHBondContact CG1-O 3.36Å; I185-V193 PolarHBondContact N-O 3.42Å; G186-V193 PolarHBondContact N-O 2.88Å; G186-V193 PolarHBondContact O-N 3.06Å; G186-V193 VanDerWaalsContact O-O 3.14Å; V193-A206 HydrophobicContact CG1-CB 4.17Å; V193-V207 CarbonylContact C-O 3.5Å; V193-V207 WeakPolarHBondContact CA-O 3.42Å; V193-K208 HydrophobicContact CG2-CB 4.44Å; V193-K208 HydrophobicContact CG2-CG 4.48Å
194	K	86.5	Confident	80.1	Confident	36 Å²	36	33.6 Å²	33.6	16%	0.157	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	136.8	179.9	-69.7	172.9	165.4	-68.7	0	110.2	F181 L183 D184 K192 A206 V207 V209	F181-K194 HydrophobicContact CD1-CB 3.83Å; F181-K194 HydrophobicContact CD1-CD 3.62Å; F181-K194 HydrophobicContact CD1-CG 4.36Å; F181-K194 HydrophobicContact CD2-CD 4.18Å; F181-K194 HydrophobicContact CE1-CB 4.18Å; F181-K194 HydrophobicContact CE1-CD 3.72Å; F181-K194 HydrophobicContact CE2-CD 4.27Å; F181-K194 HydrophobicContact CG-CD 3.87Å; F181-K194 HydrophobicContact CZ-CD 4.05Å; L183-K194 CarbonylContact O-C 3.58Å; L183-K194 WeakPolarHBondContact O-CA 3.46Å; D184-K194 IonicContact OD1-NZ 2.86Å; D184-K194 PolarHBondContact OD1-NZ 2.81Å; K192-K194 HydrophobicContact CG-CG 4.42Å; K194-A206 CarbonylContact O-C 3.58Å; K194-V207 PolarHBondContact N-O 3.3Å; K194-V207 PolarHBondContact O-N 2.72Å; K194-V209 HydrophobicContact CD-CG2 4.17Å
195	L	91.5	Very high	80.4	Confident	11 Å²	11	31 Å²	31	6%	0.058	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	128.6	161.6	178.1	63.4	0	0	0	107.8	V182 L183 I185 E204 Y257	V182-L195 HydrophobicContact CB-CB 4.45Å; V182-L195 HydrophobicContact CB-CD2 4.27Å; V182-L195 HydrophobicContact CB-CG 4.16Å; V182-L195 HydrophobicContact CG1-CD2 4.28Å; V182-L195 HydrophobicContact CG2-CG 4.4Å; V182-L195 PolarHBondContact N-O 2.93Å; L183-L195 HydrophobicContact CD1-CB 4.13Å; L183-L195 HydrophobicContact CG-CB 4.31Å; L183-L195 HydrophobicContact CG-CD2 4.34Å; L183-L195 PolarHBondContact N-O 2.82Å; L183-L195 PolarHBondContact O-N 3.45Å; I185-L195 HydrophobicContact CD1-CB 4.43Å; I185-L195 HydrophobicContact CG2-CB 3.78Å; L195-E204 HydrophobicContact CD1-CB 4.05Å; L195-E204 HydrophobicContact CD1-CG 4.41Å; L195-Y257 HydrophobicContact CD1-CD1 3.69Å; L195-Y257 HydrophobicContact CD1-CD2 4.16Å; L195-Y257 HydrophobicContact CD1-CE1 3.75Å; L195-Y257 HydrophobicContact CD1-CE2 4.22Å; L195-Y257 HydrophobicContact CD1-CG 3.91Å
196	A	92.8	Very high	81	Confident	0 Å²	0	29 Å²	29	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	160.1	175	0	0	0	0	0	111.2	R180 F181 E204 V205 V207	R180-A196 CarbonylContact O-C 3.52Å; R180-A196 WeakPolarHBondContact O-CA 3.49Å; R180-A196 WeakPolarHBondContact O-CB 3.47Å; F181-A196 HydrophobicContact CD1-CB 3.95Å; F181-A196 HydrophobicContact CE1-CB 4.46Å; A196-E204 WeakPolarHBondContact O-CA 3.44Å; A196-V205 HydrophobicContact CB-CG2 4.01Å; A196-V205 PolarHBondContact N-O 3.02Å; A196-V205 PolarHBondContact O-N 3.43Å; A196-V207 HydrophobicContact CB-CG2 3.7Å
197	L	94.7	Very high	82.1	Confident	6 Å²	6	28.4 Å²	28.4	3%	0.031	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	124.3	176.6	-175.2	72.5	0	0	0	109	R180 V182 S199 E204 Y506	R180-L197 PolarHBondContact N-O 3.34Å; R180-L197 PolarHBondContact O-N 3.43Å; V182-L197 HydrophobicContact CG2-CB 4.25Å; L197-S199 PolarHBondContact O-N 2.96Å; L197-E204 HydrophobicContact CD1-CG 4.17Å; L197-Y506 HydrophobicContact CD2-CD2 3.37Å; L197-Y506 HydrophobicContact CD2-CE2 3.87Å; L197-Y506 HydrophobicContact CD2-CG 3.96Å
198	H	94.1	Very high	83.2	Confident	0 Å²	0	23 Å²	23	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	121.1	174.1	-171.5	-63.7	0	0	0	109.8	Y179 L200 V201 N202 I203 I484 I487	Y179-H198 HydrophobicContact CD1-CB 4.19Å; Y179-H198 HydrophobicContact CE1-CB 4.04Å; Y179-H198 AromaticContact CE1-CD2 3.35Å; Y179-H198 WeakPolarHBondContact CE1-CD2 3.35Å; Y179-H198 AromaticContact CZ-CD2 3.58Å; H198-L200 PolarHBondContact ND1-N 3.09Å; H198-L200 PolarHBondContact O-N 2.82Å; H198-V201 HydrophobicContact CB-CG2 3.95Å; H198-V201 PolarHBondContact ND1-N 2.87Å; H198-N202 WeakPolarHBondContact O-CA 3.12Å; H198-N202 PolarHBondContact O-N 3.3Å; H198-I203 PolarHBondContact N-O 3.29Å; H198-I484 WeakPolarHBondContact NE2-CG1 3.4Å; H198-I487 HydrophobicContact CB-CD1 4.49Å
199	S	91.9	Very high	84.5	Confident	2 Å²	2	22.4 Å²	22.4	1%	0.014	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-18.4	-165.5	-59.4	0	0	0	0	115.5	R175 F178 L197	R175-S199 PolarHBondContact NH1-OG 3.4Å; R175-S199 PolarHBondContact NH2-OG 2.84Å; F178-S199 WeakPolarHBondContact O-CB 3.38Å; F178-S199 PolarHBondContact O-N 3.1Å; F178-S199 PolarHBondContact O-OG 3.07Å; L197-S199 PolarHBondContact O-N 2.96Å
200	L	92.4	Very high	85.8	Confident	1 Å²	1	18.5 Å²	18.5	1%	0.005	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-57	174.4	-53.7	-178.8	0	0	0	112.3	F153 L156 F160 F178 H198 W462 I484	F153-L200 HydrophobicContact CE2-CD1 4.35Å; L156-L200 HydrophobicContact CD2-CD1 3.86Å; L156-L200 HydrophobicContact CD2-CD2 4.17Å; F160-L200 HydrophobicContact CD2-CD2 4.29Å; F160-L200 HydrophobicContact CE1-CD2 4.17Å; F160-L200 HydrophobicContact CE2-CD2 3.46Å; F160-L200 VanDerWaalsContact CE2-CD2 3.46Å; F160-L200 HydrophobicContact CZ-CD2 3.39Å; F178-L200 HydrophobicContact CD1-CD1 4.14Å; F178-L200 HydrophobicContact CD1-CD2 4.3Å; F178-L200 HydrophobicContact CD1-CG 4Å; F178-L200 HydrophobicContact CD2-CD1 4.13Å; F178-L200 HydrophobicContact CE1-CD1 3.98Å; F178-L200 HydrophobicContact CE1-CD2 4.26Å; F178-L200 HydrophobicContact CE1-CG 4.2Å; F178-L200 HydrophobicContact CE2-CD1 3.97Å; F178-L200 HydrophobicContact CG-CD1 4.22Å; F178-L200 HydrophobicContact CG-CG 4.22Å; F178-L200 HydrophobicContact CZ-CD1 3.89Å; H198-L200 PolarHBondContact ND1-N 3.09Å; H198-L200 PolarHBondContact O-N 2.82Å; L200-W462 HydrophobicContact CB-CH2 3.82Å; L200-W462 HydrophobicContact CB-CZ2 3.69Å; L200-W462 HydrophobicContact CD1-CH2 4.34Å; L200-W462 HydrophobicContact CD1-CZ2 4.15Å; L200-W462 HydrophobicContact CG-CZ2 4.38Å; L200-I484 HydrophobicContact CD1-CD1 3.8Å
201	V	93.2	Very high	86.6	Confident	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	6.2	-177.1	-57.1	0	0	0	0	115	H198 I203 W461 W462 I484 I487 L488 Y495	H198-V201 HydrophobicContact CB-CG2 3.95Å; H198-V201 PolarHBondContact ND1-N 2.87Å; V201-I203 HydrophobicContact CB-CD1 4.28Å; V201-I203 HydrophobicContact CG2-CB 4.23Å; V201-I203 HydrophobicContact CG2-CD1 3.95Å; V201-I203 HydrophobicContact CG2-CG1 4.38Å; V201-I203 WeakPolarHBondContact O-CG1 3.35Å; V201-I203 PolarHBondContact O-N 2.96Å; V201-W461 HydrophobicContact CG1-CZ3 4.02Å; V201-W462 HydrophobicContact CG1-CH2 3.8Å; V201-W462 HydrophobicContact CG1-CZ3 4.38Å; V201-I484 HydrophobicContact CG1-CG2 4.07Å; V201-I487 HydrophobicContact CG2-CG2 3.85Å; V201-L488 HydrophobicContact CB-CD2 4.32Å; V201-L488 HydrophobicContact CG1-CD1 4.43Å; V201-L488 HydrophobicContact CG1-CD2 3.88Å; V201-L488 HydrophobicContact CG1-CG 4.2Å; V201-Y495 HydrophobicContact CB-CE2 4.45Å; V201-Y495 PolarHBondContact O-OH 3.4Å
202	N	92.3	Very high	86.8	Confident	60 Å²	60	17.9 Å²	17.9	32%	0.321	9%	0.088	S	C	.	.			trans	49.1	30.2	175.3	-161.6	57.8	0	0	0	116.3	H198 P502	H198-N202 WeakPolarHBondContact O-CA 3.12Å; H198-N202 PolarHBondContact O-N 3.3Å; N202-P502 HydrophobicContact CB-CB 3.86Å; N202-P502 HydrophobicContact CB-CG 4.48Å
203	I	93	Very high	86.3	Confident	12 Å²	12	19.8 Å²	19.8	6%	0.062	11%	0.105	C	C	.	.			trans	-97.6	140.1	178.4	-75.2	157.7	0	0	0	110.5	H198 V201 V205 I487 K491 Y495	H198-I203 PolarHBondContact N-O 3.29Å; V201-I203 HydrophobicContact CB-CD1 4.28Å; V201-I203 HydrophobicContact CG2-CB 4.23Å; V201-I203 HydrophobicContact CG2-CD1 3.95Å; V201-I203 HydrophobicContact CG2-CG1 4.38Å; V201-I203 WeakPolarHBondContact O-CG1 3.35Å; V201-I203 PolarHBondContact O-N 2.96Å; I203-V205 HydrophobicContact CG2-CG1 4.36Å; I203-I487 HydrophobicContact CB-CG2 4.02Å; I203-I487 HydrophobicContact CD1-CG2 3.63Å; I203-I487 HydrophobicContact CG1-CG2 4.43Å; I203-I487 HydrophobicContact CG2-CG2 3.89Å; I203-K491 HydrophobicContact CD1-CB 3.8Å; I203-K491 HydrophobicContact CG1-CB 4.31Å; I203-K491 HydrophobicContact CG2-CB 4.04Å; I203-K491 HydrophobicContact CG2-CG 4.2Å; I203-Y495 HydrophobicContact CD1-CE2 3.8Å; I203-Y495 HydrophobicContact CG1-CE2 4.29Å
204	E	92.9	Very high	85.2	Confident	90 Å²	90	23.8 Å²	23.8	42%	0.421	12%	0.121	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	135.4	173	-68.1	-167.7	147.3	0	0	111.4	L195 A196 L197 Y257	L195-E204 HydrophobicContact CD1-CB 4.05Å; L195-E204 HydrophobicContact CD1-CG 4.41Å; A196-E204 WeakPolarHBondContact O-CA 3.44Å; L197-E204 HydrophobicContact CD1-CG 4.17Å; E204-Y257 HydrophobicContact CB-CD1 4.06Å
205	V	92.3	Very high	83.9	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	154	-179.5	-60.4	0	0	0	0	110.6	Y179 A196 I203 V207 Y242 V254 M255 I487	Y179-V205 HydrophobicContact CD1-CG2 3.54Å; Y179-V205 HydrophobicContact CE1-CG1 4.48Å; Y179-V205 HydrophobicContact CE1-CG2 3.8Å; A196-V205 HydrophobicContact CB-CG2 4.01Å; A196-V205 PolarHBondContact N-O 3.02Å; A196-V205 PolarHBondContact O-N 3.43Å; I203-V205 HydrophobicContact CG2-CG1 4.36Å; V205-V207 HydrophobicContact CG2-CG2 4.3Å; V205-Y242 HydrophobicContact CG1-CD2 4.07Å; V205-Y242 HydrophobicContact CG1-CE2 3.96Å; V205-V254 HydrophobicContact CB-CG1 3.93Å; V205-V254 HydrophobicContact CG1-CG1 4.33Å; V205-V254 HydrophobicContact CG2-CG1 3.72Å; V205-M255 WeakPolarHBondContact CB-O 3.27Å; V205-I487 HydrophobicContact CG1-CD1 4.09Å; V205-I487 HydrophobicContact CG1-CG1 4.41Å
206	A	91	Very high	82.4	Confident	7 Å²	7	25.5 Å²	25.5	6%	0.058	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	140.3	168.7	0	0	0	0	0	109.2	I185 V193 K194 V254 M255	I185-A206 HydrophobicContact CD1-CB 4.33Å; V193-A206 HydrophobicContact CG1-CB 4.17Å; K194-A206 CarbonylContact O-C 3.58Å; A206-V254 CarbonylContact O-C 3.49Å; A206-V254 WeakPolarHBondContact O-CA 3.4Å; A206-M255 HydrophobicContact CB-CB 4.5Å; A206-M255 PolarHBondContact N-O 2.75Å; A206-M255 PolarHBondContact O-N 2.92Å
207	V	89.6	Confident	80.9	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	105.5	173	-175.6	0	0	0	0	108.7	L176 F181 V193 K194 A196 V205 V209 H252 L253 V254	L176-V207 HydrophobicContact CD2-CG1 4.08Å; F181-V207 HydrophobicContact CE1-CB 3.98Å; F181-V207 HydrophobicContact CE1-CG1 3.98Å; F181-V207 HydrophobicContact CE1-CG2 4.12Å; F181-V207 HydrophobicContact CZ-CG1 4.49Å; V193-V207 CarbonylContact C-O 3.5Å; V193-V207 WeakPolarHBondContact CA-O 3.42Å; K194-V207 PolarHBondContact N-O 3.3Å; K194-V207 PolarHBondContact O-N 2.72Å; A196-V207 HydrophobicContact CB-CG2 3.7Å; V205-V207 HydrophobicContact CG2-CG2 4.3Å; V207-V209 HydrophobicContact CG1-CG2 4.35Å; V207-V209 PolarHBondContact O-N 2.82Å; V207-H252 HydrophobicContact CG1-CB 3.99Å; V207-L253 CarbonylContact C-O 3.6Å; V207-L253 WeakPolarHBondContact CA-O 3.28Å; V207-V254 HydrophobicContact CG2-CG1 4.41Å; V207-V254 HydrophobicContact CG2-CG2 4.28Å
208	K	83.6	Confident	79	Confident	14 Å²	14	36.1 Å²	36.1	6%	0.061	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	102.9	174	178.9	169.6	175.6	166.1	0	107.9	E84 V193 I210 H252 L253 M255 D319	E84-K208 WeakPolarHBondContact OE1-CD 3.5Å; E84-K208 WeakPolarHBondContact OE1-CE 3.43Å; E84-K208 IonicContact OE1-NZ 3.25Å; E84-K208 PolarHBondContact OE1-NZ 2.86Å; E84-K208 WeakPolarHBondContact OE2-CE 3.36Å; E84-K208 IonicContact OE2-NZ 3.32Å; E84-K208 PolarHBondContact OE2-NZ 3.28Å; V193-K208 HydrophobicContact CG2-CB 4.44Å; V193-K208 HydrophobicContact CG2-CG 4.48Å; K208-I210 HydrophobicContact CG-CD1 4.26Å; K208-I210 HydrophobicContact CG-CG1 4Å; K208-H252 WeakPolarHBondContact O-CA 3.26Å; K208-L253 HydrophobicContact CB-CB 4.44Å; K208-L253 PolarHBondContact N-O 2.85Å; K208-L253 PolarHBondContact O-N 2.8Å; K208-M255 HydrophobicContact CB-CE 3.67Å; K208-M255 HydrophobicContact CD-CE 4.14Å; K208-D319 IonicContact NZ-OD1 2.75Å; K208-D319 PolarHBondContact NZ-OD1 3.46Å
209	V	81.5	Confident	77	Confident	9 Å²	9	36.5 Å²	36.5	6%	0.055	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	128.5	173.7	-171.5	0	0	0	0	108	S191 K192 K194 V207 R250 W251	S191-V209 CarbonylContact C-O 3.59Å; S191-V209 WeakPolarHBondContact CA-O 3.32Å; K192-V209 HydrophobicContact CB-CB 4.39Å; K192-V209 PolarHBondContact N-O 2.8Å; K192-V209 WeakPolarHBondContact O-CB 3.42Å; K192-V209 WeakPolarHBondContact O-CG2 3.36Å; K192-V209 PolarHBondContact O-N 3.31Å; K194-V209 HydrophobicContact CD-CG2 4.17Å; V207-V209 HydrophobicContact CG1-CG2 4.35Å; V207-V209 PolarHBondContact O-N 2.82Å; V209-R250 HydrophobicContact CG1-CB 4.46Å; V209-W251 CarbonylContact C-O 3.51Å; V209-W251 VanDerWaalsContact CA-O 3.3Å; V209-W251 WeakPolarHBondContact CA-O 3.44Å
210	I	74	Confident	75.6	Confident	13 Å²	13	42.7 Å²	42.7	7%	0.067	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	123.5	-176.9	-53.4	174.2	0	0	0	107.9	L88 K208 F215 R250 W251	L88-I210 HydrophobicContact CD1-CG2 4.38Å; K208-I210 HydrophobicContact CG-CD1 4.26Å; K208-I210 HydrophobicContact CG-CG1 4Å; I210-F215 HydrophobicContact CG2-CE2 3.66Å; I210-F215 HydrophobicContact CG2-CZ 3.55Å; I210-R250 WeakPolarHBondContact O-CA 3.49Å; I210-W251 HydrophobicContact CB-CB 4.4Å; I210-W251 PolarHBondContact N-O 2.9Å; I210-W251 PolarHBondContact O-N 2.86Å
211	D	70.1	Confident	74	Confident	19 Å²	19	50.7 Å²	50.7	10%	0.102	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	126.2	175.5	-155.4	-56.2	0	0	0	111.6	F190 T213 F215 R250	F190-D211 HydrophobicContact CB-CB 4.25Å; F190-D211 PolarHBondContact O-N 2.78Å; F190-D211 VanDerWaalsContact O-N 3.11Å; D211-T213 VanDerWaalsContact OD1-CB 3.3Å; D211-T213 WeakPolarHBondContact OD1-CB 3.49Å; D211-T213 VanDerWaalsContact OD1-CG2 3.27Å; D211-T213 WeakPolarHBondContact OD1-CG2 3.41Å; D211-T213 PolarHBondContact OD1-N 2.9Å; D211-T213 PolarHBondContact OD1-OG1 2.95Å; D211-F215 WeakPolarHBondContact O-CE2 3.46Å; D211-F215 VanDerWaalsContact O-CZ 3.26Å; D211-F215 WeakPolarHBondContact O-CZ 3.3Å; D211-R250 IonicContact OD2-CZ 2.94Å; D211-R250 IonicContact OD2-NE 3.49Å; D211-R250 PolarHBondContact OD2-NE 3.05Å; D211-R250 IonicContact OD2-NH2 2.68Å; D211-R250 PolarHBondContact OD2-NH2 3.4Å
212	R	68	Low	72.1	Confident	14 Å²	14	55.2 Å²	55.2	5%	0.053	26%	0.257	C	S	.	.			trans	-96.3	-4.5	180	-60.9	-165.1	139.5	-167.3	-8.7	114.1	K214 F215 E246 Q249 W251	R212-K214 PolarHBondContact O-N 2.83Å; R212-K214 VanDerWaalsContact O-N 3.09Å; R212-F215 HydrophobicContact CB-CD2 3.83Å; R212-F215 HydrophobicContact CB-CE2 4.37Å; R212-F215 HydrophobicContact CB-CG 4.5Å; R212-F215 HydrophobicContact CG-CD2 3.73Å; R212-F215 HydrophobicContact CG-CE2 3.97Å; R212-F215 PolarHBondContact O-N 2.98Å; R212-E246 IonicContact CZ-OE1 3.94Å; R212-E246 IonicContact NH1-OE1 2.72Å; R212-E246 PolarHBondContact NH1-OE1 3.08Å; R212-Q249 WeakPolarHBondContact CA-O 3.39Å; R212-Q249 WeakPolarHBondContact CB-O 3.35Å; R212-Q249 PolarHBondContact N-O 2.8Å; R212-W251 VanDerWaalsContact CD-CD1 3.48Å; R212-W251 VanDerWaalsContact CZ-CD1 3.47Å; R212-W251 VanDerWaalsContact NH2-CZ2 3.27Å
213	T	64.9	Low	70.4	Confident	99 Å²	99	53 Å²	53	61%	0.607	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-25.2	-174.6	51	0	0	0	0	114	D211 Q249	D211-T213 VanDerWaalsContact OD1-CB 3.3Å; D211-T213 WeakPolarHBondContact OD1-CB 3.49Å; D211-T213 VanDerWaalsContact OD1-CG2 3.27Å; D211-T213 WeakPolarHBondContact OD1-CG2 3.41Å; D211-T213 PolarHBondContact OD1-N 2.9Å; D211-T213 PolarHBondContact OD1-OG1 2.95Å; T213-Q249 HydrophobicContact CG2-CB 3.62Å; T213-Q249 HydrophobicContact CG2-CG 4.07Å
214	K	58.7	Low	68.8	Low	107 Å²	107	54.8 Å²	54.8	47%	0.465	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-2.4	175.5	-64.8	-168.7	176.9	-169.5	0	115	D89 F190 R212	D89-K214 IonicContact OD1-NZ 2.78Å; D89-K214 PolarHBondContact OD1-NZ 3.4Å; F190-K214 HydrophobicContact CD1-CD 4.24Å; F190-K214 HydrophobicContact CE1-CD 3.89Å; F190-K214 HydrophobicContact CZ-CD 4.26Å; R212-K214 PolarHBondContact O-N 2.83Å; R212-K214 VanDerWaalsContact O-N 3.09Å
215	F	60.2	Low	66.9	Low	21 Å²	21	54.9 Å²	54.9	9%	0.092	26%	0.26	C	S	.	.			trans	-85.7	124	-173.7	-66.3	-15	0	0	0	111.7	L88 I210 D211 R212 T219 R220 L223	L88-F215 HydrophobicContact CB-CE1 4.21Å; L88-F215 HydrophobicContact CD1-CZ 4.13Å; L88-F215 HydrophobicContact CD2-CE1 4.02Å; L88-F215 HydrophobicContact CD2-CZ 4.08Å; L88-F215 HydrophobicContact CG-CE1 4.5Å; I210-F215 HydrophobicContact CG2-CE2 3.66Å; I210-F215 HydrophobicContact CG2-CZ 3.55Å; D211-F215 WeakPolarHBondContact O-CE2 3.46Å; D211-F215 VanDerWaalsContact O-CZ 3.26Å; D211-F215 WeakPolarHBondContact O-CZ 3.3Å; R212-F215 HydrophobicContact CB-CD2 3.83Å; R212-F215 HydrophobicContact CB-CE2 4.37Å; R212-F215 HydrophobicContact CB-CG 4.5Å; R212-F215 HydrophobicContact CG-CD2 3.73Å; R212-F215 HydrophobicContact CG-CE2 3.97Å; R212-F215 PolarHBondContact O-N 2.98Å; F215-T219 HydrophobicContact CB-CG2 3.89Å; F215-T219 HydrophobicContact CD1-CG2 3.68Å; F215-T219 HydrophobicContact CD2-CG2 3.93Å; F215-T219 HydrophobicContact CE1-CG2 4.19Å; F215-T219 HydrophobicContact CE2-CG2 4.44Å; F215-T219 HydrophobicContact CG-CG2 3.55Å; F215-R220 HydrophobicContact CB-CG 4.18Å; F215-L223 HydrophobicContact CD2-CD1 3.44Å; F215-L223 VanDerWaalsContact CD2-CD1 3.44Å; F215-L223 HydrophobicContact CE2-CD1 3.31Å; F215-L223 HydrophobicContact CG-CD1 4.47Å; F215-L223 HydrophobicContact CZ-CD1 4.24Å
216	D	58.6	Low	65	Low	61 Å²	61	57.7 Å²	57.7	33%	0.326	27%	0.273	S	S	.	.			trans	-67.8	173.6	168.9	85	-41.6	0	0	0	111.5	K218 T219 R220	D216-K218 VanDerWaalsContact C-N 3.27Å; D216-K218 PolarHBondContact O-N 2.89Å; D216-K218 WeakPolarHBondContact OD2-CB 3.45Å; D216-K218 PolarHBondContact OD2-N 2.61Å; D216-T219 PolarHBondContact O-N 2.79Å; D216-T219 WeakPolarHBondContact OD1-CB 3.34Å; D216-T219 PolarHBondContact OD1-N 2.86Å; D216-T219 PolarHBondContact OD1-OG1 2.9Å; D216-R220 WeakPolarHBondContact O-CG 3.49Å; D216-R220 PolarHBondContact O-N 2.87Å
217	E	61	Low	63.5	Low	113 Å²	113	58.1 Å²	58.1	53%	0.528	27%	0.274	S	S	.	.	H	α-helix	trans	-65.4	-32.2	-178.1	-154.4	-169.3	144.7	0	0	112.4	R220 R221	E217-R220 PolarHBondContact O-N 2.95Å; E217-R221 WeakPolarHBondContact O-CG 3.46Å; E217-R221 PolarHBondContact O-N 2.88Å; E217-R221 IonicContact OE1-CZ 3.5Å; E217-R221 VanDerWaalsContact OE1-CZ 3.27Å; E217-R221 IonicContact OE1-NE 2.69Å; E217-R221 PolarHBondContact OE1-NE 3.09Å; E217-R221 VanDerWaalsContact OE1-NE 3.08Å; E217-R221 IonicContact OE1-NH2 2.66Å; E217-R221 PolarHBondContact OE1-NH2 2.83Å
218	K	55.2	Low	62	Low	117 Å²	117	62.2 Å²	62.2	51%	0.509	30%	0.299	S	S	.	.	H	α-helix	trans	-64.4	-48.6	176.9	-166.6	177.2	175.3	-175.4	0	111	Y91 D216 R220 R221 L222	Y91-K218 WeakPolarHBondContact OH-CD 3.27Å; Y91-K218 VanDerWaalsContact OH-CE 3.26Å; Y91-K218 WeakPolarHBondContact OH-CE 3.3Å; D216-K218 VanDerWaalsContact C-N 3.27Å; D216-K218 PolarHBondContact O-N 2.89Å; D216-K218 WeakPolarHBondContact OD2-CB 3.45Å; D216-K218 PolarHBondContact OD2-N 2.61Å; K218-R220 VanDerWaalsContact C-N 3.32Å; K218-R220 PolarHBondContact O-N 3.11Å; K218-R221 PolarHBondContact O-N 2.87Å; K218-L222 WeakPolarHBondContact O-CG 3.43Å; K218-L222 PolarHBondContact O-N 2.87Å
219	T	53.4	Low	60.8	Low	8 Å²	8	62.1 Å²	62.1	5%	0.049	30%	0.299	C	S	.	.	H	α-helix	trans	-58.7	-43.6	174	-53.7	0	0	0	0	111.2	L88 Y91 F215 D216 R221 L222 L223	L88-T219 HydrophobicContact CD2-CG2 4.46Å; Y91-T219 VanDerWaalsContact CD1-OG1 3.31Å; Y91-T219 WeakPolarHBondContact CD1-OG1 3.49Å; Y91-T219 VanDerWaalsContact CE1-OG1 3.22Å; Y91-T219 WeakPolarHBondContact CE1-OG1 3.41Å; F215-T219 HydrophobicContact CB-CG2 3.89Å; F215-T219 HydrophobicContact CD1-CG2 3.68Å; F215-T219 HydrophobicContact CD2-CG2 3.93Å; F215-T219 HydrophobicContact CE1-CG2 4.19Å; F215-T219 HydrophobicContact CE2-CG2 4.44Å; F215-T219 HydrophobicContact CG-CG2 3.55Å; D216-T219 PolarHBondContact O-N 2.79Å; D216-T219 WeakPolarHBondContact OD1-CB 3.34Å; D216-T219 PolarHBondContact OD1-N 2.86Å; D216-T219 PolarHBondContact OD1-OG1 2.9Å; T219-R221 VanDerWaalsContact C-N 3.34Å; T219-R221 PolarHBondContact O-N 3.49Å; T219-L222 PolarHBondContact O-N 2.97Å; T219-L223 HydrophobicContact CG2-CD1 4.01Å; T219-L223 HydrophobicContact CG2-CG 4.39Å; T219-L223 WeakPolarHBondContact O-CG 3.35Å; T219-L223 PolarHBondContact O-N 2.75Å
220	R	61.2	Low	60	Low	131 Å²	131	63 Å²	63	49%	0.494	30%	0.303	S	S	.	.	H	α-helix	trans	-61.8	-39.4	176.8	-75	174.8	55.4	-158.1	-8.3	112.8	F215 D216 E217 K218 S224	F215-R220 HydrophobicContact CB-CG 4.18Å; D216-R220 WeakPolarHBondContact O-CG 3.49Å; D216-R220 PolarHBondContact O-N 2.87Å; E217-R220 PolarHBondContact O-N 2.95Å; K218-R220 VanDerWaalsContact C-N 3.32Å; K218-R220 PolarHBondContact O-N 3.11Å; R220-S224 WeakPolarHBondContact O-CB 2.98Å; R220-S224 PolarHBondContact O-N 3.39Å; R220-S224 PolarHBondContact O-OG 2.8Å
221	R	59.8	Low	59.7	Low	169 Å²	169	66.9 Å²	66.9	64%	0.638	32%	0.321	S	S	*	.	H	α-helix	trans	-67.1	-45.7	174.7	-70.9	175.4	-172.7	-161.8	5	110.9	E217 K218 T219 S224 Q225	E217-R221 WeakPolarHBondContact O-CG 3.46Å; E217-R221 PolarHBondContact O-N 2.88Å; E217-R221 IonicContact OE1-CZ 3.5Å; E217-R221 VanDerWaalsContact OE1-CZ 3.27Å; E217-R221 IonicContact OE1-NE 2.69Å; E217-R221 PolarHBondContact OE1-NE 3.09Å; E217-R221 VanDerWaalsContact OE1-NE 3.08Å; E217-R221 IonicContact OE1-NH2 2.66Å; E217-R221 PolarHBondContact OE1-NH2 2.83Å; K218-R221 PolarHBondContact O-N 2.87Å; T219-R221 VanDerWaalsContact C-N 3.34Å; T219-R221 PolarHBondContact O-N 3.49Å; R221-S224 WeakPolarHBondContact O-CB 2.96Å; R221-S224 PolarHBondContact O-N 2.89Å; R221-S224 VanDerWaalsContact O-N 3.1Å; R221-Q225 PolarHBondContact O-N 2.8Å
222	L	52.6	Low	60	Low	95 Å²	95	73.4 Å²	73.4	50%	0.497	34%	0.344	S	S	.	.	H	α-helix	trans	-59.4	-47.9	177.3	-71.9	170.6	0	0	0	112.7	K218 T219 S224 Q225 E226	K218-L222 WeakPolarHBondContact O-CG 3.43Å; K218-L222 PolarHBondContact O-N 2.87Å; T219-L222 PolarHBondContact O-N 2.97Å; L222-S224 PolarHBondContact O-N 3.01Å; L222-Q225 WeakPolarHBondContact O-CB 3.39Å; L222-Q225 PolarHBondContact O-N 3.49Å; L222-Q225 VanDerWaalsContact O-N 3.08Å; L222-E226 PolarHBondContact O-N 2.73Å
223	L	56	Low	60.5	Low	13 Å²	13	73.7 Å²	73.7	7%	0.068	35%	0.347	C	S	.	.	H	α-helix	trans	-62.4	-29.5	174.9	-71.2	169.2	0	0	0	113	F215 T219 E226 L227 W251	F215-L223 HydrophobicContact CD2-CD1 3.44Å; F215-L223 VanDerWaalsContact CD2-CD1 3.44Å; F215-L223 HydrophobicContact CE2-CD1 3.31Å; F215-L223 HydrophobicContact CG-CD1 4.47Å; F215-L223 HydrophobicContact CZ-CD1 4.24Å; T219-L223 HydrophobicContact CG2-CD1 4.01Å; T219-L223 HydrophobicContact CG2-CG 4.39Å; T219-L223 WeakPolarHBondContact O-CG 3.35Å; T219-L223 PolarHBondContact O-N 2.75Å; L223-E226 WeakPolarHBondContact CD2-OE2 3.4Å; L223-L227 WeakPolarHBondContact O-CB 3.21Å; L223-L227 PolarHBondContact O-N 3.32Å; L223-L227 VanDerWaalsContact O-N 3.14Å; L223-W251 HydrophobicContact CB-CZ3 4.5Å; L223-W251 WeakPolarHBondContact O-CZ3 3.43Å
224	S	59.5	Low	61.4	Low	50 Å²	50	71.2 Å²	71.2	35%	0.35	33%	0.328	S	S	.	.	H	α-helix	trans	-76.6	-31.1	175.5	-53.6	0	0	0	0	111.5	R220 R221 L222 L227 T228	R220-S224 WeakPolarHBondContact O-CB 2.98Å; R220-S224 PolarHBondContact O-N 3.39Å; R220-S224 PolarHBondContact O-OG 2.8Å; R221-S224 WeakPolarHBondContact O-CB 2.96Å; R221-S224 PolarHBondContact O-N 2.89Å; R221-S224 VanDerWaalsContact O-N 3.1Å; L222-S224 PolarHBondContact O-N 3.01Å; S224-L227 WeakPolarHBondContact O-CB 3.42Å; S224-T228 PolarHBondContact O-N 2.78Å; S224-T228 PolarHBondContact O-OG1 3.28Å
225	Q	54.4	Low	62.8	Low	93 Å²	93	66.6 Å²	66.6	44%	0.435	31%	0.308	S	S	.	.	H	α-helix	trans	-71.6	-42.1	171.3	-172.7	60.6	59.9	0	0	111.8	R221 L222 L227 T228 N229	R221-Q225 PolarHBondContact O-N 2.8Å; L222-Q225 WeakPolarHBondContact O-CB 3.39Å; L222-Q225 PolarHBondContact O-N 3.49Å; L222-Q225 VanDerWaalsContact O-N 3.08Å; Q225-L227 VanDerWaalsContact C-N 3.26Å; Q225-L227 PolarHBondContact O-N 2.9Å; Q225-T228 WeakPolarHBondContact O-CB 3.33Å; Q225-T228 PolarHBondContact O-N 3.47Å; Q225-T228 VanDerWaalsContact O-N 3.12Å; Q225-N229 PolarHBondContact NE2-OD1 3.33Å; Q225-N229 PolarHBondContact O-N 3.34Å; Q225-N229 PolarHBondContact O-ND2 3.25Å; Q225-N229 PolarHBondContact O-OD1 2.82Å
226	E	51.7	Low	64.1	Low	59 Å²	59	66.1 Å²	66.1	28%	0.276	31%	0.307	S	S	.	.	H	α-helix	trans	-54.5	-44.8	172.1	-172.5	-168.7	166.9	0	0	110.7	L222 L223 T228 N229 M230	L222-E226 PolarHBondContact O-N 2.73Å; L223-E226 WeakPolarHBondContact CD2-OE2 3.4Å; E226-T228 VanDerWaalsContact C-N 3.32Å; E226-T228 PolarHBondContact O-N 3.35Å; E226-N229 CarbonylContact O-C 3.51Å; E226-N229 PolarHBondContact O-N 3.45Å; E226-M230 PolarHBondContact O-N 2.77Å
227	L	60.3	Low	65.7	Low	16 Å²	16	63.5 Å²	63.5	8%	0.084	29%	0.293	C	S	.	.	H	α-helix	trans	-57.4	-42.5	176.3	-167.5	77	0	0	0	112.9	L223 S224 Q225 N229 M230 A244 W251 P477 K478	L223-L227 WeakPolarHBondContact O-CB 3.21Å; L223-L227 PolarHBondContact O-N 3.32Å; L223-L227 VanDerWaalsContact O-N 3.14Å; S224-L227 WeakPolarHBondContact O-CB 3.42Å; Q225-L227 VanDerWaalsContact C-N 3.26Å; Q225-L227 PolarHBondContact O-N 2.9Å; L227-N229 VanDerWaalsContact C-N 3.32Å; L227-M230 HydrophobicContact CD1-CE 4.34Å; L227-M230 HydrophobicContact CD1-SD 3.62Å; L227-M230 HydrophobicContact CG-SD 4.44Å; L227-M230 WeakPolarHBondContact O-CB 3.5Å; L227-A244 HydrophobicContact CD1-CB 3.2Å; L227-A244 HydrophobicContact CG-CB 4.47Å; L227-W251 HydrophobicContact CB-CH2 3.94Å; L227-W251 HydrophobicContact CB-CZ3 3.97Å; L227-W251 HydrophobicContact CD1-CH2 4.21Å; L227-W251 HydrophobicContact CD1-CZ3 3.86Å; L227-W251 HydrophobicContact CD2-CH2 3.72Å; L227-W251 HydrophobicContact CD2-CZ2 4.5Å; L227-W251 HydrophobicContact CD2-CZ3 4.23Å; L227-W251 HydrophobicContact CG-CH2 4.15Å; L227-W251 HydrophobicContact CG-CZ3 4.22Å; L227-P477 HydrophobicContact CD1-CB 4.4Å; L227-P477 HydrophobicContact CD1-CG 3.75Å; L227-P477 HydrophobicContact CD2-CG 4.09Å; L227-P477 HydrophobicContact CG-CG 3.57Å; L227-K478 HydrophobicContact CD2-CD 4.34Å; L227-K478 HydrophobicContact CD2-CG 3.87Å
228	T	56.8	Low	67.1	Low	86 Å²	86	58.3 Å²	58.3	53%	0.528	27%	0.268	S	S	.	.	H	α-helix	trans	-68.2	-33.8	175.5	-53.1	0	0	0	0	111.6	S224 Q225 E226	S224-T228 PolarHBondContact O-N 2.78Å; S224-T228 PolarHBondContact O-OG1 3.28Å; Q225-T228 WeakPolarHBondContact O-CB 3.33Å; Q225-T228 PolarHBondContact O-N 3.47Å; Q225-T228 VanDerWaalsContact O-N 3.12Å; E226-T228 VanDerWaalsContact C-N 3.32Å; E226-T228 PolarHBondContact O-N 3.35Å
229	N	59.1	Low	68.6	Low	12 Å²	12	53.5 Å²	53.5	6%	0.064	25%	0.248	C	C	.	.	H	α-helix	trans	-78.6	-16.5	-178.5	-63.5	-16.1	0	0	0	113.6	Q225 E226 L227 E231 R232 L233 C325	Q225-N229 PolarHBondContact NE2-OD1 3.33Å; Q225-N229 PolarHBondContact O-N 3.34Å; Q225-N229 PolarHBondContact O-ND2 3.25Å; Q225-N229 PolarHBondContact O-OD1 2.82Å; E226-N229 CarbonylContact O-C 3.51Å; E226-N229 PolarHBondContact O-N 3.45Å; L227-N229 VanDerWaalsContact C-N 3.32Å; N229-E231 PolarHBondContact O-N 2.87Å; N229-R232 WeakPolarHBondContact O-CB 3.4Å; N229-R232 PolarHBondContact O-N 2.99Å; N229-L233 PolarHBondContact O-N 3.43Å; N229-C325 PolarHBondContact ND2-SG 2.84Å
230	M	65.4	Low	70.2	Confident	26 Å²	26	54.7 Å²	54.7	13%	0.128	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-28	178.6	-80.3	171.9	34	0	0	114.9	E226 L227 A241 L253 P477	E226-M230 PolarHBondContact O-N 2.77Å; L227-M230 HydrophobicContact CD1-CE 4.34Å; L227-M230 HydrophobicContact CD1-SD 3.62Å; L227-M230 HydrophobicContact CG-SD 4.44Å; L227-M230 WeakPolarHBondContact O-CB 3.5Å; M230-A241 HydrophobicContact CE-CB 3.47Å; M230-A241 VanDerWaalsContact CE-CB 3.47Å; M230-A241 HydrophobicContact CG-CB 4.09Å; M230-A241 HydrophobicContact SD-CB 3.91Å; M230-L253 HydrophobicContact CE-CD1 3.96Å; M230-L253 HydrophobicContact SD-CD1 3.54Å; M230-L253 VanDerWaalsContact SD-CD1 3.54Å; M230-P477 HydrophobicContact CE-CB 3.57Å; M230-P477 HydrophobicContact CE-CG 3.97Å
231	E	67.4	Low	71.4	Confident	95 Å²	95	49.2 Å²	49.2	44%	0.444	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-36.2	176	-66.7	-166.7	148.4	0	0	112.9	N229 L233 H234 R486	N229-E231 PolarHBondContact O-N 2.87Å; E231-L233 VanDerWaalsContact C-N 3.29Å; E231-L233 PolarHBondContact O-N 3.38Å; E231-H234 WeakPolarHBondContact O-CB 3.46Å; E231-H234 PolarHBondContact O-N 3.06Å; E231-R486 VanDerWaalsContact CD-NH2 3.27Å; E231-R486 IonicContact OE1-CZ 3.49Å; E231-R486 IonicContact OE1-NE 3.99Å; E231-R486 IonicContact OE1-NH2 2.81Å; E231-R486 PolarHBondContact OE1-NH2 3.46Å
232	R	74.9	Confident	72.8	Confident	157 Å²	157	41.3 Å²	41.3	59%	0.592	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-29.6	179.6	-65.1	-177.8	179.5	174.5	-2	112.1	N229 H234 H291 N295	N229-R232 WeakPolarHBondContact O-CB 3.4Å; N229-R232 PolarHBondContact O-N 2.99Å; R232-H234 PolarHBondContact O-N 2.79Å; R232-H291 PolarHBondContact O-CE1 3.13Å; R232-H291 PolarHBondContact O-NE2 3.44Å; R232-N295 PolarHBondContact O-ND2 2.83Å
233	L	80.2	Confident	74.6	Confident	20 Å²	20	36.8 Å²	36.8	11%	0.105	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	21.5	178.4	-54.7	-170.5	0	0	0	113.9	N229 E231 H235 H291 L292 N295 V297	N229-L233 PolarHBondContact O-N 3.43Å; E231-L233 VanDerWaalsContact C-N 3.29Å; E231-L233 PolarHBondContact O-N 3.38Å; L233-H235 PolarHBondContact O-N 3.36Å; L233-H291 WeakPolarHBondContact CA-NE2 3.37Å; L233-L292 HydrophobicContact CD1-CD2 3.98Å; L233-L292 HydrophobicContact CD2-CD2 3.75Å; L233-L292 HydrophobicContact CG-CD2 4.32Å; L233-N295 HydrophobicContact CD2-CB 4.04Å; L233-V297 HydrophobicContact CD1-CG1 4.27Å; L233-V297 HydrophobicContact CD1-CG2 4.46Å; L233-V297 HydrophobicContact CD2-CB 4.12Å; L233-V297 HydrophobicContact CD2-CG2 3.88Å
234	H	83.7	Confident	76	Confident	47 Å²	47	36.3 Å²	36.3	22%	0.218	18%	0.179	C	C	.	.			trans	-74.2	109.9	174.7	175.4	-156.5	0	0	0	110.6	E231 R232 R240 H291 H441	E231-H234 WeakPolarHBondContact O-CB 3.46Å; E231-H234 PolarHBondContact O-N 3.06Å; R232-H234 PolarHBondContact O-N 2.79Å; H234-R240 PolarHBondContact CD2-NH1 3.29Å; H234-R240 PolarHBondContact CE1-NH1 3.29Å; H234-R240 PolarHBondContact ND1-NH1 2.87Å; H234-R240 PolarHBondContact NE2-NH1 2.88Å; H234-R240 VanDerWaalsContact NE2-NH1 3.12Å; H234-H291 PolarHBondContact O-CE1 3Å; H234-H291 PolarHBondContact O-NE2 2.96Å; H234-H441 AromaticContact CE1-CE1 3.78Å; H234-H441 AromaticContact CE1-ND1 3.67Å; H234-H441 AromaticContact ND1-CE1 3.88Å; H234-H441 AromaticContact NE2-CE1 3.93Å; H234-H441 AromaticContact NE2-ND1 3.74Å; H234-H441 PolarHBondContact O-CE1 2.59Å; H234-H441 VanDerWaalsContact O-CE1 3.29Å
235	H	87.4	Confident	77.3	Confident	10 Å²	10	35 Å²	35	5%	0.046	17%	0.168	C	C	.	.			trans	-142.6	147.6	174.2	-175.1	-94.9	0	0	0	111	L233 H237 I238 Q284 S287 A288 H291	L233-H235 PolarHBondContact O-N 3.36Å; H235-H237 WeakPolarHBondContact CE1-CB 3.35Å; H235-H237 AromaticContact CE1-CD2 3.05Å; H235-H237 PolarHBondContact CE1-CD2 3.12Å; H235-H237 AromaticContact CE1-CG 3.48Å; H235-H237 VanDerWaalsContact CE1-CG 3.48Å; H235-H237 PolarHBondContact ND1-N 3.46Å; H235-H237 PolarHBondContact O-N 2.94Å; H235-I238 HydrophobicContact CB-CB 4.08Å; H235-I238 HydrophobicContact CB-CD1 3.71Å; H235-I238 HydrophobicContact CB-CG1 3.85Å; H235-I238 PolarHBondContact O-N 3.46Å; H235-I238 VanDerWaalsContact O-N 3.11Å; H235-Q284 PolarHBondContact CE1-O 2.69Å; H235-Q284 VanDerWaalsContact CE1-O 3.29Å; H235-S287 WeakPolarHBondContact CE1-CB 3.36Å; H235-S287 PolarHBondContact CE1-OG 2.93Å; H235-S287 WeakPolarHBondContact NE2-CB 3.4Å; H235-S287 PolarHBondContact NE2-O 2.72Å; H235-S287 PolarHBondContact NE2-OG 2.73Å; H235-A288 PolarHBondContact CE1-N 3.36Å; H235-H291 HydrophobicContact CB-CB 4.38Å; H235-H291 VanDerWaalsContact CD2-CB 3.48Å; H235-H291 WeakPolarHBondContact CD2-CB 3.22Å; H235-H291 AromaticContact CD2-CG 3.66Å; H235-H291 AromaticContact CD2-ND1 3.99Å
236	P	88.5	Confident	78.5	Confident	10 Å²	10	35 Å²	35	7%	0.065	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-34.9	-179.7	-26.2	35.6	0	0	0	113.7	K316	P236-K316 WeakPolarHBondContact O-CE 3.47Å; P236-K316 PolarHBondContact O-NZ 3.04Å; P236-K316 VanDerWaalsContact O-NZ 3.15Å
237	H	91.9	Very high	79.9	Confident	7 Å²	7	35.2 Å²	35.2	3%	0.032	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	23.9	-178.7	-55.4	-67.3	0	0	0	113.1	H235 Q284 A288 Y314 V315 K316 L317	H235-H237 WeakPolarHBondContact CE1-CB 3.35Å; H235-H237 AromaticContact CE1-CD2 3.05Å; H235-H237 PolarHBondContact CE1-CD2 3.12Å; H235-H237 AromaticContact CE1-CG 3.48Å; H235-H237 VanDerWaalsContact CE1-CG 3.48Å; H235-H237 PolarHBondContact ND1-N 3.46Å; H235-H237 PolarHBondContact O-N 2.94Å; H237-Q284 HydrophobicContact CB-CB 4.18Å; H237-Q284 WeakPolarHBondContact CB-O 3.39Å; H237-Q284 WeakPolarHBondContact CE1-CG 3.48Å; H237-Q284 PolarHBondContact CE1-OE1 3.24Å; H237-Q284 VanDerWaalsContact CE1-OE1 3.24Å; H237-Q284 PolarHBondContact ND1-OE1 3.09Å; H237-Q284 VanDerWaalsContact ND1-OE1 3.09Å; H237-A288 HydrophobicContact CB-CB 4.24Å; H237-Y314 AromaticContact CE1-CD1 3.79Å; H237-Y314 AromaticContact CE1-CE1 3.97Å; H237-V315 PolarHBondContact ND1-O 2.81Å; H237-K316 CarbonylContact O-C 3.53Å; H237-K316 WeakPolarHBondContact O-CA 3.41Å; H237-L317 PolarHBondContact O-N 2.87Å
238	I	89.5	Confident	80.8	Confident	3 Å²	3	42.2 Å²	42.2	2%	0.015	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-117.1	141	169.8	-69.7	178.7	0	0	0	110	H235 R240 A288 L292 K316 L317 F320	H235-I238 HydrophobicContact CB-CB 4.08Å; H235-I238 HydrophobicContact CB-CD1 3.71Å; H235-I238 HydrophobicContact CB-CG1 3.85Å; H235-I238 PolarHBondContact O-N 3.46Å; H235-I238 VanDerWaalsContact O-N 3.11Å; I238-R240 PolarHBondContact O-N 2.95Å; I238-A288 HydrophobicContact CD1-CB 4.31Å; I238-A288 HydrophobicContact CG1-CB 3.82Å; I238-L292 HydrophobicContact CD1-CD1 4.17Å; I238-L292 HydrophobicContact CD1-CD2 4.03Å; I238-L292 HydrophobicContact CD1-CG 3.86Å; I238-K316 PolarHBondContact O-NZ 3.23Å; I238-K316 VanDerWaalsContact O-NZ 3.14Å; I238-L317 CarbonylContact C-O 3.52Å; I238-L317 WeakPolarHBondContact CA-O 3.34Å; I238-F320 HydrophobicContact CD1-CZ 4.17Å; I238-F320 HydrophobicContact CG1-CZ 4.29Å; I238-F320 HydrophobicContact CG2-CE2 3.59Å; I238-F320 HydrophobicContact CG2-CZ 3.53Å
239	I	88	Confident	81.6	Confident	16 Å²	16	43.9 Å²	43.9	8%	0.082	21%	0.211	C	C	.	.			trans	-64.7	113.1	170.6	-69.9	-66.5	0	0	0	108.7	M255 E256 A258 F308 K316 L317	I239-M255 HydrophobicContact CG2-CB 4.26Å; I239-E256 HydrophobicContact CG2-CB 4.31Å; I239-A258 HydrophobicContact CD1-CB 4.2Å; I239-F308 HydrophobicContact CD1-CB 4.21Å; I239-F308 HydrophobicContact CD1-CD2 4.15Å; I239-F308 HydrophobicContact CD1-CG 4.31Å; I239-F308 HydrophobicContact CG1-CD2 3.85Å; I239-F308 HydrophobicContact CG1-CE2 4.46Å; I239-K316 HydrophobicContact CD1-CB 3.74Å; I239-K316 HydrophobicContact CD1-CD 4Å; I239-K316 HydrophobicContact CG1-CB 3.95Å; I239-L317 PolarHBondContact N-O 2.99Å
240	R	86.4	Confident	82.6	Confident	34 Å²	34	49.2 Å²	49.2	13%	0.128	23%	0.23	C	C	.	.			trans	-75.7	134	-173.3	-171.3	174.9	177.5	85.7	-1.2	111.7	H234 I238 Y242 M255 E256 S490	H234-R240 PolarHBondContact CD2-NH1 3.29Å; H234-R240 PolarHBondContact CE1-NH1 3.29Å; H234-R240 PolarHBondContact ND1-NH1 2.87Å; H234-R240 PolarHBondContact NE2-NH1 2.88Å; H234-R240 VanDerWaalsContact NE2-NH1 3.12Å; I238-R240 PolarHBondContact O-N 2.95Å; R240-Y242 HydrophobicContact CB-CE1 4.15Å; R240-Y242 HydrophobicContact CG-CD1 4.13Å; R240-Y242 HydrophobicContact CG-CE1 3.95Å; R240-M255 CarbonylContact O-C 3.57Å; R240-M255 VanDerWaalsContact O-CA 3.31Å; R240-M255 WeakPolarHBondContact O-CA 3.39Å; R240-E256 HydrophobicContact CB-CB 4.47Å; R240-E256 PolarHBondContact O-N 3.1Å; R240-S490 WeakPolarHBondContact CD-OG 3.26Å; R240-S490 PolarHBondContact NE-OG 2.91Å
241	A	86.9	Confident	83.3	Confident	16 Å²	16	48.5 Å²	48.5	13%	0.132	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	126.6	171.3	0	0	0	0	0	111.4	M230 L253 M255 R486	M230-A241 HydrophobicContact CE-CB 3.47Å; M230-A241 VanDerWaalsContact CE-CB 3.47Å; M230-A241 HydrophobicContact CG-CB 4.09Å; M230-A241 HydrophobicContact SD-CB 3.91Å; A241-L253 HydrophobicContact CB-CD1 4.09Å; A241-M255 HydrophobicContact CB-CG 4.33Å; A241-R486 PolarHBondContact O-NH1 3.4Å
242	Y	88.8	Confident	84.2	Confident	2 Å²	2	45 Å²	45	1%	0.008	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	-57.4	-167.8	-59.4	-51.3	0	0	0	113.3	V205 R240 V254 M255 E256 R486 I487	V205-Y242 HydrophobicContact CG1-CD2 4.07Å; V205-Y242 HydrophobicContact CG1-CE2 3.96Å; R240-Y242 HydrophobicContact CB-CE1 4.15Å; R240-Y242 HydrophobicContact CG-CD1 4.13Å; R240-Y242 HydrophobicContact CG-CE1 3.95Å; Y242-V254 HydrophobicContact CD2-CG1 4.28Å; Y242-V254 PolarHBondContact N-O 2.93Å; Y242-M255 VanDerWaalsContact CE2-C 3.42Å; Y242-E256 HydrophobicContact CE2-CB 4.19Å; Y242-E256 VanDerWaalsContact CE2-N 3.27Å; Y242-E256 WeakPolarHBondContact OH-CB 3.39Å; Y242-R486 HydrophobicContact CD1-CB 3.88Å; Y242-R486 WeakPolarHBondContact CE1-O 3.44Å; Y242-R486 WeakPolarHBondContact O-CD 3.41Å; Y242-I487 HydrophobicContact CD1-CG1 3.81Å; Y242-I487 HydrophobicContact CD2-CD1 4.16Å; Y242-I487 HydrophobicContact CD2-CG1 3.48Å; Y242-I487 VanDerWaalsContact CD2-CG1 3.48Å; Y242-I487 HydrophobicContact CE1-CG1 4.16Å; Y242-I487 HydrophobicContact CE2-CG1 3.85Å; Y242-I487 HydrophobicContact CG-CD1 4.3Å; Y242-I487 HydrophobicContact CG-CG1 3.46Å; Y242-I487 VanDerWaalsContact CG-CG1 3.46Å
243	E	89	Confident	84.7	Confident	1 Å²	1	38.5 Å²	38.5	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	153.8	-174.3	-165.3	175.2	161.3	0	0	108.9	Y179 H245 V254 P477 K480	Y179-E243 HydrophobicContact CE2-CB 4.46Å; Y179-E243 WeakPolarHBondContact CE2-OE2 3.46Å; Y179-E243 PolarHBondContact OH-OE2 3.21Å; Y179-E243 VanDerWaalsContact OH-OE2 3.09Å; E243-H245 IonicContact OE1-CE1 3.59Å; E243-H245 PolarHBondContact OE1-CE1 3.36Å; E243-H245 IonicContact OE1-ND1 2.64Å; E243-H245 IonicContact OE1-NE2 2.64Å; E243-V254 HydrophobicContact CB-CB 4.21Å; E243-V254 HydrophobicContact CB-CG2 4.18Å; E243-V254 WeakPolarHBondContact O-CA 3.13Å; E243-V254 VanDerWaalsContact O-CB 3.32Å; E243-V254 WeakPolarHBondContact O-CB 3.18Å; E243-V254 PolarHBondContact O-N 3.06Å; E243-P477 CarbonylContact C-O 3.53Å; E243-P477 WeakPolarHBondContact CA-O 3.39Å; E243-P477 WeakPolarHBondContact CG-O 3.38Å; E243-K480 WeakPolarHBondContact OE1-CA 3.36Å; E243-K480 VanDerWaalsContact OE1-CG 3.24Å; E243-K480 WeakPolarHBondContact OE1-CG 3.5Å
244	A	86.3	Confident	85.1	Confident	3 Å²	3	37.5 Å²	37.5	3%	0.025	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	131.9	171.4	0	0	0	0	0	111.5	L227 H252 L253 P477	L227-A244 HydrophobicContact CD1-CB 3.2Å; L227-A244 HydrophobicContact CG-CB 4.47Å; A244-H252 WeakPolarHBondContact CA-O 3.47Å; A244-L253 HydrophobicContact CB-CD1 4.25Å; A244-P477 PolarHBondContact N-O 3.29Å
245	H	85.7	Confident	85.5	Confident	23 Å²	23	36.7 Å²	36.7	11%	0.106	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	134.8	174.6	-54.4	-83.7	0	0	0	111.8	L176 Y179 E243 V247 W251 H252	L176-H245 HydrophobicContact CD1-CB 3.9Å; L176-H245 HydrophobicContact CD2-CB 4.17Å; L176-H245 WeakPolarHBondContact CD2-CD2 3.43Å; L176-H245 HydrophobicContact CG-CB 4.21Å; Y179-H245 AromaticContact CD2-NE2 3.41Å; Y179-H245 WeakPolarHBondContact CD2-NE2 3.5Å; Y179-H245 AromaticContact CE2-NE2 3.36Å; Y179-H245 WeakPolarHBondContact CE2-NE2 3.49Å; E243-H245 IonicContact OE1-CE1 3.59Å; E243-H245 PolarHBondContact OE1-CE1 3.36Å; E243-H245 IonicContact OE1-ND1 2.64Å; E243-H245 IonicContact OE1-NE2 2.64Å; H245-V247 HydrophobicContact CB-CG2 4.31Å; H245-W251 WeakPolarHBondContact O-CA 3.48Å; H245-H252 HydrophobicContact CB-CB 4.27Å; H245-H252 PolarHBondContact N-O 2.88Å; H245-H252 PolarHBondContact O-N 3.46Å
246	E	80.6	Confident	85.6	Confident	91 Å²	91	36.5 Å²	36.5	43%	0.425	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	114.9	169	-176.9	149	-132.2	0	0	108.1	R212 W251 K478	R212-E246 IonicContact CZ-OE1 3.94Å; R212-E246 IonicContact NH1-OE1 2.72Å; R212-E246 PolarHBondContact NH1-OE1 3.08Å; E246-W251 PolarHBondContact OE1-NE1 2.92Å; E246-K478 IonicContact OE2-NZ 2.72Å; E246-K478 PolarHBondContact OE2-NZ 2.9Å
247	V	80.4	Confident	85.6	Confident	64 Å²	64	38.8 Å²	38.8	39%	0.388	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	115.6	-177.7	-179.8	0	0	0	0	109.1	L176 H245 Q249 R250	L176-V247 HydrophobicContact CD1-CG2 3.65Å; H245-V247 HydrophobicContact CB-CG2 4.31Å; V247-Q249 PolarHBondContact O-N 2.78Å; V247-R250 PolarHBondContact N-O 2.67Å; V247-R250 PolarHBondContact O-N 2.7Å
248	L	79	Confident	85.4	Confident	163 Å²	163	39 Å²	39	85%	0.853	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.9	-135.7	-170.9	-53	172.7	0	0	0	109.7	R250	L248-R250 PolarHBondContact O-N 3.2Å
249	Q	75.2	Confident	85	Confident	122 Å²	122	43 Å²	43	57%	0.57	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.9	29.7	175.6	-56.5	-61.7	-8.6	0	0	112.9	R212 T213 V247	R212-Q249 WeakPolarHBondContact CA-O 3.39Å; R212-Q249 WeakPolarHBondContact CB-O 3.35Å; R212-Q249 PolarHBondContact N-O 2.8Å; T213-Q249 HydrophobicContact CG2-CB 3.62Å; T213-Q249 HydrophobicContact CG2-CG 4.07Å; V247-Q249 PolarHBondContact O-N 2.78Å
250	R	79	Confident	84.8	Confident	123 Å²	123	47.1 Å²	47.1	46%	0.464	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	133.4	-176.1	-65.1	-170.1	168.5	-163.5	-5.6	112.8	V209 I210 D211 V247 L248 H252	V209-R250 HydrophobicContact CG1-CB 4.46Å; I210-R250 WeakPolarHBondContact O-CA 3.49Å; D211-R250 IonicContact OD2-CZ 2.94Å; D211-R250 IonicContact OD2-NE 3.49Å; D211-R250 PolarHBondContact OD2-NE 3.05Å; D211-R250 IonicContact OD2-NH2 2.68Å; D211-R250 PolarHBondContact OD2-NH2 3.4Å; V247-R250 PolarHBondContact N-O 2.67Å; V247-R250 PolarHBondContact O-N 2.7Å; L248-R250 PolarHBondContact O-N 3.2Å; R250-H252 PolarHBondContact O-ND1 3.35Å
251	W	80.3	Confident	84.8	Confident	12 Å²	12	46.7 Å²	46.7	5%	0.045	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	147.8	168.1	-94.9	37.2	0	0	0	111	V209 I210 R212 L223 L227 H245 E246	V209-W251 CarbonylContact C-O 3.51Å; V209-W251 VanDerWaalsContact CA-O 3.3Å; V209-W251 WeakPolarHBondContact CA-O 3.44Å; I210-W251 HydrophobicContact CB-CB 4.4Å; I210-W251 PolarHBondContact N-O 2.9Å; I210-W251 PolarHBondContact O-N 2.86Å; R212-W251 VanDerWaalsContact CD-CD1 3.48Å; R212-W251 VanDerWaalsContact CZ-CD1 3.47Å; R212-W251 VanDerWaalsContact NH2-CZ2 3.27Å; L223-W251 HydrophobicContact CB-CZ3 4.5Å; L223-W251 WeakPolarHBondContact O-CZ3 3.43Å; L227-W251 HydrophobicContact CB-CH2 3.94Å; L227-W251 HydrophobicContact CB-CZ3 3.97Å; L227-W251 HydrophobicContact CD1-CH2 4.21Å; L227-W251 HydrophobicContact CD1-CZ3 3.86Å; L227-W251 HydrophobicContact CD2-CH2 3.72Å; L227-W251 HydrophobicContact CD2-CZ2 4.5Å; L227-W251 HydrophobicContact CD2-CZ3 4.23Å; L227-W251 HydrophobicContact CG-CH2 4.15Å; L227-W251 HydrophobicContact CG-CZ3 4.22Å; H245-W251 WeakPolarHBondContact O-CA 3.48Å; E246-W251 PolarHBondContact OE1-NE1 2.92Å
252	H	85.8	Confident	84.8	Confident	21 Å²	21	46.8 Å²	46.8	10%	0.097	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	100.2	-179.4	-58.3	74.2	0	0	0	107.4	L176 V207 K208 A244 H245 R250	L176-H252 HydrophobicContact CD1-CB 4.39Å; L176-H252 HydrophobicContact CD2-CB 3.3Å; L176-H252 HydrophobicContact CG-CB 4.46Å; V207-H252 HydrophobicContact CG1-CB 3.99Å; K208-H252 WeakPolarHBondContact O-CA 3.26Å; A244-H252 WeakPolarHBondContact CA-O 3.47Å; H245-H252 HydrophobicContact CB-CB 4.27Å; H245-H252 PolarHBondContact N-O 2.88Å; H245-H252 PolarHBondContact O-N 3.46Å; R250-H252 PolarHBondContact O-ND1 3.35Å
253	L	85.8	Confident	85	Confident	20 Å²	20	46.7 Å²	46.7	11%	0.105	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	117.5	177.8	-176.3	62.2	0	0	0	109.1	V207 K208 M230 A241 A244 M255	V207-L253 CarbonylContact C-O 3.6Å; V207-L253 WeakPolarHBondContact CA-O 3.28Å; K208-L253 HydrophobicContact CB-CB 4.44Å; K208-L253 PolarHBondContact N-O 2.85Å; K208-L253 PolarHBondContact O-N 2.8Å; M230-L253 HydrophobicContact CE-CD1 3.96Å; M230-L253 HydrophobicContact SD-CD1 3.54Å; M230-L253 VanDerWaalsContact SD-CD1 3.54Å; A241-L253 HydrophobicContact CB-CD1 4.09Å; A244-L253 HydrophobicContact CB-CD1 4.25Å; L253-M255 HydrophobicContact CD2-CG 4.09Å; L253-M255 HydrophobicContact CD2-SD 3.68Å; L253-M255 HydrophobicContact CG-CG 3.77Å; L253-M255 HydrophobicContact CG-SD 4Å
254	V	90.1	Very high	85.1	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	127.6	176.7	-171.3	0	0	0	0	108.7	Y179 V205 A206 V207 Y242 E243	Y179-V254 HydrophobicContact CD1-CG1 4.02Å; Y179-V254 HydrophobicContact CD2-CG2 3.96Å; Y179-V254 HydrophobicContact CE1-CB 4.47Å; Y179-V254 HydrophobicContact CE1-CG1 3.46Å; Y179-V254 VanDerWaalsContact CE1-CG1 3.46Å; Y179-V254 HydrophobicContact CE1-CG2 4.36Å; Y179-V254 HydrophobicContact CE2-CB 4.49Å; Y179-V254 HydrophobicContact CE2-CG1 4.27Å; Y179-V254 HydrophobicContact CE2-CG2 3.7Å; Y179-V254 HydrophobicContact CG-CG2 4.41Å; V205-V254 HydrophobicContact CB-CG1 3.93Å; V205-V254 HydrophobicContact CG1-CG1 4.33Å; V205-V254 HydrophobicContact CG2-CG1 3.72Å; A206-V254 CarbonylContact O-C 3.49Å; A206-V254 WeakPolarHBondContact O-CA 3.4Å; V207-V254 HydrophobicContact CG2-CG1 4.41Å; V207-V254 HydrophobicContact CG2-CG2 4.28Å; Y242-V254 HydrophobicContact CD2-CG1 4.28Å; Y242-V254 PolarHBondContact N-O 2.93Å; E243-V254 HydrophobicContact CB-CB 4.21Å; E243-V254 HydrophobicContact CB-CG2 4.18Å; E243-V254 WeakPolarHBondContact O-CA 3.13Å; E243-V254 VanDerWaalsContact O-CB 3.32Å; E243-V254 WeakPolarHBondContact O-CB 3.18Å; E243-V254 PolarHBondContact O-N 3.06Å
255	M	90.6	Very high	85.1	Confident	30 Å²	30	47.9 Å²	47.9	15%	0.148	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	164.9	-171	-52.7	-178.2	-58.2	0	0	111.7	V205 A206 K208 I239 R240 A241 Y242 L253 Y257	V205-M255 WeakPolarHBondContact CB-O 3.27Å; A206-M255 HydrophobicContact CB-CB 4.5Å; A206-M255 PolarHBondContact N-O 2.75Å; A206-M255 PolarHBondContact O-N 2.92Å; K208-M255 HydrophobicContact CB-CE 3.67Å; K208-M255 HydrophobicContact CD-CE 4.14Å; I239-M255 HydrophobicContact CG2-CB 4.26Å; R240-M255 CarbonylContact O-C 3.57Å; R240-M255 VanDerWaalsContact O-CA 3.31Å; R240-M255 WeakPolarHBondContact O-CA 3.39Å; A241-M255 HydrophobicContact CB-CG 4.33Å; Y242-M255 VanDerWaalsContact CE2-C 3.42Å; L253-M255 HydrophobicContact CD2-CG 4.09Å; L253-M255 HydrophobicContact CD2-SD 3.68Å; L253-M255 HydrophobicContact CG-CG 3.77Å; L253-M255 HydrophobicContact CG-SD 4Å; M255-Y257 PolarHBondContact O-N 2.98Å
256	E	89.2	Confident	85.3	Confident	5 Å²	5	50.8 Å²	50.8	2%	0.023	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.4	133.5	167.7	-174.8	171.9	-172.3	0	0	110.8	I239 R240 Y242 K316 K491	I239-E256 HydrophobicContact CG2-CB 4.31Å; R240-E256 HydrophobicContact CB-CB 4.47Å; R240-E256 PolarHBondContact O-N 3.1Å; Y242-E256 HydrophobicContact CE2-CB 4.19Å; Y242-E256 VanDerWaalsContact CE2-N 3.27Å; Y242-E256 WeakPolarHBondContact OH-CB 3.39Å; E256-K316 WeakPolarHBondContact OE1-CE 3.17Å; E256-K316 IonicContact OE1-NZ 3.33Å; E256-K316 WeakPolarHBondContact OE2-CD 3.25Å; E256-K316 VanDerWaalsContact OE2-CE 3.27Å; E256-K316 WeakPolarHBondContact OE2-CE 3.28Å; E256-K316 IonicContact OE2-NZ 3.82Å; E256-K316 PolarHBondContact OE2-NZ 2.85Å; E256-K491 VanDerWaalsContact OE1-CE 3.25Å; E256-K491 WeakPolarHBondContact OE1-CE 3.09Å; E256-K491 IonicContact OE1-NZ 3.77Å; E256-K491 PolarHBondContact OE1-NZ 3.5Å
257	Y	89.4	Confident	85.8	Confident	59 Å²	59	46.7 Å²	46.7	23%	0.231	23%	0.234	C	C	.	.			trans	-95	125	171.9	176	-125.4	0	0	0	109.5	I185 L195 E204 M255 P259	I185-Y257 HydrophobicContact CD1-CD2 3.99Å; I185-Y257 HydrophobicContact CD1-CE2 3.88Å; L195-Y257 HydrophobicContact CD1-CD1 3.69Å; L195-Y257 HydrophobicContact CD1-CD2 4.16Å; L195-Y257 HydrophobicContact CD1-CE1 3.75Å; L195-Y257 HydrophobicContact CD1-CE2 4.22Å; L195-Y257 HydrophobicContact CD1-CG 3.91Å; E204-Y257 HydrophobicContact CB-CD1 4.06Å; M255-Y257 PolarHBondContact O-N 2.98Å; Y257-P259 HydrophobicContact CD1-CB 4.43Å; Y257-P259 HydrophobicContact CE1-CB 3.92Å; Y257-P259 VanDerWaalsContact O-CD 3.29Å; Y257-P259 WeakPolarHBondContact O-CD 3.14Å
258	A	86.9	Confident	86.3	Confident	11 Å²	11	49.8 Å²	49.8	9%	0.091	24%	0.243	C	C	.	.			trans	-100.5	99.3	177	0	0	0	0	0	110.7	I239 K260 G261 F308	I239-A258 HydrophobicContact CD1-CB 4.2Å; A258-K260 PolarHBondContact O-N 3.07Å; A258-G261 PolarHBondContact O-N 2.89Å; A258-F308 HydrophobicContact CB-CB 3.6Å; A258-F308 HydrophobicContact CB-CD1 4.11Å; A258-F308 HydrophobicContact CB-CG 4.07Å
259	P	82.1	Confident	86.9	Confident	88 Å²	88	48.9 Å²	48.9	57%	0.571	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-19.2	-166.9	28.5	-36.6	0	0	0	115	Y257 G261	Y257-P259 HydrophobicContact CD1-CB 4.43Å; Y257-P259 HydrophobicContact CE1-CB 3.92Å; Y257-P259 VanDerWaalsContact O-CD 3.29Å; Y257-P259 WeakPolarHBondContact O-CD 3.14Å; P259-G261 VanDerWaalsContact C-N 3.32Å
260	K	84.1	Confident	87.7	Confident	101 Å²	101	46.4 Å²	46.4	44%	0.439	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-9.3	176.2	-54	-164.6	179.9	-163.2	0	113.6	A258 I309 V310 N312	A258-K260 PolarHBondContact O-N 3.07Å; K260-I309 HydrophobicContact CB-CB 4.2Å; K260-I309 HydrophobicContact CB-CG2 4.24Å; K260-I309 WeakPolarHBondContact CB-O 3.41Å; K260-I309 HydrophobicContact CD-CG2 4.09Å; K260-V310 WeakPolarHBondContact CD-O 3.39Å; K260-V310 WeakPolarHBondContact CE-O 3.22Å; K260-N312 PolarHBondContact NZ-OD1 3.31Å
261	G	86.4	Confident	88.4	Confident	26 Å²	26	42.1 Å²	42.1	27%	0.268	22%	0.218	S	C	.	.			trans	78.4	-164.2	176	0	0	0	0	0	114.9	A258 P259 I309	A258-G261 PolarHBondContact O-N 2.89Å; P259-G261 VanDerWaalsContact C-N 3.32Å; G261-I309 PolarHBondContact O-N 3.23Å
262	E	87.2	Confident	89.1	Confident	17 Å²	17	47.8 Å²	47.8	8%	0.079	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-78.6	144.9	-170.1	-51.7	168.2	-169.4	0	0	113.1	P80 A81 N264 S265 Y266 E305 V307 F308	P80-E262 VanDerWaalsContact CA-OE1 3.24Å; P80-E262 WeakPolarHBondContact CA-OE1 3.37Å; P80-E262 VanDerWaalsContact CB-OE1 3.29Å; P80-E262 WeakPolarHBondContact CB-OE1 3.42Å; A81-E262 PolarHBondContact N-OE1 3.09Å; E262-N264 VanDerWaalsContact C-N 3.29Å; E262-N264 PolarHBondContact O-N 2.87Å; E262-S265 WeakPolarHBondContact O-CB 3.34Å; E262-S265 PolarHBondContact O-N 3.5Å; E262-S265 VanDerWaalsContact O-N 3.16Å; E262-Y266 PolarHBondContact O-N 2.91Å; E262-E305 VanDerWaalsContact CG-O 3.31Å; E262-E305 WeakPolarHBondContact CG-O 3.38Å; E262-V307 WeakPolarHBondContact CA-O 3.39Å; E262-F308 HydrophobicContact CG-CD1 4.4Å; E262-F308 HydrophobicContact CG-CE1 3.99Å
263	L	92	Very high	89.6	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-59.8	-37.4	173.6	175.1	62.4	0	0	0	111.9	S265 Y266 L267 L273 Y281 A304 V307 I309 L365 M369	L263-S265 VanDerWaalsContact C-N 3.32Å; L263-S265 PolarHBondContact O-N 2.89Å; L263-Y266 CarbonylContact O-C 3.55Å; L263-Y266 WeakPolarHBondContact O-CA 3.25Å; L263-Y266 VanDerWaalsContact O-CB 3.29Å; L263-Y266 WeakPolarHBondContact O-CB 3.49Å; L263-Y266 PolarHBondContact O-N 3.02Å; L263-L267 HydrophobicContact CD1-CD1 4.3Å; L263-L267 HydrophobicContact CD1-CG 4.1Å; L263-L267 HydrophobicContact CG-CD1 4.04Å; L263-L267 HydrophobicContact CG-CG 4.3Å; L263-L267 WeakPolarHBondContact O-CG 3.46Å; L263-L267 PolarHBondContact O-N 3.08Å; L263-L273 HydrophobicContact CD1-CD1 4.27Å; L263-Y281 HydrophobicContact CD1-CD2 4.11Å; L263-Y281 HydrophobicContact CD1-CE2 4.06Å; L263-A304 WeakPolarHBondContact CB-O 3.48Å; L263-A304 HydrophobicContact CG-CB 4.43Å; L263-A304 PolarHBondContact N-O 2.8Å; L263-V307 HydrophobicContact CB-CB 4.07Å; L263-V307 HydrophobicContact CB-CG1 4.07Å; L263-V307 WeakPolarHBondContact CB-O 3.14Å; L263-V307 HydrophobicContact CD2-CB 4.13Å; L263-V307 HydrophobicContact CD2-CG1 3.89Å; L263-V307 PolarHBondContact N-O 2.85Å; L263-I309 HydrophobicContact CD1-CD1 4.34Å; L263-L365 HydrophobicContact CD2-CD1 4.17Å; L263-M369 HydrophobicContact CD2-CG 4.17Å; L263-M369 HydrophobicContact CD2-SD 3.79Å
264	N	90.3	Very high	90.1	Very high	10 Å²	10	50.8 Å²	50.8	5%	0.053	26%	0.256	C	S	.	.	H	α-helix	trans	-55.9	-45.5	173.7	179.3	37	0	0	0	112.4	E262 Y266 L267 K268 A304 E305	E262-N264 VanDerWaalsContact C-N 3.29Å; E262-N264 PolarHBondContact O-N 2.87Å; N264-Y266 PolarHBondContact O-N 3.16Å; N264-L267 PolarHBondContact O-N 2.52Å; N264-K268 VanDerWaalsContact CG-NZ 3.31Å; N264-K268 PolarHBondContact ND2-NZ 2.64Å; N264-K268 WeakPolarHBondContact O-CB 3.46Å; N264-K268 WeakPolarHBondContact O-CG 3.48Å; N264-K268 PolarHBondContact O-N 2.64Å; N264-K268 WeakPolarHBondContact OD1-CD 2.96Å; N264-K268 WeakPolarHBondContact OD1-CE 3.21Å; N264-K268 PolarHBondContact OD1-NZ 3.2Å; N264-A304 HydrophobicContact CB-CB 3.72Å; N264-A304 PolarHBondContact N-O 2.82Å; N264-E305 HydrophobicContact CB-CG 4.09Å; N264-E305 WeakPolarHBondContact ND2-CG 3.42Å; N264-E305 PolarHBondContact ND2-OE1 2.68Å
265	S	87.3	Confident	90.5	Very high	20 Å²	20	52.7 Å²	52.7	14%	0.14	27%	0.265	C	S	.	.	H	α-helix	trans	-67	-27.3	176.2	-73.2	0	0	0	0	112.1	E262 L263 R269	E262-S265 WeakPolarHBondContact O-CB 3.34Å; E262-S265 PolarHBondContact O-N 3.5Å; E262-S265 VanDerWaalsContact O-N 3.16Å; L263-S265 VanDerWaalsContact C-N 3.32Å; L263-S265 PolarHBondContact O-N 2.89Å; S265-R269 WeakPolarHBondContact O-CG 3.43Å; S265-R269 VanDerWaalsContact O-CZ 3.31Å; S265-R269 PolarHBondContact O-NE 3.12Å; S265-R269 PolarHBondContact O-NH2 3.33Å
266	Y	89.6	Confident	90.7	Very high	84 Å²	84	58.3 Å²	58.3	33%	0.329	29%	0.289	S	S	.	.	H	α-helix	trans	-70.2	-56.8	170.6	-172.4	-79	0	0	0	111.3	E262 L263 N264 K268 R269 S270 L273 I309	E262-Y266 PolarHBondContact O-N 2.91Å; L263-Y266 CarbonylContact O-C 3.55Å; L263-Y266 WeakPolarHBondContact O-CA 3.25Å; L263-Y266 VanDerWaalsContact O-CB 3.29Å; L263-Y266 WeakPolarHBondContact O-CB 3.49Å; L263-Y266 PolarHBondContact O-N 3.02Å; N264-Y266 PolarHBondContact O-N 3.16Å; Y266-K268 VanDerWaalsContact C-N 3.29Å; Y266-K268 PolarHBondContact O-N 2.94Å; Y266-R269 PolarHBondContact O-N 3.4Å; Y266-S270 PolarHBondContact O-N 3.01Å; Y266-L273 HydrophobicContact CD1-CD2 4.06Å; Y266-L273 HydrophobicContact CE1-CD2 3.45Å; Y266-L273 VanDerWaalsContact CE1-CD2 3.45Å; Y266-I309 HydrophobicContact CD2-CD1 3.86Å; Y266-I309 HydrophobicContact CG-CD1 3.88Å
267	L	91.9	Very high	91	Very high	4 Å²	4	59.7 Å²	59.7	2%	0.021	30%	0.297	C	S	.	.	H	α-helix	trans	-57.1	-39.5	-178	-66.6	172	0	0	0	112.3	L263 N264 R269 G271 L273 A304 Y368 M369	L263-L267 HydrophobicContact CD1-CD1 4.3Å; L263-L267 HydrophobicContact CD1-CG 4.1Å; L263-L267 HydrophobicContact CG-CD1 4.04Å; L263-L267 HydrophobicContact CG-CG 4.3Å; L263-L267 WeakPolarHBondContact O-CG 3.46Å; L263-L267 PolarHBondContact O-N 3.08Å; N264-L267 PolarHBondContact O-N 2.52Å; L267-R269 VanDerWaalsContact C-N 3.27Å; L267-R269 PolarHBondContact O-N 3.33Å; L267-G271 WeakPolarHBondContact CA-O 3.09Å; L267-G271 WeakPolarHBondContact CD2-O 3.42Å; L267-G271 VanDerWaalsContact O-CA 3.27Å; L267-G271 WeakPolarHBondContact O-CA 3.09Å; L267-G271 PolarHBondContact O-N 3.37Å; L267-L273 HydrophobicContact CD2-CD1 4.34Å; L267-L273 HydrophobicContact CD2-CG 3.95Å; L267-A304 HydrophobicContact CD1-CB 4.34Å; L267-Y368 HydrophobicContact CB-CE1 4.3Å; L267-Y368 HydrophobicContact CB-CE2 4.26Å; L267-Y368 HydrophobicContact CD1-CD1 3.62Å; L267-Y368 HydrophobicContact CD1-CD2 4.3Å; L267-Y368 HydrophobicContact CD1-CE1 3.59Å; L267-Y368 HydrophobicContact CD1-CE2 4.26Å; L267-Y368 HydrophobicContact CD1-CG 3.98Å; L267-M369 HydrophobicContact CD1-CG 4.21Å; L267-M369 HydrophobicContact CD2-CG 4.5Å
268	K	90.5	Very high	91.4	Very high	130 Å²	130	56.9 Å²	56.9	57%	0.565	29%	0.286	S	S	*	.	H	α-helix	trans	-64.9	-23.3	175.4	-76	171.5	175.1	158.5	0	114.8	N264 Y266	N264-K268 VanDerWaalsContact CG-NZ 3.31Å; N264-K268 PolarHBondContact ND2-NZ 2.64Å; N264-K268 WeakPolarHBondContact O-CB 3.46Å; N264-K268 WeakPolarHBondContact O-CG 3.48Å; N264-K268 PolarHBondContact O-N 2.64Å; N264-K268 WeakPolarHBondContact OD1-CD 2.96Å; N264-K268 WeakPolarHBondContact OD1-CE 3.21Å; N264-K268 PolarHBondContact OD1-NZ 3.2Å; Y266-K268 VanDerWaalsContact C-N 3.29Å; Y266-K268 PolarHBondContact O-N 2.94Å
269	R	92.3	Very high	91.9	Very high	144 Å²	144	58.5 Å²	58.5	54%	0.543	29%	0.29	S	S	.	.	H	α-helix	trans	-97.4	-38.3	179	-71.1	179.1	-64.6	-155.1	-0.1	112.9	L78 S265 Y266 L267	L78-R269 HydrophobicContact CD1-CG 4.37Å; S265-R269 WeakPolarHBondContact O-CG 3.43Å; S265-R269 VanDerWaalsContact O-CZ 3.31Å; S265-R269 PolarHBondContact O-NE 3.12Å; S265-R269 PolarHBondContact O-NH2 3.33Å; Y266-R269 PolarHBondContact O-N 3.4Å; L267-R269 VanDerWaalsContact C-N 3.27Å; L267-R269 PolarHBondContact O-N 3.33Å
270	S	91.2	Very high	92.5	Very high	70 Å²	70	55.8 Å²	55.8	49%	0.49	27%	0.27	S	S	.	.	H	α-helix	trans	-103.2	-10.8	-171	-64.4	0	0	0	0	113.6	Y266	Y266-S270 PolarHBondContact O-N 3.01Å
271	G	93.1	Very high	93.2	Very high	32 Å²	32	51.2 Å²	51.2	33%	0.33	25%	0.251	S	S	.	.			trans	77.7	-148.9	-171	0	0	0	0	0	111.6	L267	L267-G271 WeakPolarHBondContact CA-O 3.09Å; L267-G271 WeakPolarHBondContact CD2-O 3.42Å; L267-G271 VanDerWaalsContact O-CA 3.27Å; L267-G271 WeakPolarHBondContact O-CA 3.09Å; L267-G271 PolarHBondContact O-N 3.37Å
272	R	95.7	Very high	93.7	Very high	132 Å²	132	50 Å²	50	50%	0.498	24%	0.238	S	C	.	.	S	Bend	trans	-65.1	155	175.8	68.9	170.2	177.2	-102.3	1.4	112.3	M369 V370 Y398	R272-M369 CarbonylContact C-O 3.59Å; R272-M369 WeakPolarHBondContact CA-O 3.46Å; R272-M369 WeakPolarHBondContact CB-O 3.49Å; R272-V370 WeakPolarHBondContact CD-O 3.4Å; R272-Y398 PolarHBondContact NH1-OH 3.41Å
273	L	96.8	Very high	94.2	Very high	13 Å²	13	49.2 Å²	49.2	7%	0.068	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-83.2	164.4	164.4	-67.5	175.7	0	0	0	110.4	L263 Y266 L267 T277 S278 Y281 M369	L263-L273 HydrophobicContact CD1-CD1 4.27Å; Y266-L273 HydrophobicContact CD1-CD2 4.06Å; Y266-L273 HydrophobicContact CE1-CD2 3.45Å; Y266-L273 VanDerWaalsContact CE1-CD2 3.45Å; L267-L273 HydrophobicContact CD2-CD1 4.34Å; L267-L273 HydrophobicContact CD2-CG 3.95Å; L273-T277 HydrophobicContact CD1-CG2 4.22Å; L273-T277 HydrophobicContact CD2-CG2 4.18Å; L273-S278 VanDerWaalsContact CB-OG 3.27Å; L273-S278 WeakPolarHBondContact CB-OG 3.12Å; L273-Y281 HydrophobicContact CD1-CD2 3.75Å; L273-Y281 HydrophobicContact CD1-CE2 3.9Å; L273-M369 HydrophobicContact CD1-CB 4.17Å; L273-M369 HydrophobicContact CD1-CG 4.01Å; L273-M369 HydrophobicContact CD1-SD 4.03Å; L273-M369 PolarHBondContact N-O 2.75Å
274	D	96.2	Very high	94.3	Very high	91 Å²	91	49.4 Å²	49.4	49%	0.487	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-73.3	161.1	161.2	69.6	-10.4	0	0	0	110.1	K276 T277 S278	D274-K276 PolarHBondContact O-N 3.01Å; D274-T277 PolarHBondContact O-N 3.48Å; D274-T277 WeakPolarHBondContact OD1-CA 3.07Å; D274-T277 WeakPolarHBondContact OD1-CB 3.33Å; D274-T277 PolarHBondContact OD1-N 3.47Å; D274-T277 PolarHBondContact OD1-OG1 3.12Å; D274-S278 VanDerWaalsContact O-CB 3.31Å; D274-S278 WeakPolarHBondContact O-CB 3.43Å; D274-S278 PolarHBondContact O-N 3.42Å; D274-S278 PolarHBondContact O-OG 2.83Å
275	E	97.3	Very high	94.7	Very high	40 Å²	40	49 Å²	49	19%	0.187	23%	0.233	C	C	.	.	H	α-helix	trans	-65.9	-29.5	-179	-75	-165.8	-141.4	0	0	112.7	S278 R279 V370 V399 S400 W429	E275-S278 PolarHBondContact O-N 2.6Å; E275-R279 WeakPolarHBondContact O-CB 3.31Å; E275-R279 PolarHBondContact O-N 2.87Å; E275-V370 HydrophobicContact CG-CG1 4.21Å; E275-V399 WeakPolarHBondContact OE1-CA 3.32Å; E275-S400 PolarHBondContact OE1-N 3.02Å; E275-S400 PolarHBondContact OE1-OG 3.36Å; E275-S400 WeakPolarHBondContact OE2-CB 3.32Å; E275-S400 PolarHBondContact OE2-OG 3.22Å; E275-W429 HydrophobicContact CB-CZ2 4.44Å; E275-W429 PolarHBondContact OE2-NE1 3.44Å
276	K	95.9	Very high	95.2	Very high	148 Å²	148	48 Å²	48	64%	0.643	23%	0.226	S	C	*	.	H	α-helix	trans	-64.3	-47.9	177.5	-173.3	175.8	-179.3	175.6	0	112	D274 N280	D274-K276 PolarHBondContact O-N 3.01Å; K276-N280 WeakPolarHBondContact O-CB 3.25Å; K276-N280 PolarHBondContact O-N 3.1Å; K276-N280 VanDerWaalsContact O-N 3.14Å
277	T	95.4	Very high	95.4	Very high	34 Å²	34	44 Å²	44	21%	0.209	21%	0.21	C	C	.	.	H	α-helix	trans	-69.4	-40.4	176	-50.4	0	0	0	0	110.6	L273 D274 R279 N280 Y281	L273-T277 HydrophobicContact CD1-CG2 4.22Å; L273-T277 HydrophobicContact CD2-CG2 4.18Å; D274-T277 PolarHBondContact O-N 3.48Å; D274-T277 WeakPolarHBondContact OD1-CA 3.07Å; D274-T277 WeakPolarHBondContact OD1-CB 3.33Å; D274-T277 PolarHBondContact OD1-N 3.47Å; D274-T277 PolarHBondContact OD1-OG1 3.12Å; T277-R279 PolarHBondContact O-N 2.93Å; T277-N280 PolarHBondContact O-N 3.43Å; T277-Y281 HydrophobicContact CG2-CD1 4.35Å; T277-Y281 HydrophobicContact CG2-CD2 4.2Å; T277-Y281 HydrophobicContact CG2-CE1 3.98Å; T277-Y281 HydrophobicContact CG2-CE2 3.82Å; T277-Y281 HydrophobicContact CG2-CG 4.46Å; T277-Y281 PolarHBondContact O-N 2.94Å
278	S	97.6	Very high	95.5	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-57.7	-47.9	176.6	-56.7	0	0	0	0	111.4	L273 D274 E275 Y281 S282	L273-S278 VanDerWaalsContact CB-OG 3.27Å; L273-S278 WeakPolarHBondContact CB-OG 3.12Å; D274-S278 VanDerWaalsContact O-CB 3.31Å; D274-S278 WeakPolarHBondContact O-CB 3.43Å; D274-S278 PolarHBondContact O-N 3.42Å; D274-S278 PolarHBondContact O-OG 2.83Å; E275-S278 PolarHBondContact O-N 2.6Å; S278-Y281 PolarHBondContact O-N 2.84Å; S278-S282 VanDerWaalsContact O-CB 3.27Å; S278-S282 WeakPolarHBondContact O-CB 3.37Å; S278-S282 PolarHBondContact O-N 3.29Å; S278-S282 PolarHBondContact O-OG 3.14Å
279	R	97.3	Very high	95.7	Very high	45 Å²	45	37.6 Å²	37.6	17%	0.17	18%	0.182	C	C	.	.	H	α-helix	trans	-60.4	-49.7	178	-174.6	-169.4	-58.1	135.4	6.5	111.9	E275 T277 Y281 S282 S283 W429 F430 D432 I433	E275-R279 WeakPolarHBondContact O-CB 3.31Å; E275-R279 PolarHBondContact O-N 2.87Å; T277-R279 PolarHBondContact O-N 2.93Å; R279-Y281 PolarHBondContact O-N 3.3Å; R279-S282 PolarHBondContact O-N 2.9Å; R279-S283 PolarHBondContact O-N 2.92Å; R279-S283 PolarHBondContact O-OG 2.81Å; R279-W429 HydrophobicContact CB-CD2 4.36Å; R279-W429 HydrophobicContact CB-CE3 4.26Å; R279-W429 HydrophobicContact CB-CH2 3.81Å; R279-W429 HydrophobicContact CB-CZ2 3.82Å; R279-W429 HydrophobicContact CB-CZ3 4.02Å; R279-W429 WeakPolarHBondContact CD-O 3.36Å; R279-W429 HydrophobicContact CG-CD2 4.22Å; R279-W429 HydrophobicContact CG-CE3 4.02Å; R279-W429 HydrophobicContact CG-CH2 4.45Å; R279-W429 HydrophobicContact CG-CZ3 4.17Å; R279-W429 WeakPolarHBondContact CG-O 3.27Å; R279-W429 PolarHBondContact NE-O 2.6Å; R279-F430 HydrophobicContact CG-CD1 3.62Å; R279-F430 HydrophobicContact CG-CE1 3.91Å; R279-D432 WeakPolarHBondContact CD-OD1 3.46Å; R279-D432 IonicContact CZ-OD1 3.43Å; R279-D432 IonicContact CZ-OD2 3.55Å; R279-D432 IonicContact NE-OD1 3.7Å; R279-D432 PolarHBondContact NE-OD1 2.92Å; R279-D432 IonicContact NH1-OD1 2.76Å; R279-D432 PolarHBondContact NH1-OD1 2.92Å; R279-D432 IonicContact NH1-OD2 3.73Å; R279-D432 PolarHBondContact NH1-OD2 3.14Å; R279-I433 HydrophobicContact CG-CD1 4.19Å; R279-I433 HydrophobicContact CG-CG1 4.28Å
280	N	95.2	Very high	95.8	Very high	30 Å²	30	31.8 Å²	31.8	16%	0.16	16%	0.162	C	C	.	.	H	α-helix	trans	-58	-45.4	177.1	177.9	50.5	0	0	0	112	K276 T277 S283 Q284 M313	K276-N280 WeakPolarHBondContact O-CB 3.25Å; K276-N280 PolarHBondContact O-N 3.1Å; K276-N280 VanDerWaalsContact O-N 3.14Å; T277-N280 PolarHBondContact O-N 3.43Å; N280-S283 PolarHBondContact O-OG 3.19Å; N280-Q284 PolarHBondContact ND2-NE2 2.75Å; N280-Q284 WeakPolarHBondContact O-CG 3.44Å; N280-Q284 PolarHBondContact O-N 3.23Å; N280-Q284 PolarHBondContact O-NE2 2.94Å; N280-Q284 PolarHBondContact OD1-NE2 3.28Å; N280-M313 PolarHBondContact ND2-O 3.05Å
281	Y	96.9	Very high	95.8	Very high	6 Å²	6	30.1 Å²	30.1	2%	0.024	15%	0.146	C	C	.	.	H	α-helix	trans	-67	-39.5	175.7	-70.2	-3.8	0	0	0	112.2	L263 L273 T277 S278 R279 Q284 I285 N312 V315 M369	L263-Y281 HydrophobicContact CD1-CD2 4.11Å; L263-Y281 HydrophobicContact CD1-CE2 4.06Å; L273-Y281 HydrophobicContact CD1-CD2 3.75Å; L273-Y281 HydrophobicContact CD1-CE2 3.9Å; T277-Y281 HydrophobicContact CG2-CD1 4.35Å; T277-Y281 HydrophobicContact CG2-CD2 4.2Å; T277-Y281 HydrophobicContact CG2-CE1 3.98Å; T277-Y281 HydrophobicContact CG2-CE2 3.82Å; T277-Y281 HydrophobicContact CG2-CG 4.46Å; T277-Y281 PolarHBondContact O-N 2.94Å; S278-Y281 PolarHBondContact O-N 2.84Å; R279-Y281 PolarHBondContact O-N 3.3Å; Y281-Q284 PolarHBondContact O-N 2.72Å; Y281-I285 VanDerWaalsContact O-CD1 3.31Å; Y281-I285 WeakPolarHBondContact O-CD1 3.19Å; Y281-I285 WeakPolarHBondContact O-CG1 3.07Å; Y281-I285 PolarHBondContact O-N 3.35Å; Y281-N312 PolarHBondContact OH-O 3.08Å; Y281-V315 HydrophobicContact CD1-CB 4.41Å; Y281-V315 HydrophobicContact CD1-CG1 3.63Å; Y281-V315 HydrophobicContact CD1-CG2 4Å; Y281-V315 HydrophobicContact CD2-CG1 3.85Å; Y281-V315 HydrophobicContact CE1-CG1 3.71Å; Y281-V315 HydrophobicContact CE2-CG1 3.93Å; Y281-V315 HydrophobicContact CG-CG1 3.7Å; Y281-V315 HydrophobicContact CG-CG2 4.08Å; Y281-M369 HydrophobicContact CD2-SD 4.23Å
282	S	98.1	Very high	95.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-65.6	-40.1	-179.4	-55.1	0	0	0	0	112.4	S278 R279 I285 L286 I366 M369	S278-S282 VanDerWaalsContact O-CB 3.27Å; S278-S282 WeakPolarHBondContact O-CB 3.37Å; S278-S282 PolarHBondContact O-N 3.29Å; S278-S282 PolarHBondContact O-OG 3.14Å; R279-S282 PolarHBondContact O-N 2.9Å; S282-I285 PolarHBondContact O-N 2.57Å; S282-L286 WeakPolarHBondContact O-CB 3.39Å; S282-L286 PolarHBondContact O-N 2.8Å; S282-I366 WeakPolarHBondContact OG-CG1 3.4Å; S282-M369 WeakPolarHBondContact OG-CE 3.5Å
283	S	96.9	Very high	95.5	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-68	-37.5	177.5	63.4	0	0	0	0	112	R279 N280 L286 S287 W435	R279-S283 PolarHBondContact O-N 2.92Å; R279-S283 PolarHBondContact O-OG 2.81Å; N280-S283 PolarHBondContact O-OG 3.19Å; S283-L286 PolarHBondContact O-N 3.42Å; S283-S287 VanDerWaalsContact O-CB 3.3Å; S283-S287 WeakPolarHBondContact O-CB 3.41Å; S283-S287 PolarHBondContact O-N 2.84Å; S283-W435 WeakPolarHBondContact O-CZ3 3.5Å
284	Q	95.7	Very high	95.2	Very high	4 Å²	4	28.8 Å²	28.8	2%	0.019	14%	0.141	C	C	.	.	H	α-helix	trans	-63.7	-44	173.7	-69.2	178.5	30.4	0	0	112.1	H235 H237 N280 Y281 S287 A288 M313 V315 L438	H235-Q284 PolarHBondContact CE1-O 2.69Å; H235-Q284 VanDerWaalsContact CE1-O 3.29Å; H237-Q284 HydrophobicContact CB-CB 4.18Å; H237-Q284 WeakPolarHBondContact CB-O 3.39Å; H237-Q284 WeakPolarHBondContact CE1-CG 3.48Å; H237-Q284 PolarHBondContact CE1-OE1 3.24Å; H237-Q284 VanDerWaalsContact CE1-OE1 3.24Å; H237-Q284 PolarHBondContact ND1-OE1 3.09Å; H237-Q284 VanDerWaalsContact ND1-OE1 3.09Å; N280-Q284 PolarHBondContact ND2-NE2 2.75Å; N280-Q284 WeakPolarHBondContact O-CG 3.44Å; N280-Q284 PolarHBondContact O-N 3.23Å; N280-Q284 PolarHBondContact O-NE2 2.94Å; N280-Q284 PolarHBondContact OD1-NE2 3.28Å; Y281-Q284 PolarHBondContact O-N 2.72Å; Q284-S287 PolarHBondContact O-N 3.5Å; Q284-A288 PolarHBondContact O-N 3.3Å; Q284-M313 PolarHBondContact NE2-O 3.14Å; Q284-V315 HydrophobicContact CB-CG2 3.87Å; Q284-V315 PolarHBondContact OE1-O 2.9Å; Q284-L438 HydrophobicContact CG-CD2 3.93Å
285	I	97.1	Very high	94.7	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.005	13%	0.133	C	C	.	.	H	α-helix	trans	-65.3	-45.1	175.4	-63.7	158	0	0	0	110.6	Y281 S282 S287 A288 L289 L302 V307 V315 L362 L365	Y281-I285 VanDerWaalsContact O-CD1 3.31Å; Y281-I285 WeakPolarHBondContact O-CD1 3.19Å; Y281-I285 WeakPolarHBondContact O-CG1 3.07Å; Y281-I285 PolarHBondContact O-N 3.35Å; S282-I285 PolarHBondContact O-N 2.57Å; I285-S287 VanDerWaalsContact C-N 3.33Å; I285-S287 PolarHBondContact O-N 2.69Å; I285-A288 WeakPolarHBondContact O-CB 3.22Å; I285-A288 PolarHBondContact O-N 3.35Å; I285-A288 VanDerWaalsContact O-N 3.14Å; I285-L289 WeakPolarHBondContact O-CG 3.15Å; I285-L289 PolarHBondContact O-N 3.3Å; I285-L302 HydrophobicContact CG2-CD1 3.88Å; I285-L302 HydrophobicContact CG2-CD2 4.02Å; I285-V307 HydrophobicContact CD1-CG1 4.11Å; I285-V307 HydrophobicContact CD1-CG2 3.93Å; I285-V307 HydrophobicContact CG1-CG1 4.41Å; I285-V307 HydrophobicContact CG1-CG2 4.2Å; I285-V315 HydrophobicContact CG1-CG2 4.3Å; I285-L362 HydrophobicContact CB-CD1 4.33Å; I285-L362 HydrophobicContact CG2-CD1 3.9Å; I285-L365 HydrophobicContact CD1-CD2 3.86Å
286	L	97.5	Very high	94	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-64.5	-36.1	177.8	-177.2	54.1	0	0	0	112.1	S282 S283 L289 D290 L359 L362 V421 A424 K425 F430 W435	S282-L286 WeakPolarHBondContact O-CB 3.39Å; S282-L286 PolarHBondContact O-N 2.8Å; S283-L286 PolarHBondContact O-N 3.42Å; L286-L289 PolarHBondContact O-N 3.25Å; L286-D290 WeakPolarHBondContact O-CB 3.29Å; L286-D290 PolarHBondContact O-N 2.88Å; L286-L359 HydrophobicContact CD1-CD2 3.7Å; L286-L362 HydrophobicContact CB-CD2 4Å; L286-L362 HydrophobicContact CD1-CD2 3.86Å; L286-L362 HydrophobicContact CD2-CD2 4.44Å; L286-L362 HydrophobicContact CG-CD2 4.31Å; L286-V421 HydrophobicContact CD1-CG1 4.1Å; L286-V421 HydrophobicContact CD1-CG2 4.44Å; L286-A424 HydrophobicContact CD2-CB 3.75Å; L286-K425 HydrophobicContact CD2-CG 3.9Å; L286-K425 HydrophobicContact CG-CG 4.31Å; L286-F430 HydrophobicContact CD2-CE2 4.11Å; L286-W435 HydrophobicContact CB-CH2 4.22Å; L286-W435 HydrophobicContact CB-CZ3 4.36Å; L286-W435 HydrophobicContact CD2-CH2 3.8Å; L286-W435 HydrophobicContact CD2-CZ2 4.43Å; L286-W435 HydrophobicContact CD2-CZ3 4.46Å; L286-W435 HydrophobicContact CG-CH2 4.21Å; L286-W435 HydrophobicContact CG-CZ3 4.41Å
287	S	95.5	Very high	93.4	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-63.9	-39.6	172.1	-172.3	0	0	0	0	111.7	H235 S283 Q284 I285 H291 L438	H235-S287 WeakPolarHBondContact CE1-CB 3.36Å; H235-S287 PolarHBondContact CE1-OG 2.93Å; H235-S287 WeakPolarHBondContact NE2-CB 3.4Å; H235-S287 PolarHBondContact NE2-O 2.72Å; H235-S287 PolarHBondContact NE2-OG 2.73Å; S283-S287 VanDerWaalsContact O-CB 3.3Å; S283-S287 WeakPolarHBondContact O-CB 3.41Å; S283-S287 PolarHBondContact O-N 2.84Å; Q284-S287 PolarHBondContact O-N 3.5Å; I285-S287 VanDerWaalsContact C-N 3.33Å; I285-S287 PolarHBondContact O-N 2.69Å; S287-H291 WeakPolarHBondContact O-CB 3.16Å; S287-H291 PolarHBondContact O-N 3.33Å; S287-L438 PolarHBondContact OG-O 3.17Å
288	A	93.4	Very high	92.9	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-66.7	-43.4	174.5	0	0	0	0	0	112.3	H235 H237 I238 Q284 I285 H291 L292 L317	H235-A288 PolarHBondContact CE1-N 3.36Å; H237-A288 HydrophobicContact CB-CB 4.24Å; I238-A288 HydrophobicContact CD1-CB 4.31Å; I238-A288 HydrophobicContact CG1-CB 3.82Å; Q284-A288 PolarHBondContact O-N 3.3Å; I285-A288 WeakPolarHBondContact O-CB 3.22Å; I285-A288 PolarHBondContact O-N 3.35Å; I285-A288 VanDerWaalsContact O-N 3.14Å; A288-H291 PolarHBondContact O-N 3.27Å; A288-L292 WeakPolarHBondContact O-CD1 3.31Å; A288-L292 VanDerWaalsContact O-CG 3.24Å; A288-L292 WeakPolarHBondContact O-CG 3.21Å; A288-L292 PolarHBondContact O-N 2.9Å; A288-L317 HydrophobicContact CB-CB 4.29Å; A288-L317 HydrophobicContact CB-CD2 4.31Å
289	L	94.7	Very high	92.2	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-60.6	-47.9	174.7	-70.4	-178.4	0	0	0	112	I285 L286 H291 L292 H293 H299 L302 L317 D358 L359 L362	I285-L289 WeakPolarHBondContact O-CG 3.15Å; I285-L289 PolarHBondContact O-N 3.3Å; L286-L289 PolarHBondContact O-N 3.25Å; L289-H291 VanDerWaalsContact C-N 3.33Å; L289-H291 PolarHBondContact O-N 2.87Å; L289-L292 HydrophobicContact CD2-CD1 4.48Å; L289-L292 WeakPolarHBondContact O-CB 3.41Å; L289-L292 PolarHBondContact O-N 3.47Å; L289-L292 VanDerWaalsContact O-N 3.12Å; L289-H293 WeakPolarHBondContact O-CB 3.33Å; L289-H293 PolarHBondContact O-CD2 3.01Å; L289-H293 PolarHBondContact O-N 3.15Å; L289-H299 HydrophobicContact CD2-CB 4.22Å; L289-L302 HydrophobicContact CD1-CD2 3.91Å; L289-L302 HydrophobicContact CD2-CD2 4.39Å; L289-L317 HydrophobicContact CD2-CD2 4.12Å; L289-D358 HydrophobicContact CD1-CB 4.2Å; L289-D358 HydrophobicContact CD2-CB 3.92Å; L289-L359 HydrophobicContact CD1-CD2 4.3Å; L289-L362 HydrophobicContact CD1-CB 4.29Å; L289-L362 HydrophobicContact CD1-CD2 4.27Å
290	D	94.8	Very high	91.4	Very high	22 Å²	22	17.2 Å²	17.2	12%	0.118	9%	0.093	C	C	.	.	H	α-helix	trans	-56.7	-47.1	176.7	-175.3	32.9	0	0	0	111.3	L286 L292 H293 N294 V421 K425	L286-D290 WeakPolarHBondContact O-CB 3.29Å; L286-D290 PolarHBondContact O-N 2.88Å; D290-L292 VanDerWaalsContact C-N 3.34Å; D290-L292 PolarHBondContact O-N 3.12Å; D290-H293 PolarHBondContact O-N 3.44Å; D290-N294 WeakPolarHBondContact O-CB 3.35Å; D290-N294 VanDerWaalsContact O-CG 3.26Å; D290-N294 PolarHBondContact O-N 3.22Å; D290-N294 PolarHBondContact O-ND2 3.01Å; D290-N294 PolarHBondContact OD1-ND2 3.21Å; D290-V421 HydrophobicContact CB-CG1 3.68Å; D290-K425 IonicContact OD2-NZ 3.66Å; D290-K425 PolarHBondContact OD2-NZ 2.93Å
291	H	91.4	Very high	90.6	Very high	34 Å²	34	15.9 Å²	15.9	16%	0.157	9%	0.086	C	C	.	.	H	α-helix	trans	-61.4	-39.6	175.6	174.4	89.1	0	0	0	113	R232 L233 H234 H235 S287 A288 L289 N295	R232-H291 PolarHBondContact O-CE1 3.13Å; R232-H291 PolarHBondContact O-NE2 3.44Å; L233-H291 WeakPolarHBondContact CA-NE2 3.37Å; H234-H291 PolarHBondContact O-CE1 3Å; H234-H291 PolarHBondContact O-NE2 2.96Å; H235-H291 HydrophobicContact CB-CB 4.38Å; H235-H291 VanDerWaalsContact CD2-CB 3.48Å; H235-H291 WeakPolarHBondContact CD2-CB 3.22Å; H235-H291 AromaticContact CD2-CG 3.66Å; H235-H291 AromaticContact CD2-ND1 3.99Å; S287-H291 WeakPolarHBondContact O-CB 3.16Å; S287-H291 PolarHBondContact O-N 3.33Å; A288-H291 PolarHBondContact O-N 3.27Å; L289-H291 VanDerWaalsContact C-N 3.33Å; L289-H291 PolarHBondContact O-N 2.87Å; H291-N295 PolarHBondContact O-N 2.9Å; H291-N295 PolarHBondContact O-ND2 2.85Å
292	L	89.6	Confident	90.3	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-63.7	-51	174.9	-72.2	159.3	0	0	0	111	L233 I238 A288 L289 D290 N294 N295 G296 V297 L317 F320	L233-L292 HydrophobicContact CD1-CD2 3.98Å; L233-L292 HydrophobicContact CD2-CD2 3.75Å; L233-L292 HydrophobicContact CG-CD2 4.32Å; I238-L292 HydrophobicContact CD1-CD1 4.17Å; I238-L292 HydrophobicContact CD1-CD2 4.03Å; I238-L292 HydrophobicContact CD1-CG 3.86Å; A288-L292 WeakPolarHBondContact O-CD1 3.31Å; A288-L292 VanDerWaalsContact O-CG 3.24Å; A288-L292 WeakPolarHBondContact O-CG 3.21Å; A288-L292 PolarHBondContact O-N 2.9Å; L289-L292 HydrophobicContact CD2-CD1 4.48Å; L289-L292 WeakPolarHBondContact O-CB 3.41Å; L289-L292 PolarHBondContact O-N 3.47Å; L289-L292 VanDerWaalsContact O-N 3.12Å; D290-L292 VanDerWaalsContact C-N 3.34Å; D290-L292 PolarHBondContact O-N 3.12Å; L292-N294 PolarHBondContact O-N 3.18Å; L292-N295 CarbonylContact O-C 3.58Å; L292-N295 WeakPolarHBondContact O-CA 3.44Å; L292-N295 PolarHBondContact O-N 3Å; L292-G296 PolarHBondContact O-N 3.3Å; L292-V297 CarbonylContact C-O 3.57Å; L292-V297 HydrophobicContact CB-CB 4.5Å; L292-V297 WeakPolarHBondContact CB-O 3.39Å; L292-V297 HydrophobicContact CD2-CB 4.21Å; L292-V297 HydrophobicContact CD2-CG1 3.87Å; L292-V297 PolarHBondContact O-N 3.29Å; L292-V297 VanDerWaalsContact O-O 3.04Å; L292-L317 HydrophobicContact CD1-CD2 3.95Å; L292-F320 HydrophobicContact CD1-CE1 3.76Å; L292-F320 HydrophobicContact CD1-CZ 4.41Å; L292-F320 HydrophobicContact CD2-CD1 4.22Å; L292-F320 HydrophobicContact CD2-CE1 3.44Å; L292-F320 VanDerWaalsContact CD2-CE1 3.44Å; L292-F320 HydrophobicContact CD2-CZ 4.03Å; L292-F320 HydrophobicContact CG-CE1 4.24Å
293	H	91.9	Very high	89.9	Confident	30 Å²	30	15.9 Å²	15.9	14%	0.139	9%	0.087	C	C	.	.	H	α-helix	trans	-62.3	-42	-177.4	-62.9	168.5	0	0	0	111.6	L289 D290 N295 G296 V297 D358	L289-H293 WeakPolarHBondContact O-CB 3.33Å; L289-H293 PolarHBondContact O-CD2 3.01Å; L289-H293 PolarHBondContact O-N 3.15Å; D290-H293 PolarHBondContact O-N 3.44Å; H293-N295 PolarHBondContact O-N 3.32Å; H293-G296 WeakPolarHBondContact O-CA 3.27Å; H293-G296 PolarHBondContact O-N 3.42Å; H293-V297 PolarHBondContact CD2-O 3.29Å; H293-V297 PolarHBondContact N-O 2.79Å; H293-D358 IonicContact CD2-OD2 2.73Å; H293-D358 IonicContact CE1-OD2 2.71Å; H293-D358 IonicContact NE2-OD2 3.52Å; H293-D358 PolarHBondContact NE2-OD2 3.02Å
294	N	90.6	Very high	89.7	Confident	119 Å²	119	15.9 Å²	15.9	64%	0.636	9%	0.087	S	C	*	.	H	α-helix	trans	-65.8	-22.3	174.5	-70.5	-45.9	0	0	0	113.6	D290 L292 G296	D290-N294 WeakPolarHBondContact O-CB 3.35Å; D290-N294 VanDerWaalsContact O-CG 3.26Å; D290-N294 PolarHBondContact O-N 3.22Å; D290-N294 PolarHBondContact O-ND2 3.01Å; D290-N294 PolarHBondContact OD1-ND2 3.21Å; L292-N294 PolarHBondContact O-N 3.18Å; N294-G296 VanDerWaalsContact C-N 3.32Å
295	N	85.7	Confident	89.3	Confident	60 Å²	60	17.5 Å²	17.5	32%	0.321	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	9.2	170.5	-80	-79.1	0	0	0	113.3	R232 L233 H291 L292 H293 V297	R232-N295 PolarHBondContact O-ND2 2.83Å; L233-N295 HydrophobicContact CD2-CB 4.04Å; H291-N295 PolarHBondContact O-N 2.9Å; H291-N295 PolarHBondContact O-ND2 2.85Å; L292-N295 CarbonylContact O-C 3.58Å; L292-N295 WeakPolarHBondContact O-CA 3.44Å; L292-N295 PolarHBondContact O-N 3Å; H293-N295 PolarHBondContact O-N 3.32Å; N295-V297 VanDerWaalsContact C-N 3.3Å; N295-V297 PolarHBondContact O-N 3.04Å
296	G	83.1	Confident	88.8	Confident	24 Å²	24	17.6 Å²	17.6	25%	0.247	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.5	25.7	-178	0	0	0	0	0	113.4	L292 H293 N294 C325 V326	L292-G296 PolarHBondContact O-N 3.3Å; H293-G296 WeakPolarHBondContact O-CA 3.27Å; H293-G296 PolarHBondContact O-N 3.42Å; N294-G296 VanDerWaalsContact C-N 3.32Å; G296-C325 CarbonylContact O-C 3.52Å; G296-C325 VanDerWaalsContact O-CA 3.25Å; G296-C325 WeakPolarHBondContact O-CA 3.49Å; G296-V326 PolarHBondContact O-N 2.82Å
297	V	83.3	Confident	88.6	Confident	4 Å²	4	17.6 Å²	17.6	2%	0.024	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	130.7	178.8	177.7	0	0	0	0	110	L233 L292 H293 N295 K324	L233-V297 HydrophobicContact CD1-CG1 4.27Å; L233-V297 HydrophobicContact CD1-CG2 4.46Å; L233-V297 HydrophobicContact CD2-CB 4.12Å; L233-V297 HydrophobicContact CD2-CG2 3.88Å; L292-V297 CarbonylContact C-O 3.57Å; L292-V297 HydrophobicContact CB-CB 4.5Å; L292-V297 WeakPolarHBondContact CB-O 3.39Å; L292-V297 HydrophobicContact CD2-CB 4.21Å; L292-V297 HydrophobicContact CD2-CG1 3.87Å; L292-V297 PolarHBondContact O-N 3.29Å; L292-V297 VanDerWaalsContact O-O 3.04Å; H293-V297 PolarHBondContact CD2-O 3.29Å; H293-V297 PolarHBondContact N-O 2.79Å; N295-V297 VanDerWaalsContact C-N 3.3Å; N295-V297 PolarHBondContact O-N 3.04Å; V297-K324 WeakPolarHBondContact CA-O 3.27Å
298	V	83.7	Confident	88.4	Confident	3 Å²	3	19.9 Å²	19.9	2%	0.018	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	139.3	175.5	-177.5	0	0	0	0	108.7	R300 S323 K324 V326 G354 P355 D358	V298-R300 HydrophobicContact CB-CG 4.18Å; V298-R300 HydrophobicContact CG1-CG 3.53Å; V298-S323 WeakPolarHBondContact O-CA 3.49Å; V298-S323 WeakPolarHBondContact O-CB 3.37Å; V298-K324 PolarHBondContact N-O 2.84Å; V298-K324 PolarHBondContact O-N 3.29Å; V298-K324 VanDerWaalsContact O-N 3.13Å; V298-V326 HydrophobicContact CB-CG2 4.23Å; V298-V326 HydrophobicContact CG2-CB 4.35Å; V298-V326 HydrophobicContact CG2-CG2 3.62Å; V298-G354 VanDerWaalsContact CG1-O 3.31Å; V298-G354 WeakPolarHBondContact CG1-O 3.35Å; V298-P355 HydrophobicContact CG2-CG 4.17Å; V298-D358 VanDerWaalsContact CG1-OD2 3.27Å; V298-D358 WeakPolarHBondContact CG1-OD2 3.04Å
299	H	83.6	Confident	88.2	Confident	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.106	C	C	.	.			trans	-78.9	-47.4	-174	-168.9	-84.9	0	0	0	113.2	L289 D301 L302 G318 F320 F322 D358	L289-H299 HydrophobicContact CD2-CB 4.22Å; H299-D301 PolarHBondContact CE1-O 3.27Å; H299-D301 VanDerWaalsContact CE1-O 3.3Å; H299-D301 VanDerWaalsContact ND1-C 3.27Å; H299-D301 PolarHBondContact ND1-N 3.43Å; H299-D301 PolarHBondContact O-N 2.91Å; H299-L302 PolarHBondContact ND1-N 3.08Å; H299-L302 VanDerWaalsContact ND1-N 3.19Å; H299-G318 PolarHBondContact NE2-O 2.7Å; H299-F320 AromaticContact CD2-CD1 3.8Å; H299-F320 AromaticContact CD2-CE1 3.69Å; H299-F322 CarbonylContact O-C 3.03Å; H299-D358 PolarHBondContact N-OD2 3.35Å
300	R	80.3	Confident	87.8	Confident	25 Å²	25	21.2 Å²	21.2	9%	0.094	11%	0.112	C	C	.	.	S	Bend	trans	64.7	-13.8	176.8	-52.5	-166.8	-63.6	152.9	4.6	118.1	V298 F322 T334 Y352 D358	V298-R300 HydrophobicContact CB-CG 4.18Å; V298-R300 HydrophobicContact CG1-CG 3.53Å; R300-F322 HydrophobicContact CB-CB 4.3Å; R300-F322 PolarHBondContact NE-O 3.03Å; R300-F322 PolarHBondContact NH2-O 3.5Å; R300-T334 PolarHBondContact NH1-O 3.03Å; R300-Y352 WeakPolarHBondContact CD-OH 3.29Å; R300-Y352 PolarHBondContact NH1-OH 3.25Å; R300-D358 WeakPolarHBondContact CA-OD1 3.46Å; R300-D358 PolarHBondContact N-OD1 3.03Å
301	D	79.3	Confident	87.2	Confident	2 Å²	2	22 Å²	22	1%	0.011	12%	0.117	C	C	.	.			trans	-130.8	48	173.6	-168.2	38.5	0	0	0	111.7	H299 K303 N306 F322 S338	H299-D301 PolarHBondContact CE1-O 3.27Å; H299-D301 VanDerWaalsContact CE1-O 3.3Å; H299-D301 VanDerWaalsContact ND1-C 3.27Å; H299-D301 PolarHBondContact ND1-N 3.43Å; H299-D301 PolarHBondContact O-N 2.91Å; D301-K303 PolarHBondContact O-N 3.48Å; D301-K303 IonicContact OD1-NZ 2.82Å; D301-K303 PolarHBondContact OD1-NZ 3.14Å; D301-K303 WeakPolarHBondContact OD2-CE 3.24Å; D301-K303 IonicContact OD2-NZ 3.23Å; D301-K303 PolarHBondContact OD2-NZ 3.11Å; D301-N306 PolarHBondContact O-ND2 2.88Å; D301-N306 PolarHBondContact OD2-ND2 2.84Å; D301-F322 HydrophobicContact CB-CB 3.94Å; D301-F322 HydrophobicContact CB-CD2 3.42Å; D301-F322 VanDerWaalsContact CB-CD2 3.42Å; D301-F322 HydrophobicContact CB-CE2 4.19Å; D301-F322 HydrophobicContact CB-CG 3.94Å; D301-F322 WeakPolarHBondContact OD2-CD2 3.49Å; D301-F322 WeakPolarHBondContact OD2-CE2 3.43Å; D301-S338 PolarHBondContact OD1-N 2.75Å; D301-S338 PolarHBondContact OD1-OG 3.24Å
302	L	91.2	Very high	86.7	Confident	2 Å²	2	25.8 Å²	25.8	1%	0.01	14%	0.138	C	C	.	.			trans	-71	123.3	173.7	173.3	62.1	0	0	0	109.9	I285 L289 H299 V307 L317 A361 L362 L365	I285-L302 HydrophobicContact CG2-CD1 3.88Å; I285-L302 HydrophobicContact CG2-CD2 4.02Å; L289-L302 HydrophobicContact CD1-CD2 3.91Å; L289-L302 HydrophobicContact CD2-CD2 4.39Å; H299-L302 PolarHBondContact ND1-N 3.08Å; H299-L302 VanDerWaalsContact ND1-N 3.19Å; L302-V307 HydrophobicContact CD1-CG2 4.14Å; L302-L317 HydrophobicContact CD1-CD1 3.63Å; L302-A361 HydrophobicContact CB-CB 3.92Å; L302-A361 HydrophobicContact CD2-CB 4.36Å; L302-A361 HydrophobicContact CG-CB 4.32Å; L302-L362 HydrophobicContact CD2-CB 3.89Å; L302-L365 HydrophobicContact CD1-CD2 3.93Å; L302-L365 HydrophobicContact CG-CD2 4.28Å
303	K	89.6	Confident	86.4	Confident	4 Å²	4	30.8 Å²	30.8	2%	0.017	16%	0.162	C	C	.	.	S	Bend	trans	-164.6	166.7	-179.7	61.8	-166.5	-176.6	-156	0	111.2	S83 D301 E305 N306 V307 S338 Y341	S83-K303 PolarHBondContact OG-NZ 2.63Å; D301-K303 PolarHBondContact O-N 3.48Å; D301-K303 IonicContact OD1-NZ 2.82Å; D301-K303 PolarHBondContact OD1-NZ 3.14Å; D301-K303 WeakPolarHBondContact OD2-CE 3.24Å; D301-K303 IonicContact OD2-NZ 3.23Å; D301-K303 PolarHBondContact OD2-NZ 3.11Å; K303-E305 HydrophobicContact CD-CB 4.27Å; K303-E305 HydrophobicContact CG-CB 4.02Å; K303-E305 WeakPolarHBondContact CG-OE2 3.29Å; K303-E305 PolarHBondContact O-N 2.84Å; K303-N306 WeakPolarHBondContact CE-ND2 3.45Å; K303-N306 WeakPolarHBondContact CE-OD1 3.45Å; K303-N306 HydrophobicContact CG-CB 4.11Å; K303-N306 PolarHBondContact O-N 3.14Å; K303-V307 PolarHBondContact O-N 2.83Å; K303-S338 WeakPolarHBondContact CD-OG 3.44Å; K303-S338 PolarHBondContact NZ-OG 3.22Å; K303-Y341 HydrophobicContact CB-CD1 4.09Å; K303-Y341 HydrophobicContact CB-CD2 3.78Å; K303-Y341 HydrophobicContact CB-CE1 3.9Å; K303-Y341 HydrophobicContact CB-CE2 3.56Å; K303-Y341 HydrophobicContact CB-CG 4.03Å
304	A	91.8	Very high	86.3	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-24.1	-178.2	0	0	0	0	0	113.9	L263 N264 L267 Y341 L365 Y368	L263-A304 WeakPolarHBondContact CB-O 3.48Å; L263-A304 HydrophobicContact CG-CB 4.43Å; L263-A304 PolarHBondContact N-O 2.8Å; N264-A304 HydrophobicContact CB-CB 3.72Å; N264-A304 PolarHBondContact N-O 2.82Å; L267-A304 HydrophobicContact CD1-CB 4.34Å; A304-Y341 WeakPolarHBondContact CB-OH 3.15Å; A304-Y341 PolarHBondContact N-OH 3.15Å; A304-L365 HydrophobicContact CB-CD1 3.68Å; A304-Y368 HydrophobicContact CB-CD1 3.98Å; A304-Y368 HydrophobicContact CB-CE1 3.91Å
305	E	86.2	Confident	86.4	Confident	37 Å²	37	26.2 Å²	26.2	17%	0.173	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-35.2	172.9	-69.3	73.6	-171.9	0	0	112.4	A81 E262 N264 K303	A81-E305 HydrophobicContact CB-CB 3.93Å; A81-E305 HydrophobicContact CB-CG 4.03Å; E262-E305 VanDerWaalsContact CG-O 3.31Å; E262-E305 WeakPolarHBondContact CG-O 3.38Å; N264-E305 HydrophobicContact CB-CG 4.09Å; N264-E305 WeakPolarHBondContact ND2-CG 3.42Å; N264-E305 PolarHBondContact ND2-OE1 2.68Å; K303-E305 HydrophobicContact CD-CB 4.27Å; K303-E305 HydrophobicContact CG-CB 4.02Å; K303-E305 WeakPolarHBondContact CG-OE2 3.29Å; K303-E305 PolarHBondContact O-N 2.84Å
306	N	86.8	Confident	86.7	Confident	4 Å²	4	23.6 Å²	23.6	2%	0.021	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-0.8	-173.5	-69.7	2.5	0	0	0	112.5	D301 K303 G318 D319	D301-N306 PolarHBondContact O-ND2 2.88Å; D301-N306 PolarHBondContact OD2-ND2 2.84Å; K303-N306 WeakPolarHBondContact CE-ND2 3.45Å; K303-N306 WeakPolarHBondContact CE-OD1 3.45Å; K303-N306 HydrophobicContact CG-CB 4.11Å; K303-N306 PolarHBondContact O-N 3.14Å; N306-G318 PolarHBondContact O-N 2.86Å; N306-D319 HydrophobicContact CB-CB 4.48Å
307	V	93.1	Very high	87.1	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	117.7	171.7	177.1	0	0	0	0	109.4	E262 L263 I285 L302 K303 V315 L317 L365	E262-V307 WeakPolarHBondContact CA-O 3.39Å; L263-V307 HydrophobicContact CB-CB 4.07Å; L263-V307 HydrophobicContact CB-CG1 4.07Å; L263-V307 WeakPolarHBondContact CB-O 3.14Å; L263-V307 HydrophobicContact CD2-CB 4.13Å; L263-V307 HydrophobicContact CD2-CG1 3.89Å; L263-V307 PolarHBondContact N-O 2.85Å; I285-V307 HydrophobicContact CD1-CG1 4.11Å; I285-V307 HydrophobicContact CD1-CG2 3.93Å; I285-V307 HydrophobicContact CG1-CG1 4.41Å; I285-V307 HydrophobicContact CG1-CG2 4.2Å; L302-V307 HydrophobicContact CD1-CG2 4.14Å; K303-V307 PolarHBondContact O-N 2.83Å; V307-V315 HydrophobicContact CG1-CB 3.79Å; V307-V315 HydrophobicContact CG1-CG1 3.94Å; V307-V315 HydrophobicContact CG1-CG2 4.3Å; V307-L317 HydrophobicContact CG2-CD1 4.2Å; V307-L365 HydrophobicContact CG2-CD2 3.97Å
308	F	91.7	Very high	87.2	Confident	48 Å²	48	22.3 Å²	22.3	21%	0.211	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	132.9	-178	-63	-86.3	0	0	0	111.2	I239 A258 E262 V315 K316	I239-F308 HydrophobicContact CD1-CB 4.21Å; I239-F308 HydrophobicContact CD1-CD2 4.15Å; I239-F308 HydrophobicContact CD1-CG 4.31Å; I239-F308 HydrophobicContact CG1-CD2 3.85Å; I239-F308 HydrophobicContact CG1-CE2 4.46Å; A258-F308 HydrophobicContact CB-CB 3.6Å; A258-F308 HydrophobicContact CB-CD1 4.11Å; A258-F308 HydrophobicContact CB-CG 4.07Å; E262-F308 HydrophobicContact CG-CD1 4.4Å; E262-F308 HydrophobicContact CG-CE1 3.99Å; F308-V315 CarbonylContact O-C 3.51Å; F308-V315 VanDerWaalsContact O-CA 3.24Å; F308-V315 WeakPolarHBondContact O-CA 3.48Å; F308-K316 PolarHBondContact N-O 2.82Å; F308-K316 PolarHBondContact O-N 2.82Å
309	I	89.9	Confident	86.5	Confident	7 Å²	7	23 Å²	23	4%	0.036	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	124.6	174	-56.5	174.6	0	0	0	108.2	K260 G261 L263 Y266 N311 V315	K260-I309 HydrophobicContact CB-CB 4.2Å; K260-I309 HydrophobicContact CB-CG2 4.24Å; K260-I309 WeakPolarHBondContact CB-O 3.41Å; K260-I309 HydrophobicContact CD-CG2 4.09Å; G261-I309 PolarHBondContact O-N 3.23Å; L263-I309 HydrophobicContact CD1-CD1 4.34Å; Y266-I309 HydrophobicContact CD2-CD1 3.86Å; Y266-I309 HydrophobicContact CG-CD1 3.88Å; I309-N311 VanDerWaalsContact CG2-O 3.27Å; I309-N311 WeakPolarHBondContact CG2-O 3.26Å; I309-V315 HydrophobicContact CG1-CG1 4.18Å
310	V	85.5	Confident	85.6	Confident	21 Å²	21	24.4 Å²	24.4	13%	0.127	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	-52.7	171	-178.8	0	0	0	0	108.8	K260 Y314 K316	K260-V310 WeakPolarHBondContact CD-O 3.39Å; K260-V310 WeakPolarHBondContact CE-O 3.22Å; V310-Y314 PolarHBondContact N-O 2.89Å; V310-K316 HydrophobicContact CG2-CB 4.41Å; V310-K316 HydrophobicContact CG2-CD 3.76Å; V310-K316 HydrophobicContact CG2-CG 3.81Å
311	N	83.2	Confident	84.5	Confident	39 Å²	39	24.5 Å²	24.5	21%	0.209	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	-179.4	170.8	70.6	62.6	0	0	0	110.1	I309 M313 Y314	I309-N311 VanDerWaalsContact CG2-O 3.27Å; I309-N311 WeakPolarHBondContact CG2-O 3.26Å; N311-M313 PolarHBondContact O-N 3.32Å; N311-M313 PolarHBondContact OD1-N 2.84Å; N311-Y314 PolarHBondContact N-O 3.18Å; N311-Y314 WeakPolarHBondContact ND2-CD2 3.43Å; N311-Y314 PolarHBondContact O-N 3.29Å; N311-Y314 VanDerWaalsContact O-O 3.05Å; N311-Y314 WeakPolarHBondContact OD1-CD2 3.33Å; N311-Y314 PolarHBondContact OD1-N 2.9Å
312	N	81.1	Confident	83	Confident	113 Å²	113	24.8 Å²	24.8	60%	0.604	13%	0.128	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-16.4	-172	-60.1	22.8	0	0	0	113.6	K260 Y281	K260-N312 PolarHBondContact NZ-OD1 3.31Å; Y281-N312 PolarHBondContact OH-O 3.08Å
313	M	83.7	Confident	81.1	Confident	104 Å²	104	26 Å²	26	51%	0.512	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.6	-3.2	177.8	-64.5	-59.5	-62.5	0	0	113	N280 Q284 N311	N280-M313 PolarHBondContact ND2-O 3.05Å; Q284-M313 PolarHBondContact NE2-O 3.14Å; N311-M313 PolarHBondContact O-N 3.32Å; N311-M313 PolarHBondContact OD1-N 2.84Å
314	Y	88.6	Confident	79.7	Confident	53 Å²	53	29.3 Å²	29.3	21%	0.208	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	123.7	-171.2	-80.1	-96.7	0	0	0	112.6	H237 V310 N311	H237-Y314 AromaticContact CE1-CD1 3.79Å; H237-Y314 AromaticContact CE1-CE1 3.97Å; V310-Y314 PolarHBondContact N-O 2.89Å; N311-Y314 PolarHBondContact N-O 3.18Å; N311-Y314 WeakPolarHBondContact ND2-CD2 3.43Å; N311-Y314 PolarHBondContact O-N 3.29Å; N311-Y314 VanDerWaalsContact O-O 3.05Å; N311-Y314 WeakPolarHBondContact OD1-CD2 3.33Å; N311-Y314 PolarHBondContact OD1-N 2.9Å
315	V	93.2	Very high	78.2	Confident	1 Å²	1	32.4 Å²	32.4	1%	0.006	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	157.3	168.6	-70.5	0	0	0	0	111.5	H237 Y281 Q284 I285 V307 F308 I309	H237-V315 PolarHBondContact ND1-O 2.81Å; Y281-V315 HydrophobicContact CD1-CB 4.41Å; Y281-V315 HydrophobicContact CD1-CG1 3.63Å; Y281-V315 HydrophobicContact CD1-CG2 4Å; Y281-V315 HydrophobicContact CD2-CG1 3.85Å; Y281-V315 HydrophobicContact CE1-CG1 3.71Å; Y281-V315 HydrophobicContact CE2-CG1 3.93Å; Y281-V315 HydrophobicContact CG-CG1 3.7Å; Y281-V315 HydrophobicContact CG-CG2 4.08Å; Q284-V315 HydrophobicContact CB-CG2 3.87Å; Q284-V315 PolarHBondContact OE1-O 2.9Å; I285-V315 HydrophobicContact CG1-CG2 4.3Å; V307-V315 HydrophobicContact CG1-CB 3.79Å; V307-V315 HydrophobicContact CG1-CG1 3.94Å; V307-V315 HydrophobicContact CG1-CG2 4.3Å; F308-V315 CarbonylContact O-C 3.51Å; F308-V315 VanDerWaalsContact O-CA 3.24Å; F308-V315 WeakPolarHBondContact O-CA 3.48Å; I309-V315 HydrophobicContact CG1-CG1 4.18Å
316	K	91.7	Very high	77.1	Confident	5 Å²	5	31.6 Å²	31.6	2%	0.022	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	131.9	171	-72.4	-179.4	172.1	-118.3	0	110.3	P236 H237 I238 I239 E256 F308 V310	P236-K316 WeakPolarHBondContact O-CE 3.47Å; P236-K316 PolarHBondContact O-NZ 3.04Å; P236-K316 VanDerWaalsContact O-NZ 3.15Å; H237-K316 CarbonylContact O-C 3.53Å; H237-K316 WeakPolarHBondContact O-CA 3.41Å; I238-K316 PolarHBondContact O-NZ 3.23Å; I238-K316 VanDerWaalsContact O-NZ 3.14Å; I239-K316 HydrophobicContact CD1-CB 3.74Å; I239-K316 HydrophobicContact CD1-CD 4Å; I239-K316 HydrophobicContact CG1-CB 3.95Å; E256-K316 WeakPolarHBondContact OE1-CE 3.17Å; E256-K316 IonicContact OE1-NZ 3.33Å; E256-K316 WeakPolarHBondContact OE2-CD 3.25Å; E256-K316 VanDerWaalsContact OE2-CE 3.27Å; E256-K316 WeakPolarHBondContact OE2-CE 3.28Å; E256-K316 IonicContact OE2-NZ 3.82Å; E256-K316 PolarHBondContact OE2-NZ 2.85Å; F308-K316 PolarHBondContact N-O 2.82Å; F308-K316 PolarHBondContact O-N 2.82Å; V310-K316 HydrophobicContact CG2-CB 4.41Å; V310-K316 HydrophobicContact CG2-CD 3.76Å; V310-K316 HydrophobicContact CG2-CG 3.81Å
317	L	91.6	Very high	76	Confident	1 Å²	1	34 Å²	34	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	131.9	167.2	-175	58	0	0	0	109.2	H237 I238 I239 A288 L289 L292 L302 V307	H237-L317 PolarHBondContact O-N 2.87Å; I238-L317 CarbonylContact C-O 3.52Å; I238-L317 WeakPolarHBondContact CA-O 3.34Å; I239-L317 PolarHBondContact N-O 2.99Å; A288-L317 HydrophobicContact CB-CB 4.29Å; A288-L317 HydrophobicContact CB-CD2 4.31Å; L289-L317 HydrophobicContact CD2-CD2 4.12Å; L292-L317 HydrophobicContact CD1-CD2 3.95Å; L302-L317 HydrophobicContact CD1-CD1 3.63Å; V307-L317 HydrophobicContact CG2-CD1 4.2Å
318	G	85	Confident	74.4	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.232	C	C	.	.			trans	-137.1	-175	174.6	0	0	0	0	0	111.6	H299 N306	H299-G318 PolarHBondContact NE2-O 2.7Å; N306-G318 PolarHBondContact O-N 2.86Å
319	D	70.1	Confident	73.1	Confident	16 Å²	16	44.9 Å²	44.9	9%	0.086	26%	0.258	C	S	.	.			trans	58	76.3	-174.9	-171.9	27.6	0	0	0	115.7	E84 K208 N306 G321	E84-D319 WeakPolarHBondContact CG-OD2 3.35Å; K208-D319 IonicContact NZ-OD1 2.75Å; K208-D319 PolarHBondContact NZ-OD1 3.46Å; N306-D319 HydrophobicContact CB-CB 4.48Å; D319-G321 PolarHBondContact O-N 2.79Å; D319-G321 VanDerWaalsContact O-N 3.14Å; D319-G321 PolarHBondContact OD1-N 3.38Å
320	F	64.6	Low	72.1	Confident	30 Å²	30	46.5 Å²	46.5	13%	0.132	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-75.9	18.3	169.6	-62.5	-69.7	0	0	0	114.3	I238 L292 H299 F322 S323	I238-F320 HydrophobicContact CD1-CZ 4.17Å; I238-F320 HydrophobicContact CG1-CZ 4.29Å; I238-F320 HydrophobicContact CG2-CE2 3.59Å; I238-F320 HydrophobicContact CG2-CZ 3.53Å; L292-F320 HydrophobicContact CD1-CE1 3.76Å; L292-F320 HydrophobicContact CD1-CZ 4.41Å; L292-F320 HydrophobicContact CD2-CD1 4.22Å; L292-F320 HydrophobicContact CD2-CE1 3.44Å; L292-F320 VanDerWaalsContact CD2-CE1 3.44Å; L292-F320 HydrophobicContact CD2-CZ 4.03Å; L292-F320 HydrophobicContact CG-CE1 4.24Å; H299-F320 AromaticContact CD2-CD1 3.8Å; H299-F320 AromaticContact CD2-CE1 3.69Å; F320-F322 PolarHBondContact O-N 3.28Å; F320-F322 VanDerWaalsContact O-N 3.14Å; F320-S323 WeakPolarHBondContact O-CB 3.45Å; F320-S323 PolarHBondContact O-N 2.75Å; F320-S323 PolarHBondContact O-OG 2.89Å
321	G	56.9	Low	71.3	Confident	28 Å²	28	48.3 Å²	48.3	29%	0.289	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-60	-26	-175.3	0	0	0	0	0	114.9	D319	D319-G321 PolarHBondContact O-N 2.79Å; D319-G321 VanDerWaalsContact O-N 3.14Å; D319-G321 PolarHBondContact OD1-N 3.38Å
322	F	47.4	Very low	70.5	Confident	7 Å²	7	46.6 Å²	46.6	3%	0.031	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-101.5	2.2	171.8	-69.2	-80.8	0	0	0	113.6	G87 H299 R300 D301 F320 C336	G87-F322 VanDerWaalsContact CA-CZ 3.47Å; H299-F322 CarbonylContact O-C 3.03Å; R300-F322 HydrophobicContact CB-CB 4.3Å; R300-F322 PolarHBondContact NE-O 3.03Å; R300-F322 PolarHBondContact NH2-O 3.5Å; D301-F322 HydrophobicContact CB-CB 3.94Å; D301-F322 HydrophobicContact CB-CD2 3.42Å; D301-F322 VanDerWaalsContact CB-CD2 3.42Å; D301-F322 HydrophobicContact CB-CE2 4.19Å; D301-F322 HydrophobicContact CB-CG 3.94Å; D301-F322 WeakPolarHBondContact OD2-CD2 3.49Å; D301-F322 WeakPolarHBondContact OD2-CE2 3.43Å; F320-F322 PolarHBondContact O-N 3.28Å; F320-F322 VanDerWaalsContact O-N 3.14Å; F322-C336 HydrophobicContact CD1-CB 3.38Å; F322-C336 HydrophobicContact CE1-CB 3.53Å; F322-C336 HydrophobicContact CG-CB 4.41Å
323	S	52	Low	69.6	Low	28 Å²	28	45.4 Å²	45.4	20%	0.196	28%	0.277	C	S	.	.			trans	-63.2	153.7	-177.1	75.2	0	0	0	0	111.7	V298 F320	V298-S323 WeakPolarHBondContact O-CA 3.49Å; V298-S323 WeakPolarHBondContact O-CB 3.37Å; F320-S323 WeakPolarHBondContact O-CB 3.45Å; F320-S323 PolarHBondContact O-N 2.75Å; F320-S323 PolarHBondContact O-OG 2.89Å
324	K	59.9	Low	68.3	Low	73 Å²	73	41.5 Å²	41.5	32%	0.317	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	141.8	175.2	-175.6	166.3	169.3	-171	0	109.9	V297 V298 V326 L332	V297-K324 WeakPolarHBondContact CA-O 3.27Å; V298-K324 PolarHBondContact N-O 2.84Å; V298-K324 PolarHBondContact O-N 3.29Å; V298-K324 VanDerWaalsContact O-N 3.13Å; K324-V326 HydrophobicContact CB-CG2 4.4Å; K324-V326 HydrophobicContact CG-CG2 4.34Å; K324-V326 WeakPolarHBondContact O-CG2 3.3Å; K324-L332 HydrophobicContact CD-CD2 3.65Å; K324-L332 HydrophobicContact CG-CD2 4.44Å
325	C	60.8	Low	66.7	Low	66 Å²	66	39.2 Å²	39.2	45%	0.446	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	128.3	166.7	-58.2	0	0	0	0	109.2	N229 G296	N229-C325 PolarHBondContact ND2-SG 2.84Å; G296-C325 CarbonylContact O-C 3.52Å; G296-C325 VanDerWaalsContact O-CA 3.25Å; G296-C325 WeakPolarHBondContact O-CA 3.49Å
326	V	62.8	Low	65	Low	20 Å²	20	39.9 Å²	39.9	12%	0.121	26%	0.255	C	S	.	.			trans	-134.7	134.3	-172.8	-156.7	0	0	0	0	107	G296 V298 K324 A330 L332	G296-V326 PolarHBondContact O-N 2.82Å; V298-V326 HydrophobicContact CB-CG2 4.23Å; V298-V326 HydrophobicContact CG2-CB 4.35Å; V298-V326 HydrophobicContact CG2-CG2 3.62Å; K324-V326 HydrophobicContact CB-CG2 4.4Å; K324-V326 HydrophobicContact CG-CG2 4.34Å; K324-V326 WeakPolarHBondContact O-CG2 3.3Å; V326-A330 HydrophobicContact CG1-CB 3.66Å; V326-A330 WeakPolarHBondContact CG1-O 3.35Å; V326-L332 HydrophobicContact CG1-CD2 4.02Å; V326-L332 HydrophobicContact CG1-CG 4.23Å; V326-L332 HydrophobicContact CG2-CD1 4.09Å; V326-L332 HydrophobicContact CG2-CD2 4.12Å; V326-L332 HydrophobicContact CG2-CG 4.46Å
327	A	63.9	Low	63.4	Low	53 Å²	53	39.8 Å²	39.8	44%	0.438	26%	0.256	S	S	.	.			trans	-65.2	153.6	163.9	0	0	0	0	0	108.7	D329 A330	A327-D329 PolarHBondContact O-N 2.66Å; A327-A330 HydrophobicContact CB-CB 3.99Å; A327-A330 PolarHBondContact O-N 2.99Å
328	P	58.3	Low	62.4	Low	135 Å²	135	40.3 Å²	40.3	88%	0.877	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-25.8	-172.4	-28.5	36.5	0	0	0	115.3
329	D	64.1	Low	62.1	Low	143 Å²	143	40.8 Å²	40.8	77%	0.765	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.5	-2.1	-176.8	60.4	-24.6	0	0	0	114.2	A327 A331	A327-D329 PolarHBondContact O-N 2.66Å; D329-A331 PolarHBondContact O-N 3.02Å
330	A	69.3	Low	62.8	Low	40 Å²	40	41 Å²	41	33%	0.331	26%	0.264	S	S	.	.			trans	-78.1	118.5	-171.8	0	0	0	0	0	112.9	V326 A327	V326-A330 HydrophobicContact CG1-CB 3.66Å; V326-A330 WeakPolarHBondContact CG1-O 3.35Å; A327-A330 HydrophobicContact CB-CB 3.99Å; A327-A330 PolarHBondContact O-N 2.99Å
331	A	70.1	Confident	64	Low	59 Å²	59	40.1 Å²	40.1	49%	0.488	26%	0.26	S	S	.	.			trans	-70.7	141.8	174	0	0	0	0	0	112.2	D329	D329-A331 PolarHBondContact O-N 3.02Å
332	L	66.1	Low	65.4	Low	3 Å²	3	39 Å²	39	2%	0.016	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-107.3	131.6	-177.6	-66.9	-179.3	0	0	0	112.1	K324 V326 S351 Y352	K324-L332 HydrophobicContact CD-CD2 3.65Å; K324-L332 HydrophobicContact CG-CD2 4.44Å; V326-L332 HydrophobicContact CG1-CD2 4.02Å; V326-L332 HydrophobicContact CG1-CG 4.23Å; V326-L332 HydrophobicContact CG2-CD1 4.09Å; V326-L332 HydrophobicContact CG2-CD2 4.12Å; V326-L332 HydrophobicContact CG2-CG 4.46Å; L332-S351 CarbonylContact O-C 3.48Å; L332-S351 WeakPolarHBondContact O-CA 3.22Å; L332-Y352 HydrophobicContact CB-CD1 4.07Å; L332-Y352 HydrophobicContact CB-CD2 4.03Å; L332-Y352 HydrophobicContact CB-CE1 3.68Å; L332-Y352 HydrophobicContact CB-CE2 3.64Å; L332-Y352 HydrophobicContact CB-CG 4.24Å; L332-Y352 VanDerWaalsContact CB-CZ 3.44Å; L332-Y352 HydrophobicContact CD1-CD2 4.27Å; L332-Y352 HydrophobicContact CD1-CE2 3.52Å; L332-Y352 HydrophobicContact CG-CE2 4.19Å; L332-Y352 PolarHBondContact N-O 3.34Å; L332-Y352 WeakPolarHBondContact O-CD1 3.42Å; L332-Y352 VanDerWaalsContact O-CE1 3.25Å; L332-Y352 WeakPolarHBondContact O-CE1 3.44Å; L332-Y352 PolarHBondContact O-N 3.39Å
333	T	60.7	Low	67.5	Low	88 Å²	88	38.6 Å²	38.6	54%	0.54	25%	0.246	S	C	.	.			trans	-109.4	0.5	-178.3	56.2	0	0	0	0	114.4	F335	T333-F335 WeakPolarHBondContact O-CD2 3.48Å; T333-F335 WeakPolarHBondContact O-CE2 3.41Å
334	T	57.3	Low	69.4	Low	22 Å²	22	37.7 Å²	37.7	14%	0.135	24%	0.24	C	C	.	.			trans	-99.5	113.2	179.7	-42.8	0	0	0	0	109.5	R300 Y352	R300-T334 PolarHBondContact NH1-O 3.03Å; T334-Y352 WeakPolarHBondContact O-CE1 3.45Å; T334-Y352 PolarHBondContact O-OH 3.16Å
335	F	55.5	Low	70.9	Confident	6 Å²	6	35 Å²	35	3%	0.026	23%	0.228	C	C	.	.			trans	-92.8	116.1	-173.9	-61.7	-91.8	0	0	0	109.9	D59 R61 T333 L346 A349 D350 Y352	D59-F335 WeakPolarHBondContact CA-O 3.48Å; D59-F335 WeakPolarHBondContact CB-O 3.4Å; D59-F335 WeakPolarHBondContact OD1-CB 3.31Å; R61-F335 HydrophobicContact CG-CB 4.27Å; R61-F335 HydrophobicContact CG-CD1 4.38Å; R61-F335 HydrophobicContact CG-CG 4.14Å; R61-F335 VanDerWaalsContact CZ-CD2 3.4Å; T333-F335 WeakPolarHBondContact O-CD2 3.48Å; T333-F335 WeakPolarHBondContact O-CE2 3.41Å; F335-L346 HydrophobicContact CD1-CB 4.12Å; F335-L346 HydrophobicContact CD1-CD2 4.11Å; F335-L346 WeakPolarHBondContact CD1-O 3.37Å; F335-L346 HydrophobicContact CE1-CD2 4.48Å; F335-L346 WeakPolarHBondContact CE1-O 3.24Å; F335-A349 WeakPolarHBondContact CE1-O 3.48Å; F335-A349 WeakPolarHBondContact CZ-O 3.44Å; F335-D350 WeakPolarHBondContact CZ-O 3.45Å; F335-Y352 HydrophobicContact CD1-CD1 4.34Å; F335-Y352 HydrophobicContact CD1-CE1 4.27Å; F335-Y352 AromaticContact CE1-CD1 3.95Å; F335-Y352 HydrophobicContact CE1-CD1 3.95Å; F335-Y352 HydrophobicContact CE1-CE1 4.26Å; F335-Y352 HydrophobicContact CZ-CD1 4.4Å
336	C	57.2	Low	72	Confident	15 Å²	15	32 Å²	32	10%	0.101	21%	0.208	C	C	.	.			trans	-148.6	149.7	-178.2	-61.1	0	0	0	0	109.4	F322	F322-C336 HydrophobicContact CD1-CB 3.38Å; F322-C336 HydrophobicContact CE1-CB 3.53Å; F322-C336 HydrophobicContact CG-CB 4.41Å
337	G	56.9	Low	72.9	Confident	3 Å²	3	31.4 Å²	31.4	3%	0.031	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	156.6	-173.4	167.9	0	0	0	0	0	112.1	G57 V58	G57-G337 CarbonylContact C-O 3.53Å; V58-G337 PolarHBondContact N-O 2.82Å; V58-G337 VanDerWaalsContact N-O 3.16Å; V58-G337 PolarHBondContact O-N 3.2Å
338	S	71.3	Confident	73.8	Confident	11 Å²	11	33.8 Å²	33.8	8%	0.077	21%	0.212	C	C	.	.			trans	-96.4	117.5	173.4	-59.1	0	0	0	0	109	D301 K303 P340 Y341 A342	D301-S338 PolarHBondContact OD1-N 2.75Å; D301-S338 PolarHBondContact OD1-OG 3.24Å; K303-S338 WeakPolarHBondContact CD-OG 3.44Å; K303-S338 PolarHBondContact NZ-OG 3.22Å; S338-P340 WeakPolarHBondContact O-CD 3.37Å; S338-P340 VanDerWaalsContact O-N 3.08Å; S338-Y341 PolarHBondContact O-N 3.49Å; S338-A342 PolarHBondContact O-N 3.09Å
339	P	78.4	Confident	74.8	Confident	11 Å²	11	28.9 Å²	28.9	7%	0.071	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-49.4	-39.5	-167.2	-29.9	33	0	0	0	117.5	T56 V58 I60 Y341 A342 L381 I384	T56-P339 WeakPolarHBondContact O-CD 3.38Å; V58-P339 HydrophobicContact CG2-CG 3.48Å; V58-P339 VanDerWaalsContact CG2-CG 3.48Å; I60-P339 HydrophobicContact CG2-CG 4.21Å; P339-Y341 PolarHBondContact O-N 2.69Å; P339-A342 WeakPolarHBondContact O-CB 3.45Å; P339-A342 PolarHBondContact O-N 2.93Å; P339-L381 HydrophobicContact CB-CD1 3.59Å; P339-L381 HydrophobicContact CG-CD1 3.8Å; P339-I384 HydrophobicContact CB-CG2 4.49Å
340	P	85	Confident	75.3	Confident	19 Å²	19	28.1 Å²	28.1	12%	0.123	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-67.9	-17.9	178.8	-20.1	33.9	0	0	0	114.4	S338 V364 L374	S338-P340 WeakPolarHBondContact O-CD 3.37Å; S338-P340 VanDerWaalsContact O-N 3.08Å; P340-V364 WeakPolarHBondContact O-CG1 3.47Å; P340-L374 HydrophobicContact CB-CD1 3.85Å; P340-L374 HydrophobicContact CB-CD2 4.43Å; P340-L374 HydrophobicContact CG-CD1 4.25Å
341	Y	89.4	Confident	75.6	Confident	13 Å²	13	28.8 Å²	28.8	5%	0.051	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-105.5	-2.3	178	-60	-96.7	0	0	0	112.5	K303 A304 S338 P339 V364 L365 L374	K303-Y341 HydrophobicContact CB-CD1 4.09Å; K303-Y341 HydrophobicContact CB-CD2 3.78Å; K303-Y341 HydrophobicContact CB-CE1 3.9Å; K303-Y341 HydrophobicContact CB-CE2 3.56Å; K303-Y341 HydrophobicContact CB-CG 4.03Å; A304-Y341 WeakPolarHBondContact CB-OH 3.15Å; A304-Y341 PolarHBondContact N-OH 3.15Å; S338-Y341 PolarHBondContact O-N 3.49Å; P339-Y341 PolarHBondContact O-N 2.69Å; Y341-V364 HydrophobicContact CD1-CB 3.84Å; Y341-V364 HydrophobicContact CD1-CG1 3.4Å; Y341-V364 VanDerWaalsContact CD1-CG1 3.4Å; Y341-V364 HydrophobicContact CE1-CB 4.43Å; Y341-V364 HydrophobicContact CE1-CG1 3.76Å; Y341-V364 HydrophobicContact CG-CG1 3.93Å; Y341-L365 HydrophobicContact CE1-CB 4.27Å; Y341-L365 HydrophobicContact CE1-CD1 4.37Å; Y341-L374 HydrophobicContact CE1-CD2 4.21Å; Y341-L374 HydrophobicContact CE2-CD2 4.08Å
342	A	87.8	Confident	76	Confident	3 Å²	3	26.4 Å²	26.4	3%	0.025	16%	0.16	C	C	.	.			trans	-73.7	136.4	-177.1	0	0	0	0	0	111.3	I60 S338 P339 L346 F347 W360	I60-A342 HydrophobicContact CD1-CB 4.04Å; I60-A342 HydrophobicContact CG2-CB 4.45Å; S338-A342 PolarHBondContact O-N 3.09Å; P339-A342 WeakPolarHBondContact O-CB 3.45Å; P339-A342 PolarHBondContact O-N 2.93Å; A342-L346 HydrophobicContact CB-CD1 4.12Å; A342-F347 HydrophobicContact CB-CE2 3.69Å; A342-F347 HydrophobicContact CB-CZ 3.84Å; A342-W360 PolarHBondContact O-NE1 2.68Å
343	A	91.5	Very high	76.8	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	18%	0.182	C	C	.	.			trans	-76.7	151.7	179.1	0	0	0	0	0	112.4	E345 L346 F347 V357 W360	A343-E345 VanDerWaalsContact C-N 3.29Å; A343-E345 VanDerWaalsContact CB-CD 3.47Å; A343-E345 HydrophobicContact CB-CG 4.48Å; A343-E345 WeakPolarHBondContact CB-OE1 3.25Å; A343-E345 WeakPolarHBondContact CB-OE2 3.47Å; A343-E345 PolarHBondContact O-N 2.91Å; A343-L346 HydrophobicContact CB-CG 4.46Å; A343-L346 WeakPolarHBondContact O-CB 3.44Å; A343-L346 PolarHBondContact O-N 2.99Å; A343-L346 VanDerWaalsContact O-N 3.1Å; A343-F347 WeakPolarHBondContact O-CD2 3.04Å; A343-V357 HydrophobicContact CB-CB 4.41Å; A343-V357 HydrophobicContact CB-CG1 4.25Å; A343-V357 HydrophobicContact CB-CG2 4.16Å; A343-W360 VanDerWaalsContact CA-CD1 3.47Å; A343-W360 HydrophobicContact CB-CB 3.8Å; A343-W360 HydrophobicContact CB-CD2 4.19Å; A343-W360 HydrophobicContact CB-CG 3.65Å
344	P	92	Very high	78	Confident	8 Å²	8	25.8 Å²	25.8	5%	0.052	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-52.8	-42.1	-177.4	-28	35	0	0	0	114.1	L346 F347 W360 I388 L389 N413	P344-L346 PolarHBondContact O-N 2.79Å; P344-F347 WeakPolarHBondContact O-CB 3.44Å; P344-F347 PolarHBondContact O-N 3.5Å; P344-W360 HydrophobicContact CG-CE3 4.17Å; P344-W360 HydrophobicContact CG-CH2 3.51Å; P344-W360 HydrophobicContact CG-CZ2 3.95Å; P344-W360 HydrophobicContact CG-CZ3 3.63Å; P344-I388 HydrophobicContact CB-CG2 4.15Å; P344-I388 HydrophobicContact CG-CG2 3.72Å; P344-L389 HydrophobicContact CB-CD2 4.03Å; P344-N413 HydrophobicContact CG-CB 4.27Å
345	E	90.8	Very high	79.7	Confident	18 Å²	18	26.7 Å²	26.7	8%	0.084	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-61.3	-29.6	-178.2	62.8	-85.9	-159.4	0	0	112.8	A343 F347 V348 A349 V357 V415 R418	A343-E345 VanDerWaalsContact C-N 3.29Å; A343-E345 VanDerWaalsContact CB-CD 3.47Å; A343-E345 HydrophobicContact CB-CG 4.48Å; A343-E345 WeakPolarHBondContact CB-OE1 3.25Å; A343-E345 WeakPolarHBondContact CB-OE2 3.47Å; A343-E345 PolarHBondContact O-N 2.91Å; E345-F347 PolarHBondContact O-N 3.34Å; E345-F347 VanDerWaalsContact O-N 3.16Å; E345-V348 PolarHBondContact O-N 2.79Å; E345-A349 HydrophobicContact CB-CB 4.4Å; E345-A349 WeakPolarHBondContact O-CB 3.48Å; E345-A349 PolarHBondContact O-N 2.81Å; E345-V357 HydrophobicContact CG-CG2 4.42Å; E345-V357 WeakPolarHBondContact OE1-CG2 3.44Å; E345-V415 HydrophobicContact CB-CG2 4.32Å; E345-V415 HydrophobicContact CG-CG2 4.15Å; E345-R418 IonicContact OE1-CZ 3.46Å; E345-R418 IonicContact OE1-NH1 3.75Å; E345-R418 PolarHBondContact OE1-NH1 3.39Å; E345-R418 IonicContact OE1-NH2 2.74Å; E345-R418 IonicContact OE2-CZ 2.77Å; E345-R418 IonicContact OE2-NH1 3.27Å; E345-R418 PolarHBondContact OE2-NH1 3.44Å; E345-R418 IonicContact OE2-NH2 3.58Å; E345-R418 PolarHBondContact OE2-NH2 3.44Å
346	L	84.7	Confident	81.5	Confident	2 Å²	2	27 Å²	27	1%	0.01	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-64.9	-20.3	176.6	-59.6	178.6	0	0	0	112.6	I60 F335 A342 A343 P344 Y352 V357	I60-L346 HydrophobicContact CD1-CB 3.29Å; I60-L346 HydrophobicContact CD1-CD1 4.24Å; I60-L346 HydrophobicContact CD1-CG 4.42Å; I60-L346 HydrophobicContact CG1-CB 4.44Å; F335-L346 HydrophobicContact CD1-CB 4.12Å; F335-L346 HydrophobicContact CD1-CD2 4.11Å; F335-L346 WeakPolarHBondContact CD1-O 3.37Å; F335-L346 HydrophobicContact CE1-CD2 4.48Å; F335-L346 WeakPolarHBondContact CE1-O 3.24Å; A342-L346 HydrophobicContact CB-CD1 4.12Å; A343-L346 HydrophobicContact CB-CG 4.46Å; A343-L346 WeakPolarHBondContact O-CB 3.44Å; A343-L346 PolarHBondContact O-N 2.99Å; A343-L346 VanDerWaalsContact O-N 3.1Å; P344-L346 PolarHBondContact O-N 2.79Å; L346-Y352 HydrophobicContact CD2-CD1 3.38Å; L346-Y352 HydrophobicContact CD2-CD2 3.8Å; L346-Y352 HydrophobicContact CD2-CE1 3.5Å; L346-Y352 VanDerWaalsContact CD2-CE1 3.5Å; L346-Y352 HydrophobicContact CD2-CE2 3.89Å; L346-Y352 HydrophobicContact CD2-CG 3.54Å; L346-V357 HydrophobicContact CD1-CG1 3.83Å; L346-V357 HydrophobicContact CD2-CG2 4.03Å; L346-V357 HydrophobicContact CG-CG1 4.4Å; L346-V357 HydrophobicContact CG-CG2 4.24Å
347	F	81.4	Confident	83.2	Confident	8 Å²	8	26.6 Å²	26.6	4%	0.035	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-98.9	-8.2	-178.4	-64.6	-83.7	0	0	0	114.5	I60 A342 A343 P344 E345 L381 K385 I388	I60-F347 HydrophobicContact CB-CD1 4.09Å; I60-F347 HydrophobicContact CB-CE1 3.71Å; I60-F347 HydrophobicContact CB-CZ 4.34Å; I60-F347 HydrophobicContact CD1-CD1 3.68Å; I60-F347 HydrophobicContact CD1-CD2 3.98Å; I60-F347 HydrophobicContact CD1-CE1 3.68Å; I60-F347 HydrophobicContact CD1-CE2 3.94Å; I60-F347 HydrophobicContact CD1-CG 3.86Å; I60-F347 HydrophobicContact CD1-CZ 3.81Å; I60-F347 HydrophobicContact CG1-CD1 4.11Å; I60-F347 HydrophobicContact CG1-CE1 4.13Å; I60-F347 HydrophobicContact CG2-CE1 4.17Å; I60-F347 HydrophobicContact CG2-CZ 4.37Å; A342-F347 HydrophobicContact CB-CE2 3.69Å; A342-F347 HydrophobicContact CB-CZ 3.84Å; A343-F347 WeakPolarHBondContact O-CD2 3.04Å; P344-F347 WeakPolarHBondContact O-CB 3.44Å; P344-F347 PolarHBondContact O-N 3.5Å; E345-F347 PolarHBondContact O-N 3.34Å; E345-F347 VanDerWaalsContact O-N 3.16Å; F347-L381 HydrophobicContact CE1-CD1 4.28Å; F347-K385 HydrophobicContact CB-CD 4.16Å; F347-K385 HydrophobicContact CB-CG 4.29Å; F347-K385 HydrophobicContact CD1-CB 4.17Å; F347-K385 HydrophobicContact CD1-CD 3.76Å; F347-K385 HydrophobicContact CD1-CG 3.85Å; F347-K385 HydrophobicContact CE1-CB 4.08Å; F347-K385 HydrophobicContact CE1-CD 4.45Å; F347-K385 HydrophobicContact CE1-CG 4.27Å; F347-K385 HydrophobicContact CG-CD 4.24Å; F347-K385 HydrophobicContact CG-CG 4.11Å; F347-K385 PolarHBondContact O-NZ 3.49Å; F347-I388 HydrophobicContact CD2-CG2 4.37Å; F347-I388 HydrophobicContact CE2-CD1 3.74Å; F347-I388 HydrophobicContact CE2-CG2 4.17Å; F347-I388 HydrophobicContact CZ-CD1 3.99Å
348	V	81.9	Confident	85	Confident	102 Å²	102	26.4 Å²	26.4	62%	0.618	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-135.6	-35.1	-166.4	-176.6	0	0	0	0	113	E345 L389	E345-V348 PolarHBondContact O-N 2.79Å; V348-L389 HydrophobicContact CG2-CD1 3.99Å; V348-L389 HydrophobicContact CG2-CD2 3.54Å; V348-L389 HydrophobicContact CG2-CG 4.44Å
349	A	78.4	Confident	86.3	Confident	33 Å²	33	26.1 Å²	26.1	27%	0.273	16%	0.16	S	C	.	.			trans	-90.9	154.8	-179.6	0	0	0	0	0	111.8	F335 E345 S351	F335-A349 WeakPolarHBondContact CE1-O 3.48Å; F335-A349 WeakPolarHBondContact CZ-O 3.44Å; E345-A349 HydrophobicContact CB-CB 4.4Å; E345-A349 WeakPolarHBondContact O-CB 3.48Å; E345-A349 PolarHBondContact O-N 2.81Å; A349-S351 VanDerWaalsContact C-N 3.34Å; A349-S351 VanDerWaalsContact CB-O 3.26Å; A349-S351 WeakPolarHBondContact CB-O 3.24Å
350	D	74.8	Confident	87.2	Confident	127 Å²	127	25.6 Å²	25.6	68%	0.679	16%	0.156	S	C	*	.	S	Bend	trans	-81.9	-16	171.4	-66.9	-52.4	0	0	0	113.2	R61 F335	R61-D350 IonicContact NH1-OD1 3.43Å; F335-D350 WeakPolarHBondContact CZ-O 3.45Å
351	S	76.7	Confident	87.7	Confident	54 Å²	54	24.9 Å²	24.9	38%	0.378	15%	0.152	S	C	.	.	S	Bend	trans	-149.9	160.5	170.8	70	0	0	0	0	112.4	L332 A349	L332-S351 CarbonylContact O-C 3.48Å; L332-S351 WeakPolarHBondContact O-CA 3.22Å; A349-S351 VanDerWaalsContact C-N 3.34Å; A349-S351 VanDerWaalsContact CB-O 3.26Å; A349-S351 WeakPolarHBondContact CB-O 3.24Å
352	Y	77.6	Confident	88.2	Confident	8 Å²	8	24.3 Å²	24.3	3%	0.031	15%	0.15	C	C	.	.	B	Isolated β-bridge	trans	-141.9	155.1	-177.2	62.1	-87.1	0	0	0	113.5	R300 L332 T334 F335 L346 V357	R300-Y352 WeakPolarHBondContact CD-OH 3.29Å; R300-Y352 PolarHBondContact NH1-OH 3.25Å; L332-Y352 HydrophobicContact CB-CD1 4.07Å; L332-Y352 HydrophobicContact CB-CD2 4.03Å; L332-Y352 HydrophobicContact CB-CE1 3.68Å; L332-Y352 HydrophobicContact CB-CE2 3.64Å; L332-Y352 HydrophobicContact CB-CG 4.24Å; L332-Y352 VanDerWaalsContact CB-CZ 3.44Å; L332-Y352 HydrophobicContact CD1-CD2 4.27Å; L332-Y352 HydrophobicContact CD1-CE2 3.52Å; L332-Y352 HydrophobicContact CG-CE2 4.19Å; L332-Y352 PolarHBondContact N-O 3.34Å; L332-Y352 WeakPolarHBondContact O-CD1 3.42Å; L332-Y352 VanDerWaalsContact O-CE1 3.25Å; L332-Y352 WeakPolarHBondContact O-CE1 3.44Å; L332-Y352 PolarHBondContact O-N 3.39Å; T334-Y352 WeakPolarHBondContact O-CE1 3.45Å; T334-Y352 PolarHBondContact O-OH 3.16Å; F335-Y352 HydrophobicContact CD1-CD1 4.34Å; F335-Y352 HydrophobicContact CD1-CE1 4.27Å; F335-Y352 AromaticContact CE1-CD1 3.95Å; F335-Y352 HydrophobicContact CE1-CD1 3.95Å; F335-Y352 HydrophobicContact CE1-CE1 4.26Å; F335-Y352 HydrophobicContact CZ-CD1 4.4Å; L346-Y352 HydrophobicContact CD2-CD1 3.38Å; L346-Y352 HydrophobicContact CD2-CD2 3.8Å; L346-Y352 HydrophobicContact CD2-CE1 3.5Å; L346-Y352 VanDerWaalsContact CD2-CE1 3.5Å; L346-Y352 HydrophobicContact CD2-CE2 3.89Å; L346-Y352 HydrophobicContact CD2-CG 3.54Å; Y352-V357 HydrophobicContact CD2-CG2 3.53Å; Y352-V357 HydrophobicContact CE2-CG2 4.1Å; Y352-V357 HydrophobicContact CG-CG2 4.25Å
353	T	83.6	Confident	88.7	Confident	77 Å²	77	24.2 Å²	24.2	47%	0.472	15%	0.148	S	C	.	.			trans	-83.6	110.5	171.7	-58.6	0	0	0	0	109.7	A356	T353-A356 PolarHBondContact O-N 3.32Å
354	G	85.7	Confident	89	Confident	1 Å²	1	24.2 Å²	24.2	1%	0.01	15%	0.148	C	C	.	.	H	α-helix	trans	-53.2	-50.8	-172.2	0	0	0	0	0	115.7	V298 A356 V357 D358	V298-G354 VanDerWaalsContact CG1-O 3.31Å; V298-G354 WeakPolarHBondContact CG1-O 3.35Å; G354-A356 VanDerWaalsContact C-N 3.25Å; G354-A356 PolarHBondContact O-N 3.33Å; G354-V357 WeakPolarHBondContact O-CB 3.38Å; G354-V357 PolarHBondContact O-N 2.79Å; G354-V357 VanDerWaalsContact O-N 3.09Å; G354-D358 PolarHBondContact O-N 3.46Å
355	P	92.3	Very high	89.3	Confident	42 Å²	42	23.8 Å²	23.8	27%	0.273	15%	0.146	S	C	.	.	H	α-helix	trans	-55.3	-34.6	179.8	-31.9	38.6	0	0	0	115.1	V298 V357 D358 L359	V298-P355 HydrophobicContact CG2-CG 4.17Å; P355-V357 VanDerWaalsContact C-N 3.32Å; P355-V357 PolarHBondContact O-N 3.38Å; P355-D358 PolarHBondContact O-N 2.83Å; P355-L359 WeakPolarHBondContact O-CG 3.44Å; P355-L359 PolarHBondContact O-N 3.04Å
356	A	94.4	Very high	89.7	Confident	13 Å²	13	23 Å²	23	11%	0.107	14%	0.142	C	C	.	.	H	α-helix	trans	-69.8	-29.4	-179.8	0	0	0	0	0	112.8	T353 G354 W360 V415 R418	T353-A356 PolarHBondContact O-N 3.32Å; G354-A356 VanDerWaalsContact C-N 3.25Å; G354-A356 PolarHBondContact O-N 3.33Å; A356-W360 PolarHBondContact O-N 3.33Å; A356-W360 VanDerWaalsContact O-N 3.09Å; A356-V415 HydrophobicContact CB-CG1 3.73Å; A356-R418 WeakPolarHBondContact O-CD 3.21Å; A356-R418 PolarHBondContact O-NH1 3.29Å
357	V	92.2	Very high	90.4	Very high	5 Å²	5	23.4 Å²	23.4	3%	0.03	14%	0.144	C	C	.	.	H	α-helix	trans	-69.7	-42.5	175.5	175.2	0	0	0	0	110.8	A343 E345 L346 Y352 G354 P355 L359 W360 A361	A343-V357 HydrophobicContact CB-CB 4.41Å; A343-V357 HydrophobicContact CB-CG1 4.25Å; A343-V357 HydrophobicContact CB-CG2 4.16Å; E345-V357 HydrophobicContact CG-CG2 4.42Å; E345-V357 WeakPolarHBondContact OE1-CG2 3.44Å; L346-V357 HydrophobicContact CD1-CG1 3.83Å; L346-V357 HydrophobicContact CD2-CG2 4.03Å; L346-V357 HydrophobicContact CG-CG1 4.4Å; L346-V357 HydrophobicContact CG-CG2 4.24Å; Y352-V357 HydrophobicContact CD2-CG2 3.53Å; Y352-V357 HydrophobicContact CE2-CG2 4.1Å; Y352-V357 HydrophobicContact CG-CG2 4.25Å; G354-V357 WeakPolarHBondContact O-CB 3.38Å; G354-V357 PolarHBondContact O-N 2.79Å; G354-V357 VanDerWaalsContact O-N 3.09Å; P355-V357 VanDerWaalsContact C-N 3.32Å; P355-V357 PolarHBondContact O-N 3.38Å; V357-L359 VanDerWaalsContact C-N 3.28Å; V357-L359 PolarHBondContact O-N 3.12Å; V357-W360 PolarHBondContact O-N 3.33Å; V357-A361 PolarHBondContact O-N 2.82Å
358	D	94.9	Very high	91.2	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-62.1	-36.8	176.3	-74.1	-16.6	0	0	0	111.6	L289 H293 V298 H299 R300 G354 P355 A361 L362	L289-D358 HydrophobicContact CD1-CB 4.2Å; L289-D358 HydrophobicContact CD2-CB 3.92Å; H293-D358 IonicContact CD2-OD2 2.73Å; H293-D358 IonicContact CE1-OD2 2.71Å; H293-D358 IonicContact NE2-OD2 3.52Å; H293-D358 PolarHBondContact NE2-OD2 3.02Å; V298-D358 VanDerWaalsContact CG1-OD2 3.27Å; V298-D358 WeakPolarHBondContact CG1-OD2 3.04Å; H299-D358 PolarHBondContact N-OD2 3.35Å; R300-D358 WeakPolarHBondContact CA-OD1 3.46Å; R300-D358 PolarHBondContact N-OD1 3.03Å; G354-D358 PolarHBondContact O-N 3.46Å; P355-D358 PolarHBondContact O-N 2.83Å; D358-A361 PolarHBondContact O-N 3.07Å; D358-L362 PolarHBondContact O-N 2.98Å
359	L	98	Very high	91.9	Very high	5 Å²	5	19 Å²	19	3%	0.026	12%	0.116	C	C	.	.	H	α-helix	trans	-73.5	-34.9	178.1	-67.1	174.5	0	0	0	113.1	L286 L289 P355 V357 L362 G363 L410 Y419 V421	L286-L359 HydrophobicContact CD1-CD2 3.7Å; L289-L359 HydrophobicContact CD1-CD2 4.3Å; P355-L359 WeakPolarHBondContact O-CG 3.44Å; P355-L359 PolarHBondContact O-N 3.04Å; V357-L359 VanDerWaalsContact C-N 3.28Å; V357-L359 PolarHBondContact O-N 3.12Å; L359-L362 HydrophobicContact CD2-CD2 4.22Å; L359-L362 WeakPolarHBondContact O-CB 3.34Å; L359-L362 PolarHBondContact O-N 3.29Å; L359-G363 PolarHBondContact O-N 2.88Å; L359-L410 HydrophobicContact CB-CD2 4Å; L359-L410 HydrophobicContact CD2-CD2 4.41Å; L359-Y419 VanDerWaalsContact CD1-O 3.23Å; L359-Y419 WeakPolarHBondContact CD1-O 3.16Å; L359-V421 HydrophobicContact CD1-CG2 4.02Å; L359-V421 HydrophobicContact CD2-CG2 4.22Å
360	W	97.9	Very high	92.9	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-60.4	-48.5	167.7	173.5	-83.1	0	0	0	111.2	A342 A343 P344 A356 V357 L362 G363 V364 F376 I388 L411 N413	A342-W360 PolarHBondContact O-NE1 2.68Å; A343-W360 VanDerWaalsContact CA-CD1 3.47Å; A343-W360 HydrophobicContact CB-CB 3.8Å; A343-W360 HydrophobicContact CB-CD2 4.19Å; A343-W360 HydrophobicContact CB-CG 3.65Å; P344-W360 HydrophobicContact CG-CE3 4.17Å; P344-W360 HydrophobicContact CG-CH2 3.51Å; P344-W360 HydrophobicContact CG-CZ2 3.95Å; P344-W360 HydrophobicContact CG-CZ3 3.63Å; A356-W360 PolarHBondContact O-N 3.33Å; A356-W360 VanDerWaalsContact O-N 3.09Å; V357-W360 PolarHBondContact O-N 3.33Å; W360-L362 VanDerWaalsContact C-N 3.26Å; W360-L362 PolarHBondContact O-N 2.97Å; W360-G363 WeakPolarHBondContact O-CA 3.24Å; W360-G363 PolarHBondContact O-N 2.8Å; W360-V364 PolarHBondContact O-N 3.04Å; W360-F376 AromaticContact CH2-CE2 4Å; W360-F376 HydrophobicContact CH2-CE2 4Å; W360-F376 AromaticContact CH2-CZ 3.89Å; W360-F376 HydrophobicContact CH2-CZ 3.89Å; W360-F376 HydrophobicContact CZ2-CD2 4.18Å; W360-F376 AromaticContact CZ2-CE2 3.33Å; W360-F376 HydrophobicContact CZ2-CE2 3.33Å; W360-F376 AromaticContact CZ2-CZ 3.69Å; W360-F376 HydrophobicContact CZ2-CZ 3.69Å; W360-I388 HydrophobicContact CH2-CG2 4.43Å; W360-I388 HydrophobicContact CZ2-CG2 3.93Å; W360-L411 HydrophobicContact CD2-CD2 3.81Å; W360-L411 HydrophobicContact CE3-CD2 4.04Å; W360-L411 HydrophobicContact CG-CD2 4.29Å; W360-L411 HydrophobicContact CH2-CB 4.49Å; W360-L411 HydrophobicContact CH2-CD2 4.36Å; W360-L411 HydrophobicContact CZ2-CD2 4.15Å; W360-L411 HydrophobicContact CZ3-CB 4.23Å; W360-L411 HydrophobicContact CZ3-CD2 4.31Å; W360-N413 WeakPolarHBondContact CH2-OD1 3.19Å; W360-N413 WeakPolarHBondContact CZ3-OD1 3.15Å
361	A	96.7	Very high	94	Very high	4 Å²	4	12.3 Å²	12.3	3%	0.033	8%	0.076	C	C	.	.	H	α-helix	trans	-62	-33.4	178.4	0	0	0	0	0	112.4	L302 V357 D358 V364 L365	L302-A361 HydrophobicContact CB-CB 3.92Å; L302-A361 HydrophobicContact CD2-CB 4.36Å; L302-A361 HydrophobicContact CG-CB 4.32Å; V357-A361 PolarHBondContact O-N 2.82Å; D358-A361 PolarHBondContact O-N 3.07Å; A361-V364 PolarHBondContact O-N 3.09Å; A361-L365 WeakPolarHBondContact O-CB 3.45Å; A361-L365 PolarHBondContact O-N 3.05Å
362	L	98.5	Very high	94.9	Very high	1 Å²	1	10.8 Å²	10.8	1%	0.005	7%	0.07	C	C	.	.	H	α-helix	trans	-62.7	-44.7	169.3	177.8	63.1	0	0	0	111.4	I285 L286 L289 L302 D358 L359 W360 V364 L365 I366 L410	I285-L362 HydrophobicContact CB-CD1 4.33Å; I285-L362 HydrophobicContact CG2-CD1 3.9Å; L286-L362 HydrophobicContact CB-CD2 4Å; L286-L362 HydrophobicContact CD1-CD2 3.86Å; L286-L362 HydrophobicContact CD2-CD2 4.44Å; L286-L362 HydrophobicContact CG-CD2 4.31Å; L289-L362 HydrophobicContact CD1-CB 4.29Å; L289-L362 HydrophobicContact CD1-CD2 4.27Å; L302-L362 HydrophobicContact CD2-CB 3.89Å; D358-L362 PolarHBondContact O-N 2.98Å; L359-L362 HydrophobicContact CD2-CD2 4.22Å; L359-L362 WeakPolarHBondContact O-CB 3.34Å; L359-L362 PolarHBondContact O-N 3.29Å; W360-L362 VanDerWaalsContact C-N 3.26Å; W360-L362 PolarHBondContact O-N 2.97Å; L362-V364 VanDerWaalsContact C-N 3.35Å; L362-V364 PolarHBondContact O-N 3.24Å; L362-L365 PolarHBondContact O-N 3.13Å; L362-L365 VanDerWaalsContact O-N 3.12Å; L362-I366 HydrophobicContact CD1-CD1 4.07Å; L362-I366 HydrophobicContact CD1-CG1 4.09Å; L362-I366 HydrophobicContact CD2-CD1 4.48Å; L362-I366 HydrophobicContact CG-CD1 3.86Å; L362-I366 HydrophobicContact CG-CG1 4.31Å; L362-I366 VanDerWaalsContact O-CG1 3.28Å; L362-I366 WeakPolarHBondContact O-CG1 3.49Å; L362-I366 PolarHBondContact O-N 2.84Å; L362-L410 HydrophobicContact CD2-CD1 4.44Å; L362-L410 HydrophobicContact CG-CD1 4.32Å
363	G	98.6	Very high	95.7	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-57.3	-44.7	174.6	0	0	0	0	0	113	L359 W360 L365 I366 F367	L359-G363 PolarHBondContact O-N 2.88Å; W360-G363 WeakPolarHBondContact O-CA 3.24Å; W360-G363 PolarHBondContact O-N 2.8Å; G363-L365 VanDerWaalsContact C-N 3.32Å; G363-L365 PolarHBondContact O-N 2.86Å; G363-I366 PolarHBondContact O-N 3.44Å; G363-F367 PolarHBondContact O-N 3.06Å
364	V	98.4	Very high	96.3	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-60.7	-42.2	174.1	175.7	0	0	0	0	111.2	P340 Y341 W360 A361 L362 Y368 L374 P375 F376 L411	P340-V364 WeakPolarHBondContact O-CG1 3.47Å; Y341-V364 HydrophobicContact CD1-CB 3.84Å; Y341-V364 HydrophobicContact CD1-CG1 3.4Å; Y341-V364 VanDerWaalsContact CD1-CG1 3.4Å; Y341-V364 HydrophobicContact CE1-CB 4.43Å; Y341-V364 HydrophobicContact CE1-CG1 3.76Å; Y341-V364 HydrophobicContact CG-CG1 3.93Å; W360-V364 PolarHBondContact O-N 3.04Å; A361-V364 PolarHBondContact O-N 3.09Å; L362-V364 VanDerWaalsContact C-N 3.35Å; L362-V364 PolarHBondContact O-N 3.24Å; V364-Y368 WeakPolarHBondContact O-CB 3.36Å; V364-Y368 PolarHBondContact O-N 2.78Å; V364-L374 HydrophobicContact CG1-CD2 3.89Å; V364-P375 HydrophobicContact CB-CG 4.36Å; V364-P375 HydrophobicContact CG1-CG 4.02Å; V364-P375 HydrophobicContact CG2-CG 4.21Å; V364-F376 HydrophobicContact CG2-CD2 4.3Å; V364-F376 HydrophobicContact CG2-CE2 4.22Å; V364-L411 HydrophobicContact CG2-CD2 3.72Å
365	L	98.3	Very high	96.8	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-70.4	-39.2	-179.5	-176.6	56.4	0	0	0	112.7	L263 I285 L302 A304 V307 Y341 A361 L362 G363 Y368 M369	L263-L365 HydrophobicContact CD2-CD1 4.17Å; I285-L365 HydrophobicContact CD1-CD2 3.86Å; L302-L365 HydrophobicContact CD1-CD2 3.93Å; L302-L365 HydrophobicContact CG-CD2 4.28Å; A304-L365 HydrophobicContact CB-CD1 3.68Å; V307-L365 HydrophobicContact CG2-CD2 3.97Å; Y341-L365 HydrophobicContact CE1-CB 4.27Å; Y341-L365 HydrophobicContact CE1-CD1 4.37Å; A361-L365 WeakPolarHBondContact O-CB 3.45Å; A361-L365 PolarHBondContact O-N 3.05Å; L362-L365 PolarHBondContact O-N 3.13Å; L362-L365 VanDerWaalsContact O-N 3.12Å; G363-L365 VanDerWaalsContact C-N 3.32Å; G363-L365 PolarHBondContact O-N 2.86Å; L365-Y368 PolarHBondContact O-N 3.05Å; L365-M369 HydrophobicContact CG-CE 4.27Å; L365-M369 WeakPolarHBondContact O-CG 3.46Å; L365-M369 PolarHBondContact O-N 3.2Å
366	I	98.6	Very high	96.8	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-60.7	-50.2	173.2	-67.2	170.2	0	0	0	109.6	S282 L362 G363 Y368 M369 V370 L406 I407 L410 W429	S282-I366 WeakPolarHBondContact OG-CG1 3.4Å; L362-I366 HydrophobicContact CD1-CD1 4.07Å; L362-I366 HydrophobicContact CD1-CG1 4.09Å; L362-I366 HydrophobicContact CD2-CD1 4.48Å; L362-I366 HydrophobicContact CG-CD1 3.86Å; L362-I366 HydrophobicContact CG-CG1 4.31Å; L362-I366 VanDerWaalsContact O-CG1 3.28Å; L362-I366 WeakPolarHBondContact O-CG1 3.49Å; L362-I366 PolarHBondContact O-N 2.84Å; G363-I366 PolarHBondContact O-N 3.44Å; I366-Y368 VanDerWaalsContact C-N 3.28Å; I366-Y368 PolarHBondContact O-N 2.96Å; I366-M369 HydrophobicContact CG1-CE 4.33Å; I366-M369 PolarHBondContact O-N 3.01Å; I366-M369 VanDerWaalsContact O-N 3.14Å; I366-V370 WeakPolarHBondContact O-CG2 3.29Å; I366-V370 PolarHBondContact O-N 2.76Å; I366-L406 HydrophobicContact CD1-CD2 3.97Å; I366-L406 HydrophobicContact CD1-CG 4.39Å; I366-I407 HydrophobicContact CB-CG1 4.33Å; I366-I407 HydrophobicContact CG2-CD1 4.03Å; I366-I407 HydrophobicContact CG2-CG1 3.73Å; I366-L410 HydrophobicContact CD1-CD1 3.72Å; I366-W429 HydrophobicContact CG2-CH2 4.06Å; I366-W429 HydrophobicContact CG2-CZ3 4.27Å
367	F	98.7	Very high	96.5	Very high	12 Å²	12	16 Å²	16	5%	0.053	9%	0.09	C	C	.	.	H	α-helix	trans	-55.3	-44.4	175.1	-174.6	-75.7	0	0	0	111.3	G363 M369 V370 T371 S373 P375 Y393 R394 I395 I407	G363-F367 PolarHBondContact O-N 3.06Å; F367-M369 PolarHBondContact O-N 3.45Å; F367-V370 PolarHBondContact O-N 3.19Å; F367-T371 HydrophobicContact CD1-CG2 4.01Å; F367-T371 WeakPolarHBondContact CD1-OG1 3Å; F367-T371 HydrophobicContact CD2-CG2 4.32Å; F367-T371 HydrophobicContact CE1-CG2 3.8Å; F367-T371 VanDerWaalsContact CE1-OG1 3.24Å; F367-T371 WeakPolarHBondContact CE1-OG1 3.41Å; F367-T371 HydrophobicContact CE2-CG2 4.13Å; F367-T371 HydrophobicContact CG-CG2 4.26Å; F367-T371 HydrophobicContact CZ-CG2 3.87Å; F367-T371 WeakPolarHBondContact O-CB 3.47Å; F367-T371 WeakPolarHBondContact O-CG2 3.43Å; F367-T371 PolarHBondContact O-N 2.79Å; F367-T371 PolarHBondContact O-OG1 3.3Å; F367-S373 VanDerWaalsContact CD1-O 3.24Å; F367-S373 WeakPolarHBondContact CD1-O 3.37Å; F367-S373 WeakPolarHBondContact CE1-O 3.39Å; F367-P375 HydrophobicContact CB-CG 4.24Å; F367-P375 HydrophobicContact CD1-CB 3.73Å; F367-P375 VanDerWaalsContact CD1-CD 3.46Å; F367-P375 HydrophobicContact CD1-CG 3.97Å; F367-P375 HydrophobicContact CD2-CB 4.07Å; F367-P375 HydrophobicContact CE1-CB 3.85Å; F367-P375 HydrophobicContact CE2-CB 4.17Å; F367-P375 HydrophobicContact CG-CB 3.85Å; F367-P375 HydrophobicContact CG-CG 4.06Å; F367-P375 HydrophobicContact CZ-CB 4.07Å; F367-Y393 HydrophobicContact CD2-CD2 4.19Å; F367-Y393 AromaticContact CE2-CD2 3.89Å; F367-Y393 HydrophobicContact CE2-CD2 3.89Å; F367-R394 WeakPolarHBondContact CZ-O 3.36Å; F367-I395 HydrophobicContact CD2-CG1 4.32Å; F367-I395 HydrophobicContact CE2-CB 4.4Å; F367-I395 HydrophobicContact CE2-CG1 4.1Å; F367-I395 HydrophobicContact CE2-CG2 4.45Å; F367-I407 HydrophobicContact CB-CD1 4.3Å; F367-I407 HydrophobicContact CB-CG2 4.43Å; F367-I407 HydrophobicContact CD2-CD1 4.42Å; F367-I407 HydrophobicContact CD2-CG2 4.18Å
368	Y	98.2	Very high	96.1	Very high	17 Å²	17	16.5 Å²	16.5	7%	0.067	9%	0.094	C	C	.	.	H	α-helix	trans	-65	-38.6	179.1	-174.5	-153	0	0	0	112.6	L267 A304 V364 L365 I366 G372 S373 L374	L267-Y368 HydrophobicContact CB-CE1 4.3Å; L267-Y368 HydrophobicContact CB-CE2 4.26Å; L267-Y368 HydrophobicContact CD1-CD1 3.62Å; L267-Y368 HydrophobicContact CD1-CD2 4.3Å; L267-Y368 HydrophobicContact CD1-CE1 3.59Å; L267-Y368 HydrophobicContact CD1-CE2 4.26Å; L267-Y368 HydrophobicContact CD1-CG 3.98Å; A304-Y368 HydrophobicContact CB-CD1 3.98Å; A304-Y368 HydrophobicContact CB-CE1 3.91Å; V364-Y368 WeakPolarHBondContact O-CB 3.36Å; V364-Y368 PolarHBondContact O-N 2.78Å; L365-Y368 PolarHBondContact O-N 3.05Å; I366-Y368 VanDerWaalsContact C-N 3.28Å; I366-Y368 PolarHBondContact O-N 2.96Å; Y368-G372 WeakPolarHBondContact CE2-O 3.13Å; Y368-G372 VanDerWaalsContact O-CA 3.26Å; Y368-G372 WeakPolarHBondContact O-CA 3.35Å; Y368-G372 PolarHBondContact O-N 2.92Å; Y368-S373 WeakPolarHBondContact CA-O 3.27Å; Y368-L374 HydrophobicContact CD1-CD2 4.06Å; Y368-L374 HydrophobicContact CG-CD2 4.05Å; Y368-L374 HydrophobicContact CG-CG 4.39Å
369	M	98.5	Very high	95.5	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-63.9	-49.8	174.6	-73.9	-173.5	-66.7	0	0	112.3	L263 L267 R272 L273 Y281 S282 L365 I366 F367	L263-M369 HydrophobicContact CD2-CG 4.17Å; L263-M369 HydrophobicContact CD2-SD 3.79Å; L267-M369 HydrophobicContact CD1-CG 4.21Å; L267-M369 HydrophobicContact CD2-CG 4.5Å; R272-M369 CarbonylContact C-O 3.59Å; R272-M369 WeakPolarHBondContact CA-O 3.46Å; R272-M369 WeakPolarHBondContact CB-O 3.49Å; L273-M369 HydrophobicContact CD1-CB 4.17Å; L273-M369 HydrophobicContact CD1-CG 4.01Å; L273-M369 HydrophobicContact CD1-SD 4.03Å; L273-M369 PolarHBondContact N-O 2.75Å; Y281-M369 HydrophobicContact CD2-SD 4.23Å; S282-M369 WeakPolarHBondContact OG-CE 3.5Å; L365-M369 HydrophobicContact CG-CE 4.27Å; L365-M369 WeakPolarHBondContact O-CG 3.46Å; L365-M369 PolarHBondContact O-N 3.2Å; I366-M369 HydrophobicContact CG1-CE 4.33Å; I366-M369 PolarHBondContact O-N 3.01Å; I366-M369 VanDerWaalsContact O-N 3.14Å; F367-M369 PolarHBondContact O-N 3.45Å
370	V	98.3	Very high	94.6	Very high	3 Å²	3	21.3 Å²	21.3	2%	0.018	12%	0.122	C	C	.	.	H	α-helix	trans	-80.1	-20.5	-173.9	-55.3	0	0	0	0	114.3	R272 E275 I366 F367 V399 I407 W429	R272-V370 WeakPolarHBondContact CD-O 3.4Å; E275-V370 HydrophobicContact CG-CG1 4.21Å; I366-V370 WeakPolarHBondContact O-CG2 3.29Å; I366-V370 PolarHBondContact O-N 2.76Å; F367-V370 PolarHBondContact O-N 3.19Å; V370-V399 HydrophobicContact CB-CG2 4.48Å; V370-V399 HydrophobicContact CG2-CG1 4.13Å; V370-V399 HydrophobicContact CG2-CG2 4.01Å; V370-I407 HydrophobicContact CG2-CD1 4.07Å; V370-W429 HydrophobicContact CG1-CZ2 4.31Å
371	T	97.8	Very high	93.7	Very high	16 Å²	16	21.8 Å²	21.8	10%	0.098	12%	0.124	C	C	.	.	H	α-helix	trans	-109	-22.7	179.8	71.2	0	0	0	0	114.3	F367 S373 P396 V399	F367-T371 HydrophobicContact CD1-CG2 4.01Å; F367-T371 WeakPolarHBondContact CD1-OG1 3Å; F367-T371 HydrophobicContact CD2-CG2 4.32Å; F367-T371 HydrophobicContact CE1-CG2 3.8Å; F367-T371 VanDerWaalsContact CE1-OG1 3.24Å; F367-T371 WeakPolarHBondContact CE1-OG1 3.41Å; F367-T371 HydrophobicContact CE2-CG2 4.13Å; F367-T371 HydrophobicContact CG-CG2 4.26Å; F367-T371 HydrophobicContact CZ-CG2 3.87Å; F367-T371 WeakPolarHBondContact O-CB 3.47Å; F367-T371 WeakPolarHBondContact O-CG2 3.43Å; F367-T371 PolarHBondContact O-N 2.79Å; F367-T371 PolarHBondContact O-OG1 3.3Å; T371-S373 PolarHBondContact O-N 3.4Å; T371-S373 PolarHBondContact OG1-N 3.43Å; T371-S373 PolarHBondContact OG1-O 3.28Å; T371-P396 HydrophobicContact CG2-CG 3.92Å; T371-V399 HydrophobicContact CG2-CG2 4.42Å
372	G	96	Very high	93	Very high	23 Å²	23	25.7 Å²	25.7	24%	0.237	14%	0.142	C	C	.	.	S	Bend	trans	74.7	8.4	-173.5	0	0	0	0	0	114	Y368	Y368-G372 WeakPolarHBondContact CE2-O 3.13Å; Y368-G372 VanDerWaalsContact O-CA 3.26Å; Y368-G372 WeakPolarHBondContact O-CA 3.35Å; Y368-G372 PolarHBondContact O-N 2.92Å
373	S	94.6	Very high	92.4	Very high	65 Å²	65	30.1 Å²	30.1	46%	0.455	16%	0.161	S	C	.	.	S	Bend	trans	-134.6	155.2	172.9	-72.1	0	0	0	0	111	F367 Y368 T371	F367-S373 VanDerWaalsContact CD1-O 3.24Å; F367-S373 WeakPolarHBondContact CD1-O 3.37Å; F367-S373 WeakPolarHBondContact CE1-O 3.39Å; Y368-S373 WeakPolarHBondContact CA-O 3.27Å; T371-S373 PolarHBondContact O-N 3.4Å; T371-S373 PolarHBondContact OG1-N 3.43Å; T371-S373 PolarHBondContact OG1-O 3.28Å
374	L	95.4	Very high	91.7	Very high	37 Å²	37	30.3 Å²	30.3	19%	0.194	16%	0.162	C	C	.	.			trans	-75.5	144.1	173.3	-70.3	161.7	0	0	0	110	P340 Y341 V364 Y368 K377	P340-L374 HydrophobicContact CB-CD1 3.85Å; P340-L374 HydrophobicContact CB-CD2 4.43Å; P340-L374 HydrophobicContact CG-CD1 4.25Å; Y341-L374 HydrophobicContact CE1-CD2 4.21Å; Y341-L374 HydrophobicContact CE2-CD2 4.08Å; V364-L374 HydrophobicContact CG1-CD2 3.89Å; Y368-L374 HydrophobicContact CD1-CD2 4.06Å; Y368-L374 HydrophobicContact CG-CD2 4.05Å; Y368-L374 HydrophobicContact CG-CG 4.39Å; L374-K377 HydrophobicContact CB-CB 4.45Å
375	P	96.1	Very high	91.1	Very high	15 Å²	15	33.7 Å²	33.7	10%	0.097	18%	0.177	C	C	.	.	S	Bend	trans	-65.8	-42.7	178.4	24.8	-29.9	0	0	0	111.4	V364 F367 Y393 L411	V364-P375 HydrophobicContact CB-CG 4.36Å; V364-P375 HydrophobicContact CG1-CG 4.02Å; V364-P375 HydrophobicContact CG2-CG 4.21Å; F367-P375 HydrophobicContact CB-CG 4.24Å; F367-P375 HydrophobicContact CD1-CB 3.73Å; F367-P375 VanDerWaalsContact CD1-CD 3.46Å; F367-P375 HydrophobicContact CD1-CG 3.97Å; F367-P375 HydrophobicContact CD2-CB 4.07Å; F367-P375 HydrophobicContact CE1-CB 3.85Å; F367-P375 HydrophobicContact CE2-CB 4.17Å; F367-P375 HydrophobicContact CG-CB 3.85Å; F367-P375 HydrophobicContact CG-CG 4.06Å; F367-P375 HydrophobicContact CZ-CB 4.07Å; P375-Y393 HydrophobicContact CB-CD2 4.27Å; P375-Y393 HydrophobicContact CB-CG 4.17Å; P375-L411 HydrophobicContact CB-CD1 4.45Å; P375-L411 HydrophobicContact CG-CD1 4.3Å
376	F	93.2	Very high	90.8	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.208	C	C	.	.	S	Bend	trans	-107.3	84.8	-178.8	-48.1	-66.5	0	0	0	110.3	W360 V364 L387 I388 Y393 L411	W360-F376 AromaticContact CH2-CE2 4Å; W360-F376 HydrophobicContact CH2-CE2 4Å; W360-F376 AromaticContact CH2-CZ 3.89Å; W360-F376 HydrophobicContact CH2-CZ 3.89Å; W360-F376 HydrophobicContact CZ2-CD2 4.18Å; W360-F376 AromaticContact CZ2-CE2 3.33Å; W360-F376 HydrophobicContact CZ2-CE2 3.33Å; W360-F376 AromaticContact CZ2-CZ 3.69Å; W360-F376 HydrophobicContact CZ2-CZ 3.69Å; V364-F376 HydrophobicContact CG2-CD2 4.3Å; V364-F376 HydrophobicContact CG2-CE2 4.22Å; F376-L387 HydrophobicContact CB-CB 4.45Å; F376-L387 HydrophobicContact CD1-CB 4.05Å; F376-I388 HydrophobicContact CB-CD1 4.4Å; F376-I388 HydrophobicContact CB-CG1 3.79Å; F376-I388 HydrophobicContact CD1-CG1 4.07Å; F376-I388 HydrophobicContact CD2-CG1 3.81Å; F376-I388 HydrophobicContact CE2-CG1 4.44Å; F376-I388 HydrophobicContact CG-CG1 3.6Å; F376-Y393 AromaticContact CE1-CD1 3.7Å; F376-Y393 HydrophobicContact CE1-CD1 3.7Å; F376-Y393 HydrophobicContact CE1-CG 4.16Å; F376-Y393 AromaticContact CZ-CD1 3.7Å; F376-Y393 HydrophobicContact CZ-CD1 3.7Å; F376-Y393 HydrophobicContact CZ-CE1 4.3Å; F376-Y393 HydrophobicContact CZ-CG 4.26Å; F376-L411 HydrophobicContact CE2-CD1 4.23Å; F376-L411 HydrophobicContact CE2-CD2 4.25Å; F376-L411 HydrophobicContact CZ-CD1 4.35Å
377	K	86.7	Confident	90.5	Very high	134 Å²	134	43.1 Å²	43.1	58%	0.583	21%	0.214	S	C	*	.			trans	-119.7	119.7	-177.6	-169.4	-171.9	176.8	-172.7	0	111.5	L71 L374	L71-K377 HydrophobicContact CD1-CG 3.6Å; L374-K377 HydrophobicContact CB-CB 4.45Å
378	A	84.1	Confident	90.1	Very high	14 Å²	14	42.5 Å²	42.5	12%	0.116	21%	0.212	C	C	.	.			trans	-156.4	164.1	171.8	0	0	0	0	0	111.8	L71 S380 K383 I384 L387	L71-A378 WeakPolarHBondContact CD1-O 3.45Å; A378-S380 PolarHBondContact O-N 3.35Å; A378-K383 HydrophobicContact CB-CB 3.32Å; A378-K383 HydrophobicContact CB-CD 4.07Å; A378-K383 HydrophobicContact CB-CG 4.36Å; A378-I384 HydrophobicContact CB-CG1 4.11Å; A378-L387 HydrophobicContact CB-CD1 4.06Å
379	D	82	Confident	89.8	Confident	84 Å²	84	45 Å²	45	45%	0.449	23%	0.225	S	C	.	.	S	Bend	trans	-67.9	-31.2	-168.1	-33.8	-62.3	0	0	0	114.1	S69 Y70 K383	S69-D379 CarbonylContact C-O 3.6Å; S69-D379 WeakPolarHBondContact CA-O 3.41Å; Y70-D379 PolarHBondContact N-O 3.22Å; D379-K383 IonicContact OD2-NZ 3.5Å; D379-K383 PolarHBondContact OD2-NZ 3.01Å
380	S	80.4	Confident	89.6	Confident	23 Å²	23	48.5 Å²	48.5	16%	0.161	25%	0.25	C	C	.	.	B	Isolated β-bridge	trans	-124	153.5	-177.3	70.7	0	0	0	0	112.6	A378 H382 K383 I384	A378-S380 PolarHBondContact O-N 3.35Å; S380-H382 PolarHBondContact O-N 3.19Å; S380-K383 PolarHBondContact O-N 3.34Å; S380-I384 PolarHBondContact O-N 3.38Å
381	L	79.3	Confident	89.4	Confident	9 Å²	9	50.7 Å²	50.7	5%	0.047	26%	0.262	C	S	.	.	H	α-helix	trans	-54.9	-37.8	178.9	-178.6	59.1	0	0	0	112.3	Y70 P339 F347 I384 K385	Y70-L381 HydrophobicContact CD2-CB 4.46Å; Y70-L381 HydrophobicContact CE2-CB 4.04Å; P339-L381 HydrophobicContact CB-CD1 3.59Å; P339-L381 HydrophobicContact CG-CD1 3.8Å; F347-L381 HydrophobicContact CE1-CD1 4.28Å; L381-I384 PolarHBondContact O-N 3.44Å; L381-K385 WeakPolarHBondContact O-CB 3.16Å; L381-K385 PolarHBondContact O-N 2.79Å
382	H	81.7	Confident	89.2	Confident	87 Å²	87	54 Å²	54	40%	0.403	28%	0.279	S	S	.	.	H	α-helix	trans	-59.1	-46.5	173.5	-81.7	-57.2	0	0	0	113.8	Q66 S380 K385 R386	Q66-H382 VanDerWaalsContact CB-NE2 3.27Å; Q66-H382 WeakPolarHBondContact CB-NE2 3.23Å; Q66-H382 VanDerWaalsContact CD-NE2 3.31Å; Q66-H382 VanDerWaalsContact CG-NE2 3.34Å; Q66-H382 WeakPolarHBondContact CG-NE2 3.39Å; Q66-H382 PolarHBondContact O-CD2 2.87Å; Q66-H382 VanDerWaalsContact O-CD2 3.28Å; Q66-H382 PolarHBondContact OE1-CE1 2.92Å; Q66-H382 VanDerWaalsContact OE1-CE1 3.28Å; Q66-H382 PolarHBondContact OE1-NE2 3.22Å; S380-H382 PolarHBondContact O-N 3.19Å; H382-K385 PolarHBondContact O-N 2.96Å; H382-R386 WeakPolarHBondContact O-CB 3.39Å; H382-R386 PolarHBondContact O-N 3.07Å
383	K	85.1	Confident	89.2	Confident	94 Å²	94	54.7 Å²	54.7	41%	0.409	28%	0.275	S	S	.	.	H	α-helix	trans	-66.8	-40.4	179.2	-66.6	178.8	-172.6	-178.8	0	110.4	A378 D379 S380 R386 L387	A378-K383 HydrophobicContact CB-CB 3.32Å; A378-K383 HydrophobicContact CB-CD 4.07Å; A378-K383 HydrophobicContact CB-CG 4.36Å; D379-K383 IonicContact OD2-NZ 3.5Å; D379-K383 PolarHBondContact OD2-NZ 3.01Å; S380-K383 PolarHBondContact O-N 3.34Å; K383-R386 PolarHBondContact O-N 2.91Å; K383-L387 WeakPolarHBondContact O-CG 3.49Å; K383-L387 PolarHBondContact O-N 3.22Å
384	I	84.5	Confident	89.3	Confident	4 Å²	4	61.8 Å²	61.8	2%	0.021	29%	0.291	C	S	.	.	H	α-helix	trans	-60.7	-51.5	174.7	-63.5	172.3	0	0	0	110.4	P339 A378 S380 L381 R386 L387 I388	P339-I384 HydrophobicContact CB-CG2 4.49Å; A378-I384 HydrophobicContact CB-CG1 4.11Å; S380-I384 PolarHBondContact O-N 3.38Å; L381-I384 PolarHBondContact O-N 3.44Å; I384-R386 VanDerWaalsContact C-N 3.28Å; I384-R386 PolarHBondContact O-N 3.35Å; I384-L387 PolarHBondContact O-N 2.86Å; I384-L387 VanDerWaalsContact O-N 3.17Å; I384-I388 HydrophobicContact CG2-CD1 3.68Å; I384-I388 HydrophobicContact CG2-CG1 4.43Å; I384-I388 WeakPolarHBondContact O-CG1 3.43Å; I384-I388 PolarHBondContact O-N 3Å
385	K	85.8	Confident	89.4	Confident	71 Å²	71	61.4 Å²	61.4	31%	0.309	29%	0.289	S	S	.	.	H	α-helix	trans	-53.9	-44.1	175.3	177.2	173.3	179.2	158.2	0	111.3	F347 L381 H382 I388 L389	F347-K385 HydrophobicContact CB-CD 4.16Å; F347-K385 HydrophobicContact CB-CG 4.29Å; F347-K385 HydrophobicContact CD1-CB 4.17Å; F347-K385 HydrophobicContact CD1-CD 3.76Å; F347-K385 HydrophobicContact CD1-CG 3.85Å; F347-K385 HydrophobicContact CE1-CB 4.08Å; F347-K385 HydrophobicContact CE1-CD 4.45Å; F347-K385 HydrophobicContact CE1-CG 4.27Å; F347-K385 HydrophobicContact CG-CD 4.24Å; F347-K385 HydrophobicContact CG-CG 4.11Å; F347-K385 PolarHBondContact O-NZ 3.49Å; L381-K385 WeakPolarHBondContact O-CB 3.16Å; L381-K385 PolarHBondContact O-N 2.79Å; H382-K385 PolarHBondContact O-N 2.96Å; K385-I388 PolarHBondContact O-N 2.89Å; K385-L389 HydrophobicContact CD-CD1 4.42Å; K385-L389 HydrophobicContact CG-CD1 3.85Å; K385-L389 HydrophobicContact CG-CG 4.23Å; K385-L389 WeakPolarHBondContact O-CB 3.29Å; K385-L389 VanDerWaalsContact O-CG 3.28Å; K385-L389 WeakPolarHBondContact O-CG 3.39Å; K385-L389 PolarHBondContact O-N 2.89Å
386	R	91.7	Very high	89.4	Confident	172 Å²	172	62.5 Å²	62.5	65%	0.649	30%	0.296	S	S	*	.	H	α-helix	trans	-59.9	-49.9	177.6	-168.9	-177.9	70.4	174.6	4.5	111.9	H382 K383 I384 I388 L389 S390	H382-R386 WeakPolarHBondContact O-CB 3.39Å; H382-R386 PolarHBondContact O-N 3.07Å; K383-R386 PolarHBondContact O-N 2.91Å; I384-R386 VanDerWaalsContact C-N 3.28Å; I384-R386 PolarHBondContact O-N 3.35Å; R386-I388 VanDerWaalsContact C-N 3.34Å; R386-I388 PolarHBondContact O-N 2.99Å; R386-L389 PolarHBondContact O-N 3.3Å; R386-S390 WeakPolarHBondContact O-CB 3.41Å; R386-S390 PolarHBondContact O-N 2.88Å; R386-S390 PolarHBondContact O-OG 3.29Å
387	L	92.3	Very high	89.6	Confident	25 Å²	25	67.4 Å²	67.4	13%	0.131	34%	0.337	C	S	.	.	H	α-helix	trans	-59.9	-42.3	179.2	-67.4	171.6	0	0	0	112.2	F376 A378 K383 I384 S390 N391 D392	F376-L387 HydrophobicContact CB-CB 4.45Å; F376-L387 HydrophobicContact CD1-CB 4.05Å; A378-L387 HydrophobicContact CB-CD1 4.06Å; K383-L387 WeakPolarHBondContact O-CG 3.49Å; K383-L387 PolarHBondContact O-N 3.22Å; I384-L387 PolarHBondContact O-N 2.86Å; I384-L387 VanDerWaalsContact O-N 3.17Å; L387-S390 PolarHBondContact O-OG 3.16Å; L387-N391 CarbonylContact O-C 3.58Å; L387-N391 WeakPolarHBondContact O-CA 3.47Å; L387-N391 PolarHBondContact O-N 2.91Å; L387-D392 HydrophobicContact CD2-CB 3.93Å; L387-D392 WeakPolarHBondContact CD2-OD2 3.35Å; L387-D392 PolarHBondContact O-N 3.29Å
388	I	91.1	Very high	90.1	Very high	0 Å²	0	66.5 Å²	66.5	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-63	-49.6	176.8	-69.2	169.3	0	0	0	110.7	P344 F347 W360 F376 I384 K385 R386 S390 N391 N413	P344-I388 HydrophobicContact CB-CG2 4.15Å; P344-I388 HydrophobicContact CG-CG2 3.72Å; F347-I388 HydrophobicContact CD2-CG2 4.37Å; F347-I388 HydrophobicContact CE2-CD1 3.74Å; F347-I388 HydrophobicContact CE2-CG2 4.17Å; F347-I388 HydrophobicContact CZ-CD1 3.99Å; W360-I388 HydrophobicContact CH2-CG2 4.43Å; W360-I388 HydrophobicContact CZ2-CG2 3.93Å; F376-I388 HydrophobicContact CB-CD1 4.4Å; F376-I388 HydrophobicContact CB-CG1 3.79Å; F376-I388 HydrophobicContact CD1-CG1 4.07Å; F376-I388 HydrophobicContact CD2-CG1 3.81Å; F376-I388 HydrophobicContact CE2-CG1 4.44Å; F376-I388 HydrophobicContact CG-CG1 3.6Å; I384-I388 HydrophobicContact CG2-CD1 3.68Å; I384-I388 HydrophobicContact CG2-CG1 4.43Å; I384-I388 WeakPolarHBondContact O-CG1 3.43Å; I384-I388 PolarHBondContact O-N 3Å; K385-I388 PolarHBondContact O-N 2.89Å; R386-I388 VanDerWaalsContact C-N 3.34Å; R386-I388 PolarHBondContact O-N 2.99Å; I388-S390 PolarHBondContact O-N 3.42Å; I388-N391 PolarHBondContact O-N 2.9Å; I388-N391 VanDerWaalsContact O-N 3.1Å; I388-N413 PolarHBondContact O-ND2 3.26Å
389	L	92.2	Very high	90.8	Very high	68 Å²	68	66 Å²	66	36%	0.356	33%	0.326	S	S	.	.	H	α-helix	trans	-69.3	-32.6	-177.5	-66.1	-176.1	0	0	0	113.4	P344 V348 K385 R386 N391 N413	P344-L389 HydrophobicContact CB-CD2 4.03Å; V348-L389 HydrophobicContact CG2-CD1 3.99Å; V348-L389 HydrophobicContact CG2-CD2 3.54Å; V348-L389 HydrophobicContact CG2-CG 4.44Å; K385-L389 HydrophobicContact CD-CD1 4.42Å; K385-L389 HydrophobicContact CG-CD1 3.85Å; K385-L389 HydrophobicContact CG-CG 4.23Å; K385-L389 WeakPolarHBondContact O-CB 3.29Å; K385-L389 VanDerWaalsContact O-CG 3.28Å; K385-L389 WeakPolarHBondContact O-CG 3.39Å; K385-L389 PolarHBondContact O-N 2.89Å; R386-L389 PolarHBondContact O-N 3.3Å; L389-N391 VanDerWaalsContact C-N 3.27Å; L389-N413 PolarHBondContact O-ND2 3.12Å; L389-N413 VanDerWaalsContact O-ND2 3.16Å
390	S	94.1	Very high	91.5	Very high	74 Å²	74	64 Å²	64	52%	0.517	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-3.3	172.2	64.7	0	0	0	0	113.9	R386 L387 I388 D392	R386-S390 WeakPolarHBondContact O-CB 3.41Å; R386-S390 PolarHBondContact O-N 2.88Å; R386-S390 PolarHBondContact O-OG 3.29Å; L387-S390 PolarHBondContact O-OG 3.16Å; I388-S390 PolarHBondContact O-N 3.42Å; S390-D392 PolarHBondContact O-N 2.94Å; S390-D392 VanDerWaalsContact OG-CB 3.31Å; S390-D392 WeakPolarHBondContact OG-CB 3.15Å
391	N	93.5	Very high	92.4	Very high	50 Å²	50	68.6 Å²	68.6	27%	0.267	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	49	38.1	-169.9	-147.7	21.2	0	0	0	113.5	L387 I388 L389 Y393 L411 N413	L387-N391 CarbonylContact O-C 3.58Å; L387-N391 WeakPolarHBondContact O-CA 3.47Å; L387-N391 PolarHBondContact O-N 2.91Å; I388-N391 PolarHBondContact O-N 2.9Å; I388-N391 VanDerWaalsContact O-N 3.1Å; L389-N391 VanDerWaalsContact C-N 3.27Å; N391-Y393 WeakPolarHBondContact O-CD1 3.38Å; N391-Y393 PolarHBondContact O-N 3.43Å; N391-Y393 VanDerWaalsContact O-N 3.17Å; N391-Y393 VanDerWaalsContact OD1-CE1 3.3Å; N391-Y393 WeakPolarHBondContact OD1-CE1 3.32Å; N391-L411 PolarHBondContact ND2-O 3.43Å; N391-L411 PolarHBondContact OD1-O 3.35Å; N391-N413 PolarHBondContact OD1-OD1 2.96Å
392	D	93.5	Very high	93.3	Very high	84 Å²	84	71.7 Å²	71.7	45%	0.449	36%	0.358	S	S	.	.			trans	-86	89	-175.3	-177.1	22.2	0	0	0	110.5	L387 S390	L387-D392 HydrophobicContact CD2-CB 3.93Å; L387-D392 WeakPolarHBondContact CD2-OD2 3.35Å; L387-D392 PolarHBondContact O-N 3.29Å; S390-D392 PolarHBondContact O-N 2.94Å; S390-D392 VanDerWaalsContact OG-CB 3.31Å; S390-D392 WeakPolarHBondContact OG-CB 3.15Å
393	Y	96.2	Very high	94.1	Very high	39 Å²	39	67.5 Å²	67.5	15%	0.153	34%	0.339	C	S	.	.			trans	-141.2	161.9	168.3	72.7	-78.6	0	0	0	109.5	F367 P375 F376 N391 I395 I407 S408 L411	F367-Y393 HydrophobicContact CD2-CD2 4.19Å; F367-Y393 AromaticContact CE2-CD2 3.89Å; F367-Y393 HydrophobicContact CE2-CD2 3.89Å; P375-Y393 HydrophobicContact CB-CD2 4.27Å; P375-Y393 HydrophobicContact CB-CG 4.17Å; F376-Y393 AromaticContact CE1-CD1 3.7Å; F376-Y393 HydrophobicContact CE1-CD1 3.7Å; F376-Y393 HydrophobicContact CE1-CG 4.16Å; F376-Y393 AromaticContact CZ-CD1 3.7Å; F376-Y393 HydrophobicContact CZ-CD1 3.7Å; F376-Y393 HydrophobicContact CZ-CE1 4.3Å; F376-Y393 HydrophobicContact CZ-CG 4.26Å; N391-Y393 WeakPolarHBondContact O-CD1 3.38Å; N391-Y393 PolarHBondContact O-N 3.43Å; N391-Y393 VanDerWaalsContact O-N 3.17Å; N391-Y393 VanDerWaalsContact OD1-CE1 3.3Å; N391-Y393 WeakPolarHBondContact OD1-CE1 3.32Å; Y393-I395 HydrophobicContact CD2-CG1 4.13Å; Y393-I395 HydrophobicContact CE2-CD1 4.03Å; Y393-I395 HydrophobicContact CE2-CG1 3.67Å; Y393-I407 HydrophobicContact CE2-CG2 4.03Å; Y393-S408 WeakPolarHBondContact OH-CA 3.19Å; Y393-L411 HydrophobicContact CD2-CD1 4.32Å; Y393-L411 HydrophobicContact CE1-CB 4.03Å; Y393-L411 HydrophobicContact CE1-CD1 4.17Å; Y393-L411 HydrophobicContact CE2-CD1 3.93Å
394	R	96.4	Very high	94.7	Very high	213 Å²	213	65.5 Å²	65.5	80%	0.804	33%	0.33	S	S	*	.			trans	-133.4	124.9	177.1	-62.9	-173.9	-176.7	-147.9	-1.1	110.1	F367	F367-R394 WeakPolarHBondContact CZ-O 3.36Å
395	I	97.4	Very high	95.4	Very high	30 Å²	30	68.6 Å²	68.6	15%	0.154	35%	0.35	C	S	.	.			trans	-81.9	129.3	173.5	-41.1	178.8	0	0	0	108.3	F367 Y393 V399 Q404 I407	F367-I395 HydrophobicContact CD2-CG1 4.32Å; F367-I395 HydrophobicContact CE2-CB 4.4Å; F367-I395 HydrophobicContact CE2-CG1 4.1Å; F367-I395 HydrophobicContact CE2-CG2 4.45Å; Y393-I395 HydrophobicContact CD2-CG1 4.13Å; Y393-I395 HydrophobicContact CE2-CD1 4.03Å; Y393-I395 HydrophobicContact CE2-CG1 3.67Å; I395-V399 HydrophobicContact CG2-CB 3.88Å; I395-V399 HydrophobicContact CG2-CG1 3.97Å; I395-V399 HydrophobicContact CG2-CG2 4.01Å; I395-Q404 HydrophobicContact CB-CG 4.1Å; I395-Q404 HydrophobicContact CD1-CB 3.97Å; I395-Q404 HydrophobicContact CD1-CG 4.1Å; I395-Q404 HydrophobicContact CG2-CG 3.79Å; I395-I407 HydrophobicContact CD1-CB 3.89Å; I395-I407 HydrophobicContact CD1-CD1 4.41Å; I395-I407 HydrophobicContact CD1-CG2 3.69Å; I395-I407 HydrophobicContact CG1-CG2 4.35Å; I395-I407 HydrophobicContact CG2-CD1 4.45Å
396	P	97.2	Very high	96	Very high	38 Å²	38	65.2 Å²	65.2	25%	0.247	34%	0.335	C	S	.	.			trans	-67.1	140.5	178.2	-22.3	34.6	0	0	0	112.4	T371 Y398 V399	T371-P396 HydrophobicContact CG2-CG 3.92Å; P396-Y398 HydrophobicContact CB-CD1 3.56Å; P396-Y398 HydrophobicContact CB-CD2 4.47Å; P396-Y398 HydrophobicContact CB-CE1 3.23Å; P396-Y398 HydrophobicContact CB-CE2 4.2Å; P396-Y398 HydrophobicContact CB-CG 4.18Å; P396-Y398 HydrophobicContact CG-CE1 3.84Å; P396-Y398 PolarHBondContact O-N 3.33Å; P396-V399 WeakPolarHBondContact O-CB 3.17Å; P396-V399 WeakPolarHBondContact O-CG2 3.3Å; P396-V399 PolarHBondContact O-N 3.17Å
397	A	96.3	Very high	96.3	Very high	103 Å²	103	57 Å²	57	85%	0.851	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-1.3	-178.8	0	0	0	0	0	115.9
398	Y	97.2	Very high	96.6	Very high	115 Å²	115	58.2 Å²	58.2	45%	0.451	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-7.1	170.1	63.2	-109.6	0	0	0	113.2	R272 P396	R272-Y398 PolarHBondContact NH1-OH 3.41Å; P396-Y398 HydrophobicContact CB-CD1 3.56Å; P396-Y398 HydrophobicContact CB-CD2 4.47Å; P396-Y398 HydrophobicContact CB-CE1 3.23Å; P396-Y398 HydrophobicContact CB-CE2 4.2Å; P396-Y398 HydrophobicContact CB-CG 4.18Å; P396-Y398 HydrophobicContact CG-CE1 3.84Å; P396-Y398 PolarHBondContact O-N 3.33Å
399	V	98.2	Very high	96.9	Very high	3 Å²	3	58.5 Å²	58.5	2%	0.018	32%	0.317	C	S	.	.	S	Bend	trans	-87.7	133.2	175	178.4	0	0	0	0	108.3	E275 V370 T371 I395 P396 C403 Q404	E275-V399 WeakPolarHBondContact OE1-CA 3.32Å; V370-V399 HydrophobicContact CB-CG2 4.48Å; V370-V399 HydrophobicContact CG2-CG1 4.13Å; V370-V399 HydrophobicContact CG2-CG2 4.01Å; T371-V399 HydrophobicContact CG2-CG2 4.42Å; I395-V399 HydrophobicContact CG2-CB 3.88Å; I395-V399 HydrophobicContact CG2-CG1 3.97Å; I395-V399 HydrophobicContact CG2-CG2 4.01Å; P396-V399 WeakPolarHBondContact O-CB 3.17Å; P396-V399 WeakPolarHBondContact O-CG2 3.3Å; P396-V399 PolarHBondContact O-N 3.17Å; V399-C403 HydrophobicContact CG1-CB 3.59Å; V399-C403 VanDerWaalsContact CG1-SG 3.58Å; V399-Q404 HydrophobicContact CB-CG 4.34Å; V399-Q404 HydrophobicContact CG1-CG 4.16Å; V399-Q404 PolarHBondContact O-NE2 3.36Å
400	S	98.2	Very high	97.2	Very high	41 Å²	41	55.2 Å²	55.2	29%	0.287	30%	0.3	S	S	.	.			trans	-58.5	148.8	-177.8	68.6	0	0	0	0	112.9	E275 D402 C403 Q404	E275-S400 PolarHBondContact OE1-N 3.02Å; E275-S400 PolarHBondContact OE1-OG 3.36Å; E275-S400 WeakPolarHBondContact OE2-CB 3.32Å; E275-S400 PolarHBondContact OE2-OG 3.22Å; S400-D402 PolarHBondContact O-N 2.93Å; S400-C403 WeakPolarHBondContact O-CB 3.27Å; S400-C403 PolarHBondContact O-N 3.3Å; S400-C403 VanDerWaalsContact OG-CB 3.27Å; S400-C403 WeakPolarHBondContact OG-CB 3.31Å; S400-C403 PolarHBondContact OG-N 3.02Å; S400-Q404 WeakPolarHBondContact O-CG 3.45Å; S400-Q404 PolarHBondContact O-N 2.77Å
401	D	98.3	Very high	97.4	Very high	121 Å²	121	51.7 Å²	51.7	65%	0.647	28%	0.276	S	S	*	.	H	α-helix	trans	-61.4	-33.4	-179.2	-60.1	-41.7	0	0	0	112.3	Q404 T405	D401-Q404 PolarHBondContact O-N 2.85Å; D401-Q404 PolarHBondContact OD1-NE2 2.88Å; D401-Q404 VanDerWaalsContact OD1-NE2 3.1Å; D401-T405 WeakPolarHBondContact O-CB 3.34Å; D401-T405 PolarHBondContact O-N 2.91Å; D401-T405 PolarHBondContact O-OG1 3.22Å
402	D	98.3	Very high	97.6	Very high	73 Å²	73	51 Å²	51	39%	0.39	27%	0.273	S	S	.	.	H	α-helix	trans	-60.9	-45.5	172.5	-67.8	-25.1	0	0	0	111.5	S400 T405 L406 P428 W429	S400-D402 PolarHBondContact O-N 2.93Å; D402-T405 PolarHBondContact O-N 3.27Å; D402-L406 PolarHBondContact O-N 2.92Å; D402-P428 HydrophobicContact CB-CB 4.3Å; D402-P428 WeakPolarHBondContact OD1-CB 3.36Å; D402-W429 HydrophobicContact CB-CB 3.88Å; D402-W429 HydrophobicContact CB-CG 4.4Å
403	C	98.5	Very high	97.6	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-68	-42.6	177.1	-170.7	0	0	0	0	111.5	V399 S400 T405 L406 I407 W429	V399-C403 HydrophobicContact CG1-CB 3.59Å; V399-C403 VanDerWaalsContact CG1-SG 3.58Å; S400-C403 WeakPolarHBondContact O-CB 3.27Å; S400-C403 PolarHBondContact O-N 3.3Å; S400-C403 VanDerWaalsContact OG-CB 3.27Å; S400-C403 WeakPolarHBondContact OG-CB 3.31Å; S400-C403 PolarHBondContact OG-N 3.02Å; C403-T405 VanDerWaalsContact C-N 3.29Å; C403-T405 PolarHBondContact O-N 3.26Å; C403-L406 PolarHBondContact O-N 3.22Å; C403-I407 WeakPolarHBondContact O-CB 3.31Å; C403-I407 VanDerWaalsContact O-CG1 3.31Å; C403-I407 WeakPolarHBondContact O-CG1 3.21Å; C403-I407 PolarHBondContact O-N 3.5Å; C403-W429 HydrophobicContact CB-CD2 4.34Å; C403-W429 HydrophobicContact CB-CG 4.11Å; C403-W429 HydrophobicContact CB-CZ2 4.5Å
404	Q	98.6	Very high	97.5	Very high	51 Å²	51	49.2 Å²	49.2	24%	0.238	27%	0.269	C	S	.	.	H	α-helix	trans	-58.2	-42.4	174.8	-71.5	-178.9	67.2	0	0	111.5	I395 V399 S400 D401 S408	I395-Q404 HydrophobicContact CB-CG 4.1Å; I395-Q404 HydrophobicContact CD1-CB 3.97Å; I395-Q404 HydrophobicContact CD1-CG 4.1Å; I395-Q404 HydrophobicContact CG2-CG 3.79Å; V399-Q404 HydrophobicContact CB-CG 4.34Å; V399-Q404 HydrophobicContact CG1-CG 4.16Å; V399-Q404 PolarHBondContact O-NE2 3.36Å; S400-Q404 WeakPolarHBondContact O-CG 3.45Å; S400-Q404 PolarHBondContact O-N 2.77Å; D401-Q404 PolarHBondContact O-N 2.85Å; D401-Q404 PolarHBondContact OD1-NE2 2.88Å; D401-Q404 VanDerWaalsContact OD1-NE2 3.1Å; Q404-S408 WeakPolarHBondContact O-CB 3.46Å; Q404-S408 PolarHBondContact O-N 3.1Å; Q404-S408 PolarHBondContact O-OG 2.91Å
405	T	98.2	Very high	97.4	Very high	70 Å²	70	41 Å²	41	43%	0.429	24%	0.243	S	C	.	.	H	α-helix	trans	-64.2	-47.1	177.5	-59.5	0	0	0	0	111.3	D401 D402 C403 S408 G409	D401-T405 WeakPolarHBondContact O-CB 3.34Å; D401-T405 PolarHBondContact O-N 2.91Å; D401-T405 PolarHBondContact O-OG1 3.22Å; D402-T405 PolarHBondContact O-N 3.27Å; C403-T405 VanDerWaalsContact C-N 3.29Å; C403-T405 PolarHBondContact O-N 3.26Å; T405-S408 PolarHBondContact O-N 3.44Å; T405-G409 PolarHBondContact O-N 3.25Å
406	L	98.7	Very high	97.2	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-60.3	-49	176	177	60.7	0	0	0	112.4	I366 D402 C403 S408 G409 L410 Y419 A424 W429 F430	I366-L406 HydrophobicContact CD1-CD2 3.97Å; I366-L406 HydrophobicContact CD1-CG 4.39Å; D402-L406 PolarHBondContact O-N 2.92Å; C403-L406 PolarHBondContact O-N 3.22Å; L406-S408 VanDerWaalsContact C-N 3.29Å; L406-S408 PolarHBondContact O-N 3.2Å; L406-G409 PolarHBondContact O-N 3.26Å; L406-L410 HydrophobicContact CD1-CD1 3.81Å; L406-L410 HydrophobicContact CD1-CG 4.17Å; L406-L410 HydrophobicContact CG-CD1 3.98Å; L406-L410 WeakPolarHBondContact O-CG 3.03Å; L406-L410 PolarHBondContact O-N 2.94Å; L406-Y419 HydrophobicContact CD1-CD2 4.2Å; L406-Y419 HydrophobicContact CD1-CE2 4.47Å; L406-A424 HydrophobicContact CD1-CB 4.27Å; L406-W429 HydrophobicContact CD2-CB 4.32Å; L406-W429 HydrophobicContact CD2-CD2 4.15Å; L406-W429 HydrophobicContact CD2-CE3 3.36Å; L406-W429 HydrophobicContact CD2-CZ3 3.89Å; L406-F430 HydrophobicContact CD1-CE2 4.3Å; L406-F430 HydrophobicContact CD2-CD2 4.11Å; L406-F430 HydrophobicContact CD2-CE2 3.45Å; L406-F430 VanDerWaalsContact CD2-CE2 3.45Å; L406-F430 HydrophobicContact CD2-CZ 3.82Å
407	I	98.6	Very high	97.1	Very high	0 Å²	0	55 Å²	55	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-58.1	-44.8	178	-70.7	168.6	0	0	0	109.9	I366 F367 V370 Y393 I395 C403 L410 L411	I366-I407 HydrophobicContact CB-CG1 4.33Å; I366-I407 HydrophobicContact CG2-CD1 4.03Å; I366-I407 HydrophobicContact CG2-CG1 3.73Å; F367-I407 HydrophobicContact CB-CD1 4.3Å; F367-I407 HydrophobicContact CB-CG2 4.43Å; F367-I407 HydrophobicContact CD2-CD1 4.42Å; F367-I407 HydrophobicContact CD2-CG2 4.18Å; V370-I407 HydrophobicContact CG2-CD1 4.07Å; Y393-I407 HydrophobicContact CE2-CG2 4.03Å; I395-I407 HydrophobicContact CD1-CB 3.89Å; I395-I407 HydrophobicContact CD1-CD1 4.41Å; I395-I407 HydrophobicContact CD1-CG2 3.69Å; I395-I407 HydrophobicContact CG1-CG2 4.35Å; I395-I407 HydrophobicContact CG2-CD1 4.45Å; C403-I407 WeakPolarHBondContact O-CB 3.31Å; C403-I407 VanDerWaalsContact O-CG1 3.31Å; C403-I407 WeakPolarHBondContact O-CG1 3.21Å; C403-I407 PolarHBondContact O-N 3.5Å; I407-L410 PolarHBondContact O-N 2.99Å; I407-L411 HydrophobicContact CG2-CD1 3.77Å; I407-L411 HydrophobicContact CG2-CG 4.26Å; I407-L411 WeakPolarHBondContact O-CB 3.46Å; I407-L411 WeakPolarHBondContact O-CG 3.09Å; I407-L411 PolarHBondContact O-N 3.32Å
408	S	98.1	Very high	97.2	Very high	49 Å²	49	50.3 Å²	50.3	34%	0.343	26%	0.256	S	S	.	.	H	α-helix	trans	-66.4	-38.9	-178.6	-56.4	0	0	0	0	112.7	Y393 Q404 T405 L406 L411 T412	Y393-S408 WeakPolarHBondContact OH-CA 3.19Å; Q404-S408 WeakPolarHBondContact O-CB 3.46Å; Q404-S408 PolarHBondContact O-N 3.1Å; Q404-S408 PolarHBondContact O-OG 2.91Å; T405-S408 PolarHBondContact O-N 3.44Å; L406-S408 VanDerWaalsContact C-N 3.29Å; L406-S408 PolarHBondContact O-N 3.2Å; S408-L411 CarbonylContact O-C 3.41Å; S408-T412 PolarHBondContact O-N 2.84Å; S408-T412 PolarHBondContact O-OG1 3.42Å
409	G	98.3	Very high	97.3	Very high	6 Å²	6	47.8 Å²	47.8	6%	0.062	25%	0.246	C	C	.	.	H	α-helix	trans	-65.8	-33.6	174.4	0	0	0	0	0	113.8	T405 L406 R418 Y419	T405-G409 PolarHBondContact O-N 3.25Å; L406-G409 PolarHBondContact O-N 3.26Å; G409-R418 WeakPolarHBondContact O-CA 3.02Å; G409-Y419 PolarHBondContact O-N 2.95Å
410	L	98.5	Very high	97.2	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-79.7	-38.1	175.1	-66.6	169.7	0	0	0	112.5	L359 L362 I366 L406 I407 T412 R418 A424	L359-L410 HydrophobicContact CB-CD2 4Å; L359-L410 HydrophobicContact CD2-CD2 4.41Å; L362-L410 HydrophobicContact CD2-CD1 4.44Å; L362-L410 HydrophobicContact CG-CD1 4.32Å; I366-L410 HydrophobicContact CD1-CD1 3.72Å; L406-L410 HydrophobicContact CD1-CD1 3.81Å; L406-L410 HydrophobicContact CD1-CG 4.17Å; L406-L410 HydrophobicContact CG-CD1 3.98Å; L406-L410 WeakPolarHBondContact O-CG 3.03Å; L406-L410 PolarHBondContact O-N 2.94Å; I407-L410 PolarHBondContact O-N 2.99Å; L410-T412 PolarHBondContact O-N 3.4Å; L410-R418 WeakPolarHBondContact O-CD 3.14Å; L410-R418 WeakPolarHBondContact O-CG 3.49Å; L410-A424 HydrophobicContact CD2-CB 4.23Å
411	L	98.2	Very high	97.1	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.258	C	S	.	.	S	Bend	trans	-90.3	44.9	176.2	-59.5	-174.2	0	0	0	112	W360 V364 P375 F376 N391 Y393 I407 S408	W360-L411 HydrophobicContact CD2-CD2 3.81Å; W360-L411 HydrophobicContact CE3-CD2 4.04Å; W360-L411 HydrophobicContact CG-CD2 4.29Å; W360-L411 HydrophobicContact CH2-CB 4.49Å; W360-L411 HydrophobicContact CH2-CD2 4.36Å; W360-L411 HydrophobicContact CZ2-CD2 4.15Å; W360-L411 HydrophobicContact CZ3-CB 4.23Å; W360-L411 HydrophobicContact CZ3-CD2 4.31Å; V364-L411 HydrophobicContact CG2-CD2 3.72Å; P375-L411 HydrophobicContact CB-CD1 4.45Å; P375-L411 HydrophobicContact CG-CD1 4.3Å; F376-L411 HydrophobicContact CE2-CD1 4.23Å; F376-L411 HydrophobicContact CE2-CD2 4.25Å; F376-L411 HydrophobicContact CZ-CD1 4.35Å; N391-L411 PolarHBondContact ND2-O 3.43Å; N391-L411 PolarHBondContact OD1-O 3.35Å; Y393-L411 HydrophobicContact CD2-CD1 4.32Å; Y393-L411 HydrophobicContact CE1-CB 4.03Å; Y393-L411 HydrophobicContact CE1-CD1 4.17Å; Y393-L411 HydrophobicContact CE2-CD1 3.93Å; I407-L411 HydrophobicContact CG2-CD1 3.77Å; I407-L411 HydrophobicContact CG2-CG 4.26Å; I407-L411 WeakPolarHBondContact O-CB 3.46Å; I407-L411 WeakPolarHBondContact O-CG 3.09Å; I407-L411 PolarHBondContact O-N 3.32Å; S408-L411 CarbonylContact O-C 3.41Å
412	T	97.4	Very high	97.1	Very high	35 Å²	35	48.3 Å²	48.3	22%	0.215	26%	0.255	C	S	.	.			trans	-99	126.8	172.8	-72.2	0	0	0	0	110.1	S408 L410 R417 R418	S408-T412 PolarHBondContact O-N 2.84Å; S408-T412 PolarHBondContact O-OG1 3.42Å; L410-T412 PolarHBondContact O-N 3.4Å; T412-R417 HydrophobicContact CG2-CB 3.72Å; T412-R418 PolarHBondContact O-NE 2.88Å; T412-R418 PolarHBondContact O-NH2 2.85Å
413	N	94.2	Very high	97	Very high	49 Å²	49	49.3 Å²	49.3	26%	0.262	26%	0.258	S	S	.	.	S	Bend	trans	-67.2	-40.1	-174.5	-74.4	14	0	0	0	113.4	P344 W360 I388 L389 N391 V415 R418	P344-N413 HydrophobicContact CG-CB 4.27Å; W360-N413 WeakPolarHBondContact CH2-OD1 3.19Å; W360-N413 WeakPolarHBondContact CZ3-OD1 3.15Å; I388-N413 PolarHBondContact O-ND2 3.26Å; L389-N413 PolarHBondContact O-ND2 3.12Å; L389-N413 VanDerWaalsContact O-ND2 3.16Å; N391-N413 PolarHBondContact OD1-OD1 2.96Å; N413-V415 PolarHBondContact O-N 3.41Å; N413-R418 PolarHBondContact O-NH2 2.14Å
414	S	93.5	Very high	97	Very high	37 Å²	37	49.3 Å²	49.3	26%	0.259	26%	0.258	S	S	.	.	S	Bend	trans	-70.3	120.4	172.9	154.5	0	0	0	0	109.7	E416 R417 R418	S414-E416 WeakPolarHBondContact CB-OE2 3.12Å; S414-E416 PolarHBondContact O-N 2.91Å; S414-E416 PolarHBondContact OG-OE2 3.42Å; S414-R417 PolarHBondContact O-N 2.88Å; S414-R417 WeakPolarHBondContact OG-CG 3.25Å; S414-R417 PolarHBondContact OG-N 3.14Å; S414-R418 PolarHBondContact O-N 3.02Å
415	V	93.6	Very high	96.9	Very high	40 Å²	40	48.4 Å²	48.4	24%	0.242	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-33.1	-178.9	174	0	0	0	0	111	E345 A356 N413 R417 R418	E345-V415 HydrophobicContact CB-CG2 4.32Å; E345-V415 HydrophobicContact CG-CG2 4.15Å; A356-V415 HydrophobicContact CB-CG1 3.73Å; N413-V415 PolarHBondContact O-N 3.41Å; V415-R417 VanDerWaalsContact C-N 3.32Å; V415-R417 PolarHBondContact O-N 3.4Å; V415-R418 PolarHBondContact O-N 3.06Å
416	E	93.3	Very high	96.9	Very high	163 Å²	163	49.4 Å²	49.4	76%	0.762	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-26.6	-179.2	-48.1	70.8	-151.9	0	0	112.5	S414	S414-E416 WeakPolarHBondContact CB-OE2 3.12Å; S414-E416 PolarHBondContact O-N 2.91Å; S414-E416 PolarHBondContact OG-OE2 3.42Å
417	R	96.3	Very high	96.8	Very high	198 Å²	198	49.6 Å²	49.6	75%	0.747	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.9	-15.6	178.3	-65.8	179.8	-176.4	-170.4	1.4	113.1	T412 S414 V415	T412-R417 HydrophobicContact CG2-CB 3.72Å; S414-R417 PolarHBondContact O-N 2.88Å; S414-R417 WeakPolarHBondContact OG-CG 3.25Å; S414-R417 PolarHBondContact OG-N 3.14Å; V415-R417 VanDerWaalsContact C-N 3.32Å; V415-R417 PolarHBondContact O-N 3.4Å
418	R	97.7	Very high	96.8	Very high	6 Å²	6	52.4 Å²	52.4	2%	0.023	28%	0.282	C	S	.	.	S	Bend	trans	-64.1	140.5	176.9	-166	179.3	-57.7	153.6	8.2	109.9	E345 A356 G409 L410 T412 N413 S414 V415 T420	E345-R418 IonicContact OE1-CZ 3.46Å; E345-R418 IonicContact OE1-NH1 3.75Å; E345-R418 PolarHBondContact OE1-NH1 3.39Å; E345-R418 IonicContact OE1-NH2 2.74Å; E345-R418 IonicContact OE2-CZ 2.77Å; E345-R418 IonicContact OE2-NH1 3.27Å; E345-R418 PolarHBondContact OE2-NH1 3.44Å; E345-R418 IonicContact OE2-NH2 3.58Å; E345-R418 PolarHBondContact OE2-NH2 3.44Å; A356-R418 WeakPolarHBondContact O-CD 3.21Å; A356-R418 PolarHBondContact O-NH1 3.29Å; G409-R418 WeakPolarHBondContact O-CA 3.02Å; L410-R418 WeakPolarHBondContact O-CD 3.14Å; L410-R418 WeakPolarHBondContact O-CG 3.49Å; T412-R418 PolarHBondContact O-NE 2.88Å; T412-R418 PolarHBondContact O-NH2 2.85Å; N413-R418 PolarHBondContact O-NH2 2.14Å; S414-R418 PolarHBondContact O-N 3.02Å; V415-R418 PolarHBondContact O-N 3.06Å; R418-T420 PolarHBondContact O-N 2.81Å
419	Y	98.2	Very high	96.8	Very high	62 Å²	62	50.1 Å²	50.1	24%	0.243	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-59.3	125.5	178.1	-76.5	7.9	0	0	0	110.9	L359 L406 G409 Q423	L359-Y419 VanDerWaalsContact CD1-O 3.23Å; L359-Y419 WeakPolarHBondContact CD1-O 3.16Å; L406-Y419 HydrophobicContact CD1-CD2 4.2Å; L406-Y419 HydrophobicContact CD1-CE2 4.47Å; G409-Y419 PolarHBondContact O-N 2.95Å; Y419-Q423 HydrophobicContact CD1-CB 4.35Å; Y419-Q423 HydrophobicContact CG-CB 4.11Å
420	T	97.1	Very high	96.8	Very high	72 Å²	72	50 Å²	50	44%	0.442	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-69.1	168	163.1	60	0	0	0	0	111	R418 S422 Q423 A424	R418-T420 PolarHBondContact O-N 2.81Å; T420-S422 PolarHBondContact O-N 3.38Å; T420-Q423 PolarHBondContact O-N 3.34Å; T420-Q423 PolarHBondContact OG1-N 2.85Å; T420-Q423 PolarHBondContact OG1-OE1 3.41Å; T420-A424 WeakPolarHBondContact O-CB 3.35Å; T420-A424 PolarHBondContact O-N 3.43Å
421	V	96.6	Very high	96.6	Very high	19 Å²	19	56.4 Å²	56.4	12%	0.115	30%	0.298	C	S	.	.	H	α-helix	trans	-51.5	-44.6	173.8	176.3	0	0	0	0	111.5	L286 D290 L359 A424 K425	L286-V421 HydrophobicContact CD1-CG1 4.1Å; L286-V421 HydrophobicContact CD1-CG2 4.44Å; D290-V421 HydrophobicContact CB-CG1 3.68Å; L359-V421 HydrophobicContact CD1-CG2 4.02Å; L359-V421 HydrophobicContact CD2-CG2 4.22Å; V421-A424 PolarHBondContact O-N 3.01Å; V421-K425 HydrophobicContact CG1-CD 4.19Å; V421-K425 HydrophobicContact CG1-CG 4.39Å; V421-K425 WeakPolarHBondContact O-CB 3.07Å; V421-K425 WeakPolarHBondContact O-CG 3.5Å; V421-K425 PolarHBondContact O-N 3.01Å
422	S	96.4	Very high	96.3	Very high	84 Å²	84	61.2 Å²	61.2	59%	0.587	32%	0.324	S	S	*	.	H	α-helix	trans	-65	-46.2	-179	-165.3	0	0	0	0	112	T420 A424 K425 S426	T420-S422 PolarHBondContact O-N 3.38Å; S422-A424 PolarHBondContact O-N 3.3Å; S422-K425 PolarHBondContact O-N 2.83Å; S422-S426 PolarHBondContact O-N 2.9Å; S422-S426 PolarHBondContact O-OG 3.48Å
423	Q	97.8	Very high	96.1	Very high	95 Å²	95	61 Å²	61	44%	0.444	32%	0.321	S	S	.	.	H	α-helix	trans	-64	-40.1	176.6	-72.1	161	-51.8	0	0	112.3	Y419 T420 S426 S427	Y419-Q423 HydrophobicContact CD1-CB 4.35Å; Y419-Q423 HydrophobicContact CG-CB 4.11Å; T420-Q423 PolarHBondContact O-N 3.34Å; T420-Q423 PolarHBondContact OG1-N 2.85Å; T420-Q423 PolarHBondContact OG1-OE1 3.41Å; Q423-S426 PolarHBondContact O-N 3.36Å; Q423-S427 PolarHBondContact O-N 3.02Å
424	A	98.1	Very high	95.9	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-63.3	-44.6	175.1	0	0	0	0	0	111.4	L286 L406 L410 T420 V421 S422 S426 S427 F430	L286-A424 HydrophobicContact CD2-CB 3.75Å; L406-A424 HydrophobicContact CD1-CB 4.27Å; L410-A424 HydrophobicContact CD2-CB 4.23Å; T420-A424 WeakPolarHBondContact O-CB 3.35Å; T420-A424 PolarHBondContact O-N 3.43Å; V421-A424 PolarHBondContact O-N 3.01Å; S422-A424 PolarHBondContact O-N 3.3Å; A424-S426 VanDerWaalsContact C-N 3.29Å; A424-S426 PolarHBondContact O-N 3.43Å; A424-S427 VanDerWaalsContact O-CB 3.23Å; A424-S427 WeakPolarHBondContact O-CB 3.44Å; A424-S427 PolarHBondContact O-N 2.64Å; A424-S427 VanDerWaalsContact O-N 3.15Å; A424-F430 VanDerWaalsContact O-CD2 3.28Å; A424-F430 WeakPolarHBondContact O-CD2 3.42Å
425	K	97	Very high	95.8	Very high	31 Å²	31	63.1 Å²	63.1	14%	0.135	33%	0.327	C	S	.	.	H	α-helix	trans	-62.4	-32.8	175.9	-76.2	-173.2	169.2	-173.8	0	113.5	L286 D290 V421 S422 S427 W435	L286-K425 HydrophobicContact CD2-CG 3.9Å; L286-K425 HydrophobicContact CG-CG 4.31Å; D290-K425 IonicContact OD2-NZ 3.66Å; D290-K425 PolarHBondContact OD2-NZ 2.93Å; V421-K425 HydrophobicContact CG1-CD 4.19Å; V421-K425 HydrophobicContact CG1-CG 4.39Å; V421-K425 WeakPolarHBondContact O-CB 3.07Å; V421-K425 WeakPolarHBondContact O-CG 3.5Å; V421-K425 PolarHBondContact O-N 3.01Å; S422-K425 PolarHBondContact O-N 2.83Å; K425-S427 VanDerWaalsContact C-N 3.3Å; K425-W435 HydrophobicContact CB-CD2 4.32Å; K425-W435 HydrophobicContact CB-CZ2 3.98Å; K425-W435 HydrophobicContact CD-CD2 3.94Å; K425-W435 HydrophobicContact CD-CE3 3.98Å; K425-W435 HydrophobicContact CD-CG 4.38Å; K425-W435 HydrophobicContact CD-CZ3 4.34Å; K425-W435 HydrophobicContact CG-CD2 3.89Å; K425-W435 HydrophobicContact CG-CE3 4.02Å; K425-W435 HydrophobicContact CG-CH2 3.86Å; K425-W435 HydrophobicContact CG-CZ2 3.71Å; K425-W435 HydrophobicContact CG-CZ3 4Å; K425-W435 PolarHBondContact O-NE1 3.13Å; K425-W435 VanDerWaalsContact O-NE1 3.08Å
426	S	96.8	Very high	95.4	Very high	92 Å²	92	67.2 Å²	67.2	64%	0.643	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	6.2	175.9	-61.8	0	0	0	0	114.6	S422 Q423 A424	S422-S426 PolarHBondContact O-N 2.9Å; S422-S426 PolarHBondContact O-OG 3.48Å; Q423-S426 PolarHBondContact O-N 3.36Å; A424-S426 VanDerWaalsContact C-N 3.29Å; A424-S426 PolarHBondContact O-N 3.43Å
427	S	97.7	Very high	94.9	Very high	4 Å²	4	63.3 Å²	63.3	3%	0.028	32%	0.324	C	S	.	.	S	Bend	trans	-66	139.1	175.4	178.2	0	0	0	0	111.4	Q423 A424 K425 W429 F430	Q423-S427 PolarHBondContact O-N 3.02Å; A424-S427 VanDerWaalsContact O-CB 3.23Å; A424-S427 WeakPolarHBondContact O-CB 3.44Å; A424-S427 PolarHBondContact O-N 2.64Å; A424-S427 VanDerWaalsContact O-N 3.15Å; K425-S427 VanDerWaalsContact C-N 3.3Å; S427-W429 PolarHBondContact O-N 2.95Å; S427-W429 PolarHBondContact OG-N 3.45Å; S427-F430 PolarHBondContact O-N 2.87Å
428	P	97.6	Very high	94.2	Very high	58 Å²	58	54.8 Å²	54.8	38%	0.377	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-52.1	-30.3	174.4	-29.7	36.8	0	0	0	114.3	D402 F430 N431	D402-P428 HydrophobicContact CB-CB 4.3Å; D402-P428 WeakPolarHBondContact OD1-CB 3.36Å; P428-F430 PolarHBondContact O-N 3.23Å; P428-F430 VanDerWaalsContact O-N 3.11Å; P428-N431 WeakPolarHBondContact CA-ND2 3.48Å; P428-N431 VanDerWaalsContact O-CB 3.32Å; P428-N431 WeakPolarHBondContact O-CB 3.27Å; P428-N431 PolarHBondContact O-N 2.97Å; P428-N431 VanDerWaalsContact O-N 3.07Å; P428-N431 PolarHBondContact O-ND2 3.46Å
429	W	98.2	Very high	93	Very high	2 Å²	2	58.8 Å²	58.8	1%	0.008	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-65.6	-12.6	178.1	-165	69.7	0	0	0	114	E275 R279 I366 V370 D402 C403 L406 S427	E275-W429 HydrophobicContact CB-CZ2 4.44Å; E275-W429 PolarHBondContact OE2-NE1 3.44Å; R279-W429 HydrophobicContact CB-CD2 4.36Å; R279-W429 HydrophobicContact CB-CE3 4.26Å; R279-W429 HydrophobicContact CB-CH2 3.81Å; R279-W429 HydrophobicContact CB-CZ2 3.82Å; R279-W429 HydrophobicContact CB-CZ3 4.02Å; R279-W429 WeakPolarHBondContact CD-O 3.36Å; R279-W429 HydrophobicContact CG-CD2 4.22Å; R279-W429 HydrophobicContact CG-CE3 4.02Å; R279-W429 HydrophobicContact CG-CH2 4.45Å; R279-W429 HydrophobicContact CG-CZ3 4.17Å; R279-W429 WeakPolarHBondContact CG-O 3.27Å; R279-W429 PolarHBondContact NE-O 2.6Å; I366-W429 HydrophobicContact CG2-CH2 4.06Å; I366-W429 HydrophobicContact CG2-CZ3 4.27Å; V370-W429 HydrophobicContact CG1-CZ2 4.31Å; D402-W429 HydrophobicContact CB-CB 3.88Å; D402-W429 HydrophobicContact CB-CG 4.4Å; C403-W429 HydrophobicContact CB-CD2 4.34Å; C403-W429 HydrophobicContact CB-CG 4.11Å; C403-W429 HydrophobicContact CB-CZ2 4.5Å; L406-W429 HydrophobicContact CD2-CB 4.32Å; L406-W429 HydrophobicContact CD2-CD2 4.15Å; L406-W429 HydrophobicContact CD2-CE3 3.36Å; L406-W429 HydrophobicContact CD2-CZ3 3.89Å; S427-W429 PolarHBondContact O-N 2.95Å; S427-W429 PolarHBondContact OG-N 3.45Å
430	F	97.9	Very high	91.4	Very high	4 Å²	4	60.3 Å²	60.3	2%	0.018	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-112.1	15.6	174.3	-65.9	-58.7	0	0	0	113.5	R279 L286 L406 A424 S427 P428 D432 I433 W435	R279-F430 HydrophobicContact CG-CD1 3.62Å; R279-F430 HydrophobicContact CG-CE1 3.91Å; L286-F430 HydrophobicContact CD2-CE2 4.11Å; L406-F430 HydrophobicContact CD1-CE2 4.3Å; L406-F430 HydrophobicContact CD2-CD2 4.11Å; L406-F430 HydrophobicContact CD2-CE2 3.45Å; L406-F430 VanDerWaalsContact CD2-CE2 3.45Å; L406-F430 HydrophobicContact CD2-CZ 3.82Å; A424-F430 VanDerWaalsContact O-CD2 3.28Å; A424-F430 WeakPolarHBondContact O-CD2 3.42Å; S427-F430 PolarHBondContact O-N 2.87Å; P428-F430 PolarHBondContact O-N 3.23Å; P428-F430 VanDerWaalsContact O-N 3.11Å; F430-D432 PolarHBondContact O-N 3.24Å; F430-D432 VanDerWaalsContact O-N 3.13Å; F430-I433 HydrophobicContact CB-CB 4.33Å; F430-I433 HydrophobicContact CB-CG1 4.06Å; F430-I433 HydrophobicContact CD1-CG1 3.83Å; F430-I433 HydrophobicContact CG-CG1 4.41Å; F430-I433 WeakPolarHBondContact O-CB 3.48Å; F430-I433 PolarHBondContact O-N 3.48Å; F430-W435 HydrophobicContact CB-CZ2 3.75Å; F430-W435 HydrophobicContact CD1-CH2 4.45Å; F430-W435 HydrophobicContact CD1-CZ2 4.17Å; F430-W435 HydrophobicContact CD2-CH2 4.33Å; F430-W435 AromaticContact CD2-CZ2 3.81Å; F430-W435 HydrophobicContact CD2-CZ2 3.81Å; F430-W435 HydrophobicContact CE2-CH2 4.45Å; F430-W435 HydrophobicContact CE2-CZ2 4.36Å; F430-W435 HydrophobicContact CG-CH2 4.31Å; F430-W435 AromaticContact CG-CZ2 3.68Å; F430-W435 HydrophobicContact CG-CZ2 3.68Å
431	N	94.7	Very high	89.3	Confident	134 Å²	134	61.7 Å²	61.7	72%	0.717	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-25.6	-178.9	-80.4	-19.1	0	0	0	114.6	P428	P428-N431 WeakPolarHBondContact CA-ND2 3.48Å; P428-N431 VanDerWaalsContact O-CB 3.32Å; P428-N431 WeakPolarHBondContact O-CB 3.27Å; P428-N431 PolarHBondContact O-N 2.97Å; P428-N431 VanDerWaalsContact O-N 3.07Å; P428-N431 PolarHBondContact O-ND2 3.46Å
432	D	91.8	Very high	86.9	Confident	101 Å²	101	65.7 Å²	65.7	54%	0.54	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	6.5	176.6	63.9	-28.4	0	0	0	113.8	R279 F430	R279-D432 WeakPolarHBondContact CD-OD1 3.46Å; R279-D432 IonicContact CZ-OD1 3.43Å; R279-D432 IonicContact CZ-OD2 3.55Å; R279-D432 IonicContact NE-OD1 3.7Å; R279-D432 PolarHBondContact NE-OD1 2.92Å; R279-D432 IonicContact NH1-OD1 2.76Å; R279-D432 PolarHBondContact NH1-OD1 2.92Å; R279-D432 IonicContact NH1-OD2 3.73Å; R279-D432 PolarHBondContact NH1-OD2 3.14Å; F430-D432 PolarHBondContact O-N 3.24Å; F430-D432 VanDerWaalsContact O-N 3.13Å
433	I	93.4	Very high	84.4	Confident	29 Å²	29	65.9 Å²	65.9	15%	0.149	34%	0.342	C	S	.	.			trans	-98.3	117.3	-179.5	-58.7	-55.8	0	0	0	111.6	R279 F430 W435 L438	R279-I433 HydrophobicContact CG-CD1 4.19Å; R279-I433 HydrophobicContact CG-CG1 4.28Å; F430-I433 HydrophobicContact CB-CB 4.33Å; F430-I433 HydrophobicContact CB-CG1 4.06Å; F430-I433 HydrophobicContact CD1-CG1 3.83Å; F430-I433 HydrophobicContact CG-CG1 4.41Å; F430-I433 WeakPolarHBondContact O-CB 3.48Å; F430-I433 PolarHBondContact O-N 3.48Å; I433-W435 HydrophobicContact CG2-CD2 3.91Å; I433-W435 HydrophobicContact CG2-CE3 4.19Å; I433-W435 HydrophobicContact CG2-CG 4.33Å; I433-W435 HydrophobicContact CG2-CH2 4.43Å; I433-W435 HydrophobicContact CG2-CZ2 4.16Å; I433-W435 HydrophobicContact CG2-CZ3 4.45Å; I433-W435 PolarHBondContact O-N 3.27Å; I433-W435 VanDerWaalsContact O-N 3.11Å; I433-L438 HydrophobicContact CG2-CD1 3.44Å; I433-L438 VanDerWaalsContact CG2-CD1 3.44Å; I433-L438 HydrophobicContact CG2-CG 4.39Å
434	D	91.2	Very high	82.1	Confident	90 Å²	90	63.9 Å²	63.9	48%	0.481	34%	0.337	S	S	.	.			trans	-76.5	95	163.8	-176.1	-10.2	0	0	0	110.3	Q436 H437 L438	D434-Q436 VanDerWaalsContact C-N 3.26Å; D434-Q436 PolarHBondContact O-N 3.25Å; D434-Q436 WeakPolarHBondContact OD1-CA 3.26Å; D434-Q436 VanDerWaalsContact OD1-CB 3.3Å; D434-Q436 WeakPolarHBondContact OD1-CB 3.4Å; D434-Q436 PolarHBondContact OD1-N 2.88Å; D434-H437 HydrophobicContact CB-CB 3.79Å; D434-H437 VanDerWaalsContact CG-CB 3.42Å; D434-H437 PolarHBondContact O-N 2.91Å; D434-H437 PolarHBondContact OD1-N 2.84Å; D434-H437 WeakPolarHBondContact OD2-CB 3.45Å; D434-L438 PolarHBondContact O-N 2.83Å; D434-L438 VanDerWaalsContact O-N 3.1Å
435	W	90.6	Very high	80.4	Confident	42 Å²	42	63.9 Å²	63.9	16%	0.159	34%	0.337	C	S	.	.	H	α-helix	trans	-61.5	-30.1	174.5	-67.3	109.2	0	0	0	113.6	S283 L286 K425 F430 I433 L438 M439	S283-W435 WeakPolarHBondContact O-CZ3 3.5Å; L286-W435 HydrophobicContact CB-CH2 4.22Å; L286-W435 HydrophobicContact CB-CZ3 4.36Å; L286-W435 HydrophobicContact CD2-CH2 3.8Å; L286-W435 HydrophobicContact CD2-CZ2 4.43Å; L286-W435 HydrophobicContact CD2-CZ3 4.46Å; L286-W435 HydrophobicContact CG-CH2 4.21Å; L286-W435 HydrophobicContact CG-CZ3 4.41Å; K425-W435 HydrophobicContact CB-CD2 4.32Å; K425-W435 HydrophobicContact CB-CZ2 3.98Å; K425-W435 HydrophobicContact CD-CD2 3.94Å; K425-W435 HydrophobicContact CD-CE3 3.98Å; K425-W435 HydrophobicContact CD-CG 4.38Å; K425-W435 HydrophobicContact CD-CZ3 4.34Å; K425-W435 HydrophobicContact CG-CD2 3.89Å; K425-W435 HydrophobicContact CG-CE3 4.02Å; K425-W435 HydrophobicContact CG-CH2 3.86Å; K425-W435 HydrophobicContact CG-CZ2 3.71Å; K425-W435 HydrophobicContact CG-CZ3 4Å; K425-W435 PolarHBondContact O-NE1 3.13Å; K425-W435 VanDerWaalsContact O-NE1 3.08Å; F430-W435 HydrophobicContact CB-CZ2 3.75Å; F430-W435 HydrophobicContact CD1-CH2 4.45Å; F430-W435 HydrophobicContact CD1-CZ2 4.17Å; F430-W435 HydrophobicContact CD2-CH2 4.33Å; F430-W435 AromaticContact CD2-CZ2 3.81Å; F430-W435 HydrophobicContact CD2-CZ2 3.81Å; F430-W435 HydrophobicContact CE2-CH2 4.45Å; F430-W435 HydrophobicContact CE2-CZ2 4.36Å; F430-W435 HydrophobicContact CG-CH2 4.31Å; F430-W435 AromaticContact CG-CZ2 3.68Å; F430-W435 HydrophobicContact CG-CZ2 3.68Å; I433-W435 HydrophobicContact CG2-CD2 3.91Å; I433-W435 HydrophobicContact CG2-CE3 4.19Å; I433-W435 HydrophobicContact CG2-CG 4.33Å; I433-W435 HydrophobicContact CG2-CH2 4.43Å; I433-W435 HydrophobicContact CG2-CZ2 4.16Å; I433-W435 HydrophobicContact CG2-CZ3 4.45Å; I433-W435 PolarHBondContact O-N 3.27Å; I433-W435 VanDerWaalsContact O-N 3.11Å; W435-L438 HydrophobicContact CE3-CD1 3.95Å; W435-L438 HydrophobicContact CZ3-CD1 4.06Å; W435-M439 VanDerWaalsContact O-CG 3.29Å; W435-M439 WeakPolarHBondContact O-CG 3.39Å; W435-M439 PolarHBondContact O-N 3.28Å
436	Q	85.5	Confident	78.9	Confident	126 Å²	126	65.5 Å²	65.5	59%	0.589	35%	0.351	S	S	*	.	H	α-helix	trans	-70.5	-40.6	176.2	-57	-172	9.1	0	0	110.6	D434 M439 K440	D434-Q436 VanDerWaalsContact C-N 3.26Å; D434-Q436 PolarHBondContact O-N 3.25Å; D434-Q436 WeakPolarHBondContact OD1-CA 3.26Å; D434-Q436 VanDerWaalsContact OD1-CB 3.3Å; D434-Q436 WeakPolarHBondContact OD1-CB 3.4Å; D434-Q436 PolarHBondContact OD1-N 2.88Å; Q436-M439 PolarHBondContact O-N 3.28Å; Q436-K440 WeakPolarHBondContact O-CB 3.34Å; Q436-K440 WeakPolarHBondContact O-CD 3.25Å; Q436-K440 WeakPolarHBondContact O-CG 3.27Å; Q436-K440 PolarHBondContact O-N 3.02Å
437	H	81.5	Confident	78.2	Confident	80 Å²	80	64.3 Å²	64.3	37%	0.37	34%	0.337	S	S	.	.	H	α-helix	trans	-61.6	-45.7	175.3	178.5	79	0	0	0	111.3	D434 M439 K440 D443	D434-H437 HydrophobicContact CB-CB 3.79Å; D434-H437 VanDerWaalsContact CG-CB 3.42Å; D434-H437 PolarHBondContact O-N 2.91Å; D434-H437 PolarHBondContact OD1-N 2.84Å; D434-H437 WeakPolarHBondContact OD2-CB 3.45Å; H437-M439 PolarHBondContact O-N 3.22Å; H437-K440 PolarHBondContact O-N 3.36Å; H437-D443 IonicContact CE1-OD2 3.56Å; H437-D443 PolarHBondContact CE1-OD2 3.37Å; H437-D443 IonicContact NE2-OD2 2.59Å
438	L	82.7	Confident	77.6	Confident	19 Å²	19	65 Å²	65	10%	0.099	34%	0.34	C	S	.	.	H	α-helix	trans	-61.4	-24.4	175.1	-73	177.5	0	0	0	114.7	Q284 S287 I433 D434 W435	Q284-L438 HydrophobicContact CG-CD2 3.93Å; S287-L438 PolarHBondContact OG-O 3.17Å; I433-L438 HydrophobicContact CG2-CD1 3.44Å; I433-L438 VanDerWaalsContact CG2-CD1 3.44Å; I433-L438 HydrophobicContact CG2-CG 4.39Å; D434-L438 PolarHBondContact O-N 2.83Å; D434-L438 VanDerWaalsContact O-N 3.1Å; W435-L438 HydrophobicContact CE3-CD1 3.95Å; W435-L438 HydrophobicContact CZ3-CD1 4.06Å
439	M	72.2	Confident	77.2	Confident	90 Å²	90	62.5 Å²	62.5	44%	0.443	32%	0.323	S	S	.	.	H	α-helix	trans	-93.5	-24.2	177.7	-69.5	176.7	72.4	0	0	113.1	W435 Q436 H437 H441	W435-M439 VanDerWaalsContact O-CG 3.29Å; W435-M439 WeakPolarHBondContact O-CG 3.39Å; W435-M439 PolarHBondContact O-N 3.28Å; Q436-M439 PolarHBondContact O-N 3.28Å; H437-M439 PolarHBondContact O-N 3.22Å; M439-H441 PolarHBondContact O-N 2.72Å
440	K	64.4	Low	76.8	Confident	95 Å²	95	65.4 Å²	65.4	41%	0.413	34%	0.339	S	S	.	.			trans	-74.8	115.2	179.8	-77.5	161.9	-171.8	162.3	0	109.8	Q436 H437 T442	Q436-K440 WeakPolarHBondContact O-CB 3.34Å; Q436-K440 WeakPolarHBondContact O-CD 3.25Å; Q436-K440 WeakPolarHBondContact O-CG 3.27Å; Q436-K440 PolarHBondContact O-N 3.02Å; H437-K440 PolarHBondContact O-N 3.36Å; K440-T442 HydrophobicContact CB-CG2 4.48Å; K440-T442 WeakPolarHBondContact CB-OG1 3.36Å; K440-T442 PolarHBondContact O-N 2.83Å
441	H	53.5	Low	76.5	Confident	100 Å²	100	67.7 Å²	67.7	46%	0.463	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	13	168.9	-61.7	-83.7	0	0	0	115	H234 M439	H234-H441 AromaticContact CE1-CE1 3.78Å; H234-H441 AromaticContact CE1-ND1 3.67Å; H234-H441 AromaticContact ND1-CE1 3.88Å; H234-H441 AromaticContact NE2-CE1 3.93Å; H234-H441 AromaticContact NE2-ND1 3.74Å; H234-H441 PolarHBondContact O-CE1 2.59Å; H234-H441 VanDerWaalsContact O-CE1 3.29Å; M439-H441 PolarHBondContact O-N 2.72Å
442	T	45.2	Very low	76.5	Confident	104 Å²	104	64.6 Å²	64.6	64%	0.638	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-29.3	-172.7	53.5	0	0	0	0	113.5	K440 P444	K440-T442 HydrophobicContact CB-CG2 4.48Å; K440-T442 WeakPolarHBondContact CB-OG1 3.36Å; K440-T442 PolarHBondContact O-N 2.83Å; T442-P444 WeakPolarHBondContact O-CD 3.35Å
443	D	45.6	Very low	76.6	Confident	87 Å²	87	60.8 Å²	60.8	47%	0.465	33%	0.326	S	S	.	.	S	Bend	trans	-86.9	99.6	159.4	-98.9	18.3	0	0	0	106.7	H437	H437-D443 IonicContact CE1-OD2 3.56Å; H437-D443 PolarHBondContact CE1-OD2 3.37Å; H437-D443 IonicContact NE2-OD2 2.59Å
444	P	48.5	Very low	76.7	Confident	53 Å²	53	59.4 Å²	59.4	34%	0.344	32%	0.319	S	S	.	.			trans	-55.3	150.4	170.3	26.3	-36.3	0	0	0	109	T442 E448	T442-P444 WeakPolarHBondContact O-CD 3.35Å; P444-E448 HydrophobicContact CB-CB 3.42Å; P444-E448 VanDerWaalsContact CB-CB 3.42Å; P444-E448 HydrophobicContact CB-CG 3.94Å
445	T	62.9	Low	76.9	Confident	1 Å²	1	57.8 Å²	57.8	1%	0.006	31%	0.306	C	S	.	.			trans	-51.6	151.6	157.9	82.6	0	0	0	0	108.3	D447 E448	T445-D447 PolarHBondContact O-N 3.11Å; T445-E448 HydrophobicContact CG2-CG 4.25Å; T445-E448 PolarHBondContact N-OE2 3.23Å; T445-E448 VanDerWaalsContact N-OE2 3.08Å; T445-E448 WeakPolarHBondContact O-CG 3.36Å; T445-E448 PolarHBondContact O-N 3.36Å; T445-E448 WeakPolarHBondContact OG1-CG 3.33Å
446	P	65.6	Low	77.2	Confident	64 Å²	64	62 Å²	62	42%	0.416	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-3.5	-163.1	-30.8	37.2	0	0	0	118.2	L493	P446-L493 WeakPolarHBondContact O-CD2 3.45Å
447	D	81.1	Confident	77.7	Confident	67 Å²	67	56.1 Å²	56.1	36%	0.358	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.4	-4.2	178.1	-47.9	-51.1	0	0	0	114.7	T445 S490 K491 G492 L493	T445-D447 PolarHBondContact O-N 3.11Å; D447-S490 CarbonylContact C-O 3.53Å; D447-K491 HydrophobicContact CB-CD 3.73Å; D447-K491 CarbonylContact O-C 3.5Å; D447-K491 WeakPolarHBondContact O-CA 3.21Å; D447-K491 WeakPolarHBondContact OD2-CD 3.42Å; D447-K491 IonicContact OD2-NZ 3.47Å; D447-K491 PolarHBondContact OD2-NZ 2.91Å; D447-G492 PolarHBondContact O-N 3.32Å; D447-L493 VanDerWaalsContact O-CB 3.32Å; D447-L493 WeakPolarHBondContact O-CB 3.3Å; D447-L493 PolarHBondContact O-N 2.82Å
448	E	85.6	Confident	78.4	Confident	19 Å²	19	52.3 Å²	52.3	9%	0.089	28%	0.278	C	S	.	.			trans	-84.9	159.8	-174.8	-30.1	-167.9	101.4	0	0	113.6	P444 T445 R489 S490	P444-E448 HydrophobicContact CB-CB 3.42Å; P444-E448 VanDerWaalsContact CB-CB 3.42Å; P444-E448 HydrophobicContact CB-CG 3.94Å; T445-E448 HydrophobicContact CG2-CG 4.25Å; T445-E448 PolarHBondContact N-OE2 3.23Å; T445-E448 VanDerWaalsContact N-OE2 3.08Å; T445-E448 WeakPolarHBondContact O-CG 3.36Å; T445-E448 PolarHBondContact O-N 3.36Å; T445-E448 WeakPolarHBondContact OG1-CG 3.33Å; E448-R489 CarbonylContact C-O 3.21Å; E448-R489 WeakPolarHBondContact CA-O 3.48Å; E448-R489 WeakPolarHBondContact CB-O 3.31Å; E448-S490 WeakPolarHBondContact OE1-CA 3.39Å; E448-S490 WeakPolarHBondContact OE1-CB 3.46Å; E448-S490 PolarHBondContact OE1-OG 3.29Å
449	I	89.6	Confident	79	Confident	5 Å²	5	55.8 Å²	55.8	3%	0.026	29%	0.292	C	S	.	.			trans	-134.5	151.2	179.7	64.2	178.3	0	0	0	110.1	A454 L457 L488 R489 G492 L493 K496	I449-A454 HydrophobicContact CD1-CB 4.1Å; I449-A454 HydrophobicContact CG1-CB 4.36Å; I449-L457 HydrophobicContact CD1-CD1 3.73Å; I449-L488 WeakPolarHBondContact CD1-O 3.32Å; I449-L488 WeakPolarHBondContact CG1-O 3.4Å; I449-R489 PolarHBondContact N-O 2.9Å; I449-R489 WeakPolarHBondContact O-CD 3.27Å; I449-R489 PolarHBondContact O-NH1 3.06Å; I449-G492 VanDerWaalsContact CG2-C 3.44Å; I449-L493 VanDerWaalsContact CG2-CA 3.45Å; I449-L493 HydrophobicContact CG2-CB 4.14Å; I449-L493 HydrophobicContact CG2-CD1 4.25Å; I449-K496 HydrophobicContact CB-CD 4.27Å; I449-K496 HydrophobicContact CG2-CB 3.74Å; I449-K496 HydrophobicContact CG2-CD 3.92Å; I449-K496 HydrophobicContact CG2-CG 4.46Å
450	D	90	Very high	80.1	Confident	64 Å²	64	56.4 Å²	56.4	34%	0.342	29%	0.292	S	S	.	.			trans	-61.1	165	174.6	53.9	83.9	0	0	0	113.8	S453 A454 K496	D450-S453 PolarHBondContact O-N 3.42Å; D450-S453 WeakPolarHBondContact OD1-CB 3.44Å; D450-S453 PolarHBondContact OD1-N 3.09Å; D450-S453 PolarHBondContact OD1-OG 2.86Å; D450-S453 PolarHBondContact OD2-OG 3.28Å; D450-A454 PolarHBondContact O-N 3.14Å; D450-K496 IonicContact OD2-NZ 2.99Å; D450-K496 PolarHBondContact OD2-NZ 3.2Å
451	D	91.8	Very high	81.5	Confident	51 Å²	51	53.3 Å²	53.3	27%	0.273	28%	0.278	S	S	.	.	H	α-helix	trans	-60.9	-44.8	-178.4	-176.4	62.2	0	0	0	112.7	S453 A454 R455 Y485	D451-S453 VanDerWaalsContact C-N 3.32Å; D451-S453 PolarHBondContact O-N 3.39Å; D451-A454 PolarHBondContact O-N 3.45Å; D451-A454 VanDerWaalsContact O-N 3.13Å; D451-R455 WeakPolarHBondContact O-CG 3.39Å; D451-R455 PolarHBondContact O-N 3Å; D451-R455 IonicContact OD1-NE 3.78Å; D451-R455 WeakPolarHBondContact OD2-CD 3.49Å; D451-R455 IonicContact OD2-CZ 3.51Å; D451-R455 IonicContact OD2-NE 3.59Å; D451-R455 PolarHBondContact OD2-NE 3.09Å; D451-R455 IonicContact OD2-NH2 2.87Å; D451-Y485 VanDerWaalsContact OD1-CE2 3.25Å; D451-Y485 WeakPolarHBondContact OD1-CE2 3.44Å; D451-Y485 VanDerWaalsContact OD1-CZ 3.26Å; D451-Y485 PolarHBondContact OD1-OH 3.24Å
452	A	93.9	Very high	83.5	Confident	70 Å²	70	49.2 Å²	49.2	58%	0.579	26%	0.258	S	S	*	.	H	α-helix	trans	-59.9	-41.8	178.7	0	0	0	0	0	111.9	R455 Y456	A452-R455 PolarHBondContact O-N 3.33Å; A452-Y456 VanDerWaalsContact O-CB 3.32Å; A452-Y456 WeakPolarHBondContact O-CB 3.26Å; A452-Y456 PolarHBondContact O-N 2.71Å
453	S	94.2	Very high	85.8	Confident	20 Å²	20	48.5 Å²	48.5	14%	0.14	25%	0.251	C	S	.	.	H	α-helix	trans	-63.5	-42.8	174.4	-62.2	0	0	0	0	112	D450 D451 Y456 L457 K496	D450-S453 PolarHBondContact O-N 3.42Å; D450-S453 WeakPolarHBondContact OD1-CB 3.44Å; D450-S453 PolarHBondContact OD1-N 3.09Å; D450-S453 PolarHBondContact OD1-OG 2.86Å; D450-S453 PolarHBondContact OD2-OG 3.28Å; D451-S453 VanDerWaalsContact C-N 3.32Å; D451-S453 PolarHBondContact O-N 3.39Å; S453-Y456 PolarHBondContact O-N 3.36Å; S453-L457 WeakPolarHBondContact O-CG 3.23Å; S453-L457 PolarHBondContact O-N 2.91Å; S453-K496 WeakPolarHBondContact OG-CE 3Å; S453-K496 PolarHBondContact OG-NZ 3.37Å
454	A	95	Very high	88.2	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-64.8	-44	177	0	0	0	0	0	112	I449 D450 D451 L457 L458 Y485 R489	I449-A454 HydrophobicContact CD1-CB 4.1Å; I449-A454 HydrophobicContact CG1-CB 4.36Å; D450-A454 PolarHBondContact O-N 3.14Å; D451-A454 PolarHBondContact O-N 3.45Å; D451-A454 VanDerWaalsContact O-N 3.13Å; A454-L457 PolarHBondContact O-N 3.43Å; A454-L458 WeakPolarHBondContact O-CG 2.91Å; A454-L458 PolarHBondContact O-N 3.18Å; A454-L458 VanDerWaalsContact O-N 3.12Å; A454-Y485 HydrophobicContact CB-CD2 4.08Å; A454-Y485 HydrophobicContact CB-CE2 3.91Å; A454-R489 HydrophobicContact CB-CG 3.98Å
455	R	96.2	Very high	90.3	Very high	57 Å²	57	45.6 Å²	45.6	22%	0.215	23%	0.232	C	C	.	.	H	α-helix	trans	-60.4	-44.8	173.8	-70.6	-176	-173.5	-100	-5.8	111.9	D451 A452 L457 L458 K459 L469 D470	D451-R455 WeakPolarHBondContact O-CG 3.39Å; D451-R455 PolarHBondContact O-N 3Å; D451-R455 IonicContact OD1-NE 3.78Å; D451-R455 WeakPolarHBondContact OD2-CD 3.49Å; D451-R455 IonicContact OD2-CZ 3.51Å; D451-R455 IonicContact OD2-NE 3.59Å; D451-R455 PolarHBondContact OD2-NE 3.09Å; D451-R455 IonicContact OD2-NH2 2.87Å; A452-R455 PolarHBondContact O-N 3.33Å; R455-L457 PolarHBondContact O-N 3.39Å; R455-L458 PolarHBondContact O-N 2.85Å; R455-K459 WeakPolarHBondContact O-CB 3.5Å; R455-K459 PolarHBondContact O-N 3.42Å; R455-L469 HydrophobicContact CG-CD2 3.73Å; R455-D470 IonicContact CZ-OD1 2.94Å; R455-D470 VanDerWaalsContact CZ-OD1 3.23Å; R455-D470 IonicContact NH1-OD1 2.75Å; R455-D470 PolarHBondContact NH1-OD1 2.99Å; R455-D470 IonicContact NH1-OD2 3.62Å; R455-D470 PolarHBondContact NH1-OD2 2.69Å; R455-D470 IonicContact NH2-OD1 2.84Å; R455-D470 PolarHBondContact NH2-OD1 3.44Å
456	Y	96.1	Very high	91.8	Very high	130 Å²	130	48.7 Å²	48.7	51%	0.51	25%	0.254	S	S	.	.	H	α-helix	trans	-58.8	-44.5	176.5	170.2	-104	0	0	0	112.5	A452 S453 K459 K460 P499	A452-Y456 VanDerWaalsContact O-CB 3.32Å; A452-Y456 WeakPolarHBondContact O-CB 3.26Å; A452-Y456 PolarHBondContact O-N 2.71Å; S453-Y456 PolarHBondContact O-N 3.36Å; Y456-K459 PolarHBondContact O-N 3.02Å; Y456-K460 HydrophobicContact CE1-CD 4.14Å; Y456-K460 WeakPolarHBondContact O-CB 3.46Å; Y456-K460 PolarHBondContact O-N 2.98Å; Y456-P499 HydrophobicContact CE1-CB 4.17Å
457	L	96.3	Very high	93.2	Very high	2 Å²	2	54.1 Å²	54.1	1%	0.01	27%	0.268	C	S	.	.	H	α-helix	trans	-63.8	-44	177.4	-68.6	174.8	0	0	0	112.1	I449 S453 A454 R455 K460 W461 L488 P499	I449-L457 HydrophobicContact CD1-CD1 3.73Å; S453-L457 WeakPolarHBondContact O-CG 3.23Å; S453-L457 PolarHBondContact O-N 2.91Å; A454-L457 PolarHBondContact O-N 3.43Å; R455-L457 PolarHBondContact O-N 3.39Å; L457-K460 PolarHBondContact O-N 3.12Å; L457-W461 HydrophobicContact CB-CD2 4.46Å; L457-W461 HydrophobicContact CB-CE3 4.29Å; L457-W461 HydrophobicContact CB-CH2 4.31Å; L457-W461 HydrophobicContact CB-CZ2 4.46Å; L457-W461 HydrophobicContact CB-CZ3 4.22Å; L457-W461 HydrophobicContact CD1-CH2 4.24Å; L457-W461 HydrophobicContact CD2-CH2 4.25Å; L457-W461 HydrophobicContact CD2-CZ2 3.79Å; L457-W461 HydrophobicContact CG-CZ2 4.5Å; L457-W461 WeakPolarHBondContact O-CB 3.4Å; L457-W461 VanDerWaalsContact O-CG 3.26Å; L457-W461 PolarHBondContact O-N 2.82Å; L457-L488 HydrophobicContact CB-CD1 4.48Å; L457-L488 HydrophobicContact CD1-CD2 4.49Å; L457-P499 HydrophobicContact CD2-CB 3.71Å
458	L	96.5	Very high	93.8	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-62	-46	177.3	-70.3	172.7	0	0	0	111.9	A454 R455 W461 W462 V464 L469 L481 I484 Y485 L488	A454-L458 WeakPolarHBondContact O-CG 2.91Å; A454-L458 PolarHBondContact O-N 3.18Å; A454-L458 VanDerWaalsContact O-N 3.12Å; R455-L458 PolarHBondContact O-N 2.85Å; L458-W461 PolarHBondContact O-N 3.32Å; L458-W462 HydrophobicContact CD2-CE3 3.95Å; L458-W462 HydrophobicContact CD2-CZ3 3.93Å; L458-W462 PolarHBondContact O-N 2.79Å; L458-V464 HydrophobicContact CB-CB 4.13Å; L458-V464 HydrophobicContact CB-CG1 4.35Å; L458-L469 HydrophobicContact CD1-CD1 4.03Å; L458-L469 HydrophobicContact CD1-CD2 4.02Å; L458-L481 HydrophobicContact CD1-CD1 4.33Å; L458-L481 HydrophobicContact CD2-CD1 4.01Å; L458-I484 HydrophobicContact CD2-CG2 3.85Å; L458-Y485 HydrophobicContact CD1-CD2 4.05Å; L458-L488 HydrophobicContact CD2-CD1 3.8Å; L458-L488 HydrophobicContact CG-CD1 4.07Å
459	K	95.9	Very high	94.3	Very high	91 Å²	91	51.3 Å²	51.3	40%	0.396	25%	0.252	S	S	.	.	H	α-helix	trans	-61.9	-44.7	175.4	-172.6	59.5	173.3	167.5	0	111.5	R455 Y456 W461 D463 V464	R455-K459 WeakPolarHBondContact O-CB 3.5Å; R455-K459 PolarHBondContact O-N 3.42Å; Y456-K459 PolarHBondContact O-N 3.02Å; K459-W461 PolarHBondContact O-N 2.59Å; K459-D463 WeakPolarHBondContact CD-O 3.15Å; K459-D463 VanDerWaalsContact CE-OD1 3.28Å; K459-D463 WeakPolarHBondContact CE-OD1 3.37Å; K459-D463 PolarHBondContact NZ-O 2.88Å; K459-D463 IonicContact NZ-OD1 2.75Å; K459-D463 PolarHBondContact NZ-OD1 3.28Å; K459-D463 WeakPolarHBondContact O-CA 3.27Å; K459-D463 PolarHBondContact O-N 3.33Å; K459-V464 WeakPolarHBondContact CA-O 3.39Å; K459-V464 WeakPolarHBondContact CB-O 3.42Å; K459-V464 VanDerWaalsContact CD-O 3.25Å; K459-V464 WeakPolarHBondContact CD-O 3.35Å
460	K	94.7	Very high	94.6	Very high	104 Å²	104	54.4 Å²	54.4	45%	0.452	27%	0.269	S	S	.	.	H	α-helix	trans	-65.3	-37.7	-179.1	-176.5	175.9	-175.6	178.2	0	113.5	Y456 L457 P499	Y456-K460 HydrophobicContact CE1-CD 4.14Å; Y456-K460 WeakPolarHBondContact O-CB 3.46Å; Y456-K460 PolarHBondContact O-N 2.98Å; L457-K460 PolarHBondContact O-N 3.12Å; K460-P499 HydrophobicContact CD-CB 4.25Å; K460-P499 WeakPolarHBondContact CE-O 3.28Å; K460-P499 PolarHBondContact NZ-O 3.43Å
461	W	94.3	Very high	94.8	Very high	30 Å²	30	56.2 Å²	56.2	11%	0.114	27%	0.274	C	S	.	.	H	α-helix	trans	-91.7	-34.7	-172.5	-64.9	-19.8	0	0	0	114.2	V201 L457 L458 K459 L488 Y495 P499 T500 L501	V201-W461 HydrophobicContact CG1-CZ3 4.02Å; L457-W461 HydrophobicContact CB-CD2 4.46Å; L457-W461 HydrophobicContact CB-CE3 4.29Å; L457-W461 HydrophobicContact CB-CH2 4.31Å; L457-W461 HydrophobicContact CB-CZ2 4.46Å; L457-W461 HydrophobicContact CB-CZ3 4.22Å; L457-W461 HydrophobicContact CD1-CH2 4.24Å; L457-W461 HydrophobicContact CD2-CH2 4.25Å; L457-W461 HydrophobicContact CD2-CZ2 3.79Å; L457-W461 HydrophobicContact CG-CZ2 4.5Å; L457-W461 WeakPolarHBondContact O-CB 3.4Å; L457-W461 VanDerWaalsContact O-CG 3.26Å; L457-W461 PolarHBondContact O-N 2.82Å; L458-W461 PolarHBondContact O-N 3.32Å; K459-W461 PolarHBondContact O-N 2.59Å; W461-L488 HydrophobicContact CH2-CD2 4.11Å; W461-L488 HydrophobicContact CZ3-CD1 3.95Å; W461-L488 HydrophobicContact CZ3-CD2 3.81Å; W461-Y495 HydrophobicContact CH2-CD1 4.19Å; W461-Y495 AromaticContact CH2-CD2 3.78Å; W461-Y495 HydrophobicContact CH2-CD2 3.78Å; W461-Y495 HydrophobicContact CH2-CE2 4.45Å; W461-Y495 AromaticContact CH2-CG 3.63Å; W461-Y495 HydrophobicContact CH2-CG 3.63Å; W461-Y495 HydrophobicContact CZ2-CD1 4.29Å; W461-Y495 HydrophobicContact CZ2-CG 4.04Å; W461-P499 PolarHBondContact NE1-O 3.31Å; W461-P499 VanDerWaalsContact NE1-O 3.12Å; W461-T500 WeakPolarHBondContact CZ2-O 3.46Å; W461-L501 HydrophobicContact CB-CD1 4.01Å; W461-L501 HydrophobicContact CD2-CB 4.31Å; W461-L501 HydrophobicContact CD2-CD1 3.57Å; W461-L501 HydrophobicContact CE3-CD1 3.71Å; W461-L501 HydrophobicContact CG-CB 4.03Å; W461-L501 HydrophobicContact CG-CD1 3.74Å; W461-L501 HydrophobicContact CG-CG 4.39Å; W461-L501 HydrophobicContact CZ3-CD1 4.31Å
462	W	94.1	Very high	94.8	Very high	13 Å²	13	54 Å²	54	5%	0.049	26%	0.262	C	S	.	.	H	α-helix	trans	-136.9	15.6	-172.3	-58	-53.1	0	0	0	113.9	V152 L156 L200 V201 L458 V464 I484 L501	V152-W462 VanDerWaalsContact CB-O 3.24Å; V152-W462 WeakPolarHBondContact CB-O 3.43Å; V152-W462 WeakPolarHBondContact CG1-O 3.34Å; L156-W462 HydrophobicContact CD2-CD2 4.25Å; L156-W462 HydrophobicContact CD2-CG 4Å; L200-W462 HydrophobicContact CB-CH2 3.82Å; L200-W462 HydrophobicContact CB-CZ2 3.69Å; L200-W462 HydrophobicContact CD1-CH2 4.34Å; L200-W462 HydrophobicContact CD1-CZ2 4.15Å; L200-W462 HydrophobicContact CG-CZ2 4.38Å; V201-W462 HydrophobicContact CG1-CH2 3.8Å; V201-W462 HydrophobicContact CG1-CZ3 4.38Å; L458-W462 HydrophobicContact CD2-CE3 3.95Å; L458-W462 HydrophobicContact CD2-CZ3 3.93Å; L458-W462 PolarHBondContact O-N 2.79Å; W462-V464 HydrophobicContact CB-CG2 4.09Å; W462-V464 PolarHBondContact O-N 3.16Å; W462-I484 HydrophobicContact CH2-CG2 4.49Å; W462-I484 HydrophobicContact CZ3-CG2 3.9Å; W462-L501 HydrophobicContact CH2-CD1 3.81Å; W462-L501 HydrophobicContact CZ2-CD1 3.31Å; W462-L501 HydrophobicContact CZ2-CD2 4.28Å; W462-L501 HydrophobicContact CZ2-CG 4.45Å
463	D	94.2	Very high	94.7	Very high	89 Å²	89	52.3 Å²	52.3	48%	0.476	24%	0.244	S	C	.	.			trans	58.8	11.2	178.1	-158	30.9	0	0	0	115.5	V152 K459 D465	V152-D463 HydrophobicContact CB-CB 4Å; V152-D463 HydrophobicContact CG1-CB 4.15Å; V152-D463 HydrophobicContact CG2-CB 3.91Å; K459-D463 WeakPolarHBondContact CD-O 3.15Å; K459-D463 VanDerWaalsContact CE-OD1 3.28Å; K459-D463 WeakPolarHBondContact CE-OD1 3.37Å; K459-D463 PolarHBondContact NZ-O 2.88Å; K459-D463 IonicContact NZ-OD1 2.75Å; K459-D463 PolarHBondContact NZ-OD1 3.28Å; K459-D463 WeakPolarHBondContact O-CA 3.27Å; K459-D463 PolarHBondContact O-N 3.33Å; D463-D465 PolarHBondContact O-N 3.01Å; D463-D465 VanDerWaalsContact O-N 3.13Å
464	V	95.2	Very high	94.4	Very high	5 Å²	5	56.1 Å²	56.1	3%	0.03	27%	0.271	C	S	.	.			trans	-57.1	115.3	178.1	173.6	0	0	0	0	109.7	F153 L458 K459 W462 E468 L469 L481	F153-V464 HydrophobicContact CB-CG2 3.81Å; F153-V464 HydrophobicContact CG-CG2 4.32Å; L458-V464 HydrophobicContact CB-CB 4.13Å; L458-V464 HydrophobicContact CB-CG1 4.35Å; K459-V464 WeakPolarHBondContact CA-O 3.39Å; K459-V464 WeakPolarHBondContact CB-O 3.42Å; K459-V464 VanDerWaalsContact CD-O 3.25Å; K459-V464 WeakPolarHBondContact CD-O 3.35Å; W462-V464 HydrophobicContact CB-CG2 4.09Å; W462-V464 PolarHBondContact O-N 3.16Å; V464-E468 WeakPolarHBondContact CA-OE2 3.49Å; V464-E468 HydrophobicContact CG1-CB 4.32Å; V464-E468 HydrophobicContact CG1-CG 4.38Å; V464-L469 HydrophobicContact CG1-CB 4.11Å; V464-L481 HydrophobicContact CG1-CD1 4.17Å; V464-L481 HydrophobicContact CG1-CD2 3.7Å; V464-L481 HydrophobicContact CG2-CD1 4.09Å; V464-L481 HydrophobicContact CG2-CD2 4.4Å
465	D	93.5	Very high	94.1	Very high	74 Å²	74	61 Å²	61	40%	0.396	29%	0.293	S	S	.	.			trans	-84.6	172.4	174.3	67.6	52	0	0	0	112.3	D463 Y467 E468 L469	D463-D465 PolarHBondContact O-N 3.01Å; D463-D465 VanDerWaalsContact O-N 3.13Å; D465-Y467 VanDerWaalsContact C-N 3.3Å; D465-Y467 PolarHBondContact O-N 3Å; D465-Y467 WeakPolarHBondContact OD1-CA 3.43Å; D465-Y467 WeakPolarHBondContact OD1-CB 3.47Å; D465-Y467 PolarHBondContact OD1-N 3.01Å; D465-E468 PolarHBondContact O-N 3.44Å; D465-E468 PolarHBondContact OD1-N 3.32Å; D465-L469 PolarHBondContact O-N 3.1Å; D465-L469 VanDerWaalsContact O-N 3.15Å
466	S	94.3	Very high	93.5	Very high	67 Å²	67	58.8 Å²	58.8	47%	0.469	29%	0.288	S	S	.	.	H	α-helix	trans	-61.9	-36.6	-179.6	-62.2	0	0	0	0	112.5	L469 D470	S466-L469 PolarHBondContact O-N 3.25Å; S466-D470 VanDerWaalsContact O-CB 3.26Å; S466-D470 WeakPolarHBondContact O-CB 3.36Å; S466-D470 PolarHBondContact O-N 3.24Å
467	Y	94.3	Very high	92.9	Very high	177 Å²	177	53 Å²	53	69%	0.694	27%	0.267	S	S	*	.	H	α-helix	trans	-69.7	-42.7	-178.2	174.9	-97.3	0	0	0	111.5	D465 L469 D470 K471	D465-Y467 VanDerWaalsContact C-N 3.3Å; D465-Y467 PolarHBondContact O-N 3Å; D465-Y467 WeakPolarHBondContact OD1-CA 3.43Å; D465-Y467 WeakPolarHBondContact OD1-CB 3.47Å; D465-Y467 PolarHBondContact OD1-N 3.01Å; Y467-L469 VanDerWaalsContact C-N 3.33Å; Y467-L469 PolarHBondContact O-N 3.45Å; Y467-D470 PolarHBondContact O-N 2.95Å; Y467-K471 WeakPolarHBondContact O-CB 3.31Å; Y467-K471 PolarHBondContact O-N 3.02Å
468	E	95.1	Very high	92.5	Very high	25 Å²	25	58 Å²	58	12%	0.117	29%	0.288	C	S	.	.	H	α-helix	trans	-59.4	-44.1	173.5	-176.7	176.9	-161.3	0	0	111.4	T151 V464 D465 A472 L481	T151-E468 WeakPolarHBondContact CB-OE1 3.43Å; T151-E468 HydrophobicContact CG2-CG 4.47Å; T151-E468 WeakPolarHBondContact CG2-OE1 3.36Å; T151-E468 PolarHBondContact OG1-OE1 2.84Å; V464-E468 WeakPolarHBondContact CA-OE2 3.49Å; V464-E468 HydrophobicContact CG1-CB 4.32Å; V464-E468 HydrophobicContact CG1-CG 4.38Å; D465-E468 PolarHBondContact O-N 3.44Å; D465-E468 PolarHBondContact OD1-N 3.32Å; E468-A472 WeakPolarHBondContact O-CB 3.4Å; E468-A472 PolarHBondContact O-N 2.83Å; E468-L481 HydrophobicContact CG-CD2 3.9Å
469	L	95.8	Very high	92.2	Very high	2 Å²	2	59.4 Å²	59.4	1%	0.01	30%	0.296	C	S	.	.	H	α-helix	trans	-68.1	-47.8	177.3	178.5	62	0	0	0	112.6	R455 L458 V464 D465 S466 Y467 K471 A472 L473 L481 Y485	R455-L469 HydrophobicContact CG-CD2 3.73Å; L458-L469 HydrophobicContact CD1-CD1 4.03Å; L458-L469 HydrophobicContact CD1-CD2 4.02Å; V464-L469 HydrophobicContact CG1-CB 4.11Å; D465-L469 PolarHBondContact O-N 3.1Å; D465-L469 VanDerWaalsContact O-N 3.15Å; S466-L469 PolarHBondContact O-N 3.25Å; Y467-L469 VanDerWaalsContact C-N 3.33Å; Y467-L469 PolarHBondContact O-N 3.45Å; L469-K471 VanDerWaalsContact C-N 3.3Å; L469-K471 PolarHBondContact O-N 2.88Å; L469-A472 WeakPolarHBondContact O-CB 3.37Å; L469-A472 PolarHBondContact O-N 3.38Å; L469-A472 VanDerWaalsContact O-N 3.09Å; L469-L473 HydrophobicContact CD1-CD1 4.32Å; L469-L473 HydrophobicContact CD1-CG 4.15Å; L469-L473 HydrophobicContact CG-CD1 4.07Å; L469-L473 HydrophobicContact CG-CG 4.33Å; L469-L473 WeakPolarHBondContact O-CG 3.24Å; L469-L473 PolarHBondContact O-N 3.3Å; L469-L481 HydrophobicContact CD1-CD2 4.34Å; L469-L481 HydrophobicContact CD1-CG 4.02Å; L469-Y485 HydrophobicContact CD1-CD2 4.03Å; L469-Y485 HydrophobicContact CD1-CG 3.95Å; L469-Y485 HydrophobicContact CD2-CD2 3.79Å; L469-Y485 HydrophobicContact CD2-CE2 4.11Å; L469-Y485 HydrophobicContact CG-CD2 4.49Å
470	D	95.1	Very high	92	Very high	71 Å²	71	59.3 Å²	59.3	38%	0.38	30%	0.295	S	S	.	.	H	α-helix	trans	-66	-36.1	-177	-65.7	-29.7	0	0	0	110.8	R455 S466 Y467 L473 S474	R455-D470 IonicContact CZ-OD1 2.94Å; R455-D470 VanDerWaalsContact CZ-OD1 3.23Å; R455-D470 IonicContact NH1-OD1 2.75Å; R455-D470 PolarHBondContact NH1-OD1 2.99Å; R455-D470 IonicContact NH1-OD2 3.62Å; R455-D470 PolarHBondContact NH1-OD2 2.69Å; R455-D470 IonicContact NH2-OD1 2.84Å; R455-D470 PolarHBondContact NH2-OD1 3.44Å; S466-D470 VanDerWaalsContact O-CB 3.26Å; S466-D470 WeakPolarHBondContact O-CB 3.36Å; S466-D470 PolarHBondContact O-N 3.24Å; Y467-D470 PolarHBondContact O-N 2.95Å; D470-L473 PolarHBondContact O-N 3.32Å; D470-S474 PolarHBondContact O-N 3.47Å
471	K	94	Very high	92	Very high	102 Å²	102	54.5 Å²	54.5	44%	0.443	28%	0.275	S	S	.	.	H	α-helix	trans	-59.2	-51.4	167.6	-177.3	-172.9	173.9	-167.9	0	111.2	Y467 L469 L473 S474 E475	Y467-K471 WeakPolarHBondContact O-CB 3.31Å; Y467-K471 PolarHBondContact O-N 3.02Å; L469-K471 VanDerWaalsContact C-N 3.3Å; L469-K471 PolarHBondContact O-N 2.88Å; K471-L473 VanDerWaalsContact C-N 3.29Å; K471-L473 PolarHBondContact O-N 2.95Å; K471-S474 PolarHBondContact O-N 2.74Å; K471-S474 VanDerWaalsContact O-N 3.1Å; K471-S474 PolarHBondContact O-OG 3.2Å; K471-E475 VanDerWaalsContact CE-OE1 3.24Å; K471-E475 WeakPolarHBondContact CE-OE1 3.24Å; K471-E475 PolarHBondContact O-N 2.96Å
472	A	92.6	Very high	92	Very high	3 Å²	3	53 Å²	53	3%	0.025	27%	0.269	C	S	.	.	H	α-helix	trans	-59.3	-39.2	178.9	0	0	0	0	0	112.8	E468 L469 E475 G476 N479 L481 T482	E468-A472 WeakPolarHBondContact O-CB 3.4Å; E468-A472 PolarHBondContact O-N 2.83Å; L469-A472 WeakPolarHBondContact O-CB 3.37Å; L469-A472 PolarHBondContact O-N 3.38Å; L469-A472 VanDerWaalsContact O-N 3.09Å; A472-E475 PolarHBondContact O-N 3.17Å; A472-G476 PolarHBondContact O-N 3.35Å; A472-N479 HydrophobicContact CB-CB 4.41Å; A472-N479 WeakPolarHBondContact CB-ND2 3.38Å; A472-L481 HydrophobicContact CB-CB 3.85Å; A472-L481 HydrophobicContact CB-CD2 3.89Å; A472-L481 HydrophobicContact CB-CG 4.11Å; A472-T482 PolarHBondContact O-OG1 3.08Å
473	L	90.7	Very high	91.9	Very high	35 Å²	35	52.4 Å²	52.4	18%	0.183	27%	0.267	C	S	.	.	H	α-helix	trans	-63.5	-42.1	174.8	-68.8	174.7	0	0	0	111.2	L469 D470 K471 E475 G476 T482 Y485	L469-L473 HydrophobicContact CD1-CD1 4.32Å; L469-L473 HydrophobicContact CD1-CG 4.15Å; L469-L473 HydrophobicContact CG-CD1 4.07Å; L469-L473 HydrophobicContact CG-CG 4.33Å; L469-L473 WeakPolarHBondContact O-CG 3.24Å; L469-L473 PolarHBondContact O-N 3.3Å; D470-L473 PolarHBondContact O-N 3.32Å; K471-L473 VanDerWaalsContact C-N 3.29Å; K471-L473 PolarHBondContact O-N 2.95Å; L473-E475 VanDerWaalsContact C-N 3.27Å; L473-E475 PolarHBondContact O-N 3.05Å; L473-G476 WeakPolarHBondContact O-CA 3.36Å; L473-G476 PolarHBondContact O-N 3.25Å; L473-T482 WeakPolarHBondContact CA-OG1 3.39Å; L473-T482 HydrophobicContact CD2-CG2 3.98Å; L473-T482 PolarHBondContact N-OG1 2.94Å; L473-Y485 HydrophobicContact CD1-CE1 4.41Å; L473-Y485 HydrophobicContact CD2-CD1 3.68Å; L473-Y485 HydrophobicContact CD2-CE1 3.98Å; L473-Y485 HydrophobicContact CD2-CG 4.39Å
474	S	88.6	Confident	92	Very high	101 Å²	101	48.2 Å²	48.2	71%	0.706	24%	0.244	S	C	*	.	H	α-helix	trans	-64.8	-27.1	175.5	78.4	0	0	0	0	114	D470 K471 G476	D470-S474 PolarHBondContact O-N 3.47Å; K471-S474 PolarHBondContact O-N 2.74Å; K471-S474 VanDerWaalsContact O-N 3.1Å; K471-S474 PolarHBondContact O-OG 3.2Å; S474-G476 PolarHBondContact O-N 3Å
475	E	87.6	Confident	92	Very high	101 Å²	101	48.9 Å²	48.9	47%	0.472	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-8.2	171.2	-66.3	174.1	-168.9	0	0	112.9	K471 A472 L473 N479	K471-E475 VanDerWaalsContact CE-OE1 3.24Å; K471-E475 WeakPolarHBondContact CE-OE1 3.24Å; K471-E475 PolarHBondContact O-N 2.96Å; A472-E475 PolarHBondContact O-N 3.17Å; L473-E475 VanDerWaalsContact C-N 3.27Å; L473-E475 PolarHBondContact O-N 3.05Å; E475-N479 HydrophobicContact CB-CB 4.21Å; E475-N479 PolarHBondContact OE2-ND2 3.45Å
476	G	84.4	Confident	91.9	Very high	11 Å²	11	45.7 Å²	45.7	11%	0.113	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	73.1	-162.4	172.9	0	0	0	0	0	114.9	A472 L473 S474 K478 N479	A472-G476 PolarHBondContact O-N 3.35Å; L473-G476 WeakPolarHBondContact O-CA 3.36Å; L473-G476 PolarHBondContact O-N 3.25Å; S474-G476 PolarHBondContact O-N 3Å; G476-K478 PolarHBondContact O-N 2.77Å; G476-K478 VanDerWaalsContact O-N 3.09Å; G476-N479 PolarHBondContact O-N 3.35Å; G476-N479 VanDerWaalsContact O-N 3.12Å
477	P	84.6	Confident	91.9	Very high	10 Å²	10	42.5 Å²	42.5	7%	0.065	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-73.6	-0.5	-168.7	30.7	-37.9	0	0	0	115.2	L227 M230 E243 A244 N479	L227-P477 HydrophobicContact CD1-CB 4.4Å; L227-P477 HydrophobicContact CD1-CG 3.75Å; L227-P477 HydrophobicContact CD2-CG 4.09Å; L227-P477 HydrophobicContact CG-CG 3.57Å; M230-P477 HydrophobicContact CE-CB 3.57Å; M230-P477 HydrophobicContact CE-CG 3.97Å; E243-P477 CarbonylContact C-O 3.53Å; E243-P477 WeakPolarHBondContact CA-O 3.39Å; E243-P477 WeakPolarHBondContact CG-O 3.38Å; A244-P477 PolarHBondContact N-O 3.29Å; P477-N479 VanDerWaalsContact C-N 3.3Å
478	K	86.3	Confident	91.9	Very high	106 Å²	106	34.1 Å²	34.1	46%	0.461	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-80.6	-12.5	169.3	-66.2	-165.3	174.7	-169.3	0	112.4	L227 E246 G476	L227-K478 HydrophobicContact CD2-CD 4.34Å; L227-K478 HydrophobicContact CD2-CG 3.87Å; E246-K478 IonicContact OE2-NZ 2.72Å; E246-K478 PolarHBondContact OE2-NZ 2.9Å; G476-K478 PolarHBondContact O-N 2.77Å; G476-K478 VanDerWaalsContact O-N 3.09Å
479	N	90.5	Very high	91.7	Very high	31 Å²	31	35.9 Å²	35.9	17%	0.166	18%	0.179	C	C	.	.	S	Bend	trans	-86.1	131.9	177.1	-171.4	-52	0	0	0	111.5	A472 E475 G476 P477 L481 T482 G483	A472-N479 HydrophobicContact CB-CB 4.41Å; A472-N479 WeakPolarHBondContact CB-ND2 3.38Å; E475-N479 HydrophobicContact CB-CB 4.21Å; E475-N479 PolarHBondContact OE2-ND2 3.45Å; G476-N479 PolarHBondContact O-N 3.35Å; G476-N479 VanDerWaalsContact O-N 3.12Å; P477-N479 VanDerWaalsContact C-N 3.3Å; N479-L481 PolarHBondContact O-N 3.23Å; N479-L481 WeakPolarHBondContact OD1-CB 3.1Å; N479-L481 PolarHBondContact OD1-N 3.46Å; N479-T482 WeakPolarHBondContact O-CB 3.41Å; N479-T482 PolarHBondContact O-N 3.42Å; N479-G483 PolarHBondContact O-N 3.21Å; N479-G483 VanDerWaalsContact O-N 3.07Å
480	K	92.9	Very high	91.4	Very high	88 Å²	88	35.8 Å²	35.8	38%	0.383	18%	0.179	S	C	.	.	H	α-helix	trans	-65.2	-35.1	-178.8	-62.8	164.4	-166.5	136.1	0	113.5	F153 F178 E243 T482 G483 I484	F153-K480 HydrophobicContact CZ-CB 4.25Å; F178-K480 HydrophobicContact CD2-CB 4.36Å; F178-K480 HydrophobicContact CD2-CD 4.49Å; F178-K480 HydrophobicContact CE2-CB 4.02Å; F178-K480 HydrophobicContact CE2-CD 3.95Å; F178-K480 HydrophobicContact CE2-CG 4.36Å; E243-K480 WeakPolarHBondContact OE1-CA 3.36Å; E243-K480 VanDerWaalsContact OE1-CG 3.24Å; E243-K480 WeakPolarHBondContact OE1-CG 3.5Å; K480-T482 VanDerWaalsContact C-N 3.34Å; K480-G483 PolarHBondContact O-N 3.39Å; K480-I484 WeakPolarHBondContact O-CD1 3.32Å; K480-I484 VanDerWaalsContact O-CG1 3.27Å; K480-I484 WeakPolarHBondContact O-CG1 3.32Å; K480-I484 PolarHBondContact O-N 3.13Å
481	L	95	Very high	91.1	Very high	3 Å²	3	33.7 Å²	33.7	2%	0.016	17%	0.166	C	C	.	.	H	α-helix	trans	-68.6	-38.6	178	-177.7	58.1	0	0	0	110.3	F153 L458 V464 E468 L469 A472 N479 G483 I484 Y485	F153-L481 HydrophobicContact CD1-CB 4.26Å; F153-L481 HydrophobicContact CE1-CB 3.75Å; F153-L481 HydrophobicContact CE1-CD1 4.48Å; F153-L481 HydrophobicContact CE2-CD1 4.48Å; F153-L481 HydrophobicContact CZ-CB 4.15Å; F153-L481 HydrophobicContact CZ-CD1 4.44Å; L458-L481 HydrophobicContact CD1-CD1 4.33Å; L458-L481 HydrophobicContact CD2-CD1 4.01Å; V464-L481 HydrophobicContact CG1-CD1 4.17Å; V464-L481 HydrophobicContact CG1-CD2 3.7Å; V464-L481 HydrophobicContact CG2-CD1 4.09Å; V464-L481 HydrophobicContact CG2-CD2 4.4Å; E468-L481 HydrophobicContact CG-CD2 3.9Å; L469-L481 HydrophobicContact CD1-CD2 4.34Å; L469-L481 HydrophobicContact CD1-CG 4.02Å; A472-L481 HydrophobicContact CB-CB 3.85Å; A472-L481 HydrophobicContact CB-CD2 3.89Å; A472-L481 HydrophobicContact CB-CG 4.11Å; N479-L481 PolarHBondContact O-N 3.23Å; N479-L481 WeakPolarHBondContact OD1-CB 3.1Å; N479-L481 PolarHBondContact OD1-N 3.46Å; L481-G483 VanDerWaalsContact C-N 3.35Å; L481-I484 PolarHBondContact O-N 3Å; L481-Y485 VanDerWaalsContact O-CB 3.31Å; L481-Y485 WeakPolarHBondContact O-CB 3.43Å; L481-Y485 PolarHBondContact O-N 3.07Å
482	T	92.3	Very high	91	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-59.2	-44.5	169.5	-64.3	0	0	0	0	111.6	A472 L473 N479 K480 Y485 R486	A472-T482 PolarHBondContact O-OG1 3.08Å; L473-T482 WeakPolarHBondContact CA-OG1 3.39Å; L473-T482 HydrophobicContact CD2-CG2 3.98Å; L473-T482 PolarHBondContact N-OG1 2.94Å; N479-T482 WeakPolarHBondContact O-CB 3.41Å; N479-T482 PolarHBondContact O-N 3.42Å; K480-T482 VanDerWaalsContact C-N 3.34Å; T482-Y485 PolarHBondContact O-N 3.11Å; T482-R486 HydrophobicContact CG2-CG 4.35Å; T482-R486 WeakPolarHBondContact O-CB 3.5Å; T482-R486 VanDerWaalsContact O-CG 3.26Å; T482-R486 WeakPolarHBondContact O-CG 3.44Å; T482-R486 PolarHBondContact O-N 2.74Å
483	G	93.2	Very high	90.9	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-54.8	-52.2	172.3	0	0	0	0	0	113.1	N479 K480 L481 R486 I487	N479-G483 PolarHBondContact O-N 3.21Å; N479-G483 VanDerWaalsContact O-N 3.07Å; K480-G483 PolarHBondContact O-N 3.39Å; L481-G483 VanDerWaalsContact C-N 3.35Å; G483-R486 PolarHBondContact O-N 3.35Å; G483-I487 VanDerWaalsContact O-CG1 3.28Å; G483-I487 WeakPolarHBondContact O-CG1 3.28Å; G483-I487 PolarHBondContact O-N 2.96Å
484	I	95.5	Very high	90.9	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-62.3	-47.8	178.6	-63.7	158.6	0	0	0	111.2	F153 F178 H198 L200 V201 L458 W462 K480 L481 R486 I487 L488	F153-I484 HydrophobicContact CE2-CD1 3.42Å; F153-I484 VanDerWaalsContact CE2-CD1 3.42Å; F153-I484 HydrophobicContact CZ-CD1 3.52Å; F178-I484 HydrophobicContact CD2-CD1 4.27Å; F178-I484 HydrophobicContact CE2-CD1 4.17Å; H198-I484 WeakPolarHBondContact NE2-CG1 3.4Å; L200-I484 HydrophobicContact CD1-CD1 3.8Å; V201-I484 HydrophobicContact CG1-CG2 4.07Å; L458-I484 HydrophobicContact CD2-CG2 3.85Å; W462-I484 HydrophobicContact CH2-CG2 4.49Å; W462-I484 HydrophobicContact CZ3-CG2 3.9Å; K480-I484 WeakPolarHBondContact O-CD1 3.32Å; K480-I484 VanDerWaalsContact O-CG1 3.27Å; K480-I484 WeakPolarHBondContact O-CG1 3.32Å; K480-I484 PolarHBondContact O-N 3.13Å; L481-I484 PolarHBondContact O-N 3Å; I484-R486 PolarHBondContact O-N 2.89Å; I484-I487 PolarHBondContact O-N 3.23Å; I484-L488 HydrophobicContact CG2-CD1 4Å; I484-L488 HydrophobicContact CG2-CG 4.37Å; I484-L488 WeakPolarHBondContact O-CB 3.23Å; I484-L488 WeakPolarHBondContact O-CG 3.33Å; I484-L488 PolarHBondContact O-N 3.15Å
485	Y	94.8	Very high	91.1	Very high	20 Å²	20	30.6 Å²	30.6	8%	0.078	14%	0.141	C	C	.	.	H	α-helix	trans	-57.7	-47.2	178.3	165.9	-94.1	0	0	0	111.3	D451 A454 L458 L469 L473 L481 T482 I487 L488 R489	D451-Y485 VanDerWaalsContact OD1-CE2 3.25Å; D451-Y485 WeakPolarHBondContact OD1-CE2 3.44Å; D451-Y485 VanDerWaalsContact OD1-CZ 3.26Å; D451-Y485 PolarHBondContact OD1-OH 3.24Å; A454-Y485 HydrophobicContact CB-CD2 4.08Å; A454-Y485 HydrophobicContact CB-CE2 3.91Å; L458-Y485 HydrophobicContact CD1-CD2 4.05Å; L469-Y485 HydrophobicContact CD1-CD2 4.03Å; L469-Y485 HydrophobicContact CD1-CG 3.95Å; L469-Y485 HydrophobicContact CD2-CD2 3.79Å; L469-Y485 HydrophobicContact CD2-CE2 4.11Å; L469-Y485 HydrophobicContact CG-CD2 4.49Å; L473-Y485 HydrophobicContact CD1-CE1 4.41Å; L473-Y485 HydrophobicContact CD2-CD1 3.68Å; L473-Y485 HydrophobicContact CD2-CE1 3.98Å; L473-Y485 HydrophobicContact CD2-CG 4.39Å; L481-Y485 VanDerWaalsContact O-CB 3.31Å; L481-Y485 WeakPolarHBondContact O-CB 3.43Å; L481-Y485 PolarHBondContact O-N 3.07Å; T482-Y485 PolarHBondContact O-N 3.11Å; Y485-I487 VanDerWaalsContact C-N 3.35Å; Y485-I487 PolarHBondContact O-N 2.93Å; Y485-L488 PolarHBondContact O-N 2.75Å; Y485-R489 HydrophobicContact CD1-CG 4.28Å; Y485-R489 HydrophobicContact CD2-CG 4.28Å; Y485-R489 HydrophobicContact CE1-CG 3.76Å; Y485-R489 HydrophobicContact CE2-CG 3.78Å; Y485-R489 VanDerWaalsContact CZ-CG 3.48Å; Y485-R489 WeakPolarHBondContact O-CG 3.37Å; Y485-R489 PolarHBondContact O-N 3.46Å; Y485-R489 PolarHBondContact OH-NE 3.23Å
486	R	92.5	Very high	91.2	Very high	7 Å²	7	30.7 Å²	30.7	3%	0.026	14%	0.14	C	C	.	.	H	α-helix	trans	-68.4	-32.8	-179.6	-67.4	178.7	-175	-176.5	13.6	112.6	E231 A241 Y242 T482 G483 I484 S490	E231-R486 VanDerWaalsContact CD-NH2 3.27Å; E231-R486 IonicContact OE1-CZ 3.49Å; E231-R486 IonicContact OE1-NE 3.99Å; E231-R486 IonicContact OE1-NH2 2.81Å; E231-R486 PolarHBondContact OE1-NH2 3.46Å; A241-R486 PolarHBondContact O-NH1 3.4Å; Y242-R486 HydrophobicContact CD1-CB 3.88Å; Y242-R486 WeakPolarHBondContact CE1-O 3.44Å; Y242-R486 WeakPolarHBondContact O-CD 3.41Å; T482-R486 HydrophobicContact CG2-CG 4.35Å; T482-R486 WeakPolarHBondContact O-CB 3.5Å; T482-R486 VanDerWaalsContact O-CG 3.26Å; T482-R486 WeakPolarHBondContact O-CG 3.44Å; T482-R486 PolarHBondContact O-N 2.74Å; G483-R486 PolarHBondContact O-N 3.35Å; I484-R486 PolarHBondContact O-N 2.89Å; R486-S490 PolarHBondContact O-N 3.43Å
487	I	93.9	Very high	91.4	Very high	0 Å²	0	38 Å²	38	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-65.7	-46.6	171	-72.1	166.1	0	0	0	110.3	Y179 H198 V201 I203 V205 Y242 G483 I484 Y485 S490 K491	Y179-I487 HydrophobicContact CE1-CD1 3.86Å; Y179-I487 WeakPolarHBondContact OH-CD1 3.43Å; H198-I487 HydrophobicContact CB-CD1 4.49Å; V201-I487 HydrophobicContact CG2-CG2 3.85Å; I203-I487 HydrophobicContact CB-CG2 4.02Å; I203-I487 HydrophobicContact CD1-CG2 3.63Å; I203-I487 HydrophobicContact CG1-CG2 4.43Å; I203-I487 HydrophobicContact CG2-CG2 3.89Å; V205-I487 HydrophobicContact CG1-CD1 4.09Å; V205-I487 HydrophobicContact CG1-CG1 4.41Å; Y242-I487 HydrophobicContact CD1-CG1 3.81Å; Y242-I487 HydrophobicContact CD2-CD1 4.16Å; Y242-I487 HydrophobicContact CD2-CG1 3.48Å; Y242-I487 VanDerWaalsContact CD2-CG1 3.48Å; Y242-I487 HydrophobicContact CE1-CG1 4.16Å; Y242-I487 HydrophobicContact CE2-CG1 3.85Å; Y242-I487 HydrophobicContact CG-CD1 4.3Å; Y242-I487 HydrophobicContact CG-CG1 3.46Å; Y242-I487 VanDerWaalsContact CG-CG1 3.46Å; G483-I487 VanDerWaalsContact O-CG1 3.28Å; G483-I487 WeakPolarHBondContact O-CG1 3.28Å; G483-I487 PolarHBondContact O-N 2.96Å; I484-I487 PolarHBondContact O-N 3.23Å; Y485-I487 VanDerWaalsContact C-N 3.35Å; Y485-I487 PolarHBondContact O-N 2.93Å; I487-S490 PolarHBondContact O-N 3.23Å; I487-K491 PolarHBondContact O-N 2.76Å
488	L	94.3	Very high	91.7	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-63.9	-42.4	178.2	-74	176.3	0	0	0	111.9	V201 I449 L457 L458 W461 I484 Y485 S490 G492 Y495	V201-L488 HydrophobicContact CB-CD2 4.32Å; V201-L488 HydrophobicContact CG1-CD1 4.43Å; V201-L488 HydrophobicContact CG1-CD2 3.88Å; V201-L488 HydrophobicContact CG1-CG 4.2Å; I449-L488 WeakPolarHBondContact CD1-O 3.32Å; I449-L488 WeakPolarHBondContact CG1-O 3.4Å; L457-L488 HydrophobicContact CB-CD1 4.48Å; L457-L488 HydrophobicContact CD1-CD2 4.49Å; L458-L488 HydrophobicContact CD2-CD1 3.8Å; L458-L488 HydrophobicContact CG-CD1 4.07Å; W461-L488 HydrophobicContact CH2-CD2 4.11Å; W461-L488 HydrophobicContact CZ3-CD1 3.95Å; W461-L488 HydrophobicContact CZ3-CD2 3.81Å; I484-L488 HydrophobicContact CG2-CD1 4Å; I484-L488 HydrophobicContact CG2-CG 4.37Å; I484-L488 WeakPolarHBondContact O-CB 3.23Å; I484-L488 WeakPolarHBondContact O-CG 3.33Å; I484-L488 PolarHBondContact O-N 3.15Å; Y485-L488 PolarHBondContact O-N 2.75Å; L488-S490 VanDerWaalsContact C-N 3.32Å; L488-S490 PolarHBondContact O-N 3.43Å; L488-G492 WeakPolarHBondContact O-CA 3.28Å; L488-G492 PolarHBondContact O-N 3.4Å; L488-Y495 HydrophobicContact CD2-CD2 3.88Å; L488-Y495 HydrophobicContact CD2-CE2 4.42Å
489	R	91.1	Very high	91.9	Very high	62 Å²	62	38.4 Å²	38.4	23%	0.234	18%	0.178	C	C	.	.	H	α-helix	trans	-52.1	-50.7	173.3	-76	-76	-89.5	123.6	-0.4	110.5	E448 I449 A454 Y485	E448-R489 CarbonylContact C-O 3.21Å; E448-R489 WeakPolarHBondContact CA-O 3.48Å; E448-R489 WeakPolarHBondContact CB-O 3.31Å; I449-R489 PolarHBondContact N-O 2.9Å; I449-R489 WeakPolarHBondContact O-CD 3.27Å; I449-R489 PolarHBondContact O-NH1 3.06Å; A454-R489 HydrophobicContact CB-CG 3.98Å; Y485-R489 HydrophobicContact CD1-CG 4.28Å; Y485-R489 HydrophobicContact CD2-CG 4.28Å; Y485-R489 HydrophobicContact CE1-CG 3.76Å; Y485-R489 HydrophobicContact CE2-CG 3.78Å; Y485-R489 VanDerWaalsContact CZ-CG 3.48Å; Y485-R489 WeakPolarHBondContact O-CG 3.37Å; Y485-R489 PolarHBondContact O-N 3.46Å; Y485-R489 PolarHBondContact OH-NE 3.23Å
490	S	89.1	Confident	91.8	Very high	1 Å²	1	41 Å²	41	1%	0.007	19%	0.194	C	C	.	.	H	α-helix	trans	-92.3	-11.4	-173.1	-65.8	0	0	0	0	117.7	R240 D447 E448 R486 I487 L488	R240-S490 WeakPolarHBondContact CD-OG 3.26Å; R240-S490 PolarHBondContact NE-OG 2.91Å; D447-S490 CarbonylContact C-O 3.53Å; E448-S490 WeakPolarHBondContact OE1-CA 3.39Å; E448-S490 WeakPolarHBondContact OE1-CB 3.46Å; E448-S490 PolarHBondContact OE1-OG 3.29Å; R486-S490 PolarHBondContact O-N 3.43Å; I487-S490 PolarHBondContact O-N 3.23Å; L488-S490 VanDerWaalsContact C-N 3.32Å; L488-S490 PolarHBondContact O-N 3.43Å
491	K	90	Very high	91.5	Very high	27 Å²	27	39.9 Å²	39.9	12%	0.117	19%	0.192	C	C	.	.	H	α-helix	trans	-136.9	15	-178.6	-64.2	-64.8	168.3	-146.5	0	113.7	I203 E256 D447 I487	I203-K491 HydrophobicContact CD1-CB 3.8Å; I203-K491 HydrophobicContact CG1-CB 4.31Å; I203-K491 HydrophobicContact CG2-CB 4.04Å; I203-K491 HydrophobicContact CG2-CG 4.2Å; E256-K491 VanDerWaalsContact OE1-CE 3.25Å; E256-K491 WeakPolarHBondContact OE1-CE 3.09Å; E256-K491 IonicContact OE1-NZ 3.77Å; E256-K491 PolarHBondContact OE1-NZ 3.5Å; D447-K491 HydrophobicContact CB-CD 3.73Å; D447-K491 CarbonylContact O-C 3.5Å; D447-K491 WeakPolarHBondContact O-CA 3.21Å; D447-K491 WeakPolarHBondContact OD2-CD 3.42Å; D447-K491 IonicContact OD2-NZ 3.47Å; D447-K491 PolarHBondContact OD2-NZ 2.91Å; I487-K491 PolarHBondContact O-N 2.76Å
492	G	91.9	Very high	90.8	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.197	C	C	.	.			trans	-87.6	-0.7	-173.2	0	0	0	0	0	116.4	D447 I449 L488 Q494 Y495 K496	D447-G492 PolarHBondContact O-N 3.32Å; I449-G492 VanDerWaalsContact CG2-C 3.44Å; L488-G492 WeakPolarHBondContact O-CA 3.28Å; L488-G492 PolarHBondContact O-N 3.4Å; G492-Q494 VanDerWaalsContact C-N 3.25Å; G492-Q494 PolarHBondContact O-N 3.5Å; G492-Y495 CarbonylContact O-C 3.44Å; G492-Y495 WeakPolarHBondContact O-CA 3.3Å; G492-Y495 WeakPolarHBondContact O-CB 3.48Å; G492-Y495 PolarHBondContact O-N 3.43Å; G492-K496 PolarHBondContact O-N 2.62Å
493	L	90.8	Very high	90	Very high	49 Å²	49	44.9 Å²	44.9	26%	0.257	22%	0.22	S	C	.	.	H	α-helix	trans	-60.1	-35.5	-173.1	-175.4	65.6	0	0	0	113	P446 D447 I449 Y495 K496 K497	P446-L493 WeakPolarHBondContact O-CD2 3.45Å; D447-L493 VanDerWaalsContact O-CB 3.32Å; D447-L493 WeakPolarHBondContact O-CB 3.3Å; D447-L493 PolarHBondContact O-N 2.82Å; I449-L493 VanDerWaalsContact CG2-CA 3.45Å; I449-L493 HydrophobicContact CG2-CB 4.14Å; I449-L493 HydrophobicContact CG2-CD1 4.25Å; L493-Y495 PolarHBondContact O-N 2.8Å; L493-K496 HydrophobicContact CD1-CB 4.48Å; L493-K496 HydrophobicContact CD1-CD 4.45Å; L493-K496 PolarHBondContact O-N 3.46Å; L493-K497 PolarHBondContact O-N 2.77Å; L493-K497 VanDerWaalsContact O-N 3.1Å
494	Q	90.4	Very high	88.8	Confident	104 Å²	104	47.6 Å²	47.6	49%	0.486	23%	0.233	S	C	.	.	H	α-helix	trans	-58.9	-33.9	172.4	62.4	-176.7	0.4	0	0	112.4	G492 D498	G492-Q494 VanDerWaalsContact C-N 3.25Å; G492-Q494 PolarHBondContact O-N 3.5Å; Q494-D498 PolarHBondContact O-N 3.32Å
495	Y	92.8	Very high	87	Confident	22 Å²	22	51.2 Å²	51.2	9%	0.086	25%	0.249	C	C	.	.	H	α-helix	trans	-85.5	-22.1	178	-55	-46.4	0	0	0	113.9	V201 I203 W461 L488 G492 L493 K497 D498 P499 P502	V201-Y495 HydrophobicContact CB-CE2 4.45Å; V201-Y495 PolarHBondContact O-OH 3.4Å; I203-Y495 HydrophobicContact CD1-CE2 3.8Å; I203-Y495 HydrophobicContact CG1-CE2 4.29Å; W461-Y495 HydrophobicContact CH2-CD1 4.19Å; W461-Y495 AromaticContact CH2-CD2 3.78Å; W461-Y495 HydrophobicContact CH2-CD2 3.78Å; W461-Y495 HydrophobicContact CH2-CE2 4.45Å; W461-Y495 AromaticContact CH2-CG 3.63Å; W461-Y495 HydrophobicContact CH2-CG 3.63Å; W461-Y495 HydrophobicContact CZ2-CD1 4.29Å; W461-Y495 HydrophobicContact CZ2-CG 4.04Å; L488-Y495 HydrophobicContact CD2-CD2 3.88Å; L488-Y495 HydrophobicContact CD2-CE2 4.42Å; G492-Y495 CarbonylContact O-C 3.44Å; G492-Y495 WeakPolarHBondContact O-CA 3.3Å; G492-Y495 WeakPolarHBondContact O-CB 3.48Å; G492-Y495 PolarHBondContact O-N 3.43Å; L493-Y495 PolarHBondContact O-N 2.8Å; Y495-K497 VanDerWaalsContact C-N 3.31Å; Y495-D498 WeakPolarHBondContact CA-O 3.47Å; Y495-D498 CarbonylContact O-C 3.19Å; Y495-P499 WeakPolarHBondContact O-CA 3.5Å; Y495-P499 WeakPolarHBondContact O-CB 3.37Å; Y495-P499 VanDerWaalsContact O-N 3.11Å; Y495-P502 HydrophobicContact CD1-CG 4.31Å; Y495-P502 HydrophobicContact CE1-CG 3.46Å; Y495-P502 VanDerWaalsContact CE1-CG 3.46Å; Y495-P502 HydrophobicContact CE2-CG 4.25Å; Y495-P502 VanDerWaalsContact CZ-CG 3.41Å; Y495-P502 VanDerWaalsContact OH-CG 3.3Å; Y495-P502 WeakPolarHBondContact OH-CG 3.45Å
496	K	88.3	Confident	84.9	Confident	103 Å²	103	53 Å²	53	45%	0.448	26%	0.255	S	S	.	.	H	α-helix	trans	-68.8	-32.7	166.1	-177.1	171.9	-177	176.6	0	111.5	I449 D450 S453 G492 L493	I449-K496 HydrophobicContact CB-CD 4.27Å; I449-K496 HydrophobicContact CG2-CB 3.74Å; I449-K496 HydrophobicContact CG2-CD 3.92Å; I449-K496 HydrophobicContact CG2-CG 4.46Å; D450-K496 IonicContact OD2-NZ 2.99Å; D450-K496 PolarHBondContact OD2-NZ 3.2Å; S453-K496 WeakPolarHBondContact OG-CE 3Å; S453-K496 PolarHBondContact OG-NZ 3.37Å; G492-K496 PolarHBondContact O-N 2.62Å; L493-K496 HydrophobicContact CD1-CB 4.48Å; L493-K496 HydrophobicContact CD1-CD 4.45Å; L493-K496 PolarHBondContact O-N 3.46Å
497	K	88.8	Confident	82.7	Confident	166 Å²	166	59.5 Å²	59.5	72%	0.722	28%	0.284	S	S	*	.	H	α-helix	trans	-76.7	-43.9	173.9	-68.9	174.9	179.9	176.5	0	112.6	L493 Y495	L493-K497 PolarHBondContact O-N 2.77Å; L493-K497 VanDerWaalsContact O-N 3.1Å; Y495-K497 VanDerWaalsContact C-N 3.31Å
498	D	91	Very high	80.2	Confident	89 Å²	89	62.1 Å²	62.1	48%	0.476	30%	0.298	S	S	.	.	S	Bend	trans	-126.6	94.5	174.2	-179	-5.6	0	0	0	110.3	Q494 Y495 T500	Q494-D498 PolarHBondContact O-N 3.32Å; Y495-D498 WeakPolarHBondContact CA-O 3.47Å; Y495-D498 CarbonylContact O-C 3.19Å; D498-T500 PolarHBondContact O-N 3.1Å; D498-T500 WeakPolarHBondContact OD1-CB 3.49Å; D498-T500 WeakPolarHBondContact OD1-CG2 3.39Å; D498-T500 PolarHBondContact OD1-N 3.47Å; D498-T500 VanDerWaalsContact OD1-N 3.14Å; D498-T500 PolarHBondContact OD1-OG1 2.95Å; D498-T500 PolarHBondContact OD2-OG1 2.95Å
499	P	90.3	Very high	77.6	Confident	35 Å²	35	70.9 Å²	70.9	23%	0.227	34%	0.336	C	S	.	.			trans	-78.5	31.7	-177.1	32.1	-36.4	0	0	0	113.7	Y456 L457 K460 W461 Y495	Y456-P499 HydrophobicContact CE1-CB 4.17Å; L457-P499 HydrophobicContact CD2-CB 3.71Å; K460-P499 HydrophobicContact CD-CB 4.25Å; K460-P499 WeakPolarHBondContact CE-O 3.28Å; K460-P499 PolarHBondContact NZ-O 3.43Å; W461-P499 PolarHBondContact NE1-O 3.31Å; W461-P499 VanDerWaalsContact NE1-O 3.12Å; Y495-P499 WeakPolarHBondContact O-CA 3.5Å; Y495-P499 WeakPolarHBondContact O-CB 3.37Å; Y495-P499 VanDerWaalsContact O-N 3.11Å
500	T	90	Very high	75.4	Confident	84 Å²	84	79.2 Å²	79.2	52%	0.515	37%	0.367	S	S	.	.	S	Bend	trans	-79.1	144.8	165.9	53.9	0	0	0	0	110.8	W461 D498	W461-T500 WeakPolarHBondContact CZ2-O 3.46Å; D498-T500 PolarHBondContact O-N 3.1Å; D498-T500 WeakPolarHBondContact OD1-CB 3.49Å; D498-T500 WeakPolarHBondContact OD1-CG2 3.39Å; D498-T500 PolarHBondContact OD1-N 3.47Å; D498-T500 VanDerWaalsContact OD1-N 3.14Å; D498-T500 PolarHBondContact OD1-OG1 2.95Å; D498-T500 PolarHBondContact OD2-OG1 2.95Å
501	L	84.8	Confident	72.7	Confident	65 Å²	65	81.6 Å²	81.6	34%	0.34	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-72.9	131.5	175.4	-179.1	67.4	0	0	0	109.2	W461 W462 D503	W461-L501 HydrophobicContact CB-CD1 4.01Å; W461-L501 HydrophobicContact CD2-CB 4.31Å; W461-L501 HydrophobicContact CD2-CD1 3.57Å; W461-L501 HydrophobicContact CE3-CD1 3.71Å; W461-L501 HydrophobicContact CG-CB 4.03Å; W461-L501 HydrophobicContact CG-CD1 3.74Å; W461-L501 HydrophobicContact CG-CG 4.39Å; W461-L501 HydrophobicContact CZ3-CD1 4.31Å; W462-L501 HydrophobicContact CH2-CD1 3.81Å; W462-L501 HydrophobicContact CZ2-CD1 3.31Å; W462-L501 HydrophobicContact CZ2-CD2 4.28Å; W462-L501 HydrophobicContact CZ2-CG 4.45Å; L501-D503 PolarHBondContact O-N 3.42Å
502	P	82.2	Confident	70.3	Confident	18 Å²	18	88.7 Å²	88.7	12%	0.117	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-55.9	139	-179.9	-29.5	38.3	0	0	0	113.4	N202 Y495 Q504	N202-P502 HydrophobicContact CB-CB 3.86Å; N202-P502 HydrophobicContact CB-CG 4.48Å; Y495-P502 HydrophobicContact CD1-CG 4.31Å; Y495-P502 HydrophobicContact CE1-CG 3.46Å; Y495-P502 VanDerWaalsContact CE1-CG 3.46Å; Y495-P502 HydrophobicContact CE2-CG 4.25Å; Y495-P502 VanDerWaalsContact CZ-CG 3.41Å; Y495-P502 VanDerWaalsContact OH-CG 3.3Å; Y495-P502 WeakPolarHBondContact OH-CG 3.45Å; P502-Q504 PolarHBondContact O-N 3.45Å
503	D	74.9	Confident	67.7	Low	90 Å²	90	92.2 Å²	92.2	48%	0.481	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-61.3	121.6	170	-173.6	7.4	0	0	0	109.2	L501 K505	L501-D503 PolarHBondContact O-N 3.42Å; D503-K505 VanDerWaalsContact CG-NZ 3.31Å; D503-K505 PolarHBondContact O-N 2.88Å; D503-K505 WeakPolarHBondContact OD1-CE 3.41Å; D503-K505 WeakPolarHBondContact OD1-CG 3.32Å; D503-K505 PolarHBondContact OD1-N 3.06Å; D503-K505 IonicContact OD1-NZ 3.22Å; D503-K505 PolarHBondContact OD1-NZ 2.98Å; D503-K505 VanDerWaalsContact OD2-CD 3.23Å; D503-K505 WeakPolarHBondContact OD2-CD 3.45Å; D503-K505 WeakPolarHBondContact OD2-CE 3.48Å; D503-K505 IonicContact OD2-NZ 2.65Å; D503-K505 PolarHBondContact OD2-NZ 2.93Å
504	Q	67.2	Low	65.4	Low	58 Å²	58	95 Å²	95	27%	0.271	45%	0.45	S	S	.	.	S	Bend	trans	-71.9	23.5	-179.6	-59.6	178.7	-5.6	0	0	112.5	P502 N516	P502-Q504 PolarHBondContact O-N 3.45Å; Q504-N516 VanDerWaalsContact O-CB 3.24Å; Q504-N516 WeakPolarHBondContact O-CB 3.32Å; Q504-N516 VanDerWaalsContact O-CG 3.25Å; Q504-N516 PolarHBondContact O-N 3.37Å; Q504-N516 PolarHBondContact O-ND2 3.34Å
505	K	57.9	Low	63.2	Low	76 Å²	76	97.8 Å²	97.8	33%	0.33	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	123.4	174.1	-70.6	177.3	-144.3	120.6	0	110	D503 V513 K514 R515	D503-K505 VanDerWaalsContact CG-NZ 3.31Å; D503-K505 PolarHBondContact O-N 2.88Å; D503-K505 WeakPolarHBondContact OD1-CE 3.41Å; D503-K505 WeakPolarHBondContact OD1-CG 3.32Å; D503-K505 PolarHBondContact OD1-N 3.06Å; D503-K505 IonicContact OD1-NZ 3.22Å; D503-K505 PolarHBondContact OD1-NZ 2.98Å; D503-K505 VanDerWaalsContact OD2-CD 3.23Å; D503-K505 WeakPolarHBondContact OD2-CD 3.45Å; D503-K505 WeakPolarHBondContact OD2-CE 3.48Å; D503-K505 IonicContact OD2-NZ 2.65Å; D503-K505 PolarHBondContact OD2-NZ 2.93Å; K505-V513 HydrophobicContact CB-CG1 3.9Å; K505-V513 HydrophobicContact CD-CG1 3.82Å; K505-V513 HydrophobicContact CG-CG1 4.2Å; K505-K514 CarbonylContact C-O 3.53Å; K505-K514 VanDerWaalsContact CA-O 3.32Å; K505-K514 WeakPolarHBondContact CA-O 3.33Å; K505-R515 HydrophobicContact CD-CG 4.08Å; K505-R515 HydrophobicContact CG-CB 4.25Å; K505-R515 HydrophobicContact CG-CG 3.52Å
506	Y	50.7	Low	60.8	Low	57 Å²	57	97.9 Å²	97.9	22%	0.224	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	136.7	173.1	178.8	-110.3	0	0	0	111.2	L197 N508 K514	L197-Y506 HydrophobicContact CD2-CD2 3.37Å; L197-Y506 HydrophobicContact CD2-CE2 3.87Å; L197-Y506 HydrophobicContact CD2-CG 3.96Å; Y506-N508 HydrophobicContact CE1-CB 4.36Å; Y506-K514 PolarHBondContact N-O 2.98Å; Y506-K514 PolarHBondContact O-N 3.38Å
507	K	46.2	Very low	58.6	Low	144 Å²	144	94 Å²	94	63%	0.626	45%	0.447	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.7	119.4	167.5	-74.3	177.6	-178.6	176	0	108.9	V513	K507-V513 HydrophobicContact CD-CG2 4.42Å; K507-V513 HydrophobicContact CG-CG2 3.77Å
508	N	42.5	Very low	55.9	Low	55 Å²	55	89 Å²	89	29%	0.294	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-74.2	169.9	174.1	68	21.6	0	0	0	112.1	Y506 R510 G511 R512	Y506-N508 HydrophobicContact CE1-CB 4.36Å; N508-R510 PolarHBondContact O-N 3.48Å; N508-R510 WeakPolarHBondContact OD1-CA 3.44Å; N508-R510 WeakPolarHBondContact OD1-CB 3.47Å; N508-R510 PolarHBondContact OD1-N 3.49Å; N508-G511 PolarHBondContact O-N 2.91Å; N508-R512 PolarHBondContact N-O 3.05Å; N508-R512 PolarHBondContact OD1-N 3.29Å; N508-R512 VanDerWaalsContact OD1-N 3.09Å; N508-R512 PolarHBondContact OD1-O 3.24Å
509	K	39.5	Very low	52.8	Low	184 Å²	184	89.7 Å²	89.7	80%	0.8	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-5.8	176.8	-72.5	-170	174	-174.6	0	115.7
510	R	43.3	Very low	49.9	Very low	236 Å²	236	92.9 Å²	92.9	89%	0.891	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.1	18	171.5	-62.9	-174.4	177.4	-178.2	-0.7	112.6	N508 R512	N508-R510 PolarHBondContact O-N 3.48Å; N508-R510 WeakPolarHBondContact OD1-CA 3.44Å; N508-R510 WeakPolarHBondContact OD1-CB 3.47Å; N508-R510 PolarHBondContact OD1-N 3.49Å; R510-R512 PolarHBondContact O-N 3.45Å
511	G	34.2	Very low	46.9	Very low	52 Å²	52	95.7 Å²	95.7	54%	0.536	49%	0.485	S	S	.	.	S	Bend	trans	68.9	-3.7	-176.8	0	0	0	0	0	115.3	N508 V513	N508-G511 PolarHBondContact O-N 2.91Å; G511-V513 PolarHBondContact O-N 2.58Å
512	R	37.8	Very low	44.3	Very low	175 Å²	175	95.9 Å²	95.9	66%	0.66	50%	0.502	S	S	*	.			trans	-80.3	114.5	-171.5	-164.6	172	-177.7	173.7	1.2	110.2	N508 R510	N508-R512 PolarHBondContact N-O 3.05Å; N508-R512 PolarHBondContact OD1-N 3.29Å; N508-R512 VanDerWaalsContact OD1-N 3.09Å; N508-R512 PolarHBondContact OD1-O 3.24Å; R510-R512 PolarHBondContact O-N 3.45Å
513	V	38.3	Very low	41.7	Very low	75 Å²	75	105 Å²	105	46%	0.455	54%	0.54	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	130	172.3	-176.9	0	0	0	0	109.7	K505 K507 G511	K505-V513 HydrophobicContact CB-CG1 3.9Å; K505-V513 HydrophobicContact CD-CG1 3.82Å; K505-V513 HydrophobicContact CG-CG1 4.2Å; K507-V513 HydrophobicContact CD-CG2 4.42Å; K507-V513 HydrophobicContact CG-CG2 3.77Å; G511-V513 PolarHBondContact O-N 2.58Å
514	K	43.5	Very low	39.3	Very low	107 Å²	107	106.4 Å²	106.4	47%	0.465	56%	0.557	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-130.3	134.9	163.6	-76.2	-168.4	170.6	-167.2	0	109.2	K505 Y506	K505-K514 CarbonylContact C-O 3.53Å; K505-K514 VanDerWaalsContact CA-O 3.32Å; K505-K514 WeakPolarHBondContact CA-O 3.33Å; Y506-K514 PolarHBondContact N-O 2.98Å; Y506-K514 PolarHBondContact O-N 3.38Å
515	R	43.5	Very low	37.4	Very low	162 Å²	162	113.4 Å²	113.4	61%	0.611	59%	0.586	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-60.6	138.1	161.6	-82.3	178.7	160.1	151	-5	108.8	K505 G517	K505-R515 HydrophobicContact CD-CG 4.08Å; K505-R515 HydrophobicContact CG-CB 4.25Å; K505-R515 HydrophobicContact CG-CG 3.52Å; R515-G517 PolarHBondContact O-N 3.32Å
516	N	42.4	Very low	36.6	Very low	24 Å²	24	115.6 Å²	115.6	13%	0.128	61%	0.608	C	S	.	*	T	Hydrogen-bonded Turn	trans	-57.9	121	152.6	-67.7	-29.5	0	0	0	106.3	R180 Q504	R180-N516 PolarHBondContact NH1-OD1 3.2Å; R180-N516 VanDerWaalsContact NH1-OD1 3.11Å; Q504-N516 VanDerWaalsContact O-CB 3.24Å; Q504-N516 WeakPolarHBondContact O-CB 3.32Å; Q504-N516 VanDerWaalsContact O-CG 3.25Å; Q504-N516 PolarHBondContact O-N 3.37Å; Q504-N516 PolarHBondContact O-ND2 3.34Å
517	G	40.9	Very low	35.5	Very low	22 Å²	22	124.5 Å²	124.5	23%	0.227	64%	0.641	C	S	.	*	T	Hydrogen-bonded Turn	trans	110.6	-25.7	179	0	0	0	0	0	117.6	T165 R515	T165-G517 VanDerWaalsContact CB-O 3.26Å; T165-G517 WeakPolarHBondContact CB-O 3.37Å; T165-G517 PolarHBondContact OG1-O 2.8Å; R515-G517 PolarHBondContact O-N 3.32Å
518	S	32.1	Very low	34.8	Very low	62 Å²	62	123.4 Å²	123.4	43%	0.434	65%	0.649	S	S	.	*			trans	-101.1	123.2	-169.1	72.5	0	0	0	0	115.7
519	C	27.6	Very low	33.9	Very low	103 Å²	103	125.5 Å²	125.5	70%	0.696	67%	0.674	S	S	*	*			trans	-80.7	145.9	158	-164.1	0	0	0	0	110.6	T521	C519-T521 PolarHBondContact O-N 2.96Å
520	S	28.8	Very low	33.3	Very low	101 Å²	101	122.3 Å²	122.3	71%	0.706	68%	0.675	S	S	*	*			trans	-92.7	92.5	176.2	54.7	0	0	0	0	111	G522	S520-G522 VanDerWaalsContact C-N 3.34Å; S520-G522 PolarHBondContact O-N 3.33Å; S520-G522 VanDerWaalsContact O-N 3.16Å
521	T	27.4	Very low	32.6	Very low	144 Å²	144	116.8 Å²	116.8	88%	0.883	67%	0.667	S	S	*	*			trans	-80.3	79.1	166.8	40.8	0	0	0	0	109.9	C519	C519-T521 PolarHBondContact O-N 2.96Å
522	G	29.6	Very low	32.3	Very low	69 Å²	69	119.9 Å²	119.9	71%	0.711	68%	0.678	S	S	*	*			trans	-125.2	113.2	-179.4	0	0	0	0	0	111.5	S520	S520-G522 VanDerWaalsContact C-N 3.34Å; S520-G522 PolarHBondContact O-N 3.33Å; S520-G522 VanDerWaalsContact O-N 3.16Å
523	K	26.9	Very low	31.7	Very low	210 Å²	210	120.2 Å²	120.2	91%	0.913	69%	0.687	S	S	*	*			trans	-65.1	151.1	-175.4	-68.6	174.4	175.8	177.2	0	112.8
524	S	25.8	Very low	31	Very low	118 Å²	118	126.1 Å²	126.1	83%	0.825	71%	0.706	S	S	*	*			trans	-61.2	141.1	170.7	40.4	0	0	0	0	113.2
525	K	27.7	Very low	30	Very low	205 Å²	205	130 Å²	130	89%	0.891	73%	0.726	S	S	*	*			trans	-143	140.1	154.4	-85.9	-165.1	173.9	-175.4	0	109.7
526	P	39.3	Very low	29	Very low	123 Å²	123	130 Å²	130	80%	0.799	74%	0.737	S	S	*	*			trans	-106.1	152.2	-173.1	38.9	-34	0	0	0	114.5
527	R	28.3	Very low	28.1	Very low	243 Å²	243	134.8 Å²	134.8	92%	0.917	77%	0.768	S	S	*	*			trans	174.9	164	159	-110.8	-170.7	171.1	-150.6	-2.5	110.1
528	P	30.7	Very low	27.3	Very low	121 Å²	121	140.1 Å²	140.1	79%	0.786	80%	0.796	S	S	*	*				-122.1	-173.8	-50.5	27.3	-6.3	0	0	0	111.5
529	A	24.6	Very low	27	Very low	100 Å²	100	141.9 Å²	141.9	83%	0.826	80%	0.804	S	S	*	*			trans	-99.3	143.1	-174.6	0	0	0	0	0	115.1
530	S	26.9	Very low	27	Very low	117 Å²	117	140.5 Å²	140.5	82%	0.818	79%	0.79	S	S	*	*			trans	171.1	160.3	157	66.3	0	0	0	0	107.9
531	V	27.8	Very low	26.9	Very low	119 Å²	119	143 Å²	143	72%	0.721	79%	0.794	S	S	*	*			cis	-132.6	145.7	-11.6	177.2	0	0	0	0	106.1
532	P	28.3	Very low	27	Very low	118 Å²	118	145.8 Å²	145.8	77%	0.766	79%	0.789	S	S	*	*			trans	-82.6	139.8	-172.7	32.6	-35.6	0	0	0	114.6
533	H	25.9	Very low	27	Very low	182 Å²	182	146.3 Å²	146.3	84%	0.843	78%	0.775	S	S	*	*			trans	-135.9	122.7	162.8	-91.1	-71.1	0	0	0	111.2
534	K	23.4	Very low	27.4	Very low	199 Å²	199	144.6 Å²	144.6	87%	0.865	77%	0.77	S	S	*	*			trans	19	114.5	168.6	-70.3	-174.5	174	-177.4	0	118.1	L536	K534-L536 PolarHBondContact O-N 3.04Å; K534-L536 VanDerWaalsContact O-N 3.11Å
535	E	21.7	Very low	27.7	Very low	188 Å²	188	147.7 Å²	147.7	88%	0.879	77%	0.769	S	S	*	*			trans	-54.3	110	170.3	-66	172	118.4	0	0	112.4	T537	E535-T537 PolarHBondContact O-N 3.31Å
536	L	22.3	Very low	27.9	Very low	161 Å²	161	141.8 Å²	141.8	84%	0.843	75%	0.753	S	S	*	*			trans	-81.8	101.3	149.4	-85.5	151.1	0	0	0	106.6	K534 T538	K534-L536 PolarHBondContact O-N 3.04Å; K534-L536 VanDerWaalsContact O-N 3.11Å; L536-T538 PolarHBondContact O-N 3.44Å; L536-T538 PolarHBondContact O-OG1 3.04Å; L536-T538 VanDerWaalsContact O-OG1 3.07Å
537	T	24.5	Very low	27.5	Very low	126 Å²	126	141.8 Å²	141.8	77%	0.773	74%	0.744	S	S	*	*			trans	-51.1	109.2	179.8	37.2	0	0	0	0	110.2	E535 V539	E535-T537 PolarHBondContact O-N 3.31Å; T537-V539 PolarHBondContact O-N 3.29Å
538	T	24.3	Very low	27.7	Very low	134 Å²	134	139 Å²	139	82%	0.822	74%	0.739	S	S	*	*			trans	-87.2	96.1	-171.4	-58.6	0	0	0	0	108.9	L536 D540	L536-T538 PolarHBondContact O-N 3.44Å; L536-T538 PolarHBondContact O-OG1 3.04Å; L536-T538 VanDerWaalsContact O-OG1 3.07Å; T538-D540 PolarHBondContact O-N 3.33Å
539	V	25.7	Very low	27.9	Very low	99 Å²	99	140.7 Å²	140.7	60%	0.6	74%	0.741	S	S	*	*			trans	-63.5	120.3	171.2	-178.2	0	0	0	0	108.6	T537 L541	T537-V539 PolarHBondContact O-N 3.29Å; V539-L541 PolarHBondContact O-N 3.39Å; V539-L541 VanDerWaalsContact O-N 3.11Å
540	D	27.7	Very low	28.3	Very low	74 Å²	74	139.7 Å²	139.7	40%	0.396	73%	0.733	S	S	.	*			trans	-72.8	106.2	178.8	-166.3	-22	0	0	0	109.8	T538 R542 D543	T538-D540 PolarHBondContact O-N 3.33Å; D540-R542 PolarHBondContact O-N 2.73Å; D540-R542 VanDerWaalsContact OD1-CB 3.29Å; D540-R542 WeakPolarHBondContact OD1-CB 3.5Å; D540-R542 WeakPolarHBondContact OD1-CG 3.42Å; D540-R542 IonicContact OD1-CZ 3.72Å; D540-R542 PolarHBondContact OD1-N 2.94Å; D540-R542 IonicContact OD1-NE 2.89Å; D540-R542 PolarHBondContact OD1-NE 2.88Å; D540-R542 IonicContact OD1-NH2 3.67Å; D540-R542 IonicContact OD2-CZ 3.34Å; D540-R542 IonicContact OD2-NE 3.25Å; D540-R542 PolarHBondContact OD2-NE 3.4Å; D540-R542 IonicContact OD2-NH2 2.67Å; D540-R542 PolarHBondContact OD2-NH2 2.86Å; D540-D543 PolarHBondContact O-N 2.86Å
541	L	26.8	Very low	28.5	Very low	154 Å²	154	142.7 Å²	142.7	81%	0.806	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.6	4.7	179.2	-64.8	168.6	0	0	0	114.2	V539	V539-L541 PolarHBondContact O-N 3.39Å; V539-L541 VanDerWaalsContact O-N 3.11Å
542	R	29.4	Very low	28.7	Very low	201 Å²	201	143.6 Å²	143.6	76%	0.758	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94	-14.5	170.2	-63.4	172.1	-66.8	176	2.1	113.3	D540 Q544	D540-R542 PolarHBondContact O-N 2.73Å; D540-R542 VanDerWaalsContact OD1-CB 3.29Å; D540-R542 WeakPolarHBondContact OD1-CB 3.5Å; D540-R542 WeakPolarHBondContact OD1-CG 3.42Å; D540-R542 IonicContact OD1-CZ 3.72Å; D540-R542 PolarHBondContact OD1-N 2.94Å; D540-R542 IonicContact OD1-NE 2.89Å; D540-R542 PolarHBondContact OD1-NE 2.88Å; D540-R542 IonicContact OD1-NH2 3.67Å; D540-R542 IonicContact OD2-CZ 3.34Å; D540-R542 IonicContact OD2-NE 3.25Å; D540-R542 PolarHBondContact OD2-NE 3.4Å; D540-R542 IonicContact OD2-NH2 2.67Å; D540-R542 PolarHBondContact OD2-NH2 2.86Å; R542-Q544 PolarHBondContact O-N 2.96Å; R542-Q544 VanDerWaalsContact O-N 3.16Å
543	D	29.2	Very low	29.2	Very low	80 Å²	80	142.3 Å²	142.3	43%	0.428	73%	0.729	S	S	.	*			trans	-79.6	97.4	173.8	-170.1	-1.1	0	0	0	110.6	D540 K545 S546	D540-D543 PolarHBondContact O-N 2.86Å; D543-K545 PolarHBondContact O-N 3.17Å; D543-K545 VanDerWaalsContact O-N 3.09Å; D543-K545 WeakPolarHBondContact OD1-CB 3.43Å; D543-K545 PolarHBondContact OD1-N 3.05Å; D543-S546 PolarHBondContact O-N 3.16Å
544	Q	35.7	Very low	29.5	Very low	175 Å²	175	138.2 Å²	138.2	82%	0.818	72%	0.717	S	S	*	*	G	3₁₀ helix	trans	-61.4	-14.7	178.8	-69.7	-176.9	-28.5	0	0	113.5	R542	R542-Q544 PolarHBondContact O-N 2.96Å; R542-Q544 VanDerWaalsContact O-N 3.16Å
545	K	31.5	Very low	30.1	Very low	183 Å²	183	137.9 Å²	137.9	80%	0.796	71%	0.71	S	S	*	*	G	3₁₀ helix	trans	-72	-29.5	177.3	-68.5	-176	176	-179.7	0	113.2	D543 M547	D543-K545 PolarHBondContact O-N 3.17Å; D543-K545 VanDerWaalsContact O-N 3.09Å; D543-K545 WeakPolarHBondContact OD1-CB 3.43Å; D543-K545 PolarHBondContact OD1-N 3.05Å; K545-M547 VanDerWaalsContact C-N 3.32Å; K545-M547 PolarHBondContact O-N 2.92Å
546	S	33.1	Very low	30.6	Very low	80 Å²	80	132.9 Å²	132.9	56%	0.559	69%	0.693	S	S	*	*	G	3₁₀ helix	trans	-80.4	-7.9	-176.9	-59	0	0	0	0	114.6	D543	D543-S546 PolarHBondContact O-N 3.16Å
547	M	30.4	Very low	31.2	Very low	123 Å²	123	128.1 Å²	128.1	61%	0.606	67%	0.672	S	S	*	*	G	3₁₀ helix	trans	-88.4	-7.3	-174.6	-76.8	-122.4	60.3	0	0	115.4	K545 N549	K545-M547 VanDerWaalsContact C-N 3.32Å; K545-M547 PolarHBondContact O-N 2.92Å; M547-N549 VanDerWaalsContact C-N 3.32Å; M547-N549 PolarHBondContact O-N 3.26Å
548	K	31.7	Very low	31.4	Very low	185 Å²	185	127.3 Å²	127.3	80%	0.804	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.5	-13.5	-172.8	-80.7	-163.7	170.2	-167.9	0	116.3
549	N	35.9	Very low	31.7	Very low	157 Å²	157	125.8 Å²	125.8	84%	0.84	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.3	33.2	-167.7	-67.3	18.8	0	0	0	114	M547	M547-N549 VanDerWaalsContact C-N 3.32Å; M547-N549 PolarHBondContact O-N 3.26Å
550	A	33.1	Very low	31.9	Very low	79 Å²	79	128.6 Å²	128.6	65%	0.653	66%	0.659	S	S	*	*			trans	-129.4	67.3	-178.9	0	0	0	0	0	112.7
551	E	29.6	Very low	32.1	Very low	180 Å²	180	131.3 Å²	131.3	84%	0.841	67%	0.672	S	S	*	*			trans	-65.8	144.2	166.6	-63.3	177.3	154.7	0	0	110.9
552	N	33.5	Very low	32.4	Very low	137 Å²	137	130.1 Å²	130.1	73%	0.733	67%	0.665	S	S	*	*			trans	55	84.9	163.2	-59.2	-27.9	0	0	0	118.3	T554	N552-T554 PolarHBondContact O-N 2.74Å
553	S	38.4	Very low	32.6	Very low	92 Å²	92	126.2 Å²	126.2	64%	0.643	66%	0.66	S	S	*	*			trans	-96.1	65.2	175.9	67.1	0	0	0	0	115.6
554	T	31.1	Very low	32.8	Very low	96 Å²	96	128.9 Å²	128.9	59%	0.589	67%	0.674	S	S	*	*			trans	-72.7	137	163.4	-58.1	0	0	0	0	110.2	N552	N552-T554 PolarHBondContact O-N 2.74Å
555	R	37	Very low	32.6	Very low	191 Å²	191	126 Å²	126	72%	0.721	67%	0.665	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-139	130.1	173.4	-67.4	-171.1	178.8	-167.8	-0.2	112.1
556	T	31.4	Very low	32.7	Very low	84 Å²	84	122.2 Å²	122.2	52%	0.515	66%	0.656	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.2	142.6	176.2	-49.3	0	0	0	0	109.5
557	C	35.7	Very low	32.7	Very low	60 Å²	60	125.2 Å²	125.2	41%	0.405	66%	0.663	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-140.6	141.7	172.4	58.9	0	0	0	0	111.9	V37	V37-C557 PolarHBondContact O-N 3.16Å
558	N	28.1	Very low	32.8	Very low	110 Å²	110	125.4 Å²	125.4	59%	0.588	67%	0.668	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-82.2	137.6	175.7	-60.1	7.2	0	0	0	109.4
559	I	30.7	Very low	32.9	Very low	102 Å²	102	120.4 Å²	120.4	52%	0.523	66%	0.656	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-118.6	122.3	173	-52.9	-175.4	0	0	0	107.8	V37	V37-I559 HydrophobicContact CB-CD1 4.16Å; V37-I559 HydrophobicContact CG2-CD1 3.89Å; V37-I559 HydrophobicContact CG2-CG1 4.31Å
560	L	30.8	Very low	32.7	Very low	157 Å²	157	117.1 Å²	117.1	82%	0.822	64%	0.639	S	S	*	*			trans	-94.7	0	-172.9	-84.4	169.1	0	0	0	114.7	K32 E34	K32-L560 PolarHBondContact NZ-OXT 3.1Å; E34-L560 HydrophobicContact CG-CD2 4.29Å; E34-L560 WeakPolarHBondContact OE1-CD2 3.31Å

Retrieved 560 of 560 residues in 180.1 ms (Link to these results)

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