G4M1K4_SCHMA Loading...

28S ribosomal protein S30, mitochondrial

AlphaFold DB , UniProt , Accession G4M1K4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 639 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	31.9	Very low	27.3	Very low	245 Å²	245	169.8 Å²	169.8	100%	1.207	86%	0.855	S	S	*	*				0	103.4	0	-77.5	-179	176.7	0	0	107.8
2	T	28.3	Very low	27.2	Very low	140 Å²	140	171.3 Å²	171.3	86%	0.859	85%	0.852	S	S	*	*			trans	-90.6	107.5	-170	36.9	0	0	0	0	110.5
3	L	28.8	Very low	27.1	Very low	163 Å²	163	167.8 Å²	167.8	85%	0.853	85%	0.852	S	S	*	*			trans	-97.4	95.9	167.6	-84.8	158.7	0	0	0	108.6	L5	L3-L5 PolarHBondContact O-N 2.83Å
4	Q	27	Very low	27	Very low	184 Å²	184	160 Å²	160	86%	0.86	83%	0.834	S	S	*	*			trans	-73.3	102.8	162.1	-80.2	-179.2	-30.2	0	0	108.1
5	L	29.3	Very low	26.9	Very low	157 Å²	157	155.7 Å²	155.7	82%	0.822	82%	0.817	S	S	*	*			trans	-93.6	99.9	165.8	-91	157	0	0	0	108.6	L3 C7	L3-L5 PolarHBondContact O-N 2.83Å; L5-C7 PolarHBondContact O-N 3.27Å; L5-C7 VanDerWaalsContact O-N 3.16Å
6	T	25.5	Very low	26.8	Very low	127 Å²	127	152.6 Å²	152.6	78%	0.779	81%	0.807	S	S	*	*			trans	-69.5	97.3	168.3	49.2	0	0	0	0	109.6	R8	T6-R8 PolarHBondContact O-N 3.02Å
7	C	26.3	Very low	26.9	Very low	118 Å²	118	151.8 Å²	151.8	80%	0.797	79%	0.79	S	S	*	*			trans	-79.9	110.9	164.6	-95.7	0	0	0	0	109.5	L5 I9	L5-C7 PolarHBondContact O-N 3.27Å; L5-C7 VanDerWaalsContact O-N 3.16Å; C7-I9 PolarHBondContact O-N 3.48Å
8	R	24.4	Very low	26.9	Very low	240 Å²	240	151.9 Å²	151.9	91%	0.906	79%	0.786	S	S	*	*			trans	-66.7	115	166.9	-75.6	-179.6	173.9	179.2	-1.5	108.6	T6 P10	T6-R8 PolarHBondContact O-N 3.02Å; R8-P10 WeakPolarHBondContact O-CD 3.12Å
9	I	26.2	Very low	26.9	Very low	154 Å²	154	150.5 Å²	150.5	79%	0.79	78%	0.778	S	S	*	*			trans	-66.3	118.3	171.7	-61.2	165	0	0	0	108.3	C7 R11	C7-I9 PolarHBondContact O-N 3.48Å; I9-R11 PolarHBondContact O-N 2.69Å
10	P	26.5	Very low	26.9	Very low	90 Å²	90	148.1 Å²	148.1	58%	0.584	78%	0.775	S	S	*	*			trans	-72.4	125.2	163.9	29.7	-27.5	0	0	0	107.8	R8 F12	R8-P10 WeakPolarHBondContact O-CD 3.12Å; P10-F12 HydrophobicContact CB-CD2 4.44Å; P10-F12 HydrophobicContact CB-CE2 4.41Å; P10-F12 HydrophobicContact CG-CD2 4.14Å; P10-F12 HydrophobicContact CG-CE2 4.03Å; P10-F12 PolarHBondContact O-N 3.16Å
11	R	26	Very low	27.1	Very low	250 Å²	250	147.2 Å²	147.2	94%	0.943	77%	0.766	S	S	*	*			trans	-62.4	97.7	170.4	-73.4	179.3	175.6	171.5	-1.7	108.3	I9 C13	I9-R11 PolarHBondContact O-N 2.69Å; R11-C13 PolarHBondContact O-N 3.46Å
12	F	26.9	Very low	26.8	Very low	188 Å²	188	139.5 Å²	139.5	83%	0.825	74%	0.735	S	S	*	*			trans	-81.1	116.2	169.2	-95.5	-81.8	0	0	0	109.9	P10 G14	P10-F12 HydrophobicContact CB-CD2 4.44Å; P10-F12 HydrophobicContact CB-CE2 4.41Å; P10-F12 HydrophobicContact CG-CD2 4.14Å; P10-F12 HydrophobicContact CG-CE2 4.03Å; P10-F12 PolarHBondContact O-N 3.16Å; F12-G14 PolarHBondContact O-N 2.93Å
13	C	24.8	Very low	26.9	Very low	126 Å²	126	138 Å²	138	85%	0.851	73%	0.728	S	S	*	*			trans	-75.4	75.8	163.9	-150.4	0	0	0	0	107.8	R11	R11-C13 PolarHBondContact O-N 3.46Å
14	G	25.5	Very low	26.9	Very low	58 Å²	58	135.5 Å²	135.5	60%	0.598	72%	0.719	S	S	*	*			trans	-92.9	100.8	165.3	0	0	0	0	0	107.9	F12 T16	F12-G14 PolarHBondContact O-N 2.93Å; G14-T16 VanDerWaalsContact C-N 3.25Å; G14-T16 PolarHBondContact O-N 2.77Å
15	T	25.4	Very low	27.1	Very low	95 Å²	95	133.4 Å²	133.4	58%	0.583	71%	0.714	S	S	*	*			trans	-71.5	85.1	172.8	46.3	0	0	0	0	109.3	R17 I524	T15-R17 PolarHBondContact O-N 3.25Å; T15-R17 VanDerWaalsContact O-N 3.07Å; T15-I524 HydrophobicContact CG2-CD1 3.86Å
16	T	25.8	Very low	27.5	Very low	106 Å²	106	135 Å²	135	65%	0.65	71%	0.714	S	S	*	*			trans	-63.7	102.5	158.6	47.7	0	0	0	0	107.3	G14 H18	G14-T16 VanDerWaalsContact C-N 3.25Å; G14-T16 PolarHBondContact O-N 2.77Å; T16-H18 VanDerWaalsContact C-N 3.27Å; T16-H18 PolarHBondContact O-N 2.96Å
17	R	28	Very low	28.3	Very low	139 Å²	139	137.7 Å²	137.7	53%	0.525	72%	0.715	S	S	.	*			trans	-69.4	91.7	167	-83	-174.2	176.5	177.7	1.1	107.8	T15 I19	T15-R17 PolarHBondContact O-N 3.25Å; T15-R17 VanDerWaalsContact O-N 3.07Å; R17-I19 PolarHBondContact O-N 2.96Å
18	H	26.7	Very low	29.2	Very low	154 Å²	154	136.3 Å²	136.3	71%	0.713	70%	0.697	S	S	*	*			trans	-66.2	99.1	163.1	-86.5	-61	0	0	0	108.8	T16 S20	T16-H18 VanDerWaalsContact C-N 3.27Å; T16-H18 PolarHBondContact O-N 2.96Å; H18-S20 PolarHBondContact O-N 3.42Å; H18-S20 VanDerWaalsContact O-N 3.17Å
19	I	27.3	Very low	29.9	Very low	125 Å²	125	127.4 Å²	127.4	64%	0.641	67%	0.67	S	S	*	*			trans	-82.1	80.8	157.3	-55.2	178.3	0	0	0	106.4	R17 F21	R17-I19 PolarHBondContact O-N 2.96Å; I19-F21 HydrophobicContact CB-CE2 4.5Å; I19-F21 HydrophobicContact CG2-CD2 4.19Å; I19-F21 HydrophobicContact CG2-CE1 4.16Å; I19-F21 HydrophobicContact CG2-CE2 3.61Å; I19-F21 HydrophobicContact CG2-CZ 3.6Å; I19-F21 PolarHBondContact O-N 3.03Å
20	S	27.6	Very low	30.6	Very low	103 Å²	103	127.4 Å²	127.4	72%	0.72	67%	0.665	S	S	*	*			trans	-80.4	112.4	170.9	61.7	0	0	0	0	109.4	H18	H18-S20 PolarHBondContact O-N 3.42Å; H18-S20 VanDerWaalsContact O-N 3.17Å
21	F	30.4	Very low	31.6	Very low	130 Å²	130	128.7 Å²	128.7	57%	0.57	66%	0.663	S	S	*	*			trans	-77.7	124.5	175.1	-68.6	-84.6	0	0	0	111.2	I19	I19-F21 HydrophobicContact CB-CE2 4.5Å; I19-F21 HydrophobicContact CG2-CD2 4.19Å; I19-F21 HydrophobicContact CG2-CE1 4.16Å; I19-F21 HydrophobicContact CG2-CE2 3.61Å; I19-F21 HydrophobicContact CG2-CZ 3.6Å; I19-F21 PolarHBondContact O-N 3.03Å
22	S	27	Very low	32.8	Very low	82 Å²	82	118.3 Å²	118.3	57%	0.573	63%	0.626	S	S	*	*			trans	-80	132.9	173.5	161.4	0	0	0	0	111.4	V24 R319	S22-V24 VanDerWaalsContact C-N 3.33Å; S22-V24 PolarHBondContact O-N 3Å; S22-V24 VanDerWaalsContact O-N 3.09Å; S22-R319 PolarHBondContact O-NH2 2.8Å
23	P	29	Very low	33.7	Very low	109 Å²	109	113.8 Å²	113.8	71%	0.708	60%	0.603	S	S	*	*			trans	-86	64.4	-179.7	36.6	-34.8	0	0	0	111.4
24	V	28.9	Very low	34.9	Very low	110 Å²	110	111.3 Å²	111.3	67%	0.667	58%	0.581	S	S	*	*			trans	-134.5	101.2	165.6	-172.7	0	0	0	0	109.3	S22 R319	S22-V24 VanDerWaalsContact C-N 3.33Å; S22-V24 PolarHBondContact O-N 3Å; S22-V24 VanDerWaalsContact O-N 3.09Å; V24-R319 PolarHBondContact O-NH2 3.42Å
25	L	32.3	Very low	36	Very low	141 Å²	141	117.2 Å²	117.2	74%	0.738	59%	0.585	S	S	*	*			trans	175.2	100	155	-93	173.9	0	0	0	107.1	R319	L25-R319 PolarHBondContact O-NH1 3.15Å; L25-R319 VanDerWaalsContact O-NH1 3.14Å
26	F	36.4	Very low	37	Very low	190 Å²	190	115.4 Å²	115.4	83%	0.833	58%	0.577	S	S	*	*			trans	-92.5	130.8	178.4	-88.7	-92.2	0	0	0	109.8
27	K	42.6	Very low	38.1	Very low	184 Å²	184	115 Å²	115	80%	0.8	57%	0.566	S	S	*	*			trans	22.2	108.1	153.6	-66	-179	175.9	-177.4	0	117.7
28	Q	45.5	Very low	39.3	Very low	88 Å²	88	118.5 Å²	118.5	41%	0.411	58%	0.579	S	S	.	*			trans	-66.5	124.8	148.7	-116.3	179.4	-17.5	0	0	108.1	D32	Q28-D32 HydrophobicContact CG-CB 4.15Å
29	P	39.4	Very low	40.4	Very low	54 Å²	54	114.6 Å²	114.6	35%	0.351	57%	0.574	S	S	.	*			trans	-66.8	151.5	179.9	26.5	-32.5	0	0	0	111.5	H31 D32 R33	P29-H31 VanDerWaalsContact CB-CE1 3.42Å; P29-H31 WeakPolarHBondContact CB-CE1 2.98Å; P29-H31 WeakPolarHBondContact CG-CE1 3.49Å; P29-H31 PolarHBondContact O-N 3.23Å; P29-D32 HydrophobicContact CG-CB 4.35Å; P29-D32 WeakPolarHBondContact O-CB 3.22Å; P29-D32 PolarHBondContact O-N 3.08Å; P29-R33 PolarHBondContact O-N 2.93Å
30	F	41	Very low	41	Very low	154 Å²	154	114.1 Å²	114.1	68%	0.675	57%	0.572	S	S	*	*	H	α-helix	trans	-50.5	-33.1	-173.1	-173.8	-98.2	0	0	0	114.5	R33 L34	F30-R33 PolarHBondContact O-N 3.45Å; F30-L34 HydrophobicContact CD1-CD1 3.99Å; F30-L34 HydrophobicContact CE1-CD1 3.69Å; F30-L34 HydrophobicContact CE1-CG 4.39Å; F30-L34 PolarHBondContact O-N 3.17Å
31	H	46.5	Very low	41.7	Very low	117 Å²	117	113.2 Å²	113.2	54%	0.542	56%	0.564	S	S	.	*	H	α-helix	trans	-72.4	-30	177.7	61.1	-93.4	0	0	0	113.8	P29 R33 L34 R35	P29-H31 VanDerWaalsContact CB-CE1 3.42Å; P29-H31 WeakPolarHBondContact CB-CE1 2.98Å; P29-H31 WeakPolarHBondContact CG-CE1 3.49Å; P29-H31 PolarHBondContact O-N 3.23Å; H31-R33 VanDerWaalsContact C-N 3.32Å; H31-L34 PolarHBondContact O-N 3Å; H31-R35 PolarHBondContact O-N 2.8Å
32	D	51.2	Low	42.3	Very low	31 Å²	31	111 Å²	111	17%	0.166	56%	0.562	C	S	.	*	H	α-helix	trans	-71.5	-30.9	175	-81	-18	0	0	0	111.2	Q28 P29 R35 S36	Q28-D32 HydrophobicContact CG-CB 4.15Å; P29-D32 HydrophobicContact CG-CB 4.35Å; P29-D32 WeakPolarHBondContact O-CB 3.22Å; P29-D32 PolarHBondContact O-N 3.08Å; D32-R35 PolarHBondContact O-N 3.31Å; D32-S36 PolarHBondContact O-N 2.93Å
33	R	47.1	Very low	42.8	Very low	94 Å²	94	112.4 Å²	112.4	36%	0.355	57%	0.57	S	S	.	*	H	α-helix	trans	-66.6	-42.4	172.1	-61.9	-179.1	-171.3	-179.2	-11	111.9	P29 F30 H31 R35 S36 K37 E325	P29-R33 PolarHBondContact O-N 2.93Å; F30-R33 PolarHBondContact O-N 3.45Å; H31-R33 VanDerWaalsContact C-N 3.32Å; R33-R35 VanDerWaalsContact C-N 3.32Å; R33-S36 PolarHBondContact O-N 3.19Å; R33-K37 PolarHBondContact O-N 3.17Å; R33-E325 IonicContact CZ-OE1 3.54Å; R33-E325 IonicContact NE-OE1 3.43Å; R33-E325 PolarHBondContact NE-OE1 3.02Å; R33-E325 IonicContact NH1-OE1 3.97Å; R33-E325 PolarHBondContact NH1-OE1 2.87Å; R33-E325 IonicContact NH2-OE1 3.98Å; R33-E325 PolarHBondContact NH2-OE1 2.94Å
34	L	50	Low	43.2	Very low	74 Å²	74	114.3 Å²	114.3	39%	0.387	57%	0.569	S	S	.	*	H	α-helix	trans	-65.4	-35.3	173.7	-72.9	170.3	0	0	0	112.1	F30 H31 R38	F30-L34 HydrophobicContact CD1-CD1 3.99Å; F30-L34 HydrophobicContact CE1-CD1 3.69Å; F30-L34 HydrophobicContact CE1-CG 4.39Å; F30-L34 PolarHBondContact O-N 3.17Å; H31-L34 PolarHBondContact O-N 3Å; L34-R38 WeakPolarHBondContact O-CG 3.12Å; L34-R38 PolarHBondContact O-N 2.96Å; L34-R38 VanDerWaalsContact O-N 3.12Å
35	R	47.1	Very low	43.4	Very low	181 Å²	181	117.4 Å²	117.4	68%	0.683	58%	0.576	S	S	*	*	H	α-helix	trans	-65.7	-42.1	172	-104.6	-176.7	177.5	-153.8	-1.7	112.2	H31 D32 R33 R38 A39	H31-R35 PolarHBondContact O-N 2.8Å; D32-R35 PolarHBondContact O-N 3.31Å; R33-R35 VanDerWaalsContact C-N 3.32Å; R35-R38 PolarHBondContact O-N 3.01Å; R35-A39 WeakPolarHBondContact O-CB 3.16Å; R35-A39 PolarHBondContact O-N 3.21Å
36	S	47.5	Very low	43.6	Very low	57 Å²	57	115.5 Å²	115.5	40%	0.399	57%	0.574	S	S	.	*	H	α-helix	trans	-63.4	-40.5	175.2	179.1	0	0	0	0	112.2	D32 R33 R38 A39 N40	D32-S36 PolarHBondContact O-N 2.93Å; R33-S36 PolarHBondContact O-N 3.19Å; S36-R38 VanDerWaalsContact C-N 3.29Å; S36-R38 PolarHBondContact O-N 3.14Å; S36-A39 PolarHBondContact O-N 3.2Å; S36-N40 PolarHBondContact O-N 3.29Å
37	K	48.6	Very low	43.7	Very low	98 Å²	98	113.4 Å²	113.4	43%	0.426	57%	0.571	S	S	.	*	H	α-helix	trans	-64.1	-31	173.9	-75.1	-174	176.8	-174.5	0	113.3	R33 Y310	R33-K37 PolarHBondContact O-N 3.17Å; K37-Y310 PolarHBondContact NZ-OH 3.04Å
38	R	52.2	Low	43.4	Very low	213 Å²	213	109.2 Å²	109.2	80%	0.804	56%	0.562	S	S	*	*	H	α-helix	trans	-78.8	-31.1	174.9	-71.1	176.8	-171.3	-170.5	2.3	112.9	L34 R35 S36	L34-R38 WeakPolarHBondContact O-CG 3.12Å; L34-R38 PolarHBondContact O-N 2.96Å; L34-R38 VanDerWaalsContact O-N 3.12Å; R35-R38 PolarHBondContact O-N 3.01Å; S36-R38 VanDerWaalsContact C-N 3.29Å; S36-R38 PolarHBondContact O-N 3.14Å
39	A	50.6	Low	42.9	Very low	72 Å²	72	114.4 Å²	114.4	60%	0.595	58%	0.584	S	S	*	*	H	α-helix	trans	-85.2	-33.5	-179.4	0	0	0	0	0	112.9	R35 S36	R35-A39 WeakPolarHBondContact O-CB 3.16Å; R35-A39 PolarHBondContact O-N 3.21Å; S36-A39 PolarHBondContact O-N 3.2Å
40	N	40.8	Very low	43.1	Very low	115 Å²	115	121.8 Å²	121.8	62%	0.615	61%	0.606	S	S	*	*	S	Bend	trans	-124	76.9	177.2	-60.7	-26.5	0	0	0	108.1	S36	S36-N40 PolarHBondContact O-N 3.29Å
41	P	42.5	Very low	43.2	Very low	84 Å²	84	120.8 Å²	120.8	55%	0.545	61%	0.608	S	S	.	*			trans	-53.4	141.2	163.8	24.6	-31.3	0	0	0	107.9
42	P	42.5	Very low	42.8	Very low	83 Å²	83	124.3 Å²	124.3	54%	0.539	63%	0.625	S	S	.	*			trans	-51.7	150.6	168	24.8	-32.3	0	0	0	107.7	H44	P42-H44 PolarHBondContact O-N 3.04Å
43	P	37	Very low	42.5	Very low	112 Å²	112	127 Å²	127	73%	0.727	65%	0.651	S	S	*	*			trans	-62.3	89.1	169.8	28.5	-31.4	0	0	0	106.1	H45	P43-H45 VanDerWaalsContact C-N 3.32Å; P43-H45 PolarHBondContact O-N 3.21Å
44	H	36.7	Very low	42.4	Very low	149 Å²	149	128.4 Å²	128.4	69%	0.69	67%	0.673	S	S	*	*			trans	-53.9	115.2	151.7	-75.9	-77.3	0	0	0	102.3	P42 S46	P42-H44 PolarHBondContact O-N 3.04Å; H44-S46 PolarHBondContact O-N 3.42Å
45	H	33.2	Very low	42	Very low	174 Å²	174	131 Å²	131	81%	0.806	69%	0.692	S	S	*	*			trans	-52.8	91.8	147	-64.1	-76.4	0	0	0	104	P43 L47	P43-H45 VanDerWaalsContact C-N 3.32Å; P43-H45 PolarHBondContact O-N 3.21Å; H45-L47 PolarHBondContact O-N 3.41Å
46	S	36.8	Very low	41.5	Very low	102 Å²	102	129.3 Å²	129.3	71%	0.713	70%	0.696	S	S	*	*			trans	-57.2	100.6	157.4	50.7	0	0	0	0	101.9	H44 P48	H44-S46 PolarHBondContact O-N 3.42Å; S46-P48 VanDerWaalsContact O-N 3.12Å
47	L	38.2	Very low	41.1	Very low	146 Å²	146	133.2 Å²	133.2	76%	0.764	72%	0.718	S	S	*	*			trans	-43.3	126.9	168.5	-74.8	163.3	0	0	0	105	H45 F49	H45-L47 PolarHBondContact O-N 3.41Å; L47-F49 PolarHBondContact O-N 2.94Å
48	P	36.8	Very low	40.8	Very low	95 Å²	95	138 Å²	138	62%	0.617	74%	0.739	S	S	*	*			trans	-53.3	120.6	173.2	22.9	-29.6	0	0	0	105.3	S46 Y50	S46-P48 VanDerWaalsContact O-N 3.12Å; P48-Y50 HydrophobicContact CB-CD2 4.22Å; P48-Y50 HydrophobicContact CG-CD2 4.2Å; P48-Y50 PolarHBondContact O-N 3.15Å
49	F	35.3	Very low	40.2	Very low	197 Å²	197	133.7 Å²	133.7	86%	0.864	74%	0.739	S	S	*	*			trans	-53.1	94.9	166.4	-105.3	-98.1	0	0	0	105.7	L47	L47-F49 PolarHBondContact O-N 2.94Å
50	Y	42.6	Very low	40.2	Very low	210 Å²	210	135 Å²	135	82%	0.824	74%	0.744	S	S	*	*			trans	-94.4	98.7	166.1	-108.1	-84.5	0	0	0	104.8	P48 E52	P48-Y50 HydrophobicContact CB-CD2 4.22Å; P48-Y50 HydrophobicContact CG-CD2 4.2Å; P48-Y50 PolarHBondContact O-N 3.15Å; Y50-E52 PolarHBondContact O-N 3.44Å
51	D	44	Very low	40.8	Very low	132 Å²	132	138.9 Å²	138.9	71%	0.706	76%	0.755	S	S	*	*			trans	-52.5	121.9	161.6	-69.3	-34.3	0	0	0	108.3
52	E	37.8	Very low	41.6	Very low	192 Å²	192	143.2 Å²	143.2	90%	0.897	77%	0.768	S	S	*	*			trans	47.2	88	149.6	-57.9	-177.9	172	0	0	117.3	Y50	Y50-E52 PolarHBondContact O-N 3.44Å
53	A	44.8	Very low	42.6	Very low	86 Å²	86	142.7 Å²	142.7	71%	0.711	76%	0.763	S	S	*	*			trans	-122.8	133	147.1	0	0	0	0	0	109	T55	A53-T55 PolarHBondContact O-N 2.94Å; A53-T55 VanDerWaalsContact O-N 3.15Å
54	P	44.6	Very low	44.3	Very low	125 Å²	125	143.8 Å²	143.8	81%	0.812	76%	0.763	S	S	*	*			trans	-60.5	122.1	-174.6	-16.5	28.6	0	0	0	110.2	D56	P54-D56 VanDerWaalsContact C-N 3.33Å; P54-D56 PolarHBondContact O-N 3.29Å
55	T	41.8	Very low	46.3	Very low	129 Å²	129	139.6 Å²	139.6	79%	0.791	75%	0.745	S	S	*	*			trans	-61.4	96.2	162.1	44.1	0	0	0	0	107.6	A53	A53-T55 PolarHBondContact O-N 2.94Å; A53-T55 VanDerWaalsContact O-N 3.15Å
56	D	36.3	Very low	48.5	Very low	145 Å²	145	136.4 Å²	136.4	78%	0.775	74%	0.737	S	S	*	*	S	Bend	trans	-174.2	127.6	148.7	-86.8	-29.2	0	0	0	109.6	P54	P54-D56 VanDerWaalsContact C-N 3.33Å; P54-D56 PolarHBondContact O-N 3.29Å
57	T	38.9	Very low	50.6	Low	138 Å²	138	134.2 Å²	134.2	85%	0.847	73%	0.73	S	S	*	*			trans	73.8	55.8	164.4	64.5	0	0	0	0	119.6
58	F	43	Very low	52.8	Low	198 Å²	198	132 Å²	132	87%	0.868	72%	0.716	S	S	*	*			trans	-76.2	130.5	143.7	-77.4	-75.2	0	0	0	108.4	S60	F58-S60 VanDerWaalsContact C-N 3.33Å; F58-S60 PolarHBondContact O-N 3.17Å
59	P	40.1	Very low	55.2	Low	124 Å²	124	128.8 Å²	128.8	81%	0.805	69%	0.692	S	S	*	*			trans	-63.6	101	171.3	25.7	-29.8	0	0	0	107	K61	P59-K61 PolarHBondContact O-N 3.49Å
60	S	49.6	Very low	57.6	Low	100 Å²	100	120.9 Å²	120.9	70%	0.699	67%	0.666	S	S	*	*			trans	-60.8	106.1	170.4	66.2	0	0	0	0	105.7	F58 Q62	F58-S60 VanDerWaalsContact C-N 3.33Å; F58-S60 PolarHBondContact O-N 3.17Å; S60-Q62 PolarHBondContact O-N 3.22Å
61	K	55	Low	59.8	Low	195 Å²	195	114.9 Å²	114.9	85%	0.848	65%	0.654	S	S	*	*			trans	-51.7	117.1	169.4	-134.6	175.8	-176	-178.1	0	105.7	P59 V63	P59-K61 PolarHBondContact O-N 3.49Å; K61-V63 PolarHBondContact O-N 3.4Å
62	Q	57.5	Low	61.9	Low	176 Å²	176	109.2 Å²	109.2	82%	0.822	63%	0.625	S	S	*	*			trans	-57.8	115	175.4	-80.1	-177.2	-17.3	0	0	106	S60	S60-Q62 PolarHBondContact O-N 3.22Å
63	V	63.6	Low	64.2	Low	72 Å²	72	104.1 Å²	104.1	44%	0.436	60%	0.604	S	S	.	*			trans	-81.5	117.3	173.5	179.1	0	0	0	0	104.9	K61 I65 F81	K61-V63 PolarHBondContact O-N 3.4Å; V63-I65 WeakPolarHBondContact O-CG1 3.37Å; V63-I65 PolarHBondContact O-N 3.11Å; V63-F81 HydrophobicContact CG1-CD1 3.87Å; V63-F81 HydrophobicContact CG1-CE1 3.46Å; V63-F81 VanDerWaalsContact CG1-CE1 3.46Å
64	D	74	Confident	66.2	Low	135 Å²	135	103.5 Å²	103.5	72%	0.722	59%	0.594	S	S	*	*			trans	-65.5	101.6	172.3	-71.2	-26.9	0	0	0	107.9	V66	D64-V66 PolarHBondContact O-N 2.95Å; D64-V66 VanDerWaalsContact O-N 3.11Å
65	I	77.9	Confident	68.2	Low	60 Å²	60	101 Å²	101	31%	0.308	58%	0.579	S	S	.	*			trans	-74.8	103.5	-179.5	-53.7	171.4	0	0	0	107.2	V63 W69 K78 F81	V63-I65 WeakPolarHBondContact O-CG1 3.37Å; V63-I65 PolarHBondContact O-N 3.11Å; I65-W69 HydrophobicContact CG2-CZ2 4.04Å; I65-K78 HydrophobicContact CD1-CB 4.41Å; I65-K78 HydrophobicContact CD1-CD 4.5Å; I65-K78 HydrophobicContact CD1-CG 3.41Å; I65-K78 VanDerWaalsContact CD1-CG 3.41Å; I65-K78 HydrophobicContact CG1-CG 4.46Å; I65-F81 HydrophobicContact CG2-CB 4.14Å; I65-F81 HydrophobicContact CG2-CD2 4.15Å; I65-F81 HydrophobicContact CG2-CG 4.04Å
66	V	80.4	Confident	70.3	Confident	108 Å²	108	96.2 Å²	96.2	66%	0.655	55%	0.549	S	S	*	.			trans	-88.9	146.7	176.8	-176.9	0	0	0	0	109.7	D64 W69 F81	D64-V66 PolarHBondContact O-N 2.95Å; D64-V66 VanDerWaalsContact O-N 3.11Å; V66-W69 PolarHBondContact O-NE1 3Å; V66-W69 VanDerWaalsContact O-NE1 3.1Å; V66-F81 HydrophobicContact CB-CE2 4.44Å
67	G	79.9	Confident	72.8	Confident	55 Å²	55	91.6 Å²	91.6	57%	0.567	52%	0.522	S	S	*	.	S	Bend	trans	124.3	176.6	169.9	0	0	0	0	0	114.2	W69	G67-W69 VanDerWaalsContact C-CD1 3.42Å
68	Q	84.8	Confident	75.2	Confident	100 Å²	100	90.8 Å²	90.8	47%	0.467	51%	0.507	S	S	.	.			trans	-92.1	120.8	175.8	-67.7	179.6	-6.5	0	0	110.1	K441 S445 M446 L447	Q68-K441 PolarHBondContact O-NZ 2.93Å; Q68-K441 VanDerWaalsContact O-NZ 3.09Å; Q68-S445 WeakPolarHBondContact CB-O 3.46Å; Q68-M446 PolarHBondContact OE1-O 3.5Å; Q68-L447 HydrophobicContact CB-CD2 4.24Å; Q68-L447 HydrophobicContact CB-CG 4.37Å; Q68-L447 VanDerWaalsContact OE1-CD2 3.26Å
69	W	86.3	Confident	77.4	Confident	28 Å²	28	85.1 Å²	85.1	11%	0.106	49%	0.485	C	S	.	.			trans	-132.7	-16	-171.6	-61.9	94.3	0	0	0	114.7	I65 V66 G67 T72 K77 R80 F81 W440	I65-W69 HydrophobicContact CG2-CZ2 4.04Å; V66-W69 PolarHBondContact O-NE1 3Å; V66-W69 VanDerWaalsContact O-NE1 3.1Å; G67-W69 VanDerWaalsContact C-CD1 3.42Å; W69-T72 WeakPolarHBondContact O-CB 3.43Å; W69-T72 PolarHBondContact O-N 2.94Å; W69-T72 PolarHBondContact O-OG1 2.79Å; W69-K77 HydrophobicContact CB-CD 4.12Å; W69-K77 HydrophobicContact CB-CG 4.04Å; W69-K77 HydrophobicContact CD2-CB 4.46Å; W69-K77 HydrophobicContact CD2-CG 3.92Å; W69-K77 HydrophobicContact CE3-CB 4.12Å; W69-K77 HydrophobicContact CE3-CG 3.59Å; W69-K77 HydrophobicContact CG-CG 4.12Å; W69-K77 HydrophobicContact CZ3-CB 4.38Å; W69-K77 HydrophobicContact CZ3-CG 4.28Å; W69-R80 HydrophobicContact CZ3-CB 4.49Å; W69-F81 HydrophobicContact CH2-CB 3.9Å; W69-F81 HydrophobicContact CZ2-CB 3.85Å; W69-F81 AromaticContact CZ2-CD2 3.91Å; W69-F81 HydrophobicContact CZ2-CD2 3.91Å; W69-F81 HydrophobicContact CZ2-CG 4.35Å; W69-W440 HydrophobicContact CE3-CH2 4.32Å; W69-W440 HydrophobicContact CE3-CZ3 4.49Å; W69-W440 AromaticContact CH2-CH2 3.97Å; W69-W440 HydrophobicContact CH2-CH2 3.97Å; W69-W440 AromaticContact CZ3-CH2 3.43Å; W69-W440 HydrophobicContact CZ3-CH2 3.43Å; W69-W440 VanDerWaalsContact CZ3-CH2 3.43Å; W69-W440 AromaticContact CZ3-CZ3 3.82Å; W69-W440 HydrophobicContact CZ3-CZ3 3.82Å
70	G	87.2	Confident	79.8	Confident	31 Å²	31	80 Å²	80	32%	0.32	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	-140.2	-177.8	0	0	0	0	0	113.2	T72 K77	G70-T72 VanDerWaalsContact C-N 3.26Å; G70-T72 PolarHBondContact O-N 3.21Å; G70-K77 WeakPolarHBondContact O-CE 3.25Å; G70-K77 PolarHBondContact O-NZ 3.38Å
71	S	88.8	Confident	81.7	Confident	83 Å²	83	76.6 Å²	76.6	58%	0.58	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	8.7	177.6	61.5	0	0	0	0	114.8	D73 A442 D444	S71-D73 PolarHBondContact O-N 3.04Å; S71-A442 VanDerWaalsContact OG-CB 3.27Å; S71-A442 WeakPolarHBondContact OG-CB 3.4Å; S71-D444 WeakPolarHBondContact CB-OD1 3.07Å; S71-D444 WeakPolarHBondContact CB-OD2 3.45Å; S71-D444 PolarHBondContact N-OD1 2.91Å; S71-D444 PolarHBondContact N-OD2 2.82Å; S71-D444 PolarHBondContact OG-OD1 3.45Å; S71-D444 PolarHBondContact OG-OD2 3.17Å
72	T	86.8	Confident	83.5	Confident	13 Å²	13	74.4 Å²	74.4	8%	0.08	41%	0.409	C	S	.	.			trans	-52.2	140.7	175.3	-51.6	0	0	0	0	110.5	W69 G70 I76 K77 A442	W69-T72 WeakPolarHBondContact O-CB 3.43Å; W69-T72 PolarHBondContact O-N 2.94Å; W69-T72 PolarHBondContact O-OG1 2.79Å; G70-T72 VanDerWaalsContact C-N 3.26Å; G70-T72 PolarHBondContact O-N 3.21Å; T72-I76 HydrophobicContact CG2-CB 4.34Å; T72-I76 HydrophobicContact CG2-CG2 3.97Å; T72-K77 HydrophobicContact CG2-CG 4.12Å; T72-K77 WeakPolarHBondContact O-CD 3.11Å; T72-K77 WeakPolarHBondContact O-CE 3.42Å; T72-K77 PolarHBondContact O-NZ 2.98Å; T72-A442 PolarHBondContact OG1-N 3.44Å
73	D	87.2	Confident	85.1	Confident	85 Å²	85	67.4 Å²	67.4	46%	0.455	38%	0.376	S	S	.	.			trans	-59.4	142.4	-177.1	-178.3	28.2	0	0	0	112	S71 S75 I76 K77	S71-D73 PolarHBondContact O-N 3.04Å; D73-S75 VanDerWaalsContact C-N 3.27Å; D73-S75 PolarHBondContact O-N 3.34Å; D73-S75 WeakPolarHBondContact OD2-CB 3.16Å; D73-S75 PolarHBondContact OD2-OG 2.82Å; D73-I76 HydrophobicContact CB-CB 4.41Å; D73-I76 HydrophobicContact CB-CD1 4.06Å; D73-I76 HydrophobicContact CB-CG1 4.22Å; D73-I76 PolarHBondContact O-N 2.94Å; D73-K77 WeakPolarHBondContact O-CB 3.22Å; D73-K77 VanDerWaalsContact O-CG 3.25Å; D73-K77 WeakPolarHBondContact O-CG 3.11Å; D73-K77 PolarHBondContact O-N 2.71Å
74	S	86	Confident	86.3	Confident	74 Å²	74	64.1 Å²	64.1	52%	0.517	36%	0.357	S	S	.	.	H	α-helix	trans	-61.4	-32.2	-177.7	69.2	0	0	0	0	113.4	K78	S74-K78 WeakPolarHBondContact O-CG 3.12Å; S74-K78 PolarHBondContact O-N 2.99Å
75	S	86.6	Confident	87.2	Confident	71 Å²	71	61.4 Å²	61.4	50%	0.497	34%	0.339	S	S	.	.	H	α-helix	trans	-69.3	-49.7	177.3	74.7	0	0	0	0	110.8	D73 K78 L79	D73-S75 VanDerWaalsContact C-N 3.27Å; D73-S75 PolarHBondContact O-N 3.34Å; D73-S75 WeakPolarHBondContact OD2-CB 3.16Å; D73-S75 PolarHBondContact OD2-OG 2.82Å; S75-K78 PolarHBondContact O-N 3.37Å; S75-L79 PolarHBondContact O-N 3.4Å
76	I	86.8	Confident	87.9	Confident	30 Å²	30	63 Å²	63	15%	0.154	34%	0.344	C	S	.	.	H	α-helix	trans	-60.6	-46.7	176.3	-63.2	176.2	0	0	0	110.6	T72 D73 K78 L79 R80 E255 W440	T72-I76 HydrophobicContact CG2-CB 4.34Å; T72-I76 HydrophobicContact CG2-CG2 3.97Å; D73-I76 HydrophobicContact CB-CB 4.41Å; D73-I76 HydrophobicContact CB-CD1 4.06Å; D73-I76 HydrophobicContact CB-CG1 4.22Å; D73-I76 PolarHBondContact O-N 2.94Å; I76-K78 VanDerWaalsContact C-N 3.34Å; I76-K78 PolarHBondContact O-N 2.76Å; I76-L79 PolarHBondContact O-N 3.24Å; I76-R80 HydrophobicContact CG2-CG 3.99Å; I76-R80 WeakPolarHBondContact O-CB 3.47Å; I76-R80 WeakPolarHBondContact O-CG 3.24Å; I76-R80 PolarHBondContact O-N 2.68Å; I76-E255 HydrophobicContact CD1-CB 3.97Å; I76-E255 HydrophobicContact CD1-CG 3.98Å; I76-E255 HydrophobicContact CG1-CG 4.23Å; I76-E255 WeakPolarHBondContact CG2-OE1 3.43Å; I76-W440 HydrophobicContact CG2-CZ3 4.31Å
77	K	88.9	Confident	88.4	Confident	47 Å²	47	57.8 Å²	57.8	20%	0.204	31%	0.313	C	S	.	.	H	α-helix	trans	-49.9	-52.5	175.1	-80.7	165.7	164.5	155.1	0	111.6	W69 G70 T72 D73 F81	W69-K77 HydrophobicContact CB-CD 4.12Å; W69-K77 HydrophobicContact CB-CG 4.04Å; W69-K77 HydrophobicContact CD2-CB 4.46Å; W69-K77 HydrophobicContact CD2-CG 3.92Å; W69-K77 HydrophobicContact CE3-CB 4.12Å; W69-K77 HydrophobicContact CE3-CG 3.59Å; W69-K77 HydrophobicContact CG-CG 4.12Å; W69-K77 HydrophobicContact CZ3-CB 4.38Å; W69-K77 HydrophobicContact CZ3-CG 4.28Å; G70-K77 WeakPolarHBondContact O-CE 3.25Å; G70-K77 PolarHBondContact O-NZ 3.38Å; T72-K77 HydrophobicContact CG2-CG 4.12Å; T72-K77 WeakPolarHBondContact O-CD 3.11Å; T72-K77 WeakPolarHBondContact O-CE 3.42Å; T72-K77 PolarHBondContact O-NZ 2.98Å; D73-K77 WeakPolarHBondContact O-CB 3.22Å; D73-K77 VanDerWaalsContact O-CG 3.25Å; D73-K77 WeakPolarHBondContact O-CG 3.11Å; D73-K77 PolarHBondContact O-N 2.71Å; K77-F81 WeakPolarHBondContact O-CB 3.4Å; K77-F81 PolarHBondContact O-N 3.12Å
78	K	89.2	Confident	88.9	Confident	121 Å²	121	59.2 Å²	59.2	53%	0.526	30%	0.303	S	S	.	.	H	α-helix	trans	-63.7	-45.6	-179.9	-76.7	173.6	-178	177.4	0	112.1	I65 S74 S75 I76 R82	I65-K78 HydrophobicContact CD1-CB 4.41Å; I65-K78 HydrophobicContact CD1-CD 4.5Å; I65-K78 HydrophobicContact CD1-CG 3.41Å; I65-K78 VanDerWaalsContact CD1-CG 3.41Å; I65-K78 HydrophobicContact CG1-CG 4.46Å; S74-K78 WeakPolarHBondContact O-CG 3.12Å; S74-K78 PolarHBondContact O-N 2.99Å; S75-K78 PolarHBondContact O-N 3.37Å; I76-K78 VanDerWaalsContact C-N 3.34Å; I76-K78 PolarHBondContact O-N 2.76Å; K78-R82 WeakPolarHBondContact O-CG 3.43Å; K78-R82 PolarHBondContact O-N 3.22Å
79	L	89.5	Confident	89.1	Confident	79 Å²	79	59.3 Å²	59.3	41%	0.414	31%	0.311	S	S	.	.	H	α-helix	trans	-63.7	-52.9	-178	-178.1	64.5	0	0	0	111.2	S75 I76 F81 R82 H83	S75-L79 PolarHBondContact O-N 3.4Å; I76-L79 PolarHBondContact O-N 3.24Å; L79-F81 PolarHBondContact O-N 3.34Å; L79-R82 WeakPolarHBondContact O-CB 3.49Å; L79-R82 PolarHBondContact O-N 3.44Å; L79-R82 VanDerWaalsContact O-N 3.15Å; L79-H83 PolarHBondContact O-CD2 3.48Å; L79-H83 VanDerWaalsContact O-CD2 3.23Å; L79-H83 PolarHBondContact O-N 3Å
80	R	89.3	Confident	89.3	Confident	16 Å²	16	58.7 Å²	58.7	6%	0.06	31%	0.31	C	S	.	.	H	α-helix	trans	-73	-29.2	-175.6	-59.1	-44.9	-168.4	177.9	-1.3	113	W69 I76 R82 H83 G84 L103 K226 E255 Y407 W440	W69-R80 HydrophobicContact CZ3-CB 4.49Å; I76-R80 HydrophobicContact CG2-CG 3.99Å; I76-R80 WeakPolarHBondContact O-CB 3.47Å; I76-R80 WeakPolarHBondContact O-CG 3.24Å; I76-R80 PolarHBondContact O-N 2.68Å; R80-R82 VanDerWaalsContact C-N 3.35Å; R80-H83 PolarHBondContact NH1-CE1 2.96Å; R80-H83 PolarHBondContact NH1-ND1 3.3Å; R80-H83 VanDerWaalsContact NH1-ND1 3.18Å; R80-H83 PolarHBondContact O-N 2.66Å; R80-G84 PolarHBondContact O-N 3.34Å; R80-L103 PolarHBondContact NH1-O 2.93Å; R80-K226 VanDerWaalsContact NH2-NZ 3.16Å; R80-E255 IonicContact CZ-OE1 3.11Å; R80-E255 IonicContact CZ-OE2 2.68Å; R80-E255 VanDerWaalsContact NE-CD 3.26Å; R80-E255 IonicContact NE-OE1 3.5Å; R80-E255 PolarHBondContact NE-OE1 3.15Å; R80-E255 IonicContact NE-OE2 2.74Å; R80-E255 PolarHBondContact NE-OE2 2.99Å; R80-E255 VanDerWaalsContact NE-OE2 3.11Å; R80-E255 IonicContact NH2-OE1 3.14Å; R80-E255 PolarHBondContact NH2-OE1 2.86Å; R80-E255 IonicContact NH2-OE2 3.25Å; R80-E255 PolarHBondContact NH2-OE2 3.21Å; R80-Y407 HydrophobicContact CB-CD1 3.91Å; R80-Y407 HydrophobicContact CB-CE1 3.81Å; R80-Y407 VanDerWaalsContact CD-CE1 3.46Å; R80-Y407 HydrophobicContact CG-CD1 4.39Å; R80-Y407 HydrophobicContact CG-CE1 3.78Å; R80-Y407 PolarHBondContact NE-OH 3.18Å; R80-Y407 PolarHBondContact NH1-OH 3.11Å; R80-W440 HydrophobicContact CB-CH2 3.46Å; R80-W440 VanDerWaalsContact CB-CH2 3.46Å; R80-W440 HydrophobicContact CB-CZ2 4.28Å; R80-W440 HydrophobicContact CB-CZ3 3.74Å; R80-W440 HydrophobicContact CG-CE3 4.45Å; R80-W440 HydrophobicContact CG-CH2 4.02Å; R80-W440 HydrophobicContact CG-CZ3 3.81Å
81	F	90.5	Very high	89.2	Confident	30 Å²	30	59.6 Å²	59.6	13%	0.132	31%	0.31	C	S	.	.	H	α-helix	trans	-60.8	-44.7	168.1	-178.2	-101.5	0	0	0	111.2	V63 I65 V66 W69 K77 L79 H83 G84 E85	V63-F81 HydrophobicContact CG1-CD1 3.87Å; V63-F81 HydrophobicContact CG1-CE1 3.46Å; V63-F81 VanDerWaalsContact CG1-CE1 3.46Å; I65-F81 HydrophobicContact CG2-CB 4.14Å; I65-F81 HydrophobicContact CG2-CD2 4.15Å; I65-F81 HydrophobicContact CG2-CG 4.04Å; V66-F81 HydrophobicContact CB-CE2 4.44Å; W69-F81 HydrophobicContact CH2-CB 3.9Å; W69-F81 HydrophobicContact CZ2-CB 3.85Å; W69-F81 AromaticContact CZ2-CD2 3.91Å; W69-F81 HydrophobicContact CZ2-CD2 3.91Å; W69-F81 HydrophobicContact CZ2-CG 4.35Å; K77-F81 WeakPolarHBondContact O-CB 3.4Å; K77-F81 PolarHBondContact O-N 3.12Å; L79-F81 PolarHBondContact O-N 3.34Å; F81-H83 VanDerWaalsContact C-N 3.34Å; F81-H83 PolarHBondContact O-N 2.88Å; F81-G84 PolarHBondContact O-N 3.39Å; F81-E85 HydrophobicContact CD1-CG 4.17Å; F81-E85 HydrophobicContact CE1-CG 3.74Å; F81-E85 HydrophobicContact CE2-CG 4.36Å; F81-E85 HydrophobicContact CZ-CG 3.87Å; F81-E85 WeakPolarHBondContact O-CG 3.27Å; F81-E85 PolarHBondContact O-N 3.25Å
82	R	91.1	Very high	89.1	Confident	149 Å²	149	56.8 Å²	56.8	56%	0.562	29%	0.289	S	S	*	.	H	α-helix	trans	-61.9	-40.2	175.3	-71.7	174.6	178.4	-177.6	-0.5	112.3	K78 L79 R80 E85 F86	K78-R82 WeakPolarHBondContact O-CG 3.43Å; K78-R82 PolarHBondContact O-N 3.22Å; L79-R82 WeakPolarHBondContact O-CB 3.49Å; L79-R82 PolarHBondContact O-N 3.44Å; L79-R82 VanDerWaalsContact O-N 3.15Å; R80-R82 VanDerWaalsContact C-N 3.35Å; R82-E85 PolarHBondContact O-N 3.08Å; R82-F86 WeakPolarHBondContact O-CB 3.48Å; R82-F86 PolarHBondContact O-N 2.84Å
83	H	91.3	Very high	89	Confident	29 Å²	29	56.6 Å²	56.6	13%	0.134	29%	0.288	C	S	.	.	H	α-helix	trans	-60.2	-46.5	174.5	-70.7	-161.1	0	0	0	111	L79 R80 F81 E85 F86 L87 L103 Y407	L79-H83 PolarHBondContact O-CD2 3.48Å; L79-H83 VanDerWaalsContact O-CD2 3.23Å; L79-H83 PolarHBondContact O-N 3Å; R80-H83 PolarHBondContact NH1-CE1 2.96Å; R80-H83 PolarHBondContact NH1-ND1 3.3Å; R80-H83 VanDerWaalsContact NH1-ND1 3.18Å; R80-H83 PolarHBondContact O-N 2.66Å; F81-H83 VanDerWaalsContact C-N 3.34Å; F81-H83 PolarHBondContact O-N 2.88Å; H83-E85 PolarHBondContact O-N 3.31Å; H83-F86 PolarHBondContact O-N 3.49Å; H83-L87 WeakPolarHBondContact O-CB 3.38Å; H83-L87 VanDerWaalsContact O-CG 3.31Å; H83-L87 WeakPolarHBondContact O-CG 3.22Å; H83-L87 PolarHBondContact O-N 3.02Å; H83-L103 HydrophobicContact CB-CD1 4.12Å; H83-Y407 HydrophobicContact CB-CD2 4.07Å; H83-Y407 HydrophobicContact CB-CE2 4.27Å; H83-Y407 HydrophobicContact CB-CG 4.25Å
84	G	90.7	Very high	88.8	Confident	3 Å²	3	54.4 Å²	54.4	3%	0.031	28%	0.275	C	S	.	.	H	α-helix	trans	-60.6	-43.7	176.7	0	0	0	0	0	113.2	R80 F81 L87 K88 N408	R80-G84 PolarHBondContact O-N 3.34Å; F81-G84 PolarHBondContact O-N 3.39Å; G84-L87 PolarHBondContact O-N 2.7Å; G84-K88 WeakPolarHBondContact O-CG 3.46Å; G84-K88 PolarHBondContact O-N 3.15Å; G84-K88 VanDerWaalsContact O-N 3.16Å; G84-N408 PolarHBondContact O-ND2 3.03Å
85	E	91.4	Very high	88.7	Confident	77 Å²	77	54.7 Å²	54.7	36%	0.36	27%	0.268	S	S	.	.	H	α-helix	trans	-65.9	-41	175.9	-70	-57.6	115.5	0	0	112	F81 R82 H83 K88	F81-E85 HydrophobicContact CD1-CG 4.17Å; F81-E85 HydrophobicContact CE1-CG 3.74Å; F81-E85 HydrophobicContact CE2-CG 4.36Å; F81-E85 HydrophobicContact CZ-CG 3.87Å; F81-E85 WeakPolarHBondContact O-CG 3.27Å; F81-E85 PolarHBondContact O-N 3.25Å; R82-E85 PolarHBondContact O-N 3.08Å; H83-E85 PolarHBondContact O-N 3.31Å; E85-K88 WeakPolarHBondContact O-CB 3.33Å; E85-K88 PolarHBondContact O-N 3.06Å; E85-K88 IonicContact OE1-NZ 2.8Å; E85-K88 PolarHBondContact OE1-NZ 3.32Å
86	F	92.1	Very high	88.7	Confident	93 Å²	93	51.4 Å²	51.4	41%	0.408	25%	0.245	S	C	.	.	H	α-helix	trans	-61.1	-48.3	174.9	176.7	-108.4	0	0	0	111.5	R82 H83 K88 T89 I90 E99 L103	R82-F86 WeakPolarHBondContact O-CB 3.48Å; R82-F86 PolarHBondContact O-N 2.84Å; H83-F86 PolarHBondContact O-N 3.49Å; F86-K88 PolarHBondContact O-N 3.36Å; F86-T89 WeakPolarHBondContact O-CB 3.48Å; F86-T89 PolarHBondContact O-N 3.01Å; F86-T89 PolarHBondContact O-OG1 2.71Å; F86-I90 HydrophobicContact CE1-CD1 4.2Å; F86-E99 HydrophobicContact CE1-CB 4.41Å; F86-E99 HydrophobicContact CE1-CG 4.39Å; F86-L103 HydrophobicContact CD1-CD1 4.3Å
87	L	90.9	Very high	88.6	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-63.4	-24.9	178.7	-70.5	173.4	0	0	0	113.3	H83 G84 T89 I90 K96 E99 L100 L103 T405 Y407	H83-L87 WeakPolarHBondContact O-CB 3.38Å; H83-L87 VanDerWaalsContact O-CG 3.31Å; H83-L87 WeakPolarHBondContact O-CG 3.22Å; H83-L87 PolarHBondContact O-N 3.02Å; G84-L87 PolarHBondContact O-N 2.7Å; L87-T89 VanDerWaalsContact C-N 3.29Å; L87-I90 HydrophobicContact CD2-CD1 3.85Å; L87-K96 WeakPolarHBondContact O-CE 3.36Å; L87-K96 PolarHBondContact O-NZ 2.95Å; L87-E99 HydrophobicContact CD2-CB 4Å; L87-L100 HydrophobicContact CD1-CD1 4Å; L87-L103 HydrophobicContact CD1-CD1 4.06Å; L87-L103 HydrophobicContact CD2-CD1 3.93Å; L87-L103 HydrophobicContact CG-CD1 3.91Å; L87-T405 HydrophobicContact CD1-CG2 4.23Å; L87-Y407 HydrophobicContact CD1-CD2 3.77Å
88	K	90.8	Very high	88.2	Confident	84 Å²	84	51.2 Å²	51.2	37%	0.365	24%	0.244	S	C	.	.	H	α-helix	trans	-68.2	-27.5	171.6	-73.1	172.5	-173.7	173.8	0	112.8	G84 E85 F86 I90 N408 Y503	G84-K88 WeakPolarHBondContact O-CG 3.46Å; G84-K88 PolarHBondContact O-N 3.15Å; G84-K88 VanDerWaalsContact O-N 3.16Å; E85-K88 WeakPolarHBondContact O-CB 3.33Å; E85-K88 PolarHBondContact O-N 3.06Å; E85-K88 IonicContact OE1-NZ 2.8Å; E85-K88 PolarHBondContact OE1-NZ 3.32Å; F86-K88 PolarHBondContact O-N 3.36Å; K88-I90 VanDerWaalsContact C-N 3.28Å; K88-I90 PolarHBondContact O-N 3.44Å; K88-N408 WeakPolarHBondContact CE-ND2 3.4Å; K88-Y503 HydrophobicContact CD-CD1 4.41Å; K88-Y503 HydrophobicContact CD-CE1 4.48Å; K88-Y503 HydrophobicContact CG-CD1 3.97Å; K88-Y503 HydrophobicContact CG-CE1 4.46Å
89	T	90.5	Very high	88.1	Confident	102 Å²	102	48.5 Å²	48.5	63%	0.626	23%	0.233	S	C	*	.	H	α-helix	trans	-73.3	-21.2	180	69.8	0	0	0	0	113.3	F86 L87	F86-T89 WeakPolarHBondContact O-CB 3.48Å; F86-T89 PolarHBondContact O-N 3.01Å; F86-T89 PolarHBondContact O-OG1 2.71Å; L87-T89 VanDerWaalsContact C-N 3.29Å
90	I	89.3	Confident	87.9	Confident	16 Å²	16	44.7 Å²	44.7	8%	0.082	21%	0.214	C	C	.	.			trans	-78.2	129.9	-178.2	-58.6	169.3	0	0	0	109.5	F86 L87 K88 E95 K96 E99	F86-I90 HydrophobicContact CE1-CD1 4.2Å; L87-I90 HydrophobicContact CD2-CD1 3.85Å; K88-I90 VanDerWaalsContact C-N 3.28Å; K88-I90 PolarHBondContact O-N 3.44Å; I90-E95 HydrophobicContact CG2-CB 3.38Å; I90-K96 HydrophobicContact CB-CG 3.68Å; I90-K96 HydrophobicContact CD1-CG 4.34Å; I90-K96 HydrophobicContact CG2-CB 4.48Å; I90-K96 HydrophobicContact CG2-CG 3.68Å; I90-K96 WeakPolarHBondContact O-CE 3.29Å; I90-E99 HydrophobicContact CD1-CB 3.64Å; I90-E99 HydrophobicContact CD1-CG 3.51Å
91	P	85.8	Confident	87.4	Confident	49 Å²	49	44.2 Å²	44.2	32%	0.318	21%	0.212	S	C	.	.			trans	-78.9	-36.2	-171.1	29.9	-35.3	0	0	0	113.6	A505 D506	P91-A505 HydrophobicContact CB-CB 3.97Å; P91-A505 PolarHBondContact O-N 2.63Å; P91-D506 WeakPolarHBondContact O-CB 3.34Å; P91-D506 PolarHBondContact O-N 3.49Å
92	T	85.3	Confident	86.9	Confident	25 Å²	25	46.6 Å²	46.6	15%	0.153	22%	0.223	C	C	.	.			trans	-102.2	146.9	-170.4	75.6	0	0	0	0	112.1	F94 E95 K96 D506	T92-F94 PolarHBondContact O-N 2.87Å; T92-E95 WeakPolarHBondContact CG2-OE2 3.25Å; T92-E95 WeakPolarHBondContact OG1-CB 3.31Å; T92-E95 WeakPolarHBondContact OG1-CG 3.34Å; T92-E95 PolarHBondContact OG1-N 2.86Å; T92-E95 PolarHBondContact OG1-OE2 3.42Å; T92-K96 WeakPolarHBondContact O-CB 3.43Å; T92-K96 VanDerWaalsContact O-CG 3.27Å; T92-K96 WeakPolarHBondContact O-CG 3.45Å; T92-K96 PolarHBondContact O-N 3.4Å; T92-K96 VanDerWaalsContact O-N 3.12Å; T92-D506 VanDerWaalsContact CA-OD2 3.31Å; T92-D506 WeakPolarHBondContact CA-OD2 3.2Å; T92-D506 WeakPolarHBondContact CB-OD2 3.12Å; T92-D506 VanDerWaalsContact CG2-CG 3.46Å; T92-D506 WeakPolarHBondContact CG2-OD1 3.27Å; T92-D506 WeakPolarHBondContact CG2-OD2 3.33Å
93	S	84.7	Confident	86.5	Confident	8 Å²	8	41.1 Å²	41.1	6%	0.056	21%	0.205	C	C	.	.	H	α-helix	trans	-63.8	-33.8	173.4	60	0	0	0	0	111.8	L97	S93-L97 VanDerWaalsContact O-CG 3.31Å; S93-L97 WeakPolarHBondContact O-CG 3.34Å; S93-L97 PolarHBondContact O-N 3.37Å; S93-L97 VanDerWaalsContact O-N 3.11Å
94	F	83.1	Confident	85.9	Confident	39 Å²	39	40.4 Å²	40.4	17%	0.171	20%	0.202	C	C	.	.	H	α-helix	trans	-60.8	-53.5	177.8	174.1	-86.6	0	0	0	112	T92 K96 L97 H98 C314 T337 P338	T92-F94 PolarHBondContact O-N 2.87Å; F94-K96 VanDerWaalsContact C-N 3.33Å; F94-K96 PolarHBondContact O-N 3Å; F94-L97 PolarHBondContact O-N 2.94Å; F94-H98 PolarHBondContact O-N 3.41Å; F94-H98 VanDerWaalsContact O-N 3.16Å; F94-C314 HydrophobicContact CD2-CB 4.06Å; F94-C314 WeakPolarHBondContact CD2-SG 3.11Å; F94-C314 HydrophobicContact CE2-CB 4.14Å; F94-C314 WeakPolarHBondContact CE2-SG 3.12Å; F94-T337 HydrophobicContact CD2-CG2 3.72Å; F94-T337 HydrophobicContact CE2-CG2 4.17Å; F94-P338 HydrophobicContact CD1-CG 4.01Å; F94-P338 HydrophobicContact CE1-CG 3.88Å; F94-P338 HydrophobicContact CG-CG 4.46Å; F94-P338 HydrophobicContact CZ-CG 4.17Å
95	E	84.6	Confident	85	Confident	81 Å²	81	46.4 Å²	46.4	38%	0.379	23%	0.233	S	C	.	.	H	α-helix	trans	-66.5	-38.1	-179.8	-69	161.8	167	0	0	110.6	I90 T92 L97 H98 E99	I90-E95 HydrophobicContact CG2-CB 3.38Å; T92-E95 WeakPolarHBondContact CG2-OE2 3.25Å; T92-E95 WeakPolarHBondContact OG1-CB 3.31Å; T92-E95 WeakPolarHBondContact OG1-CG 3.34Å; T92-E95 PolarHBondContact OG1-N 2.86Å; T92-E95 PolarHBondContact OG1-OE2 3.42Å; E95-L97 VanDerWaalsContact C-N 3.34Å; E95-L97 PolarHBondContact O-N 3.4Å; E95-H98 WeakPolarHBondContact O-CB 3.38Å; E95-H98 PolarHBondContact O-N 3.17Å; E95-E99 WeakPolarHBondContact O-CB 3.25Å; E95-E99 WeakPolarHBondContact O-CG 3.21Å; E95-E99 PolarHBondContact O-N 2.79Å
96	K	88	Confident	83.6	Confident	1 Å²	1	45.8 Å²	45.8	0%	0.004	23%	0.232	C	C	.	.	H	α-helix	trans	-57.5	-45.8	176.4	-79.7	176.4	-177.6	-124.8	0	112.9	L87 I90 T92 F94 H98 E99 L100 Y503 L504	L87-K96 WeakPolarHBondContact O-CE 3.36Å; L87-K96 PolarHBondContact O-NZ 2.95Å; I90-K96 HydrophobicContact CB-CG 3.68Å; I90-K96 HydrophobicContact CD1-CG 4.34Å; I90-K96 HydrophobicContact CG2-CB 4.48Å; I90-K96 HydrophobicContact CG2-CG 3.68Å; I90-K96 WeakPolarHBondContact O-CE 3.29Å; T92-K96 WeakPolarHBondContact O-CB 3.43Å; T92-K96 VanDerWaalsContact O-CG 3.27Å; T92-K96 WeakPolarHBondContact O-CG 3.45Å; T92-K96 PolarHBondContact O-N 3.4Å; T92-K96 VanDerWaalsContact O-N 3.12Å; F94-K96 VanDerWaalsContact C-N 3.33Å; F94-K96 PolarHBondContact O-N 3Å; K96-H98 VanDerWaalsContact C-N 3.33Å; K96-E99 PolarHBondContact O-N 2.96Å; K96-L100 VanDerWaalsContact O-CB 3.24Å; K96-L100 WeakPolarHBondContact O-CB 3.33Å; K96-L100 PolarHBondContact O-N 3.34Å; K96-Y503 VanDerWaalsContact CE-O 3.24Å; K96-Y503 WeakPolarHBondContact CE-O 3.36Å; K96-Y503 PolarHBondContact NZ-O 3.36Å; K96-L504 HydrophobicContact CD-CD2 3.78Å
97	L	83.7	Confident	82.5	Confident	9 Å²	9	43.1 Å²	43.1	5%	0.047	22%	0.221	C	C	.	.	H	α-helix	trans	-71.5	-32.8	-178.8	-66.4	173.3	0	0	0	112	S93 F94 E95 L100 Y101 F312 Y400	S93-L97 VanDerWaalsContact O-CG 3.31Å; S93-L97 WeakPolarHBondContact O-CG 3.34Å; S93-L97 PolarHBondContact O-N 3.37Å; S93-L97 VanDerWaalsContact O-N 3.11Å; F94-L97 PolarHBondContact O-N 2.94Å; E95-L97 VanDerWaalsContact C-N 3.34Å; E95-L97 PolarHBondContact O-N 3.4Å; L97-L100 HydrophobicContact CD2-CD2 4.31Å; L97-Y101 PolarHBondContact O-N 2.98Å; L97-F312 HydrophobicContact CB-CD1 4.33Å; L97-F312 HydrophobicContact CB-CE1 3.48Å; L97-F312 VanDerWaalsContact CB-CE1 3.48Å; L97-F312 HydrophobicContact CB-CE2 3.76Å; L97-F312 HydrophobicContact CB-CZ 3.19Å; L97-F312 HydrophobicContact CD1-CZ 3.8Å; L97-F312 HydrophobicContact CG-CZ 4.08Å; L97-Y400 HydrophobicContact CD2-CD2 3.29Å; L97-Y400 HydrophobicContact CD2-CE2 3.97Å; L97-Y400 HydrophobicContact CD2-CG 3.9Å
98	H	81.6	Confident	81.5	Confident	64 Å²	64	47.8 Å²	47.8	30%	0.296	24%	0.239	S	C	.	.	H	α-helix	trans	-64.4	-46.9	172.2	-172.3	-89.3	0	0	0	111.6	F94 E95 K96 Y101 H102 F312	F94-H98 PolarHBondContact O-N 3.41Å; F94-H98 VanDerWaalsContact O-N 3.16Å; E95-H98 WeakPolarHBondContact O-CB 3.38Å; E95-H98 PolarHBondContact O-N 3.17Å; K96-H98 VanDerWaalsContact C-N 3.33Å; H98-Y101 WeakPolarHBondContact O-CB 3.36Å; H98-Y101 PolarHBondContact O-N 3.42Å; H98-H102 AromaticContact CE1-CD2 3.63Å; H98-H102 AromaticContact CE1-NE2 3.01Å; H98-H102 PolarHBondContact CE1-NE2 2.86Å; H98-H102 AromaticContact ND1-CD2 3.61Å; H98-H102 AromaticContact ND1-NE2 3.51Å; H98-H102 AromaticContact NE2-NE2 3.76Å; H98-H102 PolarHBondContact O-CD2 3.05Å; H98-H102 PolarHBondContact O-N 3.32Å; H98-F312 HydrophobicContact CB-CD1 4.16Å
99	E	86.4	Confident	81.1	Confident	64 Å²	64	44.2 Å²	44.2	30%	0.299	22%	0.223	S	C	.	.	H	α-helix	trans	-66.7	-39.4	175.9	-71.8	-56.4	139.2	0	0	112.3	F86 L87 I90 E95 K96 Y101 H102 L103	F86-E99 HydrophobicContact CE1-CB 4.41Å; F86-E99 HydrophobicContact CE1-CG 4.39Å; L87-E99 HydrophobicContact CD2-CB 4Å; I90-E99 HydrophobicContact CD1-CB 3.64Å; I90-E99 HydrophobicContact CD1-CG 3.51Å; E95-E99 WeakPolarHBondContact O-CB 3.25Å; E95-E99 WeakPolarHBondContact O-CG 3.21Å; E95-E99 PolarHBondContact O-N 2.79Å; K96-E99 PolarHBondContact O-N 2.96Å; E99-Y101 PolarHBondContact O-N 2.9Å; E99-H102 PolarHBondContact O-N 2.85Å; E99-L103 WeakPolarHBondContact O-CG 3.49Å; E99-L103 PolarHBondContact O-N 2.79Å
100	L	85	Confident	80.9	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-55.5	-40.5	175	179.2	63.6	0	0	0	111.3	L87 K96 L97 L103 E104 F224 Y400 Y407	L87-L100 HydrophobicContact CD1-CD1 4Å; K96-L100 VanDerWaalsContact O-CB 3.24Å; K96-L100 WeakPolarHBondContact O-CB 3.33Å; K96-L100 PolarHBondContact O-N 3.34Å; L97-L100 HydrophobicContact CD2-CD2 4.31Å; L100-L103 PolarHBondContact O-N 2.92Å; L100-E104 WeakPolarHBondContact O-CG 3.44Å; L100-E104 PolarHBondContact O-N 3.28Å; L100-F224 HydrophobicContact CD2-CE2 3.81Å; L100-F224 HydrophobicContact CD2-CZ 3.77Å; L100-F224 HydrophobicContact CG-CE2 4.22Å; L100-F224 HydrophobicContact CG-CZ 4.34Å; L100-Y400 HydrophobicContact CD2-CE2 3.96Å; L100-Y407 HydrophobicContact CD1-CD2 3.71Å; L100-Y407 HydrophobicContact CD1-CE2 3.54Å
101	Y	78.6	Confident	80.8	Confident	6 Å²	6	39.2 Å²	39.2	2%	0.024	19%	0.193	C	C	.	.	H	α-helix	trans	-65.1	-39.3	177.3	176.5	-100.6	0	0	0	112.8	L97 H98 E99 E104 N106 C309 Y310 N311 F312 A327	L97-Y101 PolarHBondContact O-N 2.98Å; H98-Y101 WeakPolarHBondContact O-CB 3.36Å; H98-Y101 PolarHBondContact O-N 3.42Å; E99-Y101 PolarHBondContact O-N 2.9Å; Y101-E104 PolarHBondContact O-N 3.32Å; Y101-N106 WeakPolarHBondContact CE1-OD1 3.27Å; Y101-N106 WeakPolarHBondContact OH-CB 3.4Å; Y101-N106 VanDerWaalsContact OH-CG 3.31Å; Y101-N106 PolarHBondContact OH-OD1 3.23Å; Y101-C309 PolarHBondContact OH-O 3.21Å; Y101-Y310 VanDerWaalsContact OH-CA 3.28Å; Y101-Y310 WeakPolarHBondContact OH-CA 3.46Å; Y101-Y310 PolarHBondContact OH-O 3Å; Y101-Y310 VanDerWaalsContact OH-O 3.13Å; Y101-N311 PolarHBondContact OH-N 3.03Å; Y101-F312 HydrophobicContact CD1-CB 3.85Å; Y101-F312 HydrophobicContact CD2-CB 4.17Å; Y101-F312 HydrophobicContact CG-CB 3.61Å; Y101-A327 HydrophobicContact CD2-CB 3.85Å; Y101-A327 HydrophobicContact CE2-CB 3.85Å
102	H	79.7	Confident	81.1	Confident	80 Å²	80	36.9 Å²	36.9	37%	0.37	18%	0.178	S	C	.	.	H	α-helix	trans	-67.2	-36.7	173.4	-70.4	-53.2	0	0	0	112.7	H98 E99 E104 D105	H98-H102 AromaticContact CE1-CD2 3.63Å; H98-H102 AromaticContact CE1-NE2 3.01Å; H98-H102 PolarHBondContact CE1-NE2 2.86Å; H98-H102 AromaticContact ND1-CD2 3.61Å; H98-H102 AromaticContact ND1-NE2 3.51Å; H98-H102 AromaticContact NE2-NE2 3.76Å; H98-H102 PolarHBondContact O-CD2 3.05Å; H98-H102 PolarHBondContact O-N 3.32Å; E99-H102 PolarHBondContact O-N 2.85Å; H102-E104 PolarHBondContact O-N 2.85Å; H102-D105 PolarHBondContact O-N 2.95Å
103	L	84.1	Confident	81.3	Confident	33 Å²	33	38.4 Å²	38.4	17%	0.173	19%	0.185	C	C	.	.	H	α-helix	trans	-69.7	-15.8	177.1	-67.6	174.4	0	0	0	114.2	R80 H83 F86 L87 E99 L100	R80-L103 PolarHBondContact NH1-O 2.93Å; H83-L103 HydrophobicContact CB-CD1 4.12Å; F86-L103 HydrophobicContact CD1-CD1 4.3Å; L87-L103 HydrophobicContact CD1-CD1 4.06Å; L87-L103 HydrophobicContact CD2-CD1 3.93Å; L87-L103 HydrophobicContact CG-CD1 3.91Å; E99-L103 WeakPolarHBondContact O-CG 3.49Å; E99-L103 PolarHBondContact O-N 2.79Å; L100-L103 PolarHBondContact O-N 2.92Å
104	E	78.4	Confident	81.5	Confident	15 Å²	15	38.7 Å²	38.7	7%	0.07	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	14.8	174.7	-59.8	-68.6	169.4	0	0	112.3	L100 Y101 H102 N106 M107 K226 L406 Y407	L100-E104 WeakPolarHBondContact O-CG 3.44Å; L100-E104 PolarHBondContact O-N 3.28Å; Y101-E104 PolarHBondContact O-N 3.32Å; H102-E104 PolarHBondContact O-N 2.85Å; E104-N106 PolarHBondContact O-N 3.43Å; E104-N106 VanDerWaalsContact O-N 3.14Å; E104-M107 WeakPolarHBondContact O-CG 3.43Å; E104-K226 IonicContact OE1-NZ 2.94Å; E104-K226 PolarHBondContact OE1-NZ 2.54Å; E104-K226 IonicContact OE2-NZ 3.92Å; E104-K226 PolarHBondContact OE2-NZ 3.25Å; E104-K226 VanDerWaalsContact OE2-NZ 3.14Å; E104-L406 WeakPolarHBondContact OE1-CD1 3.41Å; E104-Y407 VanDerWaalsContact CD-OH 3.23Å; E104-Y407 VanDerWaalsContact OE1-CE2 3.3Å; E104-Y407 WeakPolarHBondContact OE1-CE2 3.31Å; E104-Y407 PolarHBondContact OE1-OH 3.1Å; E104-Y407 PolarHBondContact OE2-OH 3.11Å
105	D	70.8	Confident	81.9	Confident	129 Å²	129	38.5 Å²	38.5	69%	0.69	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.9	37.6	168.9	-71.3	-30.7	0	0	0	116.8	H102 M107	H102-D105 PolarHBondContact O-N 2.95Å; D105-M107 VanDerWaalsContact C-N 3.31Å; D105-M107 PolarHBondContact O-N 3.15Å
106	N	61.5	Low	82.2	Confident	64 Å²	64	34.9 Å²	34.9	34%	0.342	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	42.5	174.7	-55.6	-29.8	0	0	0	114.4	Y101 E104	Y101-N106 WeakPolarHBondContact CE1-OD1 3.27Å; Y101-N106 WeakPolarHBondContact OH-CB 3.4Å; Y101-N106 VanDerWaalsContact OH-CG 3.31Å; Y101-N106 PolarHBondContact OH-OD1 3.23Å; E104-N106 PolarHBondContact O-N 3.43Å; E104-N106 VanDerWaalsContact O-N 3.14Å
107	M	69.1	Low	82.3	Confident	36 Å²	36	40.1 Å²	40.1	18%	0.177	20%	0.197	C	C	.	.			trans	-71.6	165.5	-170.2	-70.3	-74.7	-78.6	0	0	114.7	E104 D105 F109 D253 H259	E104-M107 WeakPolarHBondContact O-CG 3.43Å; D105-M107 VanDerWaalsContact C-N 3.31Å; D105-M107 PolarHBondContact O-N 3.15Å; M107-F109 WeakPolarHBondContact O-CD2 3.48Å; M107-F109 WeakPolarHBondContact O-CE2 3.26Å; M107-D253 HydrophobicContact CE-CB 3.67Å; M107-D253 VanDerWaalsContact CE-CG 3.42Å; M107-D253 WeakPolarHBondContact CE-OD1 3.33Å; M107-H259 VanDerWaalsContact CB-ND1 3.31Å; M107-H259 WeakPolarHBondContact CB-ND1 3.44Å
108	W	71.8	Confident	82.4	Confident	99 Å²	99	42.2 Å²	42.2	38%	0.375	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	140.2	172	-57.7	85.4	0	0	0	110.7	I251 H259 L306 E308	W108-I251 HydrophobicContact CB-CD1 4.04Å; W108-I251 HydrophobicContact CD2-CD1 4.16Å; W108-I251 HydrophobicContact CG-CD1 3.72Å; W108-H259 VanDerWaalsContact O-CB 3.3Å; W108-H259 WeakPolarHBondContact O-CB 3.36Å; W108-L306 HydrophobicContact CB-CD2 3.85Å; W108-L306 HydrophobicContact CB-CG 4.09Å; W108-L306 HydrophobicContact CD2-CD2 3.72Å; W108-L306 HydrophobicContact CE3-CD2 3.35Å; W108-L306 HydrophobicContact CE3-CG 4.19Å; W108-L306 HydrophobicContact CG-CD2 3.95Å; W108-L306 HydrophobicContact CZ3-CD2 4.12Å; W108-E308 HydrophobicContact CD2-CB 4.3Å; W108-E308 HydrophobicContact CD2-CG 4.06Å; W108-E308 HydrophobicContact CE3-CB 3.69Å; W108-E308 HydrophobicContact CE3-CG 3.95Å; W108-E308 HydrophobicContact CH2-CB 3.98Å; W108-E308 VanDerWaalsContact CH2-CD 3.48Å; W108-E308 HydrophobicContact CH2-CG 3.89Å; W108-E308 VanDerWaalsContact CH2-OE2 3.22Å; W108-E308 WeakPolarHBondContact CH2-OE2 3.36Å; W108-E308 HydrophobicContact CZ2-CG 3.97Å; W108-E308 HydrophobicContact CZ3-CB 3.54Å; W108-E308 HydrophobicContact CZ3-CG 3.9Å
109	F	81.9	Confident	82.6	Confident	9 Å²	9	41 Å²	41	4%	0.039	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	137.1	178	-63.1	-91.9	0	0	0	110.9	M107 S111 F224 H259 R261 V307 C309 A327	M107-F109 WeakPolarHBondContact O-CD2 3.48Å; M107-F109 WeakPolarHBondContact O-CE2 3.26Å; F109-S111 PolarHBondContact O-N 2.92Å; F109-F224 HydrophobicContact CD1-CB 4.32Å; F109-F224 HydrophobicContact CE1-CB 3.86Å; F109-F224 HydrophobicContact CZ-CB 4.42Å; F109-H259 HydrophobicContact CD1-CB 3.7Å; F109-H259 HydrophobicContact CE1-CB 3.99Å; F109-H259 HydrophobicContact CG-CB 4.36Å; F109-R261 HydrophobicContact CB-CB 3.95Å; F109-R261 HydrophobicContact CD1-CB 4.5Å; F109-R261 HydrophobicContact CG-CB 4.37Å; F109-V307 PolarHBondContact N-O 3.2Å; F109-V307 PolarHBondContact O-N 3.31Å; F109-C309 HydrophobicContact CD2-CB 3.99Å; F109-C309 HydrophobicContact CE2-CB 3.93Å; F109-A327 HydrophobicContact CE2-CB 4.43Å
110	H	85.8	Confident	82.5	Confident	5 Å²	5	41.2 Å²	41.2	2%	0.023	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	118.8	165.4	-61.9	82.5	0	0	0	108.6	I112 V258 H259 Y260 R261 L304 L306	H110-I112 PolarHBondContact O-N 3.25Å; H110-V258 WeakPolarHBondContact ND1-CG1 3.5Å; H110-H259 PolarHBondContact N-O 2.84Å; H110-H259 PolarHBondContact ND1-O 2.9Å; H110-Y260 HydrophobicContact CB-CD1 3.77Å; H110-Y260 HydrophobicContact CB-CE1 4.02Å; H110-Y260 WeakPolarHBondContact O-CA 3.36Å; H110-R261 PolarHBondContact O-N 3.23Å; H110-L304 HydrophobicContact CB-CB 4.24Å; H110-L304 HydrophobicContact CB-CD1 4.48Å; H110-L306 WeakPolarHBondContact NE2-CD1 2.96Å
111	S	87.9	Confident	82.8	Confident	7 Å²	7	41.3 Å²	41.3	5%	0.049	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	113	-176	-151.2	0	0	0	0	110.4	F109 D113 R261 Q305	F109-S111 PolarHBondContact O-N 2.92Å; S111-D113 PolarHBondContact OG-OD1 2.94Å; S111-D113 PolarHBondContact OG-OD2 2.9Å; S111-R261 PolarHBondContact OG-NH2 3.28Å; S111-Q305 PolarHBondContact N-O 2.76Å
112	I	91	Very high	83.6	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	90.2	168.9	-57.8	174.9	0	0	0	107	H110 L116 F124 V128 Y260 R261 I262 R263 L304 L389	H110-I112 PolarHBondContact O-N 3.25Å; I112-L116 HydrophobicContact CG2-CD2 3.94Å; I112-F124 HydrophobicContact CD1-CE1 4.03Å; I112-V128 HydrophobicContact CD1-CG1 4.22Å; I112-Y260 HydrophobicContact CD1-CD1 3.68Å; I112-Y260 HydrophobicContact CD1-CE1 4.4Å; I112-Y260 HydrophobicContact CD1-CG 4.18Å; I112-Y260 HydrophobicContact CG1-CD1 4.17Å; I112-R261 PolarHBondContact N-O 3Å; I112-I262 HydrophobicContact CB-CG1 4.2Å; I112-I262 HydrophobicContact CD1-CG1 4.27Å; I112-I262 WeakPolarHBondContact O-CA 3.32Å; I112-R263 PolarHBondContact O-N 3.44Å; I112-L304 HydrophobicContact CG1-CD1 4.03Å; I112-L304 HydrophobicContact CG1-CD2 4.24Å; I112-L389 HydrophobicContact CD1-CD2 4.49Å; I112-L389 HydrophobicContact CG2-CD1 3.77Å; I112-L389 HydrophobicContact CG2-CD2 4.38Å
113	D	89.2	Confident	84.1	Confident	57 Å²	57	41 Å²	41	31%	0.305	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	126.3	179.1	-64.9	-23.5	0	0	0	110	S111 P115 R263	S111-D113 PolarHBondContact OG-OD1 2.94Å; S111-D113 PolarHBondContact OG-OD2 2.9Å; D113-P115 CarbonylContact O-C 3.56Å; D113-P115 VanDerWaalsContact O-O 3.05Å; D113-R263 IonicContact OD1-CZ 3.87Å; D113-R263 IonicContact OD1-NE 2.68Å; D113-R263 PolarHBondContact OD1-NE 3.29Å; D113-R263 IonicContact OD1-NH2 3.18Å; D113-R263 PolarHBondContact OD1-NH2 3.48Å; D113-R263 VanDerWaalsContact OD1-NH2 3.13Å; D113-R263 IonicContact OD2-CZ 3.2Å; D113-R263 IonicContact OD2-NE 3.25Å; D113-R263 IonicContact OD2-NH2 2.95Å; D113-R263 PolarHBondContact OD2-NH2 3.45Å
114	I	90.2	Very high	84.5	Confident	14 Å²	14	39.5 Å²	39.5	7%	0.072	20%	0.197	C	C	.	.	S	Bend	trans	-98	126.7	176.8	-58.9	177.7	0	0	0	107.9	L116 I262 R263 E386 L389 T390	I114-L116 HydrophobicContact CG1-CD2 4.32Å; I114-L116 HydrophobicContact CG1-CG 4.48Å; I114-I262 HydrophobicContact CD1-CG2 4.43Å; I114-R263 WeakPolarHBondContact CB-O 3.22Å; I114-R263 PolarHBondContact N-O 3.07Å; I114-E386 HydrophobicContact CG2-CB 4.21Å; I114-E386 HydrophobicContact CG2-CG 4.15Å; I114-L389 HydrophobicContact CD1-CB 3.66Å; I114-L389 HydrophobicContact CD1-CD1 4.47Å; I114-T390 VanDerWaalsContact CD1-OG1 3.24Å; I114-T390 WeakPolarHBondContact CD1-OG1 3.44Å
115	P	90.4	Very high	85.3	Confident	35 Å²	35	38.8 Å²	38.8	23%	0.227	19%	0.194	C	C	.	.	S	Bend	cis	-73.6	138.7	18.1	29.3	-36.1	0	0	0	115.2	D113 Q117 R357 S358	D113-P115 CarbonylContact O-C 3.56Å; D113-P115 VanDerWaalsContact O-O 3.05Å; P115-Q117 PolarHBondContact O-NE2 3.4Å; P115-R357 HydrophobicContact CB-CB 4.1Å; P115-R357 HydrophobicContact CG-CB 4.06Å; P115-S358 WeakPolarHBondContact CB-OG 3.11Å
116	L	91.8	Very high	86.5	Confident	4 Å²	4	34.2 Å²	34.2	2%	0.021	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-67.3	143	178	-66.6	175.1	0	0	0	110.3	I112 I114 M121 V361 A385 E386 L389	I112-L116 HydrophobicContact CG2-CD2 3.94Å; I114-L116 HydrophobicContact CG1-CD2 4.32Å; I114-L116 HydrophobicContact CG1-CG 4.48Å; L116-M121 HydrophobicContact CB-SD 4.1Å; L116-M121 HydrophobicContact CD1-CB 4.13Å; L116-M121 HydrophobicContact CD1-SD 4.05Å; L116-M121 HydrophobicContact CD2-CE 4.06Å; L116-M121 HydrophobicContact CD2-SD 3.8Å; L116-M121 HydrophobicContact CG-SD 4.19Å; L116-V361 WeakPolarHBondContact O-CG2 3.42Å; L116-A385 HydrophobicContact CD1-CB 4.06Å; L116-E386 HydrophobicContact CB-CG 4.17Å; L116-E386 HydrophobicContact CD1-CG 3.73Å; L116-E386 HydrophobicContact CG-CG 3.8Å; L116-E386 PolarHBondContact N-OE1 3.3Å; L116-L389 HydrophobicContact CD1-CD1 4Å; L116-L389 HydrophobicContact CD2-CD1 3.94Å; L116-L389 HydrophobicContact CG-CD1 4.44Å
117	Q	88.6	Confident	88	Confident	112 Å²	112	32.1 Å²	32.1	52%	0.523	16%	0.156	S	C	.	.	S	Bend	trans	-93.6	-12	-179	-57.3	-55.6	-52.6	0	0	113.5	P115 V361	P115-Q117 PolarHBondContact O-NE2 3.4Å; Q117-V361 VanDerWaalsContact C-CG2 3.47Å; Q117-V361 WeakPolarHBondContact O-CG2 3.34Å
118	H	87.7	Confident	89.2	Confident	53 Å²	53	30.4 Å²	30.4	25%	0.245	15%	0.148	C	C	.	.			trans	-118.5	142.5	177.3	-57.1	-90.5	0	0	0	110.1	M121 F302 D303 H382	H118-M121 HydrophobicContact CB-CG 3.9Å; H118-M121 HydrophobicContact CB-SD 3.92Å; H118-F302 HydrophobicContact CB-CD1 4.09Å; H118-F302 PolarHBondContact CD2-O 3.01Å; H118-F302 VanDerWaalsContact CD2-O 3.26Å; H118-F302 PolarHBondContact NE2-O 3.05Å; H118-F302 VanDerWaalsContact NE2-O 3.07Å; H118-D303 IonicContact CE1-OD2 2.74Å; H118-D303 PolarHBondContact CE1-OD2 2.8Å; H118-D303 IonicContact NE2-OD2 3.68Å; H118-H382 PolarHBondContact O-ND1 3.47Å
119	S	84.2	Confident	90.3	Very high	37 Å²	37	25.7 Å²	25.7	26%	0.259	13%	0.13	S	C	.	.	S	Bend	trans	-79.7	-32.4	-171.6	50.5	0	0	0	0	114.6	H382	S119-H382 WeakPolarHBondContact CA-ND1 3.45Å
120	E	85.3	Confident	90.9	Very high	69 Å²	69	25.5 Å²	25.5	32%	0.322	13%	0.129	S	C	.	.			trans	-108.3	64.2	-174.9	-69.3	-63.6	149.4	0	0	111.2	R381	E120-R381 IonicContact OE1-NE 3.35Å; E120-R381 IonicContact OE2-CZ 2.89Å; E120-R381 VanDerWaalsContact OE2-CZ 3.26Å; E120-R381 IonicContact OE2-NE 3.99Å; E120-R381 PolarHBondContact OE2-NE 3.3Å; E120-R381 IonicContact OE2-NH2 3.07Å; E120-R381 PolarHBondContact OE2-NH2 3Å
121	M	91.9	Very high	91.4	Very high	3 Å²	3	25.2 Å²	25.2	2%	0.015	13%	0.128	C	C	.	.			trans	-107.3	11.8	177.1	-66.1	-173	71.6	0	0	113.1	L116 H118 F124 S125 F302 L304	L116-M121 HydrophobicContact CB-SD 4.1Å; L116-M121 HydrophobicContact CD1-CB 4.13Å; L116-M121 HydrophobicContact CD1-SD 4.05Å; L116-M121 HydrophobicContact CD2-CE 4.06Å; L116-M121 HydrophobicContact CD2-SD 3.8Å; L116-M121 HydrophobicContact CG-SD 4.19Å; H118-M121 HydrophobicContact CB-CG 3.9Å; H118-M121 HydrophobicContact CB-SD 3.92Å; M121-F124 HydrophobicContact CE-CD1 3.87Å; M121-F124 HydrophobicContact CE-CE1 4.13Å; M121-S125 VanDerWaalsContact O-CB 3.26Å; M121-S125 WeakPolarHBondContact O-CB 3.29Å; M121-S125 PolarHBondContact O-N 3.13Å; M121-S125 PolarHBondContact O-OG 3.18Å; M121-F302 HydrophobicContact CE-CB 3.89Å; M121-F302 HydrophobicContact CE-CD1 4.24Å; M121-F302 HydrophobicContact CE-CD2 4.27Å; M121-F302 HydrophobicContact CE-CG 3.88Å; M121-F302 HydrophobicContact CG-CD1 3.61Å; M121-F302 HydrophobicContact CG-CE1 3.77Å; M121-F302 HydrophobicContact CG-CG 4.23Å; M121-F302 HydrophobicContact SD-CB 4.35Å; M121-F302 HydrophobicContact SD-CD1 4.19Å; M121-F302 HydrophobicContact SD-CG 4.36Å; M121-L304 HydrophobicContact CE-CD2 4.37Å
122	L	93.5	Very high	91.7	Very high	8 Å²	8	27.2 Å²	27.2	4%	0.042	14%	0.135	C	C	.	.	H	α-helix	trans	-66.5	-50.8	-172	-179.2	59.5	0	0	0	112.1	F124 S125 Q126 L133 R381 I384 A385 I388	L122-F124 VanDerWaalsContact C-N 3.31Å; L122-F124 PolarHBondContact O-N 3.18Å; L122-S125 WeakPolarHBondContact O-CB 3.5Å; L122-S125 PolarHBondContact O-N 2.89Å; L122-S125 VanDerWaalsContact O-N 3.14Å; L122-Q126 WeakPolarHBondContact O-CG 3.19Å; L122-Q126 PolarHBondContact O-N 2.93Å; L122-L133 HydrophobicContact CD1-CD2 4.3Å; L122-L133 HydrophobicContact CD2-CD2 4.22Å; L122-R381 HydrophobicContact CD2-CB 4.24Å; L122-R381 HydrophobicContact CD2-CG 4.15Å; L122-I384 HydrophobicContact CD1-CB 4.25Å; L122-I384 HydrophobicContact CD1-CG2 3.7Å; L122-A385 HydrophobicContact CB-CB 4.32Å; L122-A385 HydrophobicContact CD1-CB 4.23Å; L122-I388 HydrophobicContact CD1-CD1 3.76Å
123	E	91.7	Very high	91.9	Very high	70 Å²	70	28.7 Å²	28.7	33%	0.327	14%	0.143	S	C	.	.	H	α-helix	trans	-62	-41.8	179	-69.6	70.6	-158.7	0	0	110.8	Q126 F127 R381	E123-Q126 PolarHBondContact O-N 2.7Å; E123-F127 WeakPolarHBondContact O-CB 3.49Å; E123-F127 PolarHBondContact O-N 3.07Å; E123-R381 IonicContact OE1-CZ 3.18Å; E123-R381 IonicContact OE1-NH1 3.95Å; E123-R381 PolarHBondContact OE1-NH1 2.86Å; E123-R381 IonicContact OE1-NH2 2.7Å; E123-R381 PolarHBondContact OE1-NH2 2.99Å; E123-R381 IonicContact OE2-CZ 3.48Å; E123-R381 IonicContact OE2-NH2 3.04Å; E123-R381 PolarHBondContact OE2-NH2 2.8Å
124	F	92.7	Very high	92.2	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.009	14%	0.138	C	C	.	.	H	α-helix	trans	-60.8	-44.2	173.2	-178.8	-100.2	0	0	0	111.8	I112 M121 L122 Q126 F127 V128 Y260 F302 L304	I112-F124 HydrophobicContact CD1-CE1 4.03Å; M121-F124 HydrophobicContact CE-CD1 3.87Å; M121-F124 HydrophobicContact CE-CE1 4.13Å; L122-F124 VanDerWaalsContact C-N 3.31Å; L122-F124 PolarHBondContact O-N 3.18Å; F124-Q126 PolarHBondContact O-N 2.85Å; F124-F127 PolarHBondContact O-N 3Å; F124-V128 HydrophobicContact CD1-CG2 4.01Å; F124-V128 HydrophobicContact CD2-CG2 4.23Å; F124-V128 HydrophobicContact CE1-CG2 3.62Å; F124-V128 HydrophobicContact CE2-CG2 3.86Å; F124-V128 HydrophobicContact CG-CG2 4.31Å; F124-V128 HydrophobicContact CZ-CG2 3.53Å; F124-V128 WeakPolarHBondContact O-CB 3.42Å; F124-V128 WeakPolarHBondContact O-CG2 3.21Å; F124-V128 PolarHBondContact O-N 3.11Å; F124-Y260 AromaticContact CZ-CE1 3.78Å; F124-Y260 HydrophobicContact CZ-CE1 3.78Å; F124-F302 HydrophobicContact CB-CE2 3.68Å; F124-F302 HydrophobicContact CB-CZ 3.88Å; F124-F302 HydrophobicContact CD1-CD2 4.22Å; F124-F302 HydrophobicContact CD1-CE2 4.12Å; F124-F302 HydrophobicContact CD2-CD2 4.05Å; F124-F302 AromaticContact CD2-CE2 3.51Å; F124-F302 HydrophobicContact CD2-CE2 3.51Å; F124-F302 HydrophobicContact CD2-CZ 4.5Å; F124-F302 HydrophobicContact CE1-CD2 4.41Å; F124-F302 HydrophobicContact CE2-CD2 4.25Å; F124-F302 HydrophobicContact CE2-CE2 4.13Å; F124-F302 HydrophobicContact CG-CD2 4.02Å; F124-F302 AromaticContact CG-CE2 3.49Å; F124-F302 HydrophobicContact CG-CE2 3.49Å; F124-F302 VanDerWaalsContact CG-CE2 3.49Å; F124-F302 HydrophobicContact CG-CZ 4.2Å; F124-F302 HydrophobicContact CZ-CD2 4.42Å; F124-L304 HydrophobicContact CE1-CD1 3.89Å; F124-L304 HydrophobicContact CZ-CD1 3.72Å
125	S	94.7	Very high	92.3	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-62.9	-42	177.5	-60.3	0	0	0	0	111.8	M121 L122 F127 T129 L389	M121-S125 VanDerWaalsContact O-CB 3.26Å; M121-S125 WeakPolarHBondContact O-CB 3.29Å; M121-S125 PolarHBondContact O-N 3.13Å; M121-S125 PolarHBondContact O-OG 3.18Å; L122-S125 WeakPolarHBondContact O-CB 3.5Å; L122-S125 PolarHBondContact O-N 2.89Å; L122-S125 VanDerWaalsContact O-N 3.14Å; S125-F127 VanDerWaalsContact C-N 3.34Å; S125-T129 WeakPolarHBondContact O-CB 3.04Å; S125-T129 WeakPolarHBondContact O-CG2 3.45Å; S125-T129 PolarHBondContact O-N 3.4Å; S125-T129 VanDerWaalsContact O-N 3.15Å; S125-T129 PolarHBondContact O-OG1 2.72Å; S125-L389 WeakPolarHBondContact OG-CD1 3.46Å
126	Q	95	Very high	92.4	Very high	33 Å²	33	32.9 Å²	32.9	15%	0.154	16%	0.164	C	C	.	.	H	α-helix	trans	-63.7	-39.4	174.7	-70.9	-173.3	-96.9	0	0	112	L122 E123 F124 R130 T131 I293 I388	L122-Q126 WeakPolarHBondContact O-CG 3.19Å; L122-Q126 PolarHBondContact O-N 2.93Å; E123-Q126 PolarHBondContact O-N 2.7Å; F124-Q126 PolarHBondContact O-N 2.85Å; Q126-R130 CarbonylContact O-C 3.53Å; Q126-R130 VanDerWaalsContact O-CA 3.25Å; Q126-R130 WeakPolarHBondContact O-CA 3.29Å; Q126-R130 PolarHBondContact O-N 2.72Å; Q126-T131 PolarHBondContact NE2-O 3.19Å; Q126-T131 PolarHBondContact O-N 2.83Å; Q126-I293 HydrophobicContact CB-CD1 4.46Å; Q126-I293 HydrophobicContact CB-CG2 4.17Å; Q126-I388 HydrophobicContact CG-CD1 4.17Å
127	F	93.6	Very high	92.2	Very high	21 Å²	21	39.2 Å²	39.2	9%	0.092	20%	0.196	C	C	.	.	H	α-helix	trans	-68.1	-50.4	177.5	169.6	-99.8	0	0	0	112.9	E123 F124 S125 T129 R130 R227 V229 I293 C295	E123-F127 WeakPolarHBondContact O-CB 3.49Å; E123-F127 PolarHBondContact O-N 3.07Å; F124-F127 PolarHBondContact O-N 3Å; S125-F127 VanDerWaalsContact C-N 3.34Å; F127-T129 VanDerWaalsContact C-N 3.3Å; F127-T129 PolarHBondContact O-N 3.44Å; F127-R130 PolarHBondContact O-N 3.07Å; F127-R227 HydrophobicContact CE1-CG 4.05Å; F127-R227 VanDerWaalsContact CE2-NH2 3.32Å; F127-R227 HydrophobicContact CZ-CG 4.21Å; F127-R227 PolarHBondContact O-NE 2.96Å; F127-V229 HydrophobicContact CE1-CG2 4.3Å; F127-V229 HydrophobicContact CZ-CG2 4.21Å; F127-I293 HydrophobicContact CB-CG2 4.33Å; F127-I293 WeakPolarHBondContact CD2-O 3.4Å; F127-C295 HydrophobicContact CB-CB 3.47Å; F127-C295 VanDerWaalsContact CB-CB 3.47Å; F127-C295 HydrophobicContact CD1-CB 3.97Å; F127-C295 HydrophobicContact CD2-CB 4Å; F127-C295 HydrophobicContact CG-CB 3.53Å
128	V	93.6	Very high	91.8	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-61.7	-40.1	-178.3	170.5	0	0	0	0	111.1	I112 F124 L225 Y260	I112-V128 HydrophobicContact CD1-CG1 4.22Å; F124-V128 HydrophobicContact CD1-CG2 4.01Å; F124-V128 HydrophobicContact CD2-CG2 4.23Å; F124-V128 HydrophobicContact CE1-CG2 3.62Å; F124-V128 HydrophobicContact CE2-CG2 3.86Å; F124-V128 HydrophobicContact CG-CG2 4.31Å; F124-V128 HydrophobicContact CZ-CG2 3.53Å; F124-V128 WeakPolarHBondContact O-CB 3.42Å; F124-V128 WeakPolarHBondContact O-CG2 3.21Å; F124-V128 PolarHBondContact O-N 3.11Å; V128-L225 HydrophobicContact CG1-CD1 4.19Å; V128-L225 HydrophobicContact CG1-CD2 4.37Å; V128-Y260 HydrophobicContact CG1-CD2 4.05Å; V128-Y260 HydrophobicContact CG1-CE2 4.4Å; V128-Y260 HydrophobicContact CG1-CG 4.18Å; V128-Y260 HydrophobicContact CG2-CE1 4.4Å; V128-Y260 HydrophobicContact CG2-CE2 4.21Å
129	T	94.9	Very high	91.2	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-92.1	-3.3	-178.1	63.6	0	0	0	0	113.9	S125 F127 T131 I388 L389 F392 N450	S125-T129 WeakPolarHBondContact O-CB 3.04Å; S125-T129 WeakPolarHBondContact O-CG2 3.45Å; S125-T129 PolarHBondContact O-N 3.4Å; S125-T129 VanDerWaalsContact O-N 3.15Å; S125-T129 PolarHBondContact O-OG1 2.72Å; F127-T129 VanDerWaalsContact C-N 3.3Å; F127-T129 PolarHBondContact O-N 3.44Å; T129-T131 VanDerWaalsContact C-N 3.32Å; T129-T131 WeakPolarHBondContact CB-OG1 3.28Å; T129-T131 PolarHBondContact O-N 3.42Å; T129-T131 PolarHBondContact O-OG1 3.41Å; T129-T131 VanDerWaalsContact OG1-CB 3.32Å; T129-T131 WeakPolarHBondContact OG1-CB 3.25Å; T129-T131 PolarHBondContact OG1-OG1 3.35Å; T129-I388 HydrophobicContact CG2-CG2 4.34Å; T129-L389 HydrophobicContact CG2-CD2 3.9Å; T129-F392 HydrophobicContact CG2-CB 3.71Å; T129-F392 HydrophobicContact CG2-CD1 3.75Å; T129-F392 HydrophobicContact CG2-CD2 4.01Å; T129-F392 HydrophobicContact CG2-CE1 4.48Å; T129-F392 HydrophobicContact CG2-CG 3.51Å; T129-N450 PolarHBondContact O-ND2 2.87Å
130	R	95.2	Very high	90.5	Very high	4 Å²	4	42.3 Å²	42.3	2%	0.015	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	49	51.6	-173.1	-164.7	168.7	176.9	-94.2	-2.3	111.8	Q126 F127 S438 L439 E443 L447 P448 Y449 N450	Q126-R130 CarbonylContact O-C 3.53Å; Q126-R130 VanDerWaalsContact O-CA 3.25Å; Q126-R130 WeakPolarHBondContact O-CA 3.29Å; Q126-R130 PolarHBondContact O-N 2.72Å; F127-R130 PolarHBondContact O-N 3.07Å; R130-S438 PolarHBondContact NH1-OG 2.9Å; R130-L439 HydrophobicContact CB-CD2 3.84Å; R130-E443 IonicContact CZ-OE2 3.13Å; R130-E443 IonicContact NE-OE2 3.32Å; R130-E443 PolarHBondContact NE-OE2 3.01Å; R130-E443 IonicContact NH2-OE2 2.8Å; R130-L447 PolarHBondContact NH1-O 2.98Å; R130-L447 PolarHBondContact NH2-O 2.96Å; R130-P448 PolarHBondContact NH1-O 2.68Å; R130-Y449 HydrophobicContact CB-CD1 4.49Å; R130-Y449 HydrophobicContact CG-CD1 3.4Å; R130-Y449 VanDerWaalsContact CG-CD1 3.4Å; R130-Y449 HydrophobicContact CG-CE1 3.39Å; R130-Y449 HydrophobicContact CG-CG 4.31Å; R130-Y449 VanDerWaalsContact NH2-CE2 3.32Å; R130-N450 PolarHBondContact O-N 3.04Å
131	T	96	Very high	89.7	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	123.6	-172	-58.9	0	0	0	0	113	Q126 T129 I293 I388 F431 N450 A452	Q126-T131 PolarHBondContact NE2-O 3.19Å; Q126-T131 PolarHBondContact O-N 2.83Å; T129-T131 VanDerWaalsContact C-N 3.32Å; T129-T131 WeakPolarHBondContact CB-OG1 3.28Å; T129-T131 PolarHBondContact O-N 3.42Å; T129-T131 PolarHBondContact O-OG1 3.41Å; T129-T131 VanDerWaalsContact OG1-CB 3.32Å; T129-T131 WeakPolarHBondContact OG1-CB 3.25Å; T129-T131 PolarHBondContact OG1-OG1 3.35Å; T131-I293 VanDerWaalsContact O-CD1 3.24Å; T131-I293 WeakPolarHBondContact O-CD1 3.05Å; T131-I388 HydrophobicContact CG2-CG2 4.2Å; T131-F431 HydrophobicContact CG2-CD2 4.43Å; T131-F431 HydrophobicContact CG2-CE2 3.74Å; T131-N450 CarbonylContact C-O 3.56Å; T131-N450 WeakPolarHBondContact CA-O 2.82Å; T131-N450 HydrophobicContact CG2-CB 4.49Å; T131-A452 HydrophobicContact CG2-CB 3.58Å
132	K	95	Very high	88.5	Confident	48 Å²	48	50.1 Å²	50.1	21%	0.209	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	120.1	168.1	-177.1	-179.7	-179.8	173.9	0	110	I134 I286 L289 N450 L451 A452	K132-I134 HydrophobicContact CD-CD1 4.43Å; K132-I134 HydrophobicContact CG-CG1 4.25Å; K132-I286 PolarHBondContact NZ-O 2.86Å; K132-L289 HydrophobicContact CB-CD1 4.15Å; K132-L289 HydrophobicContact CD-CD1 4.34Å; K132-L289 HydrophobicContact CD-CD2 3.88Å; K132-L289 HydrophobicContact CD-CG 4.03Å; K132-L289 HydrophobicContact CG-CD1 4.32Å; K132-L289 HydrophobicContact CG-CD2 4.29Å; K132-N450 PolarHBondContact N-O 3.15Å; K132-L451 HydrophobicContact CB-CD2 3.86Å; K132-L451 HydrophobicContact CD-CD2 3.91Å; K132-L451 HydrophobicContact CG-CD2 4.34Å; K132-A452 PolarHBondContact O-N 3.49Å
133	L	95	Very high	87.3	Confident	33 Å²	33	52.6 Å²	52.6	17%	0.173	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	131.4	178.7	-173	66.2	0	0	0	110.6	L122 I384 I388 A452 Y454	L122-L133 HydrophobicContact CD1-CD2 4.3Å; L122-L133 HydrophobicContact CD2-CD2 4.22Å; L133-I384 HydrophobicContact CD1-CG2 3.88Å; L133-I384 HydrophobicContact CD2-CG2 3.89Å; L133-I388 HydrophobicContact CD1-CD1 3.97Å; L133-A452 CarbonylContact C-O 3.57Å; L133-A452 WeakPolarHBondContact CA-O 3.5Å; L133-A452 HydrophobicContact CD1-CB 3.93Å; L133-Y454 HydrophobicContact CD1-CD1 3.44Å; L133-Y454 VanDerWaalsContact CD1-CD1 3.44Å; L133-Y454 HydrophobicContact CD1-CE1 3.89Å; L133-Y454 HydrophobicContact CD1-CG 4.4Å; L133-Y454 HydrophobicContact CD2-CD1 4.15Å; L133-Y454 HydrophobicContact CD2-CE1 3.78Å; L133-Y454 HydrophobicContact CG-CD1 3.69Å; L133-Y454 HydrophobicContact CG-CE1 3.56Å
134	I	94.5	Very high	86.6	Confident	38 Å²	38	50 Å²	50	20%	0.195	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	115.7	-175.2	-57.9	171.1	0	0	0	109.1	K132 W136 I286 L451 A452 W453 Y454	K132-I134 HydrophobicContact CD-CD1 4.43Å; K132-I134 HydrophobicContact CG-CG1 4.25Å; I134-W136 PolarHBondContact O-N 3.47Å; I134-I286 HydrophobicContact CD1-CG2 4.12Å; I134-L451 HydrophobicContact CD1-CD2 4.34Å; I134-A452 PolarHBondContact N-O 2.87Å; I134-W453 HydrophobicContact CB-CG 4.39Å; I134-W453 HydrophobicContact CD1-CZ2 4.45Å; I134-W453 VanDerWaalsContact O-CA 3.27Å; I134-W453 WeakPolarHBondContact O-CA 3.44Å; I134-Y454 WeakPolarHBondContact O-CD1 3.39Å; I134-Y454 PolarHBondContact O-N 3.13Å; I134-Y454 VanDerWaalsContact O-N 3.17Å
135	P	94	Very high	86.1	Confident	91 Å²	91	54.5 Å²	54.5	59%	0.591	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66	135.1	169.6	26.5	-31.2	0	0	0	109.8	Y454	P135-Y454 HydrophobicContact CB-CE1 3.92Å; P135-Y454 HydrophobicContact CB-CE2 4.37Å
136	W	92.2	Very high	85.6	Confident	65 Å²	65	57.3 Å²	57.3	25%	0.246	31%	0.309	C	S	.	.			trans	-144.9	145.2	-175	167.3	64.7	0	0	0	111.4	I134 P138 L428 R430 W453 Y454 S455	I134-W136 PolarHBondContact O-N 3.47Å; W136-P138 HydrophobicContact CD2-CG 4.32Å; W136-P138 HydrophobicContact CE3-CG 3.89Å; W136-P138 HydrophobicContact CH2-CB 3.45Å; W136-P138 VanDerWaalsContact CH2-CB 3.45Å; W136-P138 HydrophobicContact CH2-CG 3.49Å; W136-P138 VanDerWaalsContact CH2-CG 3.49Å; W136-P138 HydrophobicContact CZ2-CB 3.73Å; W136-P138 HydrophobicContact CZ2-CG 4.04Å; W136-P138 HydrophobicContact CZ3-CB 4.01Å; W136-P138 HydrophobicContact CZ3-CG 3.47Å; W136-P138 VanDerWaalsContact CZ3-CG 3.47Å; W136-L428 HydrophobicContact CZ3-CD2 4.18Å; W136-R430 HydrophobicContact CZ3-CG 4.14Å; W136-W453 HydrophobicContact CB-CB 4.04Å; W136-W453 HydrophobicContact CB-CG 4.46Å; W136-W453 HydrophobicContact CD2-CB 4.43Å; W136-W453 HydrophobicContact CE3-CB 4.09Å; W136-W453 HydrophobicContact CG-CB 4.45Å; W136-Y454 PolarHBondContact N-O 3.46Å; W136-S455 WeakPolarHBondContact O-CA 3.37Å
137	I	87.5	Confident	85.2	Confident	137 Å²	137	55.7 Å²	55.7	70%	0.703	30%	0.301	S	S	*	.			trans	-108.5	116.6	173.6	-60.9	172.6	0	0	0	107
138	P	79.3	Confident	84.9	Confident	14 Å²	14	55.3 Å²	55.3	9%	0.091	30%	0.301	C	S	.	.			trans	-60.4	143.4	178.2	-23.8	35.5	0	0	0	112.6	W136 S140 L482	W136-P138 HydrophobicContact CD2-CG 4.32Å; W136-P138 HydrophobicContact CE3-CG 3.89Å; W136-P138 HydrophobicContact CH2-CB 3.45Å; W136-P138 VanDerWaalsContact CH2-CB 3.45Å; W136-P138 HydrophobicContact CH2-CG 3.49Å; W136-P138 VanDerWaalsContact CH2-CG 3.49Å; W136-P138 HydrophobicContact CZ2-CB 3.73Å; W136-P138 HydrophobicContact CZ2-CG 4.04Å; W136-P138 HydrophobicContact CZ3-CB 4.01Å; W136-P138 HydrophobicContact CZ3-CG 3.47Å; W136-P138 VanDerWaalsContact CZ3-CG 3.47Å; P138-S140 PolarHBondContact O-N 3.07Å; P138-L482 HydrophobicContact CB-CD2 4.21Å; P138-L482 HydrophobicContact CG-CD2 3.49Å; P138-L482 VanDerWaalsContact CG-CD2 3.49Å
139	E	76.3	Confident	84.6	Confident	144 Å²	144	58.3 Å²	58.3	67%	0.673	32%	0.322	S	S	*	.			trans	-50.8	126.7	168.8	-68.5	176.1	-177.6	0	0	108.5	Y141	E139-Y141 VanDerWaalsContact O-CD2 3.25Å; E139-Y141 WeakPolarHBondContact O-CD2 3.27Å; E139-Y141 PolarHBondContact O-N 3.45Å; E139-Y141 VanDerWaalsContact O-N 3.14Å
140	S	68.5	Low	84.2	Confident	109 Å²	109	62.6 Å²	62.6	76%	0.762	34%	0.339	S	S	*	.			trans	-68.7	111.8	179.7	52.9	0	0	0	0	108.3	P138	P138-S140 PolarHBondContact O-N 3.07Å
141	Y	67.8	Low	83.8	Confident	77 Å²	77	62.4 Å²	62.4	30%	0.302	34%	0.338	S	S	.	.			trans	-82.7	141.5	168	-72.9	-92.1	0	0	0	108.3	E139 S143 S481 T484 L488	E139-Y141 VanDerWaalsContact O-CD2 3.25Å; E139-Y141 WeakPolarHBondContact O-CD2 3.27Å; E139-Y141 PolarHBondContact O-N 3.45Å; E139-Y141 VanDerWaalsContact O-N 3.14Å; Y141-S143 PolarHBondContact O-N 3.3Å; Y141-S481 PolarHBondContact N-OG 3.02Å; Y141-T484 HydrophobicContact CD1-CG2 4.35Å; Y141-T484 HydrophobicContact CG-CG2 4.03Å; Y141-L488 HydrophobicContact CD1-CD1 4.08Å; Y141-L488 HydrophobicContact CE1-CD1 4.16Å
142	D	67.2	Low	83.3	Confident	159 Å²	159	67.1 Å²	67.1	85%	0.85	36%	0.359	S	S	*	.			trans	-51.2	127.7	169.5	-76.5	-25.9	0	0	0	108.7	N144	D142-N144 PolarHBondContact O-N 2.94Å
143	S	67.6	Low	82.9	Confident	59 Å²	59	71.5 Å²	71.5	41%	0.413	38%	0.375	S	S	.	.			trans	-55.9	112	-174	55.9	0	0	0	0	109.2	Y141 P145	Y141-S143 PolarHBondContact O-N 3.3Å; S143-P145 WeakPolarHBondContact O-CD 3.41Å
144	N	77.9	Confident	82.3	Confident	16 Å²	16	70.3 Å²	70.3	9%	0.086	37%	0.368	C	S	.	.			trans	-62.5	108.2	-179.4	-178.8	-22	0	0	0	108.7	D142 I146 L147 S148	D142-N144 PolarHBondContact O-N 2.94Å; N144-I146 PolarHBondContact O-N 3.34Å; N144-I146 WeakPolarHBondContact OD1-CB 3.45Å; N144-I146 PolarHBondContact OD1-N 3.29Å; N144-I146 VanDerWaalsContact OD1-N 3.08Å; N144-L147 HydrophobicContact CB-CB 3.9Å; N144-L147 PolarHBondContact O-N 2.96Å; N144-L147 PolarHBondContact OD1-N 2.87Å; N144-L147 VanDerWaalsContact OD1-N 3.15Å; N144-S148 PolarHBondContact O-N 3.04Å
145	P	82.1	Confident	81.7	Confident	96 Å²	96	68.8 Å²	68.8	62%	0.623	36%	0.36	S	S	*	.	H	α-helix	trans	-68.9	-27.2	-172	28.4	-33.8	0	0	0	111.3	S143 S149	S143-P145 WeakPolarHBondContact O-CD 3.41Å; P145-S149 PolarHBondContact O-N 3.29Å; P145-S149 PolarHBondContact O-OG 3.21Å
146	I	85	Confident	81	Confident	59 Å²	59	66.8 Å²	66.8	30%	0.303	35%	0.349	S	S	.	.	H	α-helix	trans	-69.4	-47.8	175.8	-58	172.8	0	0	0	109	N144 S148 S149 Y150 A202	N144-I146 PolarHBondContact O-N 3.34Å; N144-I146 WeakPolarHBondContact OD1-CB 3.45Å; N144-I146 PolarHBondContact OD1-N 3.29Å; N144-I146 VanDerWaalsContact OD1-N 3.08Å; I146-S148 VanDerWaalsContact C-N 3.29Å; I146-S148 PolarHBondContact O-N 3.31Å; I146-S149 PolarHBondContact O-N 3.16Å; I146-S149 PolarHBondContact O-OG 3.26Å; I146-Y150 HydrophobicContact CG2-CD2 3.75Å; I146-Y150 HydrophobicContact CG2-CE2 3.62Å; I146-Y150 WeakPolarHBondContact O-CD2 3.26Å; I146-Y150 PolarHBondContact O-N 3.5Å; I146-A202 HydrophobicContact CD1-CB 3.74Å
147	L	86.8	Confident	80.1	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-59.2	-43.1	175.5	176.1	56.7	0	0	0	111.5	N144 S149 Y150 L151 V195 S198 F199 I480 L483	N144-L147 HydrophobicContact CB-CB 3.9Å; N144-L147 PolarHBondContact O-N 2.96Å; N144-L147 PolarHBondContact OD1-N 2.87Å; N144-L147 VanDerWaalsContact OD1-N 3.15Å; L147-S149 VanDerWaalsContact C-N 3.35Å; L147-S149 PolarHBondContact O-N 3.45Å; L147-Y150 PolarHBondContact O-N 3.38Å; L147-L151 HydrophobicContact CD1-CD1 3.75Å; L147-L151 HydrophobicContact CD1-CD2 4.46Å; L147-L151 HydrophobicContact CD1-CG 3.78Å; L147-L151 HydrophobicContact CG-CD1 3.99Å; L147-L151 HydrophobicContact CG-CG 4.4Å; L147-L151 WeakPolarHBondContact O-CB 3.27Å; L147-L151 WeakPolarHBondContact O-CG 3.49Å; L147-L151 PolarHBondContact O-N 3.46Å; L147-V195 HydrophobicContact CD1-CB 4.23Å; L147-V195 HydrophobicContact CD1-CG1 4.31Å; L147-V195 HydrophobicContact CD1-CG2 3.92Å; L147-S198 VanDerWaalsContact CD1-OG 3.3Å; L147-S198 WeakPolarHBondContact CD1-OG 3.36Å; L147-F199 HydrophobicContact CD2-CE2 4.12Å; L147-I480 HydrophobicContact CD2-CG2 3.96Å; L147-I480 HydrophobicContact CG-CG2 4.29Å; L147-L483 HydrophobicContact CD2-CB 4.24Å
148	S	86.4	Confident	79.2	Confident	13 Å²	13	66.5 Å²	66.5	9%	0.091	35%	0.347	C	S	.	.	H	α-helix	trans	-57.3	-45.6	176.1	-165.9	0	0	0	0	112.3	N144 I146 K152	N144-S148 PolarHBondContact O-N 3.04Å; I146-S148 VanDerWaalsContact C-N 3.29Å; I146-S148 PolarHBondContact O-N 3.31Å; S148-K152 WeakPolarHBondContact O-CB 3.31Å; S148-K152 VanDerWaalsContact O-CG 3.24Å; S148-K152 WeakPolarHBondContact O-CG 3.3Å; S148-K152 PolarHBondContact O-N 2.75Å
149	S	86.9	Confident	78.5	Confident	63 Å²	63	66 Å²	66	44%	0.441	34%	0.344	S	S	.	.	H	α-helix	trans	-69.1	-42.3	-178.5	65.7	0	0	0	0	112.4	P145 I146 L147 K152 Y153	P145-S149 PolarHBondContact O-N 3.29Å; P145-S149 PolarHBondContact O-OG 3.21Å; I146-S149 PolarHBondContact O-N 3.16Å; I146-S149 PolarHBondContact O-OG 3.26Å; L147-S149 VanDerWaalsContact C-N 3.35Å; L147-S149 PolarHBondContact O-N 3.45Å; S149-K152 PolarHBondContact O-N 3.25Å; S149-Y153 WeakPolarHBondContact O-CB 3.44Å; S149-Y153 PolarHBondContact O-N 2.92Å
150	Y	87.7	Confident	78	Confident	89 Å²	89	63.5 Å²	63.5	35%	0.349	33%	0.332	S	S	.	.	H	α-helix	trans	-63	-43.8	176.2	-87.5	-108.1	0	0	0	111.8	I146 L147 Y153 L154 T194 S201	I146-Y150 HydrophobicContact CG2-CD2 3.75Å; I146-Y150 HydrophobicContact CG2-CE2 3.62Å; I146-Y150 WeakPolarHBondContact O-CD2 3.26Å; I146-Y150 PolarHBondContact O-N 3.5Å; L147-Y150 PolarHBondContact O-N 3.38Å; Y150-Y153 PolarHBondContact O-N 2.99Å; Y150-L154 WeakPolarHBondContact O-CB 3.25Å; Y150-L154 PolarHBondContact O-N 2.95Å; Y150-T194 HydrophobicContact CD1-CG2 4.36Å; Y150-S201 PolarHBondContact OH-OG 3.13Å
151	L	86.3	Confident	77.6	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-65.9	-42.7	176.4	-73.3	178.8	0	0	0	111.7	L147 Y153 L154 F155 I191 T194 V195 V475 I480 L483	L147-L151 HydrophobicContact CD1-CD1 3.75Å; L147-L151 HydrophobicContact CD1-CD2 4.46Å; L147-L151 HydrophobicContact CD1-CG 3.78Å; L147-L151 HydrophobicContact CG-CD1 3.99Å; L147-L151 HydrophobicContact CG-CG 4.4Å; L147-L151 WeakPolarHBondContact O-CB 3.27Å; L147-L151 WeakPolarHBondContact O-CG 3.49Å; L147-L151 PolarHBondContact O-N 3.46Å; L151-Y153 VanDerWaalsContact C-N 3.31Å; L151-Y153 PolarHBondContact O-N 3.33Å; L151-L154 HydrophobicContact CD2-CD2 4.39Å; L151-L154 WeakPolarHBondContact O-CB 3.44Å; L151-L154 PolarHBondContact O-N 3.25Å; L151-F155 HydrophobicContact CB-CD2 4.34Å; L151-F155 HydrophobicContact CB-CE2 4.07Å; L151-F155 HydrophobicContact CD2-CE2 4.44Å; L151-F155 WeakPolarHBondContact O-CD2 3.32Å; L151-F155 WeakPolarHBondContact O-CG 3.42Å; L151-F155 PolarHBondContact O-N 2.63Å; L151-I191 HydrophobicContact CD2-CG2 4.38Å; L151-T194 HydrophobicContact CD2-CG2 4.26Å; L151-V195 HydrophobicContact CD2-CG2 4.34Å; L151-V475 HydrophobicContact CB-CG1 4.33Å; L151-V475 HydrophobicContact CB-CG2 4.04Å; L151-V475 HydrophobicContact CD1-CG1 4.06Å; L151-I480 HydrophobicContact CD1-CG1 4.41Å; L151-L483 HydrophobicContact CD1-CD1 4.25Å
152	K	85.7	Confident	77.2	Confident	99 Å²	99	58.1 Å²	58.1	43%	0.43	31%	0.305	S	S	.	.	H	α-helix	trans	-56.7	-46.1	174.8	-78	173.7	-176.9	177.5	0	111.5	S148 S149 F155 S156 V475	S148-K152 WeakPolarHBondContact O-CB 3.31Å; S148-K152 VanDerWaalsContact O-CG 3.24Å; S148-K152 WeakPolarHBondContact O-CG 3.3Å; S148-K152 PolarHBondContact O-N 2.75Å; S149-K152 PolarHBondContact O-N 3.25Å; K152-F155 PolarHBondContact O-N 3.05Å; K152-S156 PolarHBondContact O-N 3.26Å; K152-S156 PolarHBondContact O-OG 3.39Å; K152-V475 HydrophobicContact CG-CB 4.49Å; K152-V475 HydrophobicContact CG-CG2 3.69Å
153	Y	85.5	Confident	76.9	Confident	141 Å²	141	55 Å²	55	55%	0.553	29%	0.288	S	S	*	.	H	α-helix	trans	-61.7	-45	176.4	179	-93.8	0	0	0	112.3	S149 Y150 L151 F155 S156 E157	S149-Y153 WeakPolarHBondContact O-CB 3.44Å; S149-Y153 PolarHBondContact O-N 2.92Å; Y150-Y153 PolarHBondContact O-N 2.99Å; L151-Y153 VanDerWaalsContact C-N 3.31Å; L151-Y153 PolarHBondContact O-N 3.33Å; Y153-F155 VanDerWaalsContact C-N 3.33Å; Y153-F155 PolarHBondContact O-N 3.08Å; Y153-S156 PolarHBondContact O-N 3.36Å; Y153-S156 PolarHBondContact O-OG 3.32Å; Y153-S156 VanDerWaalsContact O-OG 3.04Å; Y153-E157 HydrophobicContact CD2-CG 4.16Å; Y153-E157 HydrophobicContact CE2-CB 4.46Å; Y153-E157 HydrophobicContact CE2-CG 3.76Å; Y153-E157 PolarHBondContact O-N 3.08Å
154	L	84.3	Confident	76.4	Confident	7 Å²	7	56.5 Å²	56.5	4%	0.037	30%	0.298	C	S	.	.	I	π-helix	trans	-58.8	-44.3	176.1	-178.8	77.5	0	0	0	111.8	Y150 L151 E158 L159 M190 I191 T194	Y150-L154 WeakPolarHBondContact O-CB 3.25Å; Y150-L154 PolarHBondContact O-N 2.95Å; L151-L154 HydrophobicContact CD2-CD2 4.39Å; L151-L154 WeakPolarHBondContact O-CB 3.44Å; L151-L154 PolarHBondContact O-N 3.25Å; L154-E158 HydrophobicContact CD1-CB 3.71Å; L154-E158 HydrophobicContact CD1-CG 4.1Å; L154-E158 HydrophobicContact CG-CB 4.47Å; L154-E158 PolarHBondContact O-N 3.28Å; L154-L159 HydrophobicContact CD2-CD1 4.31Å; L154-L159 HydrophobicContact CG-CD1 4.19Å; L154-L159 HydrophobicContact CG-CG 4.45Å; L154-L159 PolarHBondContact O-N 3.23Å; L154-M190 HydrophobicContact CD1-CB 4.4Å; L154-M190 HydrophobicContact CD1-CE 4.3Å; L154-I191 HydrophobicContact CD2-CB 4.31Å; L154-I191 HydrophobicContact CD2-CG1 3.82Å; L154-T194 HydrophobicContact CB-CG2 4.31Å; L154-T194 HydrophobicContact CD2-CG2 4.34Å
155	F	81.8	Confident	75.7	Confident	6 Å²	6	61.7 Å²	61.7	3%	0.026	32%	0.32	C	S	.	.	I	π-helix	trans	-69	-36.2	179.6	-70.8	-59.9	0	0	0	112.8	L151 K152 Y153 L159 H160 L460 C461 F473 V475	L151-F155 HydrophobicContact CB-CD2 4.34Å; L151-F155 HydrophobicContact CB-CE2 4.07Å; L151-F155 HydrophobicContact CD2-CE2 4.44Å; L151-F155 WeakPolarHBondContact O-CD2 3.32Å; L151-F155 WeakPolarHBondContact O-CG 3.42Å; L151-F155 PolarHBondContact O-N 2.63Å; K152-F155 PolarHBondContact O-N 3.05Å; Y153-F155 VanDerWaalsContact C-N 3.33Å; Y153-F155 PolarHBondContact O-N 3.08Å; F155-L159 HydrophobicContact CD1-CD1 3.12Å; F155-L159 HydrophobicContact CD1-CG 4.45Å; F155-L159 HydrophobicContact CE1-CD1 3.29Å; F155-L159 HydrophobicContact CG-CD1 4.13Å; F155-L159 HydrophobicContact CZ-CD1 4.42Å; F155-H160 PolarHBondContact O-ND1 2.81Å; F155-L460 HydrophobicContact CE1-CD2 4.45Å; F155-L460 HydrophobicContact CE2-CG 4.32Å; F155-L460 HydrophobicContact CZ-CD2 3.65Å; F155-L460 HydrophobicContact CZ-CG 3.84Å; F155-C461 HydrophobicContact CD2-CB 4.13Å; F155-C461 HydrophobicContact CE2-CB 4.03Å; F155-C461 HydrophobicContact CG-CB 4.47Å; F155-C461 HydrophobicContact CZ-CB 4.28Å; F155-F473 HydrophobicContact CB-CB 4.12Å; F155-F473 HydrophobicContact CB-CD1 4.14Å; F155-F473 HydrophobicContact CB-CG 4.06Å; F155-V475 HydrophobicContact CD2-CG2 3.77Å; F155-V475 HydrophobicContact CE2-CG2 3.99Å
156	S	78.1	Confident	74.7	Confident	49 Å²	49	63.4 Å²	63.4	34%	0.343	33%	0.331	S	S	.	.	I	π-helix	trans	-74.6	-46.9	-179.7	60.9	0	0	0	0	113.2	K152 Y153 H160	K152-S156 PolarHBondContact O-N 3.26Å; K152-S156 PolarHBondContact O-OG 3.39Å; Y153-S156 PolarHBondContact O-N 3.36Å; Y153-S156 PolarHBondContact O-OG 3.32Å; Y153-S156 VanDerWaalsContact O-OG 3.04Å; S156-H160 PolarHBondContact O-ND1 2.95Å
157	E	74.5	Confident	73.8	Confident	116 Å²	116	62.3 Å²	62.3	54%	0.542	33%	0.327	S	S	.	.	I	π-helix	trans	-99.4	-57.4	-170.4	-65.2	-64.6	134.8	0	0	112.3	Y153	Y153-E157 HydrophobicContact CD2-CG 4.16Å; Y153-E157 HydrophobicContact CE2-CB 4.46Å; Y153-E157 HydrophobicContact CE2-CG 3.76Å; Y153-E157 PolarHBondContact O-N 3.08Å
158	E	67	Low	73.2	Confident	80 Å²	80	66.8 Å²	66.8	37%	0.374	35%	0.351	S	S	.	.	I	π-helix	trans	-77.2	-43.7	-165.9	-70.6	-67.6	156.6	0	0	111.8	L154 H160 S161 V162 M190	L154-E158 HydrophobicContact CD1-CB 3.71Å; L154-E158 HydrophobicContact CD1-CG 4.1Å; L154-E158 HydrophobicContact CG-CB 4.47Å; L154-E158 PolarHBondContact O-N 3.28Å; E158-H160 VanDerWaalsContact C-N 3.26Å; E158-H160 PolarHBondContact O-N 3.29Å; E158-S161 WeakPolarHBondContact O-CB 3.24Å; E158-S161 PolarHBondContact O-N 2.8Å; E158-S161 VanDerWaalsContact O-N 3.12Å; E158-S161 PolarHBondContact O-OG 2.82Å; E158-V162 WeakPolarHBondContact O-CG2 3.37Å; E158-V162 PolarHBondContact O-N 2.96Å; E158-M190 HydrophobicContact CB-CE 3.83Å
159	L	65.7	Low	72.6	Confident	4 Å²	4	72 Å²	72	2%	0.021	38%	0.377	C	S	.	.	H	α-helix	trans	-72	-19.6	-178.1	-81.3	165.8	0	0	0	113.5	L154 F155 S161 V162 N163 K187	L154-L159 HydrophobicContact CD2-CD1 4.31Å; L154-L159 HydrophobicContact CG-CD1 4.19Å; L154-L159 HydrophobicContact CG-CG 4.45Å; L154-L159 PolarHBondContact O-N 3.23Å; F155-L159 HydrophobicContact CD1-CD1 3.12Å; F155-L159 HydrophobicContact CD1-CG 4.45Å; F155-L159 HydrophobicContact CE1-CD1 3.29Å; F155-L159 HydrophobicContact CG-CD1 4.13Å; F155-L159 HydrophobicContact CZ-CD1 4.42Å; L159-S161 VanDerWaalsContact C-N 3.33Å; L159-V162 HydrophobicContact CD2-CB 4.31Å; L159-V162 PolarHBondContact O-N 2.86Å; L159-N163 WeakPolarHBondContact O-CB 3.48Å; L159-N163 PolarHBondContact O-N 3.05Å; L159-N163 PolarHBondContact O-ND2 3.4Å; L159-N163 VanDerWaalsContact O-ND2 3.15Å; L159-K187 HydrophobicContact CD2-CB 4.39Å; L159-K187 HydrophobicContact CD2-CD 3.96Å; L159-K187 HydrophobicContact CD2-CG 3.73Å
160	H	64.9	Low	72	Confident	92 Å²	92	76.8 Å²	76.8	43%	0.426	39%	0.392	S	S	.	.	H	α-helix	trans	-63.4	-42.2	168.9	-81.8	61.2	0	0	0	111.2	F155 S156 E158 V162 N163 S164 F473	F155-H160 PolarHBondContact O-ND1 2.81Å; S156-H160 PolarHBondContact O-ND1 2.95Å; E158-H160 VanDerWaalsContact C-N 3.26Å; E158-H160 PolarHBondContact O-N 3.29Å; H160-V162 VanDerWaalsContact C-N 3.3Å; H160-V162 PolarHBondContact O-N 2.94Å; H160-N163 PolarHBondContact O-N 2.68Å; H160-S164 WeakPolarHBondContact O-CB 3.29Å; H160-S164 PolarHBondContact O-N 3.32Å; H160-S164 PolarHBondContact O-OG 2.92Å; H160-F473 AromaticContact CE1-CE2 3.46Å; H160-F473 VanDerWaalsContact CE1-CE2 3.46Å; H160-F473 WeakPolarHBondContact CE1-CE2 3.36Å; H160-F473 AromaticContact CE1-CZ 3.79Å
161	S	60.6	Low	71.7	Confident	60 Å²	60	75.4 Å²	75.4	42%	0.42	39%	0.39	S	S	.	.	H	α-helix	trans	-67.7	-31.5	178.6	82.1	0	0	0	0	113.2	E158 L159 S164	E158-S161 WeakPolarHBondContact O-CB 3.24Å; E158-S161 PolarHBondContact O-N 2.8Å; E158-S161 VanDerWaalsContact O-N 3.12Å; E158-S161 PolarHBondContact O-OG 2.82Å; L159-S161 VanDerWaalsContact C-N 3.33Å; S161-S164 PolarHBondContact O-OG 2.79Å
162	V	59.5	Low	71.4	Confident	12 Å²	12	80.4 Å²	80.4	7%	0.073	41%	0.414	C	S	.	.	H	α-helix	trans	-73.7	-53.8	176.4	-175	0	0	0	0	106.6	E158 L159 H160 S164 K165 Y183 M190	E158-V162 WeakPolarHBondContact O-CG2 3.37Å; E158-V162 PolarHBondContact O-N 2.96Å; L159-V162 HydrophobicContact CD2-CB 4.31Å; L159-V162 PolarHBondContact O-N 2.86Å; H160-V162 VanDerWaalsContact C-N 3.3Å; H160-V162 PolarHBondContact O-N 2.94Å; V162-S164 PolarHBondContact O-N 3.23Å; V162-S164 VanDerWaalsContact O-N 3.11Å; V162-K165 PolarHBondContact O-N 2.83Å; V162-Y183 HydrophobicContact CB-CE2 4.25Å; V162-Y183 HydrophobicContact CG1-CD2 4.18Å; V162-Y183 HydrophobicContact CG1-CE1 4.3Å; V162-Y183 HydrophobicContact CG1-CE2 3.29Å; V162-Y183 WeakPolarHBondContact CG1-OH 3.48Å; V162-Y183 WeakPolarHBondContact O-CE2 3.33Å; V162-Y183 PolarHBondContact O-OH 2.8Å; V162-M190 HydrophobicContact CG2-CE 3.84Å; V162-M190 HydrophobicContact CG2-SD 3.63Å
163	N	61.2	Low	71.3	Confident	95 Å²	95	78.1 Å²	78.1	51%	0.508	41%	0.41	S	S	.	.	H	α-helix	trans	-62.7	-21.2	-177.3	-70.1	-25.1	0	0	0	114.3	L159 H160 K165 Y183	L159-N163 WeakPolarHBondContact O-CB 3.48Å; L159-N163 PolarHBondContact O-N 3.05Å; L159-N163 PolarHBondContact O-ND2 3.4Å; L159-N163 VanDerWaalsContact O-ND2 3.15Å; H160-N163 PolarHBondContact O-N 2.68Å; N163-K165 PolarHBondContact O-N 3.17Å; N163-Y183 WeakPolarHBondContact CA-OH 3.48Å; N163-Y183 PolarHBondContact N-OH 3.35Å; N163-Y183 PolarHBondContact OD1-OH 2.92Å
164	S	56.8	Low	71.1	Confident	89 Å²	89	76.3 Å²	76.3	62%	0.622	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-10.4	176	62.2	0	0	0	0	114.2	H160 S161 V162 P166	H160-S164 WeakPolarHBondContact O-CB 3.29Å; H160-S164 PolarHBondContact O-N 3.32Å; H160-S164 PolarHBondContact O-OG 2.92Å; S161-S164 PolarHBondContact O-OG 2.79Å; V162-S164 PolarHBondContact O-N 3.23Å; V162-S164 VanDerWaalsContact O-N 3.11Å; S164-P166 WeakPolarHBondContact O-CD 3.34Å
165	K	62.9	Low	71	Confident	126 Å²	126	81.7 Å²	81.7	55%	0.548	44%	0.443	S	S	.	.	S	Bend	trans	-75.9	119.6	178.2	-70	-179.1	-177.2	171.3	0	109.8	V162 N163 V167 Y183	V162-K165 PolarHBondContact O-N 2.83Å; N163-K165 PolarHBondContact O-N 3.17Å; K165-V167 PolarHBondContact O-N 3.08Å; K165-Y183 HydrophobicContact CB-CE2 4.29Å
166	P	60.7	Low	71.1	Confident	131 Å²	131	81.6 Å²	81.6	85%	0.851	44%	0.443	S	S	*	.			trans	-70.6	100.7	177.8	28.8	-32.8	0	0	0	108.7	S164	S164-P166 WeakPolarHBondContact O-CD 3.34Å
167	V	67.2	Low	71.2	Confident	36 Å²	36	81.5 Å²	81.5	22%	0.218	44%	0.439	C	S	.	.			trans	-95.7	123	165.1	-171.2	0	0	0	0	107.3	K165 I169 V179 R180 Y183	K165-V167 PolarHBondContact O-N 3.08Å; V167-I169 PolarHBondContact O-N 2.94Å; V167-V179 HydrophobicContact CG1-CG1 3.99Å; V167-R180 HydrophobicContact CB-CG 4.45Å; V167-R180 HydrophobicContact CG1-CB 4.33Å; V167-R180 HydrophobicContact CG1-CG 3.31Å; V167-Y183 HydrophobicContact CG2-CD2 4.28Å; V167-Y183 HydrophobicContact CG2-CG 4.15Å
168	N	73.4	Confident	71.6	Confident	95 Å²	95	80 Å²	80	51%	0.508	43%	0.434	S	S	.	.			trans	-67.5	108.3	178.6	-171.8	-2.8	0	0	0	109.4	H170 D171 R180	N168-H170 PolarHBondContact O-N 3.22Å; N168-H170 PolarHBondContact OD1-N 2.95Å; N168-D171 HydrophobicContact CB-CB 4.05Å; N168-D171 PolarHBondContact O-N 3.4Å; N168-R180 PolarHBondContact O-NH1 2.96Å
169	I	73.5	Confident	72.5	Confident	123 Å²	123	80.1 Å²	80.1	63%	0.631	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-26.8	-179.3	-56.6	174	0	0	0	110.6	V167	V167-I169 PolarHBondContact O-N 2.94Å
170	H	75.8	Confident	73.4	Confident	163 Å²	163	80.7 Å²	80.7	76%	0.755	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-8	-177.5	-56.7	-63.8	0	0	0	113.8	N168 Q172	N168-H170 PolarHBondContact O-N 3.22Å; N168-H170 PolarHBondContact OD1-N 2.95Å; H170-Q172 PolarHBondContact O-N 3.36Å; H170-Q172 VanDerWaalsContact O-N 3.13Å
171	D	80.6	Confident	74.3	Confident	59 Å²	59	77.4 Å²	77.4	32%	0.316	43%	0.43	S	S	.	.			trans	-76.2	100.8	178.6	-174.9	3.7	0	0	0	110.7	N168 S173 G176 R180	N168-D171 HydrophobicContact CB-CB 4.05Å; N168-D171 PolarHBondContact O-N 3.4Å; D171-S173 VanDerWaalsContact C-N 3.27Å; D171-S173 VanDerWaalsContact CG-OG 3.25Å; D171-S173 WeakPolarHBondContact OD1-CB 3.35Å; D171-S173 PolarHBondContact OD1-N 2.69Å; D171-S173 PolarHBondContact OD1-OG 3.22Å; D171-S173 PolarHBondContact OD2-OG 2.87Å; D171-G176 WeakPolarHBondContact OD2-CA 3.47Å; D171-R180 PolarHBondContact O-NH1 3.36Å; D171-R180 PolarHBondContact O-NH2 3.42Å; D171-R180 VanDerWaalsContact O-NH2 3.12Å
172	Q	79.3	Confident	75.5	Confident	106 Å²	106	77.4 Å²	77.4	50%	0.495	43%	0.425	S	S	.	.			trans	-86.4	6.8	177.1	-61.7	-62.4	-11.4	0	0	113.2	H170	H170-Q172 PolarHBondContact O-N 3.36Å; H170-Q172 VanDerWaalsContact O-N 3.13Å
173	S	83.1	Confident	76.7	Confident	50 Å²	50	78.7 Å²	78.7	35%	0.35	43%	0.429	S	S	.	.	S	Bend	trans	-65	152.3	172	72.9	0	0	0	0	110.8	D171 N175 G176 L177	D171-S173 VanDerWaalsContact C-N 3.27Å; D171-S173 VanDerWaalsContact CG-OG 3.25Å; D171-S173 WeakPolarHBondContact OD1-CB 3.35Å; D171-S173 PolarHBondContact OD1-N 2.69Å; D171-S173 PolarHBondContact OD1-OG 3.22Å; D171-S173 PolarHBondContact OD2-OG 2.87Å; S173-N175 PolarHBondContact O-N 3.12Å; S173-N175 VanDerWaalsContact O-N 3.11Å; S173-G176 WeakPolarHBondContact O-CA 3.35Å; S173-G176 PolarHBondContact O-N 3.28Å; S173-G176 PolarHBondContact OG-N 3.28Å; S173-G176 VanDerWaalsContact OG-N 3.13Å; S173-L177 PolarHBondContact O-N 3.34Å
174	V	81.4	Confident	78	Confident	104 Å²	104	76.2 Å²	76.2	63%	0.63	41%	0.412	S	S	*	.	H	α-helix	trans	-51.9	-36.1	174.3	177.8	0	0	0	0	111.3	N178	V174-N178 WeakPolarHBondContact O-CB 3.32Å; V174-N178 PolarHBondContact O-N 3.47Å; V174-N178 PolarHBondContact O-ND2 3.44Å
175	N	83.1	Confident	79.4	Confident	120 Å²	120	73.1 Å²	73.1	64%	0.642	39%	0.387	S	S	*	.	H	α-helix	trans	-68	-43.9	176.3	-69.1	-21.7	0	0	0	112.1	S173 N178 V179	S173-N175 PolarHBondContact O-N 3.12Å; S173-N175 VanDerWaalsContact O-N 3.11Å; N175-N178 PolarHBondContact O-N 3.14Å; N175-V179 VanDerWaalsContact O-CG2 3.29Å; N175-V179 WeakPolarHBondContact O-CG2 3.48Å; N175-V179 PolarHBondContact O-N 3.04Å
176	G	82.9	Confident	80.6	Confident	4 Å²	4	72.7 Å²	72.7	4%	0.041	39%	0.385	C	S	.	.	H	α-helix	trans	-60	-45.4	176.5	0	0	0	0	0	112.4	D171 S173 V179 R180	D171-G176 WeakPolarHBondContact OD2-CA 3.47Å; S173-G176 WeakPolarHBondContact O-CA 3.35Å; S173-G176 PolarHBondContact O-N 3.28Å; S173-G176 PolarHBondContact OG-N 3.28Å; S173-G176 VanDerWaalsContact OG-N 3.13Å; G176-V179 PolarHBondContact O-N 2.93Å; G176-R180 PolarHBondContact O-N 3.2Å
177	L	81.6	Confident	81.9	Confident	46 Å²	46	68.7 Å²	68.7	24%	0.241	35%	0.354	C	S	.	.	H	α-helix	trans	-59	-47	174.2	-72.4	164.9	0	0	0	111.8	S173 V179 R180 S181 E359	S173-L177 PolarHBondContact O-N 3.34Å; L177-V179 PolarHBondContact O-N 2.9Å; L177-R180 PolarHBondContact O-N 3.18Å; L177-S181 WeakPolarHBondContact O-CB 3.41Å; L177-S181 PolarHBondContact O-N 3.04Å; L177-E359 HydrophobicContact CD2-CB 4.24Å; L177-E359 HydrophobicContact CD2-CG 4.34Å; L177-E359 WeakPolarHBondContact CD2-OE2 3.11Å
178	N	82.8	Confident	83.1	Confident	85 Å²	85	67.4 Å²	67.4	46%	0.455	35%	0.346	S	S	.	.	H	α-helix	trans	-62.5	-41.2	178.2	-73.8	-21.7	0	0	0	112.3	V174 N175 S181 D182	V174-N178 WeakPolarHBondContact O-CB 3.32Å; V174-N178 PolarHBondContact O-N 3.47Å; V174-N178 PolarHBondContact O-ND2 3.44Å; N175-N178 PolarHBondContact O-N 3.14Å; N178-S181 PolarHBondContact O-N 3Å; N178-D182 WeakPolarHBondContact O-CB 3.3Å; N178-D182 VanDerWaalsContact O-CG 3.24Å; N178-D182 PolarHBondContact O-N 2.83Å
179	V	85	Confident	84	Confident	82 Å²	82	63.1 Å²	63.1	50%	0.497	32%	0.323	S	S	.	.	H	α-helix	trans	-64.9	-42	177.3	172.3	0	0	0	0	111.3	V167 N175 G176 L177 D182 Y183	V167-V179 HydrophobicContact CG1-CG1 3.99Å; N175-V179 VanDerWaalsContact O-CG2 3.29Å; N175-V179 WeakPolarHBondContact O-CG2 3.48Å; N175-V179 PolarHBondContact O-N 3.04Å; G176-V179 PolarHBondContact O-N 2.93Å; L177-V179 PolarHBondContact O-N 2.9Å; V179-D182 PolarHBondContact O-N 3.06Å; V179-Y183 WeakPolarHBondContact O-CB 3.42Å; V179-Y183 PolarHBondContact O-N 2.91Å
180	R	84.8	Confident	84.8	Confident	17 Å²	17	59.3 Å²	59.3	6%	0.064	30%	0.304	C	S	.	.	H	α-helix	trans	-63.2	-45.4	174.4	-77.1	-167.5	-61.6	-83.1	5.7	112	V167 N168 D171 G176 L177 Y183 R184 E359	V167-R180 HydrophobicContact CB-CG 4.45Å; V167-R180 HydrophobicContact CG1-CB 4.33Å; V167-R180 HydrophobicContact CG1-CG 3.31Å; N168-R180 PolarHBondContact O-NH1 2.96Å; D171-R180 PolarHBondContact O-NH1 3.36Å; D171-R180 PolarHBondContact O-NH2 3.42Å; D171-R180 VanDerWaalsContact O-NH2 3.12Å; G176-R180 PolarHBondContact O-N 3.2Å; L177-R180 PolarHBondContact O-N 3.18Å; R180-Y183 PolarHBondContact O-N 2.82Å; R180-R184 WeakPolarHBondContact O-CG 3.38Å; R180-R184 PolarHBondContact O-N 2.6Å; R180-E359 IonicContact CZ-OE2 2.83Å; R180-E359 VanDerWaalsContact CZ-OE2 3.27Å; R180-E359 IonicContact NE-OE1 2.95Å; R180-E359 PolarHBondContact NE-OE1 2.95Å; R180-E359 IonicContact NE-OE2 3.5Å; R180-E359 PolarHBondContact NE-OE2 2.76Å; R180-E359 IonicContact NH2-OE2 3.18Å; R180-E359 PolarHBondContact NH2-OE2 2.64Å
181	S	85	Confident	85.5	Confident	23 Å²	23	51.8 Å²	51.8	16%	0.161	27%	0.269	C	S	.	.	H	α-helix	trans	-58.6	-47.1	175.8	-178	0	0	0	0	111.8	L177 N178 Y183 R184 R185	L177-S181 WeakPolarHBondContact O-CB 3.41Å; L177-S181 PolarHBondContact O-N 3.04Å; N178-S181 PolarHBondContact O-N 3Å; S181-Y183 VanDerWaalsContact C-N 3.3Å; S181-Y183 PolarHBondContact O-N 2.91Å; S181-R184 PolarHBondContact O-N 3.48Å; S181-R185 WeakPolarHBondContact O-CB 3.36Å; S181-R185 PolarHBondContact O-N 2.68Å
182	D	84.7	Confident	86.2	Confident	59 Å²	59	49 Å²	49	32%	0.316	25%	0.254	S	S	.	.	H	α-helix	trans	-61.2	-39	177.2	-76.9	-8.8	0	0	0	112.6	N178 V179 R185 K186	N178-D182 WeakPolarHBondContact O-CB 3.3Å; N178-D182 VanDerWaalsContact O-CG 3.24Å; N178-D182 PolarHBondContact O-N 2.83Å; V179-D182 PolarHBondContact O-N 3.06Å; D182-R185 IonicContact OD1-CZ 3.58Å; D182-R185 IonicContact OD1-NH1 3.24Å; D182-R185 PolarHBondContact OD1-NH1 3.38Å; D182-R185 IonicContact OD1-NH2 3.77Å; D182-R185 PolarHBondContact OD1-NH2 3.29Å; D182-K186 WeakPolarHBondContact O-CG 3.24Å; D182-K186 PolarHBondContact O-N 3.08Å
183	Y	85.4	Confident	86.7	Confident	40 Å²	40	46.5 Å²	46.5	16%	0.157	24%	0.242	C	C	.	.	H	α-helix	trans	-68.4	-46.8	177.4	177	-91.5	0	0	0	112.1	V162 N163 K165 V167 V179 R180 S181 R185 K186 K187	V162-Y183 HydrophobicContact CB-CE2 4.25Å; V162-Y183 HydrophobicContact CG1-CD2 4.18Å; V162-Y183 HydrophobicContact CG1-CE1 4.3Å; V162-Y183 HydrophobicContact CG1-CE2 3.29Å; V162-Y183 WeakPolarHBondContact CG1-OH 3.48Å; V162-Y183 WeakPolarHBondContact O-CE2 3.33Å; V162-Y183 PolarHBondContact O-OH 2.8Å; N163-Y183 WeakPolarHBondContact CA-OH 3.48Å; N163-Y183 PolarHBondContact N-OH 3.35Å; N163-Y183 PolarHBondContact OD1-OH 2.92Å; K165-Y183 HydrophobicContact CB-CE2 4.29Å; V167-Y183 HydrophobicContact CG2-CD2 4.28Å; V167-Y183 HydrophobicContact CG2-CG 4.15Å; V179-Y183 WeakPolarHBondContact O-CB 3.42Å; V179-Y183 PolarHBondContact O-N 2.91Å; R180-Y183 PolarHBondContact O-N 2.82Å; S181-Y183 VanDerWaalsContact C-N 3.3Å; S181-Y183 PolarHBondContact O-N 2.91Å; Y183-R185 VanDerWaalsContact C-N 3.32Å; Y183-R185 PolarHBondContact O-N 2.93Å; Y183-K186 PolarHBondContact O-N 2.84Å; Y183-K187 PolarHBondContact O-N 3.39Å
184	R	87.5	Confident	87.1	Confident	42 Å²	42	44.7 Å²	44.7	16%	0.158	23%	0.229	C	C	.	.	H	α-helix	trans	-58.7	-44.8	174.5	-74.5	-167.4	-61.6	-89.1	2.7	111.5	R180 S181 K186 K187 I188 D354 N356 E359	R180-R184 WeakPolarHBondContact O-CG 3.38Å; R180-R184 PolarHBondContact O-N 2.6Å; S181-R184 PolarHBondContact O-N 3.48Å; R184-K186 PolarHBondContact O-N 2.84Å; R184-K187 WeakPolarHBondContact O-CA 3.36Å; R184-K187 WeakPolarHBondContact O-CB 3.5Å; R184-K187 PolarHBondContact O-N 3.12Å; R184-K187 VanDerWaalsContact O-N 3.13Å; R184-I188 WeakPolarHBondContact O-CG1 3.46Å; R184-I188 PolarHBondContact O-N 2.73Å; R184-D354 IonicContact CZ-OD2 2.69Å; R184-D354 IonicContact NE-OD1 2.86Å; R184-D354 IonicContact NE-OD2 3.34Å; R184-D354 PolarHBondContact NE-OD2 3.31Å; R184-N356 PolarHBondContact NH2-O 3.42Å; R184-E359 IonicContact CZ-OE1 2.72Å; R184-E359 VanDerWaalsContact CZ-OE1 3.24Å; R184-E359 IonicContact NH1-OE1 3.07Å; R184-E359 PolarHBondContact NH1-OE1 3.33Å; R184-E359 IonicContact NH2-OE1 2.8Å; R184-E359 PolarHBondContact NH2-OE1 3.25Å
185	R	87.8	Confident	87.6	Confident	24 Å²	24	39.8 Å²	39.8	9%	0.091	20%	0.199	C	C	.	.	H	α-helix	trans	-60.6	-43.5	178	-174.2	176.2	64.1	-110.4	-4.3	112.3	S181 D182 Y183 K187 I188 S189 R218 A267	S181-R185 WeakPolarHBondContact O-CB 3.36Å; S181-R185 PolarHBondContact O-N 2.68Å; D182-R185 IonicContact OD1-CZ 3.58Å; D182-R185 IonicContact OD1-NH1 3.24Å; D182-R185 PolarHBondContact OD1-NH1 3.38Å; D182-R185 IonicContact OD1-NH2 3.77Å; D182-R185 PolarHBondContact OD1-NH2 3.29Å; Y183-R185 VanDerWaalsContact C-N 3.32Å; Y183-R185 PolarHBondContact O-N 2.93Å; R185-K187 VanDerWaalsContact C-N 3.31Å; R185-K187 PolarHBondContact O-N 3.28Å; R185-I188 PolarHBondContact O-N 2.97Å; R185-S189 WeakPolarHBondContact O-CB 3.45Å; R185-S189 PolarHBondContact O-N 3.03Å; R185-R218 VanDerWaalsContact CZ-CD 3.47Å; R185-A267 HydrophobicContact CG-CB 4.24Å
186	K	87.5	Confident	87.9	Confident	117 Å²	117	35.9 Å²	35.9	51%	0.509	18%	0.176	S	C	.	.	H	α-helix	trans	-58.9	-43.6	173.7	-75.4	173	-176.3	176.6	0	111.7	D182 Y183 R184 S189 M190	D182-K186 WeakPolarHBondContact O-CG 3.24Å; D182-K186 PolarHBondContact O-N 3.08Å; Y183-K186 PolarHBondContact O-N 2.84Å; R184-K186 PolarHBondContact O-N 2.84Å; K186-S189 PolarHBondContact O-N 3.49Å; K186-M190 VanDerWaalsContact O-CG 3.27Å; K186-M190 WeakPolarHBondContact O-CG 3.42Å; K186-M190 PolarHBondContact O-N 3.25Å
187	K	88	Confident	88.1	Confident	47 Å²	47	41.5 Å²	41.5	20%	0.204	20%	0.196	C	C	.	.	H	α-helix	trans	-59.6	-46.8	174.6	170.2	172.5	-175.9	-166.2	0	111.7	L159 Y183 R184 R185 M190 I191	L159-K187 HydrophobicContact CD2-CB 4.39Å; L159-K187 HydrophobicContact CD2-CD 3.96Å; L159-K187 HydrophobicContact CD2-CG 3.73Å; Y183-K187 PolarHBondContact O-N 3.39Å; R184-K187 WeakPolarHBondContact O-CA 3.36Å; R184-K187 WeakPolarHBondContact O-CB 3.5Å; R184-K187 PolarHBondContact O-N 3.12Å; R184-K187 VanDerWaalsContact O-N 3.13Å; R185-K187 VanDerWaalsContact C-N 3.31Å; R185-K187 PolarHBondContact O-N 3.28Å; K187-M190 PolarHBondContact O-N 3.32Å; K187-I191 HydrophobicContact CG-CD1 3.99Å; K187-I191 VanDerWaalsContact O-CG1 3.3Å; K187-I191 WeakPolarHBondContact O-CG1 3.43Å; K187-I191 PolarHBondContact O-N 3.13Å; K187-I191 VanDerWaalsContact O-N 3.08Å
188	I	92	Very high	88.4	Confident	10 Å²	10	39.3 Å²	39.3	5%	0.051	18%	0.184	C	C	.	.	H	α-helix	trans	-60.1	-48.2	177.3	-69.3	169.7	0	0	0	110.7	R184 R185 M190 I191 M192 A267 W268 V352 D354 M421	R184-I188 WeakPolarHBondContact O-CG1 3.46Å; R184-I188 PolarHBondContact O-N 2.73Å; R185-I188 PolarHBondContact O-N 2.97Å; I188-M190 PolarHBondContact O-N 2.78Å; I188-I191 PolarHBondContact O-N 3.06Å; I188-M192 HydrophobicContact CG2-CG 4.37Å; I188-M192 WeakPolarHBondContact O-CG 3.42Å; I188-M192 PolarHBondContact O-N 2.56Å; I188-A267 HydrophobicContact CD1-CB 4.03Å; I188-A267 HydrophobicContact CG2-CB 4.09Å; I188-W268 HydrophobicContact CG2-CB 4.38Å; I188-V352 HydrophobicContact CG2-CB 4.07Å; I188-V352 HydrophobicContact CG2-CG1 3.55Å; I188-D354 HydrophobicContact CD1-CB 3.64Å; I188-M421 HydrophobicContact CB-SD 4.31Å; I188-M421 HydrophobicContact CD1-CB 4.42Å; I188-M421 HydrophobicContact CG1-SD 3.82Å; I188-M421 HydrophobicContact CG2-SD 3.92Å
189	S	91.9	Very high	88.6	Confident	4 Å²	4	35.2 Å²	35.2	3%	0.028	16%	0.163	C	C	.	.	H	α-helix	trans	-60	-46.5	179	-175.7	0	0	0	0	111.7	R185 K186 I191 M192 E193 E217	R185-S189 WeakPolarHBondContact O-CB 3.45Å; R185-S189 PolarHBondContact O-N 3.03Å; K186-S189 PolarHBondContact O-N 3.49Å; S189-I191 VanDerWaalsContact C-N 3.32Å; S189-I191 PolarHBondContact O-N 2.97Å; S189-M192 PolarHBondContact O-N 3.49Å; S189-E193 WeakPolarHBondContact O-CB 3.47Å; S189-E193 WeakPolarHBondContact O-CG 3.36Å; S189-E193 PolarHBondContact O-N 2.65Å; S189-E217 WeakPolarHBondContact CB-OE1 3.48Å; S189-E217 PolarHBondContact OG-OE1 3.45Å
190	M	90.2	Very high	88.6	Confident	44 Å²	44	34.9 Å²	34.9	22%	0.217	16%	0.158	C	C	.	.	H	α-helix	trans	-58.4	-41.7	176.4	-72	174.3	71.1	0	0	112.7	L154 E158 V162 K186 K187 I188 T194	L154-M190 HydrophobicContact CD1-CB 4.4Å; L154-M190 HydrophobicContact CD1-CE 4.3Å; E158-M190 HydrophobicContact CB-CE 3.83Å; V162-M190 HydrophobicContact CG2-CE 3.84Å; V162-M190 HydrophobicContact CG2-SD 3.63Å; K186-M190 VanDerWaalsContact O-CG 3.27Å; K186-M190 WeakPolarHBondContact O-CG 3.42Å; K186-M190 PolarHBondContact O-N 3.25Å; K187-M190 PolarHBondContact O-N 3.32Å; I188-M190 PolarHBondContact O-N 2.78Å; M190-T194 WeakPolarHBondContact O-CB 3.39Å; M190-T194 PolarHBondContact O-N 2.79Å; M190-T194 VanDerWaalsContact O-N 3.12Å; M190-T194 PolarHBondContact O-OG1 2.94Å
191	I	91.8	Very high	88.5	Confident	5 Å²	5	37.2 Å²	37.2	3%	0.026	18%	0.177	C	C	.	.	H	α-helix	trans	-61.9	-51.9	174.7	-66.7	164.6	0	0	0	110.2	L151 L154 K187 I188 S189 T194 V195 M421 L460	L151-I191 HydrophobicContact CD2-CG2 4.38Å; L154-I191 HydrophobicContact CD2-CB 4.31Å; L154-I191 HydrophobicContact CD2-CG1 3.82Å; K187-I191 HydrophobicContact CG-CD1 3.99Å; K187-I191 VanDerWaalsContact O-CG1 3.3Å; K187-I191 WeakPolarHBondContact O-CG1 3.43Å; K187-I191 PolarHBondContact O-N 3.13Å; K187-I191 VanDerWaalsContact O-N 3.08Å; I188-I191 PolarHBondContact O-N 3.06Å; S189-I191 VanDerWaalsContact C-N 3.32Å; S189-I191 PolarHBondContact O-N 2.97Å; I191-T194 WeakPolarHBondContact O-CB 3.45Å; I191-T194 PolarHBondContact O-N 2.98Å; I191-T194 VanDerWaalsContact O-N 3.13Å; I191-V195 WeakPolarHBondContact O-CG2 3.11Å; I191-V195 PolarHBondContact O-N 3.09Å; I191-M421 HydrophobicContact CG2-CE 4.23Å; I191-L460 HydrophobicContact CD1-CD2 4.24Å; I191-L460 HydrophobicContact CG2-CD2 4.39Å
192	M	93.5	Very high	88.2	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-69.4	-37	-175.4	-67.7	-52.2	-60.3	0	0	113.5	I188 S189 T194 V195 Y196 W268 L350 V352 I419 M421	I188-M192 HydrophobicContact CG2-CG 4.37Å; I188-M192 WeakPolarHBondContact O-CG 3.42Å; I188-M192 PolarHBondContact O-N 2.56Å; S189-M192 PolarHBondContact O-N 3.49Å; M192-T194 VanDerWaalsContact C-N 3.26Å; M192-T194 PolarHBondContact O-N 2.95Å; M192-V195 WeakPolarHBondContact O-CB 3.21Å; M192-V195 PolarHBondContact O-N 3.43Å; M192-Y196 WeakPolarHBondContact O-CB 3.33Å; M192-Y196 PolarHBondContact O-N 3.5Å; M192-W268 HydrophobicContact CB-CD2 3.66Å; M192-W268 HydrophobicContact CB-CE3 4.15Å; M192-W268 HydrophobicContact CB-CG 3.94Å; M192-W268 HydrophobicContact CB-CH2 4.4Å; M192-W268 HydrophobicContact CB-CZ2 4Å; M192-W268 HydrophobicContact CB-CZ3 4.48Å; M192-W268 HydrophobicContact CE-CE3 4.12Å; M192-W268 HydrophobicContact CE-CH2 4.16Å; M192-W268 HydrophobicContact CE-CZ3 3.8Å; M192-W268 HydrophobicContact CG-CD2 4.07Å; M192-W268 HydrophobicContact CG-CE3 4.23Å; M192-W268 HydrophobicContact CG-CG 4.25Å; M192-L350 HydrophobicContact CE-CD2 3.89Å; M192-V352 HydrophobicContact CE-CG2 4Å; M192-V352 HydrophobicContact CG-CG2 3.66Å; M192-V352 HydrophobicContact SD-CG2 3.82Å; M192-I419 HydrophobicContact CE-CD1 3.68Å; M192-I419 HydrophobicContact SD-CD1 4Å; M192-M421 HydrophobicContact CG-CE 4.24Å; M192-M421 HydrophobicContact SD-CE 3.63Å
193	E	91.2	Very high	87.4	Confident	52 Å²	52	37.5 Å²	37.5	24%	0.243	19%	0.194	C	C	.	.	H	α-helix	trans	-63.8	-34	171.2	-72.1	-170.5	178.3	0	0	111.9	S189 Y196 R197	S189-E193 WeakPolarHBondContact O-CB 3.47Å; S189-E193 WeakPolarHBondContact O-CG 3.36Å; S189-E193 PolarHBondContact O-N 2.65Å; E193-Y196 PolarHBondContact O-N 3.11Å; E193-R197 WeakPolarHBondContact O-CB 3.49Å; E193-R197 VanDerWaalsContact O-CG 3.22Å; E193-R197 WeakPolarHBondContact O-CG 3.07Å; E193-R197 PolarHBondContact O-N 3.23Å; E193-R197 IonicContact OE2-CZ 2.9Å; E193-R197 IonicContact OE2-NH1 3.89Å; E193-R197 PolarHBondContact OE2-NH1 2.83Å; E193-R197 IonicContact OE2-NH2 3.62Å; E193-R197 PolarHBondContact OE2-NH2 3.14Å
194	T	91	Very high	86.5	Confident	13 Å²	13	38 Å²	38	8%	0.08	20%	0.201	C	C	.	.	H	α-helix	trans	-68.2	-43	175.3	-59.8	0	0	0	0	110.8	Y150 L151 L154 M190 I191 M192 R197 S198	Y150-T194 HydrophobicContact CD1-CG2 4.36Å; L151-T194 HydrophobicContact CD2-CG2 4.26Å; L154-T194 HydrophobicContact CB-CG2 4.31Å; L154-T194 HydrophobicContact CD2-CG2 4.34Å; M190-T194 WeakPolarHBondContact O-CB 3.39Å; M190-T194 PolarHBondContact O-N 2.79Å; M190-T194 VanDerWaalsContact O-N 3.12Å; M190-T194 PolarHBondContact O-OG1 2.94Å; I191-T194 WeakPolarHBondContact O-CB 3.45Å; I191-T194 PolarHBondContact O-N 2.98Å; I191-T194 VanDerWaalsContact O-N 3.13Å; M192-T194 VanDerWaalsContact C-N 3.26Å; M192-T194 PolarHBondContact O-N 2.95Å; T194-R197 PolarHBondContact O-N 3.45Å; T194-S198 PolarHBondContact O-N 2.91Å
195	V	91.3	Very high	85.3	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-56.8	-53.1	171.7	175.7	0	0	0	0	109.6	L147 L151 I191 M192 R197 S198 F199 L483 M487	L147-V195 HydrophobicContact CD1-CB 4.23Å; L147-V195 HydrophobicContact CD1-CG1 4.31Å; L147-V195 HydrophobicContact CD1-CG2 3.92Å; L151-V195 HydrophobicContact CD2-CG2 4.34Å; I191-V195 WeakPolarHBondContact O-CG2 3.11Å; I191-V195 PolarHBondContact O-N 3.09Å; M192-V195 WeakPolarHBondContact O-CB 3.21Å; M192-V195 PolarHBondContact O-N 3.43Å; V195-R197 PolarHBondContact O-N 3.3Å; V195-S198 WeakPolarHBondContact O-CB 3.1Å; V195-S198 PolarHBondContact O-N 2.85Å; V195-S198 VanDerWaalsContact O-N 3.08Å; V195-S198 PolarHBondContact O-OG 3.39Å; V195-F199 HydrophobicContact CG1-CD2 4.1Å; V195-F199 HydrophobicContact CG1-CE2 3.97Å; V195-F199 VanDerWaalsContact O-CD2 3.31Å; V195-F199 WeakPolarHBondContact O-CD2 3.32Å; V195-F199 PolarHBondContact O-N 2.8Å; V195-L483 HydrophobicContact CG2-CD1 4.02Å; V195-M487 HydrophobicContact CG1-CG 3.83Å; V195-M487 HydrophobicContact CG1-SD 4.26Å
196	Y	89.9	Confident	84.4	Confident	38 Å²	38	43.3 Å²	43.3	15%	0.149	23%	0.229	C	C	.	.	H	α-helix	trans	-56.2	-47.6	178.8	-178.9	-91.6	0	0	0	112.7	M192 E193 S198 F199 L200 V208 T213 I215 L270 M487	M192-Y196 WeakPolarHBondContact O-CB 3.33Å; M192-Y196 PolarHBondContact O-N 3.5Å; E193-Y196 PolarHBondContact O-N 3.11Å; Y196-S198 VanDerWaalsContact C-N 3.29Å; Y196-S198 PolarHBondContact O-N 3.41Å; Y196-F199 PolarHBondContact O-N 2.97Å; Y196-L200 HydrophobicContact CD1-CD1 3.76Å; Y196-L200 HydrophobicContact CD1-CG 4.34Å; Y196-L200 HydrophobicContact CE1-CD1 3.35Å; Y196-L200 HydrophobicContact CE1-CG 4.02Å; Y196-L200 PolarHBondContact O-N 3.48Å; Y196-L200 VanDerWaalsContact O-N 3.09Å; Y196-V208 HydrophobicContact CD1-CG1 4.49Å; Y196-V208 HydrophobicContact CD2-CB 4.43Å; Y196-V208 HydrophobicContact CD2-CG1 3.76Å; Y196-V208 HydrophobicContact CD2-CG2 3.73Å; Y196-V208 HydrophobicContact CE1-CG1 4Å; Y196-V208 HydrophobicContact CE2-CB 4Å; Y196-V208 HydrophobicContact CE2-CG1 3.17Å; Y196-V208 HydrophobicContact CE2-CG2 3.6Å; Y196-V208 HydrophobicContact CG-CG1 4.38Å; Y196-T213 PolarHBondContact OH-OG1 2.87Å; Y196-T213 VanDerWaalsContact OH-OG1 3.05Å; Y196-I215 HydrophobicContact CD1-CD1 3.79Å; Y196-I215 HydrophobicContact CD2-CD1 3.8Å; Y196-I215 HydrophobicContact CD2-CG1 4.44Å; Y196-I215 HydrophobicContact CE1-CD1 3.85Å; Y196-I215 HydrophobicContact CE2-CD1 3.85Å; Y196-I215 HydrophobicContact CE2-CG1 4.29Å; Y196-I215 HydrophobicContact CG-CD1 3.76Å; Y196-L270 HydrophobicContact CD2-CD1 4.13Å; Y196-L270 HydrophobicContact CE2-CD1 3.79Å; Y196-M487 HydrophobicContact CD2-CE 4.28Å
197	R	88	Confident	83.5	Confident	122 Å²	122	38.4 Å²	38.4	46%	0.46	21%	0.208	S	C	.	.	H	α-helix	trans	-61.3	-35.5	176.1	-75.7	177.6	-171.5	109.8	9	112.7	E193 T194 V195 F199 L200 S201	E193-R197 WeakPolarHBondContact O-CB 3.49Å; E193-R197 VanDerWaalsContact O-CG 3.22Å; E193-R197 WeakPolarHBondContact O-CG 3.07Å; E193-R197 PolarHBondContact O-N 3.23Å; E193-R197 IonicContact OE2-CZ 2.9Å; E193-R197 IonicContact OE2-NH1 3.89Å; E193-R197 PolarHBondContact OE2-NH1 2.83Å; E193-R197 IonicContact OE2-NH2 3.62Å; E193-R197 PolarHBondContact OE2-NH2 3.14Å; T194-R197 PolarHBondContact O-N 3.45Å; V195-R197 PolarHBondContact O-N 3.3Å; R197-F199 VanDerWaalsContact C-N 3.34Å; R197-L200 PolarHBondContact O-N 2.84Å; R197-S201 WeakPolarHBondContact O-CB 3.2Å; R197-S201 PolarHBondContact O-N 3.42Å; R197-S201 PolarHBondContact O-OG 3.12Å
198	S	88.1	Confident	82.7	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-64.9	-38.5	178.2	78.4	0	0	0	0	111.9	L147 T194 V195 Y196 S201 A202	L147-S198 VanDerWaalsContact CD1-OG 3.3Å; L147-S198 WeakPolarHBondContact CD1-OG 3.36Å; T194-S198 PolarHBondContact O-N 2.91Å; V195-S198 WeakPolarHBondContact O-CB 3.1Å; V195-S198 PolarHBondContact O-N 2.85Å; V195-S198 VanDerWaalsContact O-N 3.08Å; V195-S198 PolarHBondContact O-OG 3.39Å; Y196-S198 VanDerWaalsContact C-N 3.29Å; Y196-S198 PolarHBondContact O-N 3.41Å; S198-S201 PolarHBondContact O-N 2.76Å; S198-A202 VanDerWaalsContact O-CB 3.27Å; S198-A202 WeakPolarHBondContact O-CB 3.39Å; S198-A202 PolarHBondContact O-N 2.75Å
199	F	86.4	Confident	81.6	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-72	-37.3	176.6	-80.5	-79.9	0	0	0	112.6	L147 V195 Y196 R197 S201 N209 T484 M487 L488	L147-F199 HydrophobicContact CD2-CE2 4.12Å; V195-F199 HydrophobicContact CG1-CD2 4.1Å; V195-F199 HydrophobicContact CG1-CE2 3.97Å; V195-F199 VanDerWaalsContact O-CD2 3.31Å; V195-F199 WeakPolarHBondContact O-CD2 3.32Å; V195-F199 PolarHBondContact O-N 2.8Å; Y196-F199 PolarHBondContact O-N 2.97Å; R197-F199 VanDerWaalsContact C-N 3.34Å; F199-S201 VanDerWaalsContact C-N 3.3Å; F199-S201 PolarHBondContact O-N 3.42Å; F199-N209 PolarHBondContact O-ND2 3.27Å; F199-T484 HydrophobicContact CE1-CG2 4.33Å; F199-T484 HydrophobicContact CZ-CG2 4Å; F199-M487 HydrophobicContact CB-CE 4.44Å; F199-M487 HydrophobicContact CD1-CB 4.44Å; F199-M487 HydrophobicContact CD2-CB 3.89Å; F199-M487 HydrophobicContact CD2-CE 3.94Å; F199-M487 HydrophobicContact CD2-CG 3.87Å; F199-M487 HydrophobicContact CE1-CB 4.2Å; F199-M487 HydrophobicContact CE2-CB 3.64Å; F199-M487 HydrophobicContact CE2-CG 3.67Å; F199-M487 HydrophobicContact CG-CB 4.32Å; F199-M487 HydrophobicContact CG-CE 4.33Å; F199-M487 HydrophobicContact CZ-CB 3.84Å; F199-M487 HydrophobicContact CZ-CG 4.34Å; F199-L488 HydrophobicContact CD1-CD2 4.01Å; F199-L488 HydrophobicContact CE1-CD1 4.31Å; F199-L488 HydrophobicContact CE1-CD2 3.73Å; F199-L488 HydrophobicContact CE1-CG 3.86Å
200	L	83.8	Confident	80.6	Confident	75 Å²	75	43.7 Å²	43.7	39%	0.393	24%	0.236	S	C	.	.	H	α-helix	trans	-58	-44.4	168.8	-76.7	174.7	0	0	0	111.6	Y196 R197 V208 N209	Y196-L200 HydrophobicContact CD1-CD1 3.76Å; Y196-L200 HydrophobicContact CD1-CG 4.34Å; Y196-L200 HydrophobicContact CE1-CD1 3.35Å; Y196-L200 HydrophobicContact CE1-CG 4.02Å; Y196-L200 PolarHBondContact O-N 3.48Å; Y196-L200 VanDerWaalsContact O-N 3.09Å; R197-L200 PolarHBondContact O-N 2.84Å; L200-V208 HydrophobicContact CD2-CG1 3.51Å; L200-V208 HydrophobicContact CG-CG1 3.66Å; L200-N209 WeakPolarHBondContact CA-OD1 3.31Å; L200-N209 WeakPolarHBondContact CD2-OD1 3.21Å
201	S	84	Confident	79.9	Confident	66 Å²	66	42.7 Å²	42.7	46%	0.462	23%	0.231	S	C	.	.	H	α-helix	trans	-76	-31.7	-175.9	-51.8	0	0	0	0	112.8	Y150 R197 S198 F199 G203	Y150-S201 PolarHBondContact OH-OG 3.13Å; R197-S201 WeakPolarHBondContact O-CB 3.2Å; R197-S201 PolarHBondContact O-N 3.42Å; R197-S201 PolarHBondContact O-OG 3.12Å; S198-S201 PolarHBondContact O-N 2.76Å; F199-S201 VanDerWaalsContact C-N 3.3Å; F199-S201 PolarHBondContact O-N 3.42Å; S201-G203 PolarHBondContact O-N 3.05Å
202	A	79.2	Confident	79.4	Confident	28 Å²	28	45.8 Å²	45.8	23%	0.231	25%	0.253	C	S	.	.	H	α-helix	trans	-68.9	-17.8	-178.9	0	0	0	0	0	112.9	I146 S198 T204	I146-A202 HydrophobicContact CD1-CB 3.74Å; S198-A202 VanDerWaalsContact O-CB 3.27Å; S198-A202 WeakPolarHBondContact O-CB 3.39Å; S198-A202 PolarHBondContact O-N 2.75Å; A202-T204 HydrophobicContact CB-CG2 3.93Å; A202-T204 PolarHBondContact O-N 2.76Å
203	G	67.2	Low	79.1	Confident	60 Å²	60	47 Å²	47	62%	0.619	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.9	12.5	-176.4	0	0	0	0	0	113.4	S201	S201-G203 PolarHBondContact O-N 3.05Å
204	T	65.5	Low	78.9	Confident	49 Å²	49	46.9 Å²	46.9	30%	0.301	26%	0.26	S	S	.	.			trans	-61.3	146.5	173.9	47.5	0	0	0	0	109.3	A202 S206 N209	A202-T204 HydrophobicContact CB-CG2 3.93Å; A202-T204 PolarHBondContact O-N 2.76Å; T204-S206 PolarHBondContact O-N 2.93Å; T204-S206 PolarHBondContact O-OG 3.01Å; T204-N209 PolarHBondContact O-ND2 2.86Å
205	E	64.2	Low	78.9	Confident	177 Å²	177	48.7 Å²	48.7	83%	0.827	27%	0.269	S	S	*	.	S	Bend	trans	-63.5	63.1	168.1	-65.1	-179.8	177.4	0	0	110.2
206	S	68.6	Low	78.7	Confident	1 Å²	1	50 Å²	50	1%	0.007	28%	0.276	C	S	.	.			trans	-94.5	152.6	177.8	68	0	0	0	0	108.6	T204 V208 N209	T204-S206 PolarHBondContact O-N 2.93Å; T204-S206 PolarHBondContact O-OG 3.01Å; S206-V208 PolarHBondContact O-N 3Å; S206-N209 PolarHBondContact O-N 2.78Å
207	L	68.7	Low	78.6	Confident	14 Å²	14	52 Å²	52	7%	0.073	29%	0.287	C	S	.	.	H	α-helix	trans	-46.9	-33.5	174.8	-63.7	-177.9	0	0	0	113.1	L211 L276 L349 H489 V491	L207-L211 HydrophobicContact CD2-CD1 4.38Å; L207-L211 WeakPolarHBondContact O-CB 3.43Å; L207-L211 PolarHBondContact O-N 2.83Å; L207-L276 HydrophobicContact CD1-CD2 4.26Å; L207-L349 HydrophobicContact CD1-CD1 4.32Å; L207-H489 WeakPolarHBondContact CD1-O 3.2Å; L207-H489 WeakPolarHBondContact CG-O 3.45Å; L207-V491 HydrophobicContact CD1-CG1 3.93Å; L207-V491 HydrophobicContact CD2-CB 3.95Å; L207-V491 HydrophobicContact CD2-CG1 3.41Å; L207-V491 VanDerWaalsContact CD2-CG1 3.41Å; L207-V491 HydrophobicContact CD2-CG2 3.64Å; L207-V491 HydrophobicContact CG-CG1 4.27Å
208	V	71	Confident	78.5	Confident	7 Å²	7	51.6 Å²	51.6	4%	0.042	29%	0.285	C	S	.	.	H	α-helix	trans	-71.6	-34.1	-176.1	177.6	0	0	0	0	113.1	Y196 L200 S206 L270 M487	Y196-V208 HydrophobicContact CD1-CG1 4.49Å; Y196-V208 HydrophobicContact CD2-CB 4.43Å; Y196-V208 HydrophobicContact CD2-CG1 3.76Å; Y196-V208 HydrophobicContact CD2-CG2 3.73Å; Y196-V208 HydrophobicContact CE1-CG1 4Å; Y196-V208 HydrophobicContact CE2-CB 4Å; Y196-V208 HydrophobicContact CE2-CG1 3.17Å; Y196-V208 HydrophobicContact CE2-CG2 3.6Å; Y196-V208 HydrophobicContact CG-CG1 4.38Å; L200-V208 HydrophobicContact CD2-CG1 3.51Å; L200-V208 HydrophobicContact CG-CG1 3.66Å; S206-V208 PolarHBondContact O-N 3Å; V208-L270 HydrophobicContact CG2-CD2 4.29Å; V208-M487 HydrophobicContact CG2-CE 3.53Å
209	N	69.2	Low	78.3	Confident	63 Å²	63	51.8 Å²	51.8	34%	0.337	29%	0.287	S	S	.	.	H	α-helix	trans	-80.9	-30.7	-177.3	-80.2	-24.8	0	0	0	112.5	F199 L200 T204 S206	F199-N209 PolarHBondContact O-ND2 3.27Å; L200-N209 WeakPolarHBondContact CA-OD1 3.31Å; L200-N209 WeakPolarHBondContact CD2-OD1 3.21Å; T204-N209 PolarHBondContact O-ND2 2.86Å; S206-N209 PolarHBondContact O-N 2.78Å
210	E	69.6	Low	78.4	Confident	102 Å²	102	52.9 Å²	52.9	48%	0.477	29%	0.294	S	S	.	.	H	α-helix	trans	-95	-21.8	-170.9	-61.4	-175.9	156.4	0	0	113.6	K493	E210-K493 IonicContact OE2-NZ 3.28Å; E210-K493 PolarHBondContact OE2-NZ 3.01Å
211	L	75.9	Confident	78.7	Confident	23 Å²	23	49.3 Å²	49.3	12%	0.12	28%	0.275	C	S	.	.	S	Bend	trans	-121.7	147.4	-169.4	-56.7	171.8	0	0	0	111.3	L207 T213 F274 V491 K493	L207-L211 HydrophobicContact CD2-CD1 4.38Å; L207-L211 WeakPolarHBondContact O-CB 3.43Å; L207-L211 PolarHBondContact O-N 2.83Å; L211-T213 HydrophobicContact CB-CG2 4.24Å; L211-T213 PolarHBondContact O-N 2.94Å; L211-F274 HydrophobicContact CD1-CD2 4.2Å; L211-F274 HydrophobicContact CD2-CD2 3.57Å; L211-F274 HydrophobicContact CD2-CE2 3.57Å; L211-V491 HydrophobicContact CD1-CG1 4.41Å; L211-V491 HydrophobicContact CD1-CG2 3.66Å; L211-K493 HydrophobicContact CD2-CD 4.45Å
212	S	81.9	Confident	78.9	Confident	70 Å²	70	46.5 Å²	46.5	49%	0.49	26%	0.255	S	S	.	.			trans	-68.8	95.5	166.4	-61.9	0	0	0	0	109.1	P273 C345	S212-P273 WeakPolarHBondContact O-CD 3.26Å; S212-C345 PolarHBondContact O-SG 2.84Å; S212-C345 VanDerWaalsContact O-SG 3.34Å
213	T	86	Confident	79.4	Confident	26 Å²	26	45.2 Å²	45.2	16%	0.16	24%	0.244	C	C	.	.			trans	-99.7	150.4	178.4	58.3	0	0	0	0	112.3	Y196 L211 L270 R271 L349	Y196-T213 PolarHBondContact OH-OG1 2.87Å; Y196-T213 VanDerWaalsContact OH-OG1 3.05Å; L211-T213 HydrophobicContact CB-CG2 4.24Å; L211-T213 PolarHBondContact O-N 2.94Å; T213-L270 HydrophobicContact CG2-CD1 4.35Å; T213-R271 CarbonylContact C-O 3.6Å; T213-R271 VanDerWaalsContact CA-O 3.24Å; T213-R271 WeakPolarHBondContact CA-O 3.31Å; T213-R271 WeakPolarHBondContact CB-O 3.43Å; T213-L349 HydrophobicContact CG2-CD1 4.45Å
214	Q	88.3	Confident	80.4	Confident	51 Å²	51	42.6 Å²	42.6	24%	0.238	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	136.9	174	-177.9	166.8	-13.5	0	0	110.9	D216 R271 D343 C345	Q214-D216 PolarHBondContact NE2-OD1 2.83Å; Q214-R271 PolarHBondContact N-O 3.02Å; Q214-R271 PolarHBondContact O-N 3.31Å; Q214-D343 PolarHBondContact OE1-OD2 3.35Å; Q214-C345 HydrophobicContact CB-CB 4.05Å
215	I	89.8	Confident	81.5	Confident	51 Å²	51	40.4 Å²	40.4	26%	0.262	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	129.2	172.9	-63.6	170.7	0	0	0	108	Y196 W268 Q269 L270	Y196-I215 HydrophobicContact CD1-CD1 3.79Å; Y196-I215 HydrophobicContact CD2-CD1 3.8Å; Y196-I215 HydrophobicContact CD2-CG1 4.44Å; Y196-I215 HydrophobicContact CE1-CD1 3.85Å; Y196-I215 HydrophobicContact CE2-CD1 3.85Å; Y196-I215 HydrophobicContact CE2-CG1 4.29Å; Y196-I215 HydrophobicContact CG-CD1 3.76Å; I215-W268 HydrophobicContact CB-CZ2 4.49Å; I215-W268 HydrophobicContact CD1-CZ2 4.02Å; I215-W268 HydrophobicContact CG1-CZ2 3.91Å; I215-W268 HydrophobicContact CG2-CD2 4.5Å; I215-W268 HydrophobicContact CG2-CZ2 3.84Å; I215-Q269 WeakPolarHBondContact CA-O 3.41Å; I215-L270 HydrophobicContact CG1-CD1 3.93Å
216	D	88.1	Confident	82.8	Confident	28 Å²	28	32 Å²	32	15%	0.15	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	148.1	169.7	-46	-61.8	0	0	0	111.3	Q214 W268 Q269 R271	Q214-D216 PolarHBondContact NE2-OD1 2.83Å; D216-W268 CarbonylContact O-C 3.57Å; D216-W268 WeakPolarHBondContact O-CA 3.27Å; D216-Q269 HydrophobicContact CB-CG 3.86Å; D216-Q269 PolarHBondContact N-O 3.48Å; D216-Q269 PolarHBondContact O-N 2.87Å; D216-Q269 PolarHBondContact OD2-NE2 3.38Å; D216-R271 IonicContact OD1-NH2 2.75Å; D216-R271 PolarHBondContact OD1-NH2 3.28Å; D216-R271 IonicContact OD2-CZ 2.84Å; D216-R271 IonicContact OD2-NE 3.99Å; D216-R271 PolarHBondContact OD2-NE 3.19Å; D216-R271 IonicContact OD2-NH2 3.33Å; D216-R271 PolarHBondContact OD2-NH2 3.24Å
217	E	86.9	Confident	83.9	Confident	80 Å²	80	32.2 Å²	32.2	37%	0.374	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	147.7	166.7	-61.8	-176.8	175.5	0	0	109.4	S189	S189-E217 WeakPolarHBondContact CB-OE1 3.48Å; S189-E217 PolarHBondContact OG-OE1 3.45Å
218	R	85.3	Confident	84.9	Confident	113 Å²	113	33.6 Å²	33.6	43%	0.426	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	59.8	44.5	178.9	-52.1	-167.3	73.2	-172.5	-9.7	114	R185 T220 E265 L266 A267	R185-R218 VanDerWaalsContact CZ-CD 3.47Å; R218-T220 PolarHBondContact O-N 2.79Å; R218-T220 VanDerWaalsContact O-N 3.12Å; R218-E265 HydrophobicContact CB-CG 4.37Å; R218-E265 WeakPolarHBondContact CB-OE1 3.44Å; R218-E265 WeakPolarHBondContact CG-OE1 3.23Å; R218-E265 IonicContact CZ-OE1 2.68Å; R218-E265 IonicContact CZ-OE2 3.85Å; R218-E265 IonicContact NE-OE1 3.91Å; R218-E265 PolarHBondContact NE-OE1 2.9Å; R218-E265 IonicContact NE-OE2 2.71Å; R218-E265 IonicContact NH2-OE1 3.66Å; R218-E265 PolarHBondContact NH2-OE1 3.35Å; R218-E265 IonicContact NH2-OE2 3.13Å; R218-E265 PolarHBondContact NH2-OE2 3.03Å; R218-L266 CarbonylContact C-O 3.6Å; R218-L266 WeakPolarHBondContact CA-O 3.16Å; R218-L266 PolarHBondContact N-O 3.37Å; R218-A267 PolarHBondContact N-O 2.91Å
219	G	84.8	Confident	85.5	Confident	4 Å²	4	33.9 Å²	33.9	4%	0.041	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	109.6	174.9	0	0	0	0	0	110.3	E265 L266	G219-E265 CarbonylContact O-C 3.4Å; G219-E265 WeakPolarHBondContact O-CA 3.44Å; G219-L266 PolarHBondContact N-O 2.95Å; G219-L266 VanDerWaalsContact N-O 3.12Å; G219-L266 PolarHBondContact O-N 3.26Å
220	T	87.7	Confident	85.9	Confident	22 Å²	22	35.5 Å²	35.5	14%	0.135	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	133.3	176.5	55.3	0	0	0	0	110.9	R218 T320 I330 G332	R218-T220 PolarHBondContact O-N 2.79Å; R218-T220 VanDerWaalsContact O-N 3.12Å; T220-T320 HydrophobicContact CG2-CG2 4.46Å; T220-T320 VanDerWaalsContact CG2-OG1 3.28Å; T220-T320 WeakPolarHBondContact CG2-OG1 3.14Å; T220-I330 VanDerWaalsContact O-CG2 3.22Å; T220-I330 WeakPolarHBondContact O-CG2 3.37Å; T220-G332 VanDerWaalsContact O-CA 3.25Å; T220-G332 WeakPolarHBondContact O-CA 3.29Å; T220-G332 PolarHBondContact O-N 3.26Å
221	I	90	Very high	85.9	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	127.7	178	-61.3	161.6	0	0	0	108.3	R263 S264 L266 I330 T390 A393 W394	I221-R263 WeakPolarHBondContact O-CA 3.19Å; I221-S264 PolarHBondContact N-O 2.79Å; I221-S264 PolarHBondContact O-N 3.32Å; I221-S264 VanDerWaalsContact O-O 3.1Å; I221-L266 HydrophobicContact CD1-CD1 3.74Å; I221-L266 HydrophobicContact CD1-CD2 3.89Å; I221-L266 HydrophobicContact CD1-CG 3.47Å; I221-L266 VanDerWaalsContact CD1-CG 3.47Å; I221-L266 HydrophobicContact CG1-CG 4.4Å; I221-I330 VanDerWaalsContact CA-O 3.25Å; I221-I330 WeakPolarHBondContact CA-O 3.27Å; I221-T390 HydrophobicContact CD1-CG2 3.7Å; I221-A393 HydrophobicContact CG2-CB 3.63Å; I221-W394 HydrophobicContact CD1-CB 3.79Å; I221-W394 HydrophobicContact CD1-CD2 4.33Å; I221-W394 HydrophobicContact CD1-CG 3.76Å; I221-W394 HydrophobicContact CG1-CB 4.34Å; I221-W394 HydrophobicContact CG1-CG 4.19Å; I221-W394 HydrophobicContact CG2-CB 4.19Å
222	E	89.1	Confident	85.6	Confident	8 Å²	8	39.3 Å²	39.3	4%	0.037	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	136.7	175.7	-60.3	-174.8	-176.5	0	0	109.2	I262 R263 T320 R328 S329 I330	E222-I262 WeakPolarHBondContact CA-O 3.42Å; E222-R263 HydrophobicContact CG-CB 4.49Å; E222-R263 HydrophobicContact CG-CG 4.03Å; E222-T320 VanDerWaalsContact OE1-O 3.14Å; E222-R328 CarbonylContact C-O 3.54Å; E222-S329 CarbonylContact O-C 3.58Å; E222-S329 WeakPolarHBondContact O-CA 3.44Å; E222-I330 HydrophobicContact CB-CB 4.18Å; E222-I330 HydrophobicContact CB-CD1 4.32Å; E222-I330 HydrophobicContact CB-CG1 4.16Å; E222-I330 HydrophobicContact CG-CB 4.5Å; E222-I330 HydrophobicContact CG-CD1 4.1Å; E222-I330 HydrophobicContact CG-CG1 4.45Å; E222-I330 PolarHBondContact N-O 2.98Å; E222-I330 PolarHBondContact O-N 3.47Å
223	M	89.6	Confident	84.9	Confident	1 Å²	1	37 Å²	37	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	139.7	177.6	-177.1	61.8	-165.1	0	0	109.9	R261 I262 A393 Y400	M223-R261 CarbonylContact O-C 3.57Å; M223-R261 WeakPolarHBondContact O-CA 3.22Å; M223-I262 PolarHBondContact N-O 2.94Å; M223-I262 PolarHBondContact O-N 3.49Å; M223-A393 HydrophobicContact CB-CB 3.79Å; M223-Y400 HydrophobicContact CE-CD1 4.16Å; M223-Y400 HydrophobicContact CE-CD2 3.96Å; M223-Y400 HydrophobicContact CE-CE1 3.58Å; M223-Y400 HydrophobicContact CE-CE2 3.35Å; M223-Y400 HydrophobicContact CE-CG 4.33Å; M223-Y400 WeakPolarHBondContact CE-OH 3.34Å; M223-Y400 HydrophobicContact SD-CD2 4.11Å; M223-Y400 HydrophobicContact SD-CE2 4.01Å; M223-Y400 HydrophobicContact SD-CG 4.5Å
224	F	87.8	Confident	83.9	Confident	5 Å²	5	37.6 Å²	37.6	2%	0.022	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	140.1	170.5	62.8	-88.5	0	0	0	110.1	L100 F109 Y260 F312 A327 Y400	L100-F224 HydrophobicContact CD2-CE2 3.81Å; L100-F224 HydrophobicContact CD2-CZ 3.77Å; L100-F224 HydrophobicContact CG-CE2 4.22Å; L100-F224 HydrophobicContact CG-CZ 4.34Å; F109-F224 HydrophobicContact CD1-CB 4.32Å; F109-F224 HydrophobicContact CE1-CB 3.86Å; F109-F224 HydrophobicContact CZ-CB 4.42Å; F224-Y260 WeakPolarHBondContact CA-O 3.31Å; F224-F312 HydrophobicContact CE1-CD2 4.45Å; F224-F312 HydrophobicContact CE1-CE2 4.1Å; F224-A327 HydrophobicContact CD1-CB 4.39Å; F224-Y400 HydrophobicContact CE1-CE2 4.2Å; F224-Y400 HydrophobicContact CE2-CE2 4.26Å; F224-Y400 AromaticContact CZ-CE2 3.89Å; F224-Y400 HydrophobicContact CZ-CE2 3.89Å
225	L	89.7	Confident	82.6	Confident	2 Å²	2	41.2 Å²	41.2	1%	0.01	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	163.4	-179.2	68.2	92.3	0	0	0	110.2	V128 R227 H259 Y260 I262 F392 L439	V128-L225 HydrophobicContact CG1-CD1 4.19Å; V128-L225 HydrophobicContact CG1-CD2 4.37Å; L225-R227 HydrophobicContact CD1-CB 4.19Å; L225-H259 WeakPolarHBondContact O-CA 3.44Å; L225-Y260 HydrophobicContact CD1-CD2 3.81Å; L225-Y260 HydrophobicContact CD1-CG 4.36Å; L225-Y260 PolarHBondContact N-O 3.42Å; L225-Y260 PolarHBondContact O-N 2.94Å; L225-I262 HydrophobicContact CD2-CD1 3.76Å; L225-I262 HydrophobicContact CD2-CG1 4.44Å; L225-F392 HydrophobicContact CD2-CD1 4.24Å; L225-F392 HydrophobicContact CD2-CE1 3.34Å; L225-F392 HydrophobicContact CD2-CZ 3.91Å; L225-L439 HydrophobicContact CB-CD1 4.23Å
226	K	90.4	Very high	81.1	Confident	1 Å²	1	42.2 Å²	42.2	0%	0.004	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	139.5	166.9	62.9	173.5	178	-172.5	0	110.3	R80 E104 E255 C257 V258 H259 L406 Y407 L439 W440	R80-K226 VanDerWaalsContact NH2-NZ 3.16Å; E104-K226 IonicContact OE1-NZ 2.94Å; E104-K226 PolarHBondContact OE1-NZ 2.54Å; E104-K226 IonicContact OE2-NZ 3.92Å; E104-K226 PolarHBondContact OE2-NZ 3.25Å; E104-K226 VanDerWaalsContact OE2-NZ 3.14Å; K226-E255 IonicContact NZ-OE2 3.91Å; K226-E255 PolarHBondContact NZ-OE2 2.67Å; K226-C257 HydrophobicContact CB-CB 4.24Å; K226-C257 HydrophobicContact CD-CB 4.36Å; K226-V258 WeakPolarHBondContact CA-O 3.32Å; K226-H259 WeakPolarHBondContact CB-CD2 3.44Å; K226-L406 HydrophobicContact CG-CD1 4.15Å; K226-Y407 PolarHBondContact NZ-OH 3.22Å; K226-L439 VanDerWaalsContact O-CB 3.29Å; K226-L439 WeakPolarHBondContact O-CB 2.96Å; K226-W440 HydrophobicContact CD-CB 4.2Å; K226-W440 HydrophobicContact CG-CB 3.97Å; K226-W440 HydrophobicContact CG-CG 4.47Å
227	R	91.7	Very high	79.5	Confident	5 Å²	5	50.1 Å²	50.1	2%	0.019	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	127.3	-176	179.9	66.5	-176.5	106.2	4.9	109.5	F127 L225 V229 C257 V258 Y260 L439 E443	F127-R227 HydrophobicContact CE1-CG 4.05Å; F127-R227 VanDerWaalsContact CE2-NH2 3.32Å; F127-R227 HydrophobicContact CZ-CG 4.21Å; F127-R227 PolarHBondContact O-NE 2.96Å; L225-R227 HydrophobicContact CD1-CB 4.19Å; R227-V229 PolarHBondContact O-N 2.87Å; R227-C257 CarbonylContact O-C 3.43Å; R227-C257 VanDerWaalsContact O-CA 3.28Å; R227-C257 WeakPolarHBondContact O-CA 3.32Å; R227-V258 PolarHBondContact N-O 3.2Å; R227-V258 PolarHBondContact O-N 2.77Å; R227-Y260 HydrophobicContact CB-CD2 4.17Å; R227-Y260 HydrophobicContact CB-CE2 3.9Å; R227-L439 CarbonylContact C-O 3.54Å; R227-L439 WeakPolarHBondContact CA-O 3.13Å; R227-L439 WeakPolarHBondContact CD-O 3.44Å; R227-L439 PolarHBondContact NH1-O 3.08Å; R227-E443 IonicContact CZ-OE1 3.46Å; R227-E443 VanDerWaalsContact CZ-OE1 3.25Å; R227-E443 IonicContact NH1-OE1 2.84Å; R227-E443 PolarHBondContact NH1-OE1 3.41Å; R227-E443 IonicContact NH2-OE1 2.76Å; R227-E443 PolarHBondContact NH2-OE1 3Å
228	L	89.3	Confident	78.1	Confident	44 Å²	44	51.8 Å²	51.8	23%	0.23	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	128.9	171.3	-175.6	67.9	0	0	0	109.5	R256 L439 K441	L228-R256 HydrophobicContact CD1-CB 4.26Å; L228-L439 PolarHBondContact N-O 2.96Å; L228-K441 WeakPolarHBondContact CD2-O 3.48Å
229	V	85	Confident	76.9	Confident	13 Å²	13	47.2 Å²	47.2	8%	0.079	23%	0.234	C	C	.	.			trans	-119.8	139.8	178	-175.1	0	0	0	0	109.1	F127 R227 V233 F234 R256 V258	F127-V229 HydrophobicContact CE1-CG2 4.3Å; F127-V229 HydrophobicContact CZ-CG2 4.21Å; R227-V229 PolarHBondContact O-N 2.87Å; V229-V233 HydrophobicContact CG1-CB 4.34Å; V229-V233 HydrophobicContact CG1-CG2 4.39Å; V229-F234 HydrophobicContact CB-CE2 3.97Å; V229-F234 HydrophobicContact CB-CZ 4.44Å; V229-F234 HydrophobicContact CG1-CD2 4.45Å; V229-F234 HydrophobicContact CG1-CE2 3.5Å; V229-F234 VanDerWaalsContact CG1-CE2 3.5Å; V229-F234 HydrophobicContact CG1-CZ 3.9Å; V229-R256 PolarHBondContact N-O 3.2Å; V229-V258 HydrophobicContact CB-CG2 4.31Å; V229-V258 HydrophobicContact CG2-CB 4.03Å; V229-V258 HydrophobicContact CG2-CG2 3.6Å
230	D	77.1	Confident	75.7	Confident	96 Å²	96	51 Å²	51	51%	0.513	25%	0.253	S	S	.	.			trans	-69.7	133.1	175	-169.4	-3.8	0	0	0	109.9	K232 V233	D230-K232 PolarHBondContact O-N 3.32Å; D230-K232 VanDerWaalsContact O-N 3.17Å; D230-K232 PolarHBondContact OD1-N 3.4Å; D230-V233 WeakPolarHBondContact O-CB 3.3Å; D230-V233 PolarHBondContact O-N 2.84Å; D230-V233 VanDerWaalsContact O-N 3.13Å
231	H	69.6	Low	74.4	Confident	76 Å²	76	51.9 Å²	51.9	35%	0.352	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-29.9	-178.9	-166.3	-93.8	0	0	0	112.4	V233 F234 E235	H231-V233 PolarHBondContact O-N 2.83Å; H231-F234 PolarHBondContact O-N 2.9Å; H231-E235 WeakPolarHBondContact CE1-CG 3.38Å; H231-E235 IonicContact CE1-OE1 3.7Å; H231-E235 PolarHBondContact CE1-OE1 3.45Å; H231-E235 IonicContact CE1-OE2 2.66Å; H231-E235 PolarHBondContact CE1-OE2 3.34Å; H231-E235 WeakPolarHBondContact ND1-CG 3.46Å; H231-E235 IonicContact ND1-OE1 3.27Å; H231-E235 PolarHBondContact ND1-OE1 2.97Å; H231-E235 IonicContact ND1-OE2 2.68Å; H231-E235 PolarHBondContact ND1-OE2 2.86Å; H231-E235 PolarHBondContact O-N 3.27Å
232	K	69.8	Low	72.5	Confident	130 Å²	130	59.1 Å²	59.1	57%	0.565	30%	0.295	S	S	*	.	H	α-helix	trans	-58.4	-30.7	178.6	-67.5	-178.8	179.6	177	0	113.5	D230 F234 E235 N236	D230-K232 PolarHBondContact O-N 3.32Å; D230-K232 VanDerWaalsContact O-N 3.17Å; D230-K232 PolarHBondContact OD1-N 3.4Å; K232-F234 PolarHBondContact O-N 2.72Å; K232-E235 PolarHBondContact O-N 2.64Å; K232-N236 PolarHBondContact O-N 3.34Å
233	V	67.2	Low	70.8	Confident	21 Å²	21	64.5 Å²	64.5	13%	0.127	33%	0.328	C	S	.	.	H	α-helix	trans	-63.1	-26	176.7	-176.2	0	0	0	0	110.7	V229 D230 H231 V239 R298	V229-V233 HydrophobicContact CG1-CB 4.34Å; V229-V233 HydrophobicContact CG1-CG2 4.39Å; D230-V233 WeakPolarHBondContact O-CB 3.3Å; D230-V233 PolarHBondContact O-N 2.84Å; D230-V233 VanDerWaalsContact O-N 3.13Å; H231-V233 PolarHBondContact O-N 2.83Å; V233-V239 WeakPolarHBondContact O-CG2 3.4Å; V233-R298 HydrophobicContact CG1-CG 3.97Å; V233-R298 PolarHBondContact O-NE 2.67Å; V233-R298 PolarHBondContact O-NH2 2.99Å
234	F	65.1	Low	68.9	Low	39 Å²	39	72.8 Å²	72.8	17%	0.171	36%	0.36	C	S	.	.	H	α-helix	trans	-96	-16.5	179.7	-59.1	-70.7	0	0	0	114.3	V229 H231 K232 T250 V252 V258 R298	V229-F234 HydrophobicContact CB-CE2 3.97Å; V229-F234 HydrophobicContact CB-CZ 4.44Å; V229-F234 HydrophobicContact CG1-CD2 4.45Å; V229-F234 HydrophobicContact CG1-CE2 3.5Å; V229-F234 VanDerWaalsContact CG1-CE2 3.5Å; V229-F234 HydrophobicContact CG1-CZ 3.9Å; H231-F234 PolarHBondContact O-N 2.9Å; K232-F234 PolarHBondContact O-N 2.72Å; F234-T250 HydrophobicContact CE1-CG2 3.73Å; F234-T250 HydrophobicContact CZ-CG2 3.85Å; F234-V252 HydrophobicContact CD2-CG2 4.45Å; F234-V252 HydrophobicContact CE1-CG2 4.44Å; F234-V252 HydrophobicContact CE2-CG2 3.92Å; F234-V252 HydrophobicContact CZ-CG2 3.92Å; F234-V258 HydrophobicContact CZ-CG2 4.13Å; F234-R298 VanDerWaalsContact CA-NH2 3.29Å; F234-R298 HydrophobicContact CD1-CG 4.49Å; F234-R298 HydrophobicContact CE1-CG 4.34Å; F234-R298 PolarHBondContact O-NH2 3.43Å
235	E	61.4	Low	67.2	Low	126 Å²	126	80.6 Å²	80.6	59%	0.589	40%	0.397	S	S	*	.	H	α-helix	trans	-97.9	-27.9	-175.8	-75.9	-178.5	140.6	0	0	115.2	H231 K232	H231-E235 WeakPolarHBondContact CE1-CG 3.38Å; H231-E235 IonicContact CE1-OE1 3.7Å; H231-E235 PolarHBondContact CE1-OE1 3.45Å; H231-E235 IonicContact CE1-OE2 2.66Å; H231-E235 PolarHBondContact CE1-OE2 3.34Å; H231-E235 WeakPolarHBondContact ND1-CG 3.46Å; H231-E235 IonicContact ND1-OE1 3.27Å; H231-E235 PolarHBondContact ND1-OE1 2.97Å; H231-E235 IonicContact ND1-OE2 2.68Å; H231-E235 PolarHBondContact ND1-OE2 2.86Å; H231-E235 PolarHBondContact O-N 3.27Å; K232-E235 PolarHBondContact O-N 2.64Å
236	N	58	Low	65.4	Low	73 Å²	73	85.8 Å²	85.8	39%	0.39	43%	0.43	S	S	.	.			trans	-112.5	159	-160.8	-76.1	-0.7	0	0	0	116.1	K232 D238 V239	K232-N236 PolarHBondContact O-N 3.34Å; N236-D238 HydrophobicContact CB-CB 4.37Å; N236-D238 PolarHBondContact O-N 3.45Å; N236-V239 WeakPolarHBondContact O-CG2 3.45Å
237	E	54.6	Low	63.6	Low	194 Å²	194	89 Å²	89	91%	0.907	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-7.8	167.5	-63	179.4	167.1	0	0	113.6	V239	E237-V239 PolarHBondContact O-N 2.81Å
238	D	58	Low	61.9	Low	115 Å²	115	94.2 Å²	94.2	62%	0.615	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	6.4	-177.3	-61.1	-42	0	0	0	114	N236	N236-D238 HydrophobicContact CB-CB 4.37Å; N236-D238 PolarHBondContact O-N 3.45Å
239	V	59.2	Low	60.9	Low	16 Å²	16	98.8 Å²	98.8	10%	0.097	50%	0.499	C	S	.	.	S	Bend	trans	-74.7	133.3	174.2	-178.1	0	0	0	0	107.7	V233 N236 E237 E241 N296 R298	V233-V239 WeakPolarHBondContact O-CG2 3.4Å; N236-V239 WeakPolarHBondContact O-CG2 3.45Å; E237-V239 PolarHBondContact O-N 2.81Å; V239-E241 HydrophobicContact CG1-CB 3.77Å; V239-E241 HydrophobicContact CG1-CG 3.57Å; V239-E241 VanDerWaalsContact CG1-OE1 3.31Å; V239-E241 WeakPolarHBondContact CG1-OE1 3.35Å; V239-E241 PolarHBondContact O-N 2.87Å; V239-N296 VanDerWaalsContact CG1-O 3.32Å; V239-N296 WeakPolarHBondContact CG1-O 3.01Å; V239-R298 HydrophobicContact CG1-CG 4.22Å
240	N	60.4	Low	60.2	Low	85 Å²	85	99.1 Å²	99.1	46%	0.455	50%	0.5	S	S	.	.	S	Bend	trans	-73.2	29.4	-177.3	-70.9	-17.5	0	0	0	113.2	N296 Y297	N240-N296 PolarHBondContact N-O 2.94Å; N240-Y297 HydrophobicContact CB-CD1 4.13Å; N240-Y297 HydrophobicContact CB-CE1 3.46Å; N240-Y297 VanDerWaalsContact CB-CE1 3.46Å; N240-Y297 HydrophobicContact CB-CE2 4.43Å
241	E	59	Low	60.1	Low	39 Å²	39	97.4 Å²	97.4	18%	0.182	49%	0.491	C	S	.	.			trans	-107.2	57.7	-174.2	-71.4	166.7	-150.7	0	0	110.4	V239 V243 Y297 R298 A301	V239-E241 HydrophobicContact CG1-CB 3.77Å; V239-E241 HydrophobicContact CG1-CG 3.57Å; V239-E241 VanDerWaalsContact CG1-OE1 3.31Å; V239-E241 WeakPolarHBondContact CG1-OE1 3.35Å; V239-E241 PolarHBondContact O-N 2.87Å; E241-V243 PolarHBondContact O-N 2.84Å; E241-Y297 HydrophobicContact CG-CD1 4.45Å; E241-R298 VanDerWaalsContact OE1-CB 3.25Å; E241-R298 WeakPolarHBondContact OE1-CB 3.45Å; E241-R298 WeakPolarHBondContact OE1-CG 3.34Å; E241-R298 PolarHBondContact OE1-N 3.11Å; E241-A301 HydrophobicContact CG-CB 3.83Å; E241-A301 WeakPolarHBondContact OE1-CB 3.42Å
242	D	51.4	Low	60.6	Low	153 Å²	153	96.4 Å²	96.4	82%	0.818	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-0.7	-173.2	-74.2	-26.7	0	0	0	115.5
243	V	52.6	Low	61	Low	121 Å²	121	91.7 Å²	91.7	73%	0.733	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.1	-16	-165.8	-172.3	0	0	0	0	114	E241	E241-V243 PolarHBondContact O-N 2.84Å
244	Y	49.8	Very low	61.5	Low	174 Å²	174	97.3 Å²	97.3	68%	0.682	51%	0.505	S	S	*	.	S	Bend	trans	-113.9	142.7	-173.8	-63.5	-80.4	0	0	0	111.3
245	E	52	Low	62	Low	170 Å²	170	96.1 Å²	96.1	79%	0.794	50%	0.5	S	S	*	.			trans	-55.3	140.7	167.3	-69.5	-178	168.1	0	0	108.4	V247	E245-V247 VanDerWaalsContact C-N 3.29Å; E245-V247 PolarHBondContact O-N 3.38Å
246	P	51.1	Low	63.1	Low	110 Å²	110	97.4 Å²	97.4	71%	0.714	50%	0.499	S	S	*	.			trans	-65.1	92.4	179.5	25.8	-33.3	0	0	0	109.4	N248	P246-N248 PolarHBondContact O-N 3.44Å
247	V	53	Low	64.4	Low	69 Å²	69	94 Å²	94	42%	0.418	48%	0.481	S	S	.	.			trans	-90.4	94.7	171.5	179.1	0	0	0	0	106.2	E245 E249	E245-V247 VanDerWaalsContact C-N 3.29Å; E245-V247 PolarHBondContact O-N 3.38Å; V247-E249 HydrophobicContact CG1-CB 4.09Å; V247-E249 HydrophobicContact CG1-CG 3.45Å; V247-E249 VanDerWaalsContact CG1-CG 3.45Å; V247-E249 VanDerWaalsContact CG1-OE1 3.24Å; V247-E249 WeakPolarHBondContact CG1-OE1 3.48Å; V247-E249 PolarHBondContact O-N 3.05Å
248	N	57.4	Low	66	Low	114 Å²	114	84.7 Å²	84.7	61%	0.61	44%	0.438	S	S	*	.			trans	-78	73.5	175.2	-74.3	-6	0	0	0	109.7	P246 R298	P246-N248 PolarHBondContact O-N 3.44Å; N248-R298 PolarHBondContact OD1-NH1 2.74Å
249	E	67	Low	67.5	Low	141 Å²	141	79.5 Å²	79.5	66%	0.659	41%	0.41	S	S	*	.			trans	-96.1	-13.8	177.4	-85.1	177.2	-162.5	0	0	113	V247 I251 E300	V247-E249 HydrophobicContact CG1-CB 4.09Å; V247-E249 HydrophobicContact CG1-CG 3.45Å; V247-E249 VanDerWaalsContact CG1-CG 3.45Å; V247-E249 VanDerWaalsContact CG1-OE1 3.24Å; V247-E249 WeakPolarHBondContact CG1-OE1 3.48Å; V247-E249 PolarHBondContact O-N 3.05Å; E249-I251 PolarHBondContact O-N 3.13Å; E249-I251 VanDerWaalsContact O-N 3.1Å; E249-E300 HydrophobicContact CB-CG 4.28Å; E249-E300 PolarHBondContact N-OE1 2.85Å; E249-E300 VanDerWaalsContact N-OE1 3.15Å
250	T	71.8	Confident	69	Low	19 Å²	19	78.9 Å²	78.9	12%	0.117	41%	0.406	C	S	.	.			trans	-61.9	115.7	179.9	-69.5	0	0	0	0	109.9	F234 V252 V258 P299 E300	F234-T250 HydrophobicContact CE1-CG2 3.73Å; F234-T250 HydrophobicContact CZ-CG2 3.85Å; T250-V252 HydrophobicContact CG2-CG2 4.01Å; T250-V252 PolarHBondContact O-N 2.68Å; T250-V258 HydrophobicContact CG2-CG1 4.16Å; T250-V258 HydrophobicContact CG2-CG2 3.74Å; T250-P299 HydrophobicContact CG2-CG 4.15Å; T250-P299 WeakPolarHBondContact OG1-CD 3.34Å; T250-E300 WeakPolarHBondContact CA-OE1 3.34Å; T250-E300 WeakPolarHBondContact CB-OE1 3.43Å; T250-E300 PolarHBondContact N-OE1 2.97Å; T250-E300 PolarHBondContact OG1-OE1 3.34Å; T250-E300 PolarHBondContact OG1-OE2 2.94Å
251	I	74.8	Confident	70.3	Confident	61 Å²	61	75 Å²	75	31%	0.313	39%	0.385	S	S	.	.			trans	-80.5	112.9	171.5	-55.8	-168.3	0	0	0	108.5	W108 E249 L306	W108-I251 HydrophobicContact CB-CD1 4.04Å; W108-I251 HydrophobicContact CD2-CD1 4.16Å; W108-I251 HydrophobicContact CG-CD1 3.72Å; E249-I251 PolarHBondContact O-N 3.13Å; E249-I251 VanDerWaalsContact O-N 3.1Å; I251-L306 HydrophobicContact CB-CD1 4.44Å; I251-L306 HydrophobicContact CD1-CD1 4.33Å; I251-L306 HydrophobicContact CD1-CD2 3.44Å; I251-L306 VanDerWaalsContact CD1-CD2 3.44Å; I251-L306 HydrophobicContact CD1-CG 4.48Å; I251-L306 HydrophobicContact CG1-CD1 4.06Å; I251-L306 HydrophobicContact CG1-CD2 4.03Å
252	V	78.4	Confident	71.9	Confident	55 Å²	55	73.1 Å²	73.1	33%	0.333	38%	0.376	S	S	.	.	B	Isolated β-bridge	trans	-98.8	131.6	172.1	-175.3	0	0	0	0	108.4	F234 T250 R256 V258	F234-V252 HydrophobicContact CD2-CG2 4.45Å; F234-V252 HydrophobicContact CE1-CG2 4.44Å; F234-V252 HydrophobicContact CE2-CG2 3.92Å; F234-V252 HydrophobicContact CZ-CG2 3.92Å; T250-V252 HydrophobicContact CG2-CG2 4.01Å; T250-V252 PolarHBondContact O-N 2.68Å; V252-R256 HydrophobicContact CG1-CB 4.4Å; V252-V258 HydrophobicContact CG2-CG2 4.2Å
253	D	78.5	Confident	73.7	Confident	30 Å²	30	67.6 Å²	67.6	16%	0.16	34%	0.344	C	S	.	.			trans	-72.3	168.4	176.2	-168	18.5	0	0	0	111.7	M107 E255 R256 C257 H259	M107-D253 HydrophobicContact CE-CB 3.67Å; M107-D253 VanDerWaalsContact CE-CG 3.42Å; M107-D253 WeakPolarHBondContact CE-OD1 3.33Å; D253-E255 PolarHBondContact O-N 2.95Å; D253-R256 PolarHBondContact O-N 3Å; D253-C257 PolarHBondContact N-O 3.11Å; D253-H259 IonicContact OD2-NE2 2.97Å
254	V	77.4	Confident	75.6	Confident	139 Å²	139	62.3 Å²	62.3	84%	0.842	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.9	-27.2	176.5	-175.1	0	0	0	0	112.1
255	E	77	Confident	77.5	Confident	15 Å²	15	55 Å²	55	7%	0.07	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	10.3	179.8	-56	-168.8	143.8	0	0	114.9	I76 R80 K226 D253 C257	I76-E255 HydrophobicContact CD1-CB 3.97Å; I76-E255 HydrophobicContact CD1-CG 3.98Å; I76-E255 HydrophobicContact CG1-CG 4.23Å; I76-E255 WeakPolarHBondContact CG2-OE1 3.43Å; R80-E255 IonicContact CZ-OE1 3.11Å; R80-E255 IonicContact CZ-OE2 2.68Å; R80-E255 VanDerWaalsContact NE-CD 3.26Å; R80-E255 IonicContact NE-OE1 3.5Å; R80-E255 PolarHBondContact NE-OE1 3.15Å; R80-E255 IonicContact NE-OE2 2.74Å; R80-E255 PolarHBondContact NE-OE2 2.99Å; R80-E255 VanDerWaalsContact NE-OE2 3.11Å; R80-E255 IonicContact NH2-OE1 3.14Å; R80-E255 PolarHBondContact NH2-OE1 2.86Å; R80-E255 IonicContact NH2-OE2 3.25Å; R80-E255 PolarHBondContact NH2-OE2 3.21Å; K226-E255 IonicContact NZ-OE2 3.91Å; K226-E255 PolarHBondContact NZ-OE2 2.67Å; D253-E255 PolarHBondContact O-N 2.95Å; E255-C257 PolarHBondContact O-N 3.39Å
256	R	83.1	Confident	79.5	Confident	152 Å²	152	47 Å²	47	57%	0.574	25%	0.246	S	C	*	.	S	Bend	trans	61.3	27.2	-173.7	-53.5	-179.2	179.8	-179	-2.8	113.7	L228 V229 V252 D253	L228-R256 HydrophobicContact CD1-CB 4.26Å; V229-R256 PolarHBondContact N-O 3.2Å; V252-R256 HydrophobicContact CG1-CB 4.4Å; D253-R256 PolarHBondContact O-N 3Å
257	C	86.9	Confident	81.5	Confident	1 Å²	1	41.9 Å²	41.9	1%	0.007	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	143.2	178.4	-69.3	0	0	0	0	110.8	K226 R227 D253 E255	K226-C257 HydrophobicContact CB-CB 4.24Å; K226-C257 HydrophobicContact CD-CB 4.36Å; R227-C257 CarbonylContact O-C 3.43Å; R227-C257 VanDerWaalsContact O-CA 3.28Å; R227-C257 WeakPolarHBondContact O-CA 3.32Å; D253-C257 PolarHBondContact N-O 3.11Å; E255-C257 PolarHBondContact O-N 3.39Å
258	V	87.8	Confident	83.4	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	132.2	169.2	-179.3	0	0	0	0	108.7	H110 K226 R227 V229 F234 T250 V252 Y260 P299	H110-V258 WeakPolarHBondContact ND1-CG1 3.5Å; K226-V258 WeakPolarHBondContact CA-O 3.32Å; R227-V258 PolarHBondContact N-O 3.2Å; R227-V258 PolarHBondContact O-N 2.77Å; V229-V258 HydrophobicContact CB-CG2 4.31Å; V229-V258 HydrophobicContact CG2-CB 4.03Å; V229-V258 HydrophobicContact CG2-CG2 3.6Å; F234-V258 HydrophobicContact CZ-CG2 4.13Å; T250-V258 HydrophobicContact CG2-CG1 4.16Å; T250-V258 HydrophobicContact CG2-CG2 3.74Å; V252-V258 HydrophobicContact CG2-CG2 4.2Å; V258-Y260 HydrophobicContact CB-CE2 3.82Å; V258-Y260 HydrophobicContact CG1-CD2 4.36Å; V258-Y260 HydrophobicContact CG1-CE1 4.03Å; V258-Y260 HydrophobicContact CG1-CE2 3.65Å; V258-Y260 VanDerWaalsContact CG1-CZ 3.48Å; V258-Y260 WeakPolarHBondContact O-CD2 3.25Å; V258-P299 HydrophobicContact CG1-CG 4.13Å
259	H	88.5	Confident	85.2	Confident	6 Å²	6	33.1 Å²	33.1	3%	0.028	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	132.5	-177.9	-69.2	-172.5	0	0	0	110.3	M107 W108 F109 H110 L225 K226 D253	M107-H259 VanDerWaalsContact CB-ND1 3.31Å; M107-H259 WeakPolarHBondContact CB-ND1 3.44Å; W108-H259 VanDerWaalsContact O-CB 3.3Å; W108-H259 WeakPolarHBondContact O-CB 3.36Å; F109-H259 HydrophobicContact CD1-CB 3.7Å; F109-H259 HydrophobicContact CE1-CB 3.99Å; F109-H259 HydrophobicContact CG-CB 4.36Å; H110-H259 PolarHBondContact N-O 2.84Å; H110-H259 PolarHBondContact ND1-O 2.9Å; L225-H259 WeakPolarHBondContact O-CA 3.44Å; K226-H259 WeakPolarHBondContact CB-CD2 3.44Å; D253-H259 IonicContact OD2-NE2 2.97Å
260	Y	90.5	Very high	86.4	Confident	3 Å²	3	26.6 Å²	26.6	1%	0.012	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	144.3	-179.8	-61.6	-82.5	0	0	0	110.7	H110 I112 F124 V128 F224 L225 R227 V258 P299 L304	H110-Y260 HydrophobicContact CB-CD1 3.77Å; H110-Y260 HydrophobicContact CB-CE1 4.02Å; H110-Y260 WeakPolarHBondContact O-CA 3.36Å; I112-Y260 HydrophobicContact CD1-CD1 3.68Å; I112-Y260 HydrophobicContact CD1-CE1 4.4Å; I112-Y260 HydrophobicContact CD1-CG 4.18Å; I112-Y260 HydrophobicContact CG1-CD1 4.17Å; F124-Y260 AromaticContact CZ-CE1 3.78Å; F124-Y260 HydrophobicContact CZ-CE1 3.78Å; V128-Y260 HydrophobicContact CG1-CD2 4.05Å; V128-Y260 HydrophobicContact CG1-CE2 4.4Å; V128-Y260 HydrophobicContact CG1-CG 4.18Å; V128-Y260 HydrophobicContact CG2-CE1 4.4Å; V128-Y260 HydrophobicContact CG2-CE2 4.21Å; F224-Y260 WeakPolarHBondContact CA-O 3.31Å; L225-Y260 HydrophobicContact CD1-CD2 3.81Å; L225-Y260 HydrophobicContact CD1-CG 4.36Å; L225-Y260 PolarHBondContact N-O 3.42Å; L225-Y260 PolarHBondContact O-N 2.94Å; R227-Y260 HydrophobicContact CB-CD2 4.17Å; R227-Y260 HydrophobicContact CB-CE2 3.9Å; V258-Y260 HydrophobicContact CB-CE2 3.82Å; V258-Y260 HydrophobicContact CG1-CD2 4.36Å; V258-Y260 HydrophobicContact CG1-CE1 4.03Å; V258-Y260 HydrophobicContact CG1-CE2 3.65Å; V258-Y260 VanDerWaalsContact CG1-CZ 3.48Å; V258-Y260 WeakPolarHBondContact O-CD2 3.25Å; Y260-P299 HydrophobicContact CE1-CG 4.14Å; Y260-P299 WeakPolarHBondContact OH-CG 3.36Å; Y260-L304 HydrophobicContact CE1-CD1 4.26Å
261	R	88.8	Confident	87.4	Confident	3 Å²	3	25.8 Å²	25.8	1%	0.011	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	116.1	168.7	-177	-176.5	67.9	-169.5	-3.2	108.6	F109 H110 S111 I112 M223 R263 S324	F109-R261 HydrophobicContact CB-CB 3.95Å; F109-R261 HydrophobicContact CD1-CB 4.5Å; F109-R261 HydrophobicContact CG-CB 4.37Å; H110-R261 PolarHBondContact O-N 3.23Å; S111-R261 PolarHBondContact OG-NH2 3.28Å; I112-R261 PolarHBondContact N-O 3Å; M223-R261 CarbonylContact O-C 3.57Å; M223-R261 WeakPolarHBondContact O-CA 3.22Å; R261-R263 HydrophobicContact CG-CG 4.22Å; R261-S324 PolarHBondContact NH1-O 3.49Å
262	I	91.7	Very high	88	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	126.3	176.5	-57.9	169.8	0	0	0	108.5	I112 I114 E222 M223 L225 L389 F392 A393	I112-I262 HydrophobicContact CB-CG1 4.2Å; I112-I262 HydrophobicContact CD1-CG1 4.27Å; I112-I262 WeakPolarHBondContact O-CA 3.32Å; I114-I262 HydrophobicContact CD1-CG2 4.43Å; E222-I262 WeakPolarHBondContact CA-O 3.42Å; M223-I262 PolarHBondContact N-O 2.94Å; M223-I262 PolarHBondContact O-N 3.49Å; L225-I262 HydrophobicContact CD2-CD1 3.76Å; L225-I262 HydrophobicContact CD2-CG1 4.44Å; I262-L389 HydrophobicContact CD1-CD2 3.79Å; I262-L389 HydrophobicContact CG1-CD2 4.37Å; I262-L389 HydrophobicContact CG2-CB 4.32Å; I262-F392 HydrophobicContact CD1-CD1 3.85Å; I262-F392 HydrophobicContact CD1-CE1 4.21Å; I262-A393 HydrophobicContact CB-CB 4.06Å; I262-A393 HydrophobicContact CG2-CB 3.75Å
263	R	90.2	Very high	88.5	Confident	37 Å²	37	20.5 Å²	20.5	14%	0.14	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	130.5	173.2	-59.8	-167	-67.3	164.2	0.6	110.3	I112 D113 I114 I221 E222 R261 I321	I112-R263 PolarHBondContact O-N 3.44Å; D113-R263 IonicContact OD1-CZ 3.87Å; D113-R263 IonicContact OD1-NE 2.68Å; D113-R263 PolarHBondContact OD1-NE 3.29Å; D113-R263 IonicContact OD1-NH2 3.18Å; D113-R263 PolarHBondContact OD1-NH2 3.48Å; D113-R263 VanDerWaalsContact OD1-NH2 3.13Å; D113-R263 IonicContact OD2-CZ 3.2Å; D113-R263 IonicContact OD2-NE 3.25Å; D113-R263 IonicContact OD2-NH2 2.95Å; D113-R263 PolarHBondContact OD2-NH2 3.45Å; I114-R263 WeakPolarHBondContact CB-O 3.22Å; I114-R263 PolarHBondContact N-O 3.07Å; I221-R263 WeakPolarHBondContact O-CA 3.19Å; E222-R263 HydrophobicContact CG-CB 4.49Å; E222-R263 HydrophobicContact CG-CG 4.03Å; R261-R263 HydrophobicContact CG-CG 4.22Å; R263-I321 PolarHBondContact NH1-O 2.88Å
264	S	91.5	Very high	89.1	Confident	9 Å²	9	20.4 Å²	20.4	6%	0.063	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	166.9	177	-166.2	0	0	0	0	110.6	I221 T390	I221-S264 PolarHBondContact N-O 2.79Å; I221-S264 PolarHBondContact O-N 3.32Å; I221-S264 VanDerWaalsContact O-O 3.1Å; S264-T390 WeakPolarHBondContact OG-CG2 3.19Å; S264-T390 PolarHBondContact OG-OG1 3.34Å
265	E	90.8	Very high	89.9	Confident	22 Å²	22	14.1 Å²	14.1	10%	0.103	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	125.8	172.6	172.9	-172	146.7	0	0	107.8	R218 G219 I321 R357	R218-E265 HydrophobicContact CB-CG 4.37Å; R218-E265 WeakPolarHBondContact CB-OE1 3.44Å; R218-E265 WeakPolarHBondContact CG-OE1 3.23Å; R218-E265 IonicContact CZ-OE1 2.68Å; R218-E265 IonicContact CZ-OE2 3.85Å; R218-E265 IonicContact NE-OE1 3.91Å; R218-E265 PolarHBondContact NE-OE1 2.9Å; R218-E265 IonicContact NE-OE2 2.71Å; R218-E265 IonicContact NH2-OE1 3.66Å; R218-E265 PolarHBondContact NH2-OE1 3.35Å; R218-E265 IonicContact NH2-OE2 3.13Å; R218-E265 PolarHBondContact NH2-OE2 3.03Å; G219-E265 CarbonylContact O-C 3.4Å; G219-E265 WeakPolarHBondContact O-CA 3.44Å; E265-I321 WeakPolarHBondContact OE2-CD1 3.49Å; E265-R357 VanDerWaalsContact O-CZ 3.22Å; E265-R357 PolarHBondContact O-NH1 2.94Å; E265-R357 PolarHBondContact O-NH2 3.18Å
266	L	93.1	Very high	90.7	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	131.8	169.2	-63	177.7	0	0	0	109.3	R218 G219 I221 W268 Q269 T390 W394 L418	R218-L266 CarbonylContact C-O 3.6Å; R218-L266 WeakPolarHBondContact CA-O 3.16Å; R218-L266 PolarHBondContact N-O 3.37Å; G219-L266 PolarHBondContact N-O 2.95Å; G219-L266 VanDerWaalsContact N-O 3.12Å; G219-L266 PolarHBondContact O-N 3.26Å; I221-L266 HydrophobicContact CD1-CD1 3.74Å; I221-L266 HydrophobicContact CD1-CD2 3.89Å; I221-L266 HydrophobicContact CD1-CG 3.47Å; I221-L266 VanDerWaalsContact CD1-CG 3.47Å; I221-L266 HydrophobicContact CG1-CG 4.4Å; L266-W268 PolarHBondContact O-N 2.92Å; L266-Q269 HydrophobicContact CD1-CB 3.8Å; L266-T390 HydrophobicContact CD2-CG2 3.81Å; L266-W394 HydrophobicContact CD1-CD2 4.01Å; L266-W394 HydrophobicContact CD1-CE3 4.19Å; L266-W394 HydrophobicContact CD1-CH2 3.93Å; L266-W394 HydrophobicContact CD1-CZ2 3.69Å; L266-W394 HydrophobicContact CD1-CZ3 4.17Å; L266-L418 HydrophobicContact CD2-CD2 3.73Å
267	A	92.7	Very high	91.1	Very high	3 Å²	3	12 Å²	12	3%	0.025	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	-37.4	174.2	0	0	0	0	0	110.9	R185 I188 R218 V352 D354	R185-A267 HydrophobicContact CG-CB 4.24Å; I188-A267 HydrophobicContact CD1-CB 4.03Å; I188-A267 HydrophobicContact CG2-CB 4.09Å; R218-A267 PolarHBondContact N-O 2.91Å; A267-V352 PolarHBondContact N-O 2.79Å; A267-D354 HydrophobicContact CB-CB 4.31Å
268	W	94.5	Very high	91.4	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	145.6	179.7	-175.8	96.9	0	0	0	109.2	I188 M192 I215 D216 L266 L270 L350 G351 V352	I188-W268 HydrophobicContact CG2-CB 4.38Å; M192-W268 HydrophobicContact CB-CD2 3.66Å; M192-W268 HydrophobicContact CB-CE3 4.15Å; M192-W268 HydrophobicContact CB-CG 3.94Å; M192-W268 HydrophobicContact CB-CH2 4.4Å; M192-W268 HydrophobicContact CB-CZ2 4Å; M192-W268 HydrophobicContact CB-CZ3 4.48Å; M192-W268 HydrophobicContact CE-CE3 4.12Å; M192-W268 HydrophobicContact CE-CH2 4.16Å; M192-W268 HydrophobicContact CE-CZ3 3.8Å; M192-W268 HydrophobicContact CG-CD2 4.07Å; M192-W268 HydrophobicContact CG-CE3 4.23Å; M192-W268 HydrophobicContact CG-CG 4.25Å; I215-W268 HydrophobicContact CB-CZ2 4.49Å; I215-W268 HydrophobicContact CD1-CZ2 4.02Å; I215-W268 HydrophobicContact CG1-CZ2 3.91Å; I215-W268 HydrophobicContact CG2-CD2 4.5Å; I215-W268 HydrophobicContact CG2-CZ2 3.84Å; D216-W268 CarbonylContact O-C 3.57Å; D216-W268 WeakPolarHBondContact O-CA 3.27Å; L266-W268 PolarHBondContact O-N 2.92Å; W268-L270 HydrophobicContact CH2-CB 3.59Å; W268-L270 HydrophobicContact CH2-CD1 4.44Å; W268-L270 HydrophobicContact CH2-CG 4.42Å; W268-L270 HydrophobicContact CZ3-CB 3.66Å; W268-L350 HydrophobicContact CZ3-CD2 4.4Å; W268-L350 HydrophobicContact CZ3-CG 4.4Å; W268-G351 CarbonylContact O-C 3.28Å; W268-G351 WeakPolarHBondContact O-CA 3.37Å; W268-V352 HydrophobicContact CB-CB 4.21Å; W268-V352 HydrophobicContact CB-CG2 4.3Å; W268-V352 HydrophobicContact CE3-CG2 4.01Å; W268-V352 PolarHBondContact O-N 3.48Å
269	Q	94.3	Very high	91.5	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	146.1	173.2	67.3	-179.7	1.9	0	0	112	I215 D216 L266 R271 G332 L350 W394	I215-Q269 WeakPolarHBondContact CA-O 3.41Å; D216-Q269 HydrophobicContact CB-CG 3.86Å; D216-Q269 PolarHBondContact N-O 3.48Å; D216-Q269 PolarHBondContact O-N 2.87Å; D216-Q269 PolarHBondContact OD2-NE2 3.38Å; L266-Q269 HydrophobicContact CD1-CB 3.8Å; Q269-R271 HydrophobicContact CG-CG 4.38Å; Q269-G332 PolarHBondContact NE2-O 3.34Å; Q269-L350 CarbonylContact C-O 3.53Å; Q269-L350 WeakPolarHBondContact CA-O 3.38Å; Q269-W394 HydrophobicContact CB-CZ2 4.23Å
270	L	92.1	Very high	91.7	Very high	3 Å²	3	19 Å²	19	2%	0.016	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	126.4	167.2	-175.8	64.8	0	0	0	108.9	Y196 V208 T213 I215 W268 L349 L350 M487	Y196-L270 HydrophobicContact CD2-CD1 4.13Å; Y196-L270 HydrophobicContact CE2-CD1 3.79Å; V208-L270 HydrophobicContact CG2-CD2 4.29Å; T213-L270 HydrophobicContact CG2-CD1 4.35Å; I215-L270 HydrophobicContact CG1-CD1 3.93Å; W268-L270 HydrophobicContact CH2-CB 3.59Å; W268-L270 HydrophobicContact CH2-CD1 4.44Å; W268-L270 HydrophobicContact CH2-CG 4.42Å; W268-L270 HydrophobicContact CZ3-CB 3.66Å; L270-L349 HydrophobicContact CD2-CD1 4.49Å; L270-L349 HydrophobicContact CG-CB 4.49Å; L270-L349 HydrophobicContact CG-CD1 4.39Å; L270-L349 PolarHBondContact O-N 2.86Å; L270-L350 HydrophobicContact CB-CB 4.21Å; L270-L350 PolarHBondContact N-O 2.89Å; L270-L350 PolarHBondContact O-N 3.2Å; L270-M487 HydrophobicContact CD2-CE 4.48Å; L270-M487 HydrophobicContact CD2-SD 4.47Å
271	R	91.9	Very high	91.8	Very high	3 Å²	3	24.5 Å²	24.5	1%	0.011	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	155.5	176.9	-61.9	-171.8	-68	118.1	-6.8	111.2	T213 Q214 D216 Q269 D343 C345 F347	T213-R271 CarbonylContact C-O 3.6Å; T213-R271 VanDerWaalsContact CA-O 3.24Å; T213-R271 WeakPolarHBondContact CA-O 3.31Å; T213-R271 WeakPolarHBondContact CB-O 3.43Å; Q214-R271 PolarHBondContact N-O 3.02Å; Q214-R271 PolarHBondContact O-N 3.31Å; D216-R271 IonicContact OD1-NH2 2.75Å; D216-R271 PolarHBondContact OD1-NH2 3.28Å; D216-R271 IonicContact OD2-CZ 2.84Å; D216-R271 IonicContact OD2-NE 3.99Å; D216-R271 PolarHBondContact OD2-NE 3.19Å; D216-R271 IonicContact OD2-NH2 3.33Å; D216-R271 PolarHBondContact OD2-NH2 3.24Å; Q269-R271 HydrophobicContact CG-CG 4.38Å; R271-D343 IonicContact CZ-OD2 2.84Å; R271-D343 VanDerWaalsContact CZ-OD2 3.28Å; R271-D343 IonicContact NH1-OD1 2.56Å; R271-D343 PolarHBondContact NH1-OD1 3.13Å; R271-D343 IonicContact NH1-OD2 3.39Å; R271-D343 PolarHBondContact NH1-OD2 3.3Å; R271-D343 IonicContact NH2-OD2 3.05Å; R271-D343 PolarHBondContact NH2-OD2 3.17Å; R271-C345 HydrophobicContact CB-CB 3.94Å; R271-C345 PolarHBondContact NH1-O 3.2Å; R271-F347 CarbonylContact C-O 3.55Å; R271-F347 WeakPolarHBondContact CA-O 3.42Å; R271-F347 WeakPolarHBondContact CB-O 3.5Å
272	G	88.8	Confident	91.9	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	175.9	175.8	0	0	0	0	0	112.8	C345 E346 F347	G272-C345 CarbonylContact O-C 3.51Å; G272-C345 VanDerWaalsContact O-C 3.28Å; G272-C345 WeakPolarHBondContact O-CA 3.41Å; G272-E346 PolarHBondContact O-N 3.1Å; G272-F347 PolarHBondContact N-O 3.16Å; G272-F347 PolarHBondContact O-N 2.78Å
273	P	88.6	Confident	91.8	Very high	4 Å²	4	32.6 Å²	32.6	3%	0.026	16%	0.163	C	C	.	.	S	Bend	trans	-79.3	-16.2	-176.2	28.7	-34	0	0	0	114	S212 F347 R511 L514	S212-P273 WeakPolarHBondContact O-CD 3.26Å; P273-F347 VanDerWaalsContact O-CD2 3.27Å; P273-F347 WeakPolarHBondContact O-CD2 3.48Å; P273-F347 WeakPolarHBondContact O-CE2 3.49Å; P273-R511 HydrophobicContact CB-CB 3.97Å; P273-R511 WeakPolarHBondContact O-CD 3.37Å; P273-L514 HydrophobicContact CB-CD1 4.43Å
274	F	91.3	Very high	92	Very high	28 Å²	28	32.8 Å²	32.8	12%	0.123	17%	0.166	C	C	.	.	S	Bend	trans	-118.4	142.9	-176.3	-60.6	-69.7	0	0	0	111.2	L211 F347 L349 V491 K493 I515	L211-F274 HydrophobicContact CD1-CD2 4.2Å; L211-F274 HydrophobicContact CD2-CD2 3.57Å; L211-F274 HydrophobicContact CD2-CE2 3.57Å; F274-F347 WeakPolarHBondContact O-CB 3.24Å; F274-L349 WeakPolarHBondContact O-CD2 3.38Å; F274-V491 HydrophobicContact CB-CB 4.14Å; F274-V491 HydrophobicContact CB-CG2 4.25Å; F274-K493 HydrophobicContact CD2-CG 4.19Å; F274-K493 HydrophobicContact CE2-CG 4.49Å; F274-K493 HydrophobicContact CG-CG 4.38Å; F274-I515 HydrophobicContact CE1-CD1 3.77Å; F274-I515 HydrophobicContact CZ-CD1 3.53Å; F274-I515 HydrophobicContact CZ-CG1 4Å
275	P	93.4	Very high	92	Very high	8 Å²	8	37.3 Å²	37.3	5%	0.052	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-67.2	157.3	175.2	28	-33.1	0	0	0	111.6	F347 V491 D492 L500	P275-F347 HydrophobicContact CB-CD1 3.6Å; P275-F347 HydrophobicContact CB-CE1 3.84Å; P275-F347 HydrophobicContact CB-CG 4.05Å; P275-F347 HydrophobicContact CG-CD1 4.39Å; P275-F347 HydrophobicContact CG-CE1 4.23Å; P275-F347 HydrophobicContact CG-CZ 4.47Å; P275-V491 CarbonylContact O-C 3.56Å; P275-V491 WeakPolarHBondContact O-CA 3.34Å; P275-V491 WeakPolarHBondContact O-CB 3.4Å; P275-D492 HydrophobicContact CG-CB 4.45Å; P275-D492 PolarHBondContact O-N 3.07Å; P275-L500 HydrophobicContact CG-CD1 4.31Å; P275-L500 HydrophobicContact CG-CD2 3.99Å
276	L	94	Very high	92	Very high	4 Å²	4	39.1 Å²	39.1	2%	0.021	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-66.2	144.9	168.6	-67.1	178.1	0	0	0	110.6	L207 L349 C415 Q417 V491	L207-L276 HydrophobicContact CD1-CD2 4.26Å; L276-L349 WeakPolarHBondContact CD1-O 3.38Å; L276-L349 HydrophobicContact CD2-CB 4.24Å; L276-L349 HydrophobicContact CD2-CD2 3.79Å; L276-L349 HydrophobicContact CG-CD2 4.05Å; L276-C415 HydrophobicContact CB-CB 3.82Å; L276-Q417 HydrophobicContact CD1-CG 3.77Å; L276-V491 HydrophobicContact CD2-CG1 4Å
277	K	92.8	Very high	91.9	Very high	117 Å²	117	39.1 Å²	39.1	51%	0.509	21%	0.205	S	C	.	.	P	Polyproline II helix	trans	-66.4	133.9	174.4	-172	-179.9	179.6	179.6	0	109.6	H489 P490	K277-H489 PolarHBondContact O-NE2 2.76Å; K277-H489 VanDerWaalsContact O-NE2 3.14Å; K277-P490 HydrophobicContact CB-CB 4.38Å; K277-P490 HydrophobicContact CB-CG 4.14Å; K277-P490 WeakPolarHBondContact CB-O 3.45Å; K277-P490 HydrophobicContact CD-CG 4.22Å; K277-P490 PolarHBondContact N-O 3.26Å
278	P	93.1	Very high	91.8	Very high	34 Å²	34	42.3 Å²	42.3	22%	0.221	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-68.1	152.6	177.5	26.9	-33.4	0	0	0	113.5	P413 C415	P278-P413 HydrophobicContact CB-CB 4.22Å; P278-P413 HydrophobicContact CB-CG 3.33Å; P278-P413 HydrophobicContact CG-CG 3.69Å; P278-C415 VanDerWaalsContact CA-SG 3.56Å
279	H	89.6	Confident	91.3	Very high	60 Å²	60	45 Å²	45	28%	0.278	23%	0.233	S	C	.	.	S	Bend	trans	-75.6	-42.9	174.7	-70.1	-70.5	0	0	0	111.1	R430 W453 H489	H279-R430 VanDerWaalsContact NE2-CD 3.29Å; H279-R430 WeakPolarHBondContact NE2-CD 3.25Å; H279-W453 HydrophobicContact CB-CH2 3.79Å; H279-W453 HydrophobicContact CB-CZ2 4.2Å; H279-W453 HydrophobicContact CB-CZ3 4.23Å; H279-W453 AromaticContact CD2-CE3 3.88Å; H279-W453 AromaticContact CD2-CH2 3.96Å; H279-W453 AromaticContact CD2-CZ3 3.48Å; H279-W453 VanDerWaalsContact CD2-CZ3 3.48Å; H279-W453 WeakPolarHBondContact CD2-CZ3 3.31Å; H279-H489 AromaticContact CE1-CE1 3.26Å; H279-H489 PolarHBondContact CE1-CE1 2.92Å; H279-H489 AromaticContact CE1-ND1 3.98Å; H279-H489 AromaticContact ND1-CE1 3.99Å; H279-H489 AromaticContact NE2-CE1 3.72Å
280	F	92.3	Very high	90.6	Very high	60 Å²	60	54.2 Å²	54.2	26%	0.263	28%	0.276	S	S	.	.	S	Bend	trans	-134.5	151.6	-178.6	-61.1	-78.7	0	0	0	110.3	D284 I286 Q432 L451 W453	F280-D284 HydrophobicContact CB-CB 3.94Å; F280-D284 VanDerWaalsContact CD1-OD2 3.25Å; F280-D284 WeakPolarHBondContact CD1-OD2 3.45Å; F280-I286 HydrophobicContact CD1-CD1 4.09Å; F280-I286 HydrophobicContact CE1-CD1 3.56Å; F280-I286 HydrophobicContact CE2-CD1 4.36Å; F280-I286 HydrophobicContact CZ-CD1 3.71Å; F280-Q432 PolarHBondContact O-NE2 2.96Å; F280-L451 HydrophobicContact CD2-CD1 4.26Å; F280-W453 AromaticContact CD2-CH2 3.96Å; F280-W453 HydrophobicContact CD2-CH2 3.96Å; F280-W453 AromaticContact CD2-CZ2 3.5Å; F280-W453 HydrophobicContact CD2-CZ2 3.5Å; F280-W453 VanDerWaalsContact CD2-CZ2 3.5Å; F280-W453 HydrophobicContact CE2-CH2 4.29Å; F280-W453 AromaticContact CE2-CZ2 3.46Å; F280-W453 HydrophobicContact CE2-CZ2 3.46Å; F280-W453 VanDerWaalsContact CE2-CZ2 3.46Å
281	N	92	Very high	90.1	Very high	119 Å²	119	59.9 Å²	59.9	64%	0.636	31%	0.306	S	S	*	.			trans	-71.8	159.8	171.9	-67.2	-27.7	0	0	0	110.3	D283 D284 C287	N281-D283 PolarHBondContact O-N 2.99Å; N281-D284 VanDerWaalsContact O-CB 3.26Å; N281-D284 WeakPolarHBondContact O-CB 3.49Å; N281-D284 PolarHBondContact O-N 3.34Å; N281-D284 VanDerWaalsContact O-N 3.11Å; N281-C287 PolarHBondContact O-SG 3.45Å
282	L	91	Very high	89.6	Confident	29 Å²	29	62.8 Å²	62.8	15%	0.152	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-30.9	-179.8	-64.2	176	0	0	0	112.8	D284 P413 N434	L282-D284 VanDerWaalsContact C-N 3.3Å; L282-D284 PolarHBondContact O-N 2.99Å; L282-P413 HydrophobicContact CD2-CB 3.88Å; L282-P413 HydrophobicContact CD2-CG 4.34Å; L282-N434 HydrophobicContact CD2-CB 3.81Å; L282-N434 WeakPolarHBondContact CD2-O 3.1Å; L282-N434 WeakPolarHBondContact CD2-OD1 3.49Å
283	D	90.9	Very high	89.4	Confident	145 Å²	145	64.4 Å²	64.4	78%	0.775	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	2.4	-179.1	-55.3	-40.1	0	0	0	113.5	N281	N281-D283 PolarHBondContact O-N 2.99Å
284	D	92.8	Very high	89.1	Confident	41 Å²	41	69 Å²	69	22%	0.219	36%	0.362	C	S	.	.			trans	-66.4	134.7	-179.6	-166.3	-61.6	0	0	0	110.9	F280 N281 L282 I286 C287 F288	F280-D284 HydrophobicContact CB-CB 3.94Å; F280-D284 VanDerWaalsContact CD1-OD2 3.25Å; F280-D284 WeakPolarHBondContact CD1-OD2 3.45Å; N281-D284 VanDerWaalsContact O-CB 3.26Å; N281-D284 WeakPolarHBondContact O-CB 3.49Å; N281-D284 PolarHBondContact O-N 3.34Å; N281-D284 VanDerWaalsContact O-N 3.11Å; L282-D284 VanDerWaalsContact C-N 3.3Å; L282-D284 PolarHBondContact O-N 2.99Å; D284-I286 PolarHBondContact O-N 2.76Å; D284-I286 WeakPolarHBondContact OD1-CB 3.36Å; D284-I286 WeakPolarHBondContact OD1-CG1 3.37Å; D284-I286 PolarHBondContact OD1-N 2.99Å; D284-C287 VanDerWaalsContact O-CB 3.24Å; D284-C287 WeakPolarHBondContact O-CB 3.35Å; D284-C287 PolarHBondContact O-N 2.99Å; D284-F288 VanDerWaalsContact O-CD2 3.32Å; D284-F288 WeakPolarHBondContact O-CD2 3.33Å; D284-F288 WeakPolarHBondContact O-CE2 3.34Å
285	P	92.4	Very high	88.6	Confident	103 Å²	103	68 Å²	68	67%	0.669	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-53.9	-28.1	178.3	21.9	-35.2	0	0	0	113.9	C287 F288	P285-C287 PolarHBondContact O-N 3.01Å; P285-F288 PolarHBondContact O-N 3.47Å; P285-F288 VanDerWaalsContact O-N 3.08Å
286	I	91	Very high	87.7	Confident	60 Å²	60	70.4 Å²	70.4	31%	0.308	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-62.9	-29.5	178.3	-65.8	170.9	0	0	0	111.9	K132 I134 F280 D284 F288 L451	K132-I286 PolarHBondContact NZ-O 2.86Å; I134-I286 HydrophobicContact CD1-CG2 4.12Å; F280-I286 HydrophobicContact CD1-CD1 4.09Å; F280-I286 HydrophobicContact CE1-CD1 3.56Å; F280-I286 HydrophobicContact CE2-CD1 4.36Å; F280-I286 HydrophobicContact CZ-CD1 3.71Å; D284-I286 PolarHBondContact O-N 2.76Å; D284-I286 WeakPolarHBondContact OD1-CB 3.36Å; D284-I286 WeakPolarHBondContact OD1-CG1 3.37Å; D284-I286 PolarHBondContact OD1-N 2.99Å; I286-F288 PolarHBondContact O-N 3.07Å; I286-L451 HydrophobicContact CG2-CD1 4.16Å; I286-L451 HydrophobicContact CG2-CD2 4.48Å
287	C	90.3	Very high	87	Confident	0 Å²	0	74 Å²	74	0%	0	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-70.3	-12.4	177.9	-61.9	0	0	0	0	112.6	N281 D284 P285 N434 P448 Y449	N281-C287 PolarHBondContact O-SG 3.45Å; D284-C287 VanDerWaalsContact O-CB 3.24Å; D284-C287 WeakPolarHBondContact O-CB 3.35Å; D284-C287 PolarHBondContact O-N 2.99Å; P285-C287 PolarHBondContact O-N 3.01Å; C287-N434 PolarHBondContact SG-ND2 2.58Å; C287-N434 VanDerWaalsContact SG-ND2 3.39Å; C287-P448 HydrophobicContact CB-CB 3.78Å; C287-Y449 WeakPolarHBondContact O-CB 3.32Å; C287-Y449 PolarHBondContact O-N 2.8Å
288	F	90.9	Very high	86.3	Confident	70 Å²	70	69.2 Å²	69.2	31%	0.307	36%	0.363	S	S	.	.			trans	-107.6	144.8	178.6	-54.4	-81.7	0	0	0	110.3	D284 P285 I286 M446 P448	D284-F288 VanDerWaalsContact O-CD2 3.32Å; D284-F288 WeakPolarHBondContact O-CD2 3.33Å; D284-F288 WeakPolarHBondContact O-CE2 3.34Å; P285-F288 PolarHBondContact O-N 3.47Å; P285-F288 VanDerWaalsContact O-N 3.08Å; I286-F288 PolarHBondContact O-N 3.07Å; F288-M446 VanDerWaalsContact CE1-O 3.31Å; F288-M446 WeakPolarHBondContact CE1-O 3.48Å; F288-P448 HydrophobicContact CE1-CB 4.13Å; F288-P448 HydrophobicContact CZ-CB 4.22Å
289	L	84	Confident	85.8	Confident	58 Å²	58	67.8 Å²	67.8	30%	0.304	35%	0.354	S	S	.	.			trans	-115.4	140.4	175.1	-81.5	163.3	0	0	0	108.6	K132 N291 I293 Y449	K132-L289 HydrophobicContact CB-CD1 4.15Å; K132-L289 HydrophobicContact CD-CD1 4.34Å; K132-L289 HydrophobicContact CD-CD2 3.88Å; K132-L289 HydrophobicContact CD-CG 4.03Å; K132-L289 HydrophobicContact CG-CD1 4.32Å; K132-L289 HydrophobicContact CG-CD2 4.29Å; L289-N291 VanDerWaalsContact C-N 3.32Å; L289-N291 WeakPolarHBondContact CB-O 3.48Å; L289-I293 HydrophobicContact CD1-CD1 4.17Å; L289-I293 HydrophobicContact CD1-CG1 4.05Å; L289-Y449 HydrophobicContact CB-CD2 4.02Å; L289-Y449 HydrophobicContact CB-CE2 3.78Å; L289-Y449 HydrophobicContact CD1-CD1 3.7Å; L289-Y449 HydrophobicContact CD1-CD2 3.98Å; L289-Y449 HydrophobicContact CD1-CE1 3.87Å; L289-Y449 HydrophobicContact CD1-CE2 4.12Å; L289-Y449 HydrophobicContact CD1-CG 3.78Å; L289-Y449 HydrophobicContact CG-CD2 4.19Å; L289-Y449 HydrophobicContact CG-CE2 4.36Å; L289-Y449 HydrophobicContact CG-CG 4.39Å
290	E	78.5	Confident	85.2	Confident	192 Å²	192	66.6 Å²	66.6	90%	0.897	35%	0.348	S	S	*	.	S	Bend	trans	-68.3	-36.1	173.4	-65.2	-179.6	176.3	0	0	111.3
291	N	81.8	Confident	84.6	Confident	122 Å²	122	65 Å²	65	65%	0.652	35%	0.346	S	S	*	.	S	Bend	trans	-120.2	135.2	-179.7	-64.5	-48.5	0	0	0	110.6	L289	L289-N291 VanDerWaalsContact C-N 3.32Å; L289-N291 WeakPolarHBondContact CB-O 3.48Å
292	P	82.7	Confident	84.2	Confident	65 Å²	65	60.1 Å²	60.1	42%	0.422	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-65.9	150.7	176.8	28.8	-34.2	0	0	0	111	V294 E443	P292-V294 PolarHBondContact O-N 3.02Å; P292-E443 HydrophobicContact CB-CB 4.4Å; P292-E443 HydrophobicContact CB-CG 4.15Å
293	I	85.1	Confident	83.7	Confident	33 Å²	33	64.6 Å²	64.6	17%	0.169	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-72.5	116.1	172.6	-59.4	167.9	0	0	0	107.3	Q126 F127 T131 L289 Y449	Q126-I293 HydrophobicContact CB-CD1 4.46Å; Q126-I293 HydrophobicContact CB-CG2 4.17Å; F127-I293 HydrophobicContact CB-CG2 4.33Å; F127-I293 WeakPolarHBondContact CD2-O 3.4Å; T131-I293 VanDerWaalsContact O-CD1 3.24Å; T131-I293 WeakPolarHBondContact O-CD1 3.05Å; L289-I293 HydrophobicContact CD1-CD1 4.17Å; L289-I293 HydrophobicContact CD1-CG1 4.05Å; I293-Y449 HydrophobicContact CD1-CD1 4.09Å; I293-Y449 HydrophobicContact CD1-CE1 4.15Å; I293-Y449 HydrophobicContact CG1-CE1 4.3Å
294	V	80.9	Confident	83.4	Confident	102 Å²	102	58.8 Å²	58.8	62%	0.618	31%	0.312	S	S	*	.	P	Polyproline II helix	trans	-102.1	135.1	179	-174.9	0	0	0	0	109.3	P292 N296	P292-V294 PolarHBondContact O-N 3.02Å; V294-N296 WeakPolarHBondContact CG1-OD1 3.25Å
295	C	81.4	Confident	82.7	Confident	7 Å²	7	63.7 Å²	63.7	5%	0.047	33%	0.334	C	S	.	.			trans	-130.1	122.5	171.6	-178.7	0	0	0	0	108.7	F127 Y297	F127-C295 HydrophobicContact CB-CB 3.47Å; F127-C295 VanDerWaalsContact CB-CB 3.47Å; F127-C295 HydrophobicContact CD1-CB 3.97Å; F127-C295 HydrophobicContact CD2-CB 4Å; F127-C295 HydrophobicContact CG-CB 3.53Å; C295-Y297 VanDerWaalsContact C-N 3.33Å
296	N	74.9	Confident	82	Confident	58 Å²	58	61.9 Å²	61.9	31%	0.31	32%	0.318	S	S	.	.			trans	-98	22.7	-178.2	-63.7	-2.4	0	0	0	112.2	V239 N240 V294	V239-N296 VanDerWaalsContact CG1-O 3.32Å; V239-N296 WeakPolarHBondContact CG1-O 3.01Å; N240-N296 PolarHBondContact N-O 2.94Å; V294-N296 WeakPolarHBondContact CG1-OD1 3.25Å
297	Y	77.9	Confident	81.2	Confident	80 Å²	80	59.8 Å²	59.8	31%	0.314	31%	0.308	S	S	.	.			trans	-108.6	132	175.5	-64.9	-73.4	0	0	0	109.4	N240 E241 C295 A301 F302	N240-Y297 HydrophobicContact CB-CD1 4.13Å; N240-Y297 HydrophobicContact CB-CE1 3.46Å; N240-Y297 VanDerWaalsContact CB-CE1 3.46Å; N240-Y297 HydrophobicContact CB-CE2 4.43Å; E241-Y297 HydrophobicContact CG-CD1 4.45Å; C295-Y297 VanDerWaalsContact C-N 3.33Å; Y297-A301 HydrophobicContact CD1-CB 4.1Å; Y297-F302 HydrophobicContact CD1-CZ 4.39Å; Y297-F302 HydrophobicContact CD2-CZ 4.08Å; Y297-F302 HydrophobicContact CG-CE2 4.14Å; Y297-F302 AromaticContact CG-CZ 3.84Å; Y297-F302 HydrophobicContact CG-CZ 3.84Å
298	R	78.5	Confident	80.3	Confident	15 Å²	15	62.7 Å²	62.7	6%	0.057	32%	0.322	C	S	.	.			trans	-80.4	158.5	170.5	-53.5	174.5	175.5	179.6	1.4	109.8	V233 F234 V239 E241 N248 E300 A301	V233-R298 HydrophobicContact CG1-CG 3.97Å; V233-R298 PolarHBondContact O-NE 2.67Å; V233-R298 PolarHBondContact O-NH2 2.99Å; F234-R298 VanDerWaalsContact CA-NH2 3.29Å; F234-R298 HydrophobicContact CD1-CG 4.49Å; F234-R298 HydrophobicContact CE1-CG 4.34Å; F234-R298 PolarHBondContact O-NH2 3.43Å; V239-R298 HydrophobicContact CG1-CG 4.22Å; E241-R298 VanDerWaalsContact OE1-CB 3.25Å; E241-R298 WeakPolarHBondContact OE1-CB 3.45Å; E241-R298 WeakPolarHBondContact OE1-CG 3.34Å; E241-R298 PolarHBondContact OE1-N 3.11Å; N248-R298 PolarHBondContact OD1-NH1 2.74Å; R298-E300 WeakPolarHBondContact CB-OE2 3.14Å; R298-E300 PolarHBondContact O-N 2.94Å; R298-E300 VanDerWaalsContact O-N 3.16Å; R298-A301 VanDerWaalsContact O-CB 3.32Å; R298-A301 WeakPolarHBondContact O-CB 3.35Å; R298-A301 PolarHBondContact O-N 3.19Å; R298-A301 VanDerWaalsContact O-N 3.1Å
299	P	82.4	Confident	79.1	Confident	4 Å²	4	59.4 Å²	59.4	3%	0.026	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-49.6	-35	173.9	-29.9	36.6	0	0	0	114.4	T250 V258 Y260 A301 F302 L304	T250-P299 HydrophobicContact CG2-CG 4.15Å; T250-P299 WeakPolarHBondContact OG1-CD 3.34Å; V258-P299 HydrophobicContact CG1-CG 4.13Å; Y260-P299 HydrophobicContact CE1-CG 4.14Å; Y260-P299 WeakPolarHBondContact OH-CG 3.36Å; P299-A301 VanDerWaalsContact C-N 3.29Å; P299-A301 PolarHBondContact O-N 2.57Å; P299-F302 PolarHBondContact O-N 3.23Å; P299-L304 HydrophobicContact CB-CB 4.37Å; P299-L304 HydrophobicContact CB-CD1 4.05Å; P299-L304 WeakPolarHBondContact O-CG 3.47Å; P299-L304 PolarHBondContact O-N 3.43Å
300	E	77.4	Confident	77.9	Confident	35 Å²	35	61.1 Å²	61.1	16%	0.164	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-66.7	-28.5	-178.6	-57	92	153.7	0	0	112.7	E249 T250 R298 F302 D303	E249-E300 HydrophobicContact CB-CG 4.28Å; E249-E300 PolarHBondContact N-OE1 2.85Å; E249-E300 VanDerWaalsContact N-OE1 3.15Å; T250-E300 WeakPolarHBondContact CA-OE1 3.34Å; T250-E300 WeakPolarHBondContact CB-OE1 3.43Å; T250-E300 PolarHBondContact N-OE1 2.97Å; T250-E300 PolarHBondContact OG1-OE1 3.34Å; T250-E300 PolarHBondContact OG1-OE2 2.94Å; R298-E300 WeakPolarHBondContact CB-OE2 3.14Å; R298-E300 PolarHBondContact O-N 2.94Å; R298-E300 VanDerWaalsContact O-N 3.16Å; E300-F302 PolarHBondContact O-N 3.46Å; E300-D303 PolarHBondContact O-N 3.01Å
301	A	79.3	Confident	77	Confident	27 Å²	27	55.4 Å²	55.4	22%	0.223	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-57.9	-20.9	175.3	0	0	0	0	0	113.2	E241 Y297 R298 P299	E241-A301 HydrophobicContact CG-CB 3.83Å; E241-A301 WeakPolarHBondContact OE1-CB 3.42Å; Y297-A301 HydrophobicContact CD1-CB 4.1Å; R298-A301 VanDerWaalsContact O-CB 3.32Å; R298-A301 WeakPolarHBondContact O-CB 3.35Å; R298-A301 PolarHBondContact O-N 3.19Å; R298-A301 VanDerWaalsContact O-N 3.1Å; P299-A301 VanDerWaalsContact C-N 3.29Å; P299-A301 PolarHBondContact O-N 2.57Å
302	F	83.4	Confident	76	Confident	16 Å²	16	50 Å²	50	7%	0.07	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-116	21.6	-179.8	-51	-70.3	0	0	0	112.5	H118 M121 F124 Y297 P299 E300 L304	H118-F302 HydrophobicContact CB-CD1 4.09Å; H118-F302 PolarHBondContact CD2-O 3.01Å; H118-F302 VanDerWaalsContact CD2-O 3.26Å; H118-F302 PolarHBondContact NE2-O 3.05Å; H118-F302 VanDerWaalsContact NE2-O 3.07Å; M121-F302 HydrophobicContact CE-CB 3.89Å; M121-F302 HydrophobicContact CE-CD1 4.24Å; M121-F302 HydrophobicContact CE-CD2 4.27Å; M121-F302 HydrophobicContact CE-CG 3.88Å; M121-F302 HydrophobicContact CG-CD1 3.61Å; M121-F302 HydrophobicContact CG-CE1 3.77Å; M121-F302 HydrophobicContact CG-CG 4.23Å; M121-F302 HydrophobicContact SD-CB 4.35Å; M121-F302 HydrophobicContact SD-CD1 4.19Å; M121-F302 HydrophobicContact SD-CG 4.36Å; F124-F302 HydrophobicContact CB-CE2 3.68Å; F124-F302 HydrophobicContact CB-CZ 3.88Å; F124-F302 HydrophobicContact CD1-CD2 4.22Å; F124-F302 HydrophobicContact CD1-CE2 4.12Å; F124-F302 HydrophobicContact CD2-CD2 4.05Å; F124-F302 AromaticContact CD2-CE2 3.51Å; F124-F302 HydrophobicContact CD2-CE2 3.51Å; F124-F302 HydrophobicContact CD2-CZ 4.5Å; F124-F302 HydrophobicContact CE1-CD2 4.41Å; F124-F302 HydrophobicContact CE2-CD2 4.25Å; F124-F302 HydrophobicContact CE2-CE2 4.13Å; F124-F302 HydrophobicContact CG-CD2 4.02Å; F124-F302 AromaticContact CG-CE2 3.49Å; F124-F302 HydrophobicContact CG-CE2 3.49Å; F124-F302 VanDerWaalsContact CG-CE2 3.49Å; F124-F302 HydrophobicContact CG-CZ 4.2Å; F124-F302 HydrophobicContact CZ-CD2 4.42Å; Y297-F302 HydrophobicContact CD1-CZ 4.39Å; Y297-F302 HydrophobicContact CD2-CZ 4.08Å; Y297-F302 HydrophobicContact CG-CE2 4.14Å; Y297-F302 AromaticContact CG-CZ 3.84Å; Y297-F302 HydrophobicContact CG-CZ 3.84Å; P299-F302 PolarHBondContact O-N 3.23Å; E300-F302 PolarHBondContact O-N 3.46Å; F302-L304 HydrophobicContact CB-CD2 4.28Å; F302-L304 HydrophobicContact CB-CG 4.1Å; F302-L304 PolarHBondContact O-N 3.22Å
303	D	81.1	Confident	75	Confident	123 Å²	123	47.7 Å²	47.7	66%	0.658	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.8	34.4	178	-65.4	-47.3	0	0	0	113.4	H118 E300 Q305	H118-D303 IonicContact CE1-OD2 2.74Å; H118-D303 PolarHBondContact CE1-OD2 2.8Å; H118-D303 IonicContact NE2-OD2 3.68Å; E300-D303 PolarHBondContact O-N 3.01Å; D303-Q305 PolarHBondContact O-N 2.81Å; D303-Q305 VanDerWaalsContact O-N 3.1Å
304	L	84.1	Confident	73.4	Confident	24 Å²	24	47 Å²	47	13%	0.126	24%	0.239	C	C	.	.			trans	-68.8	111.7	-174.9	-64.3	-176.1	0	0	0	110.9	H110 I112 M121 F124 Y260 P299 F302 L306	H110-L304 HydrophobicContact CB-CB 4.24Å; H110-L304 HydrophobicContact CB-CD1 4.48Å; I112-L304 HydrophobicContact CG1-CD1 4.03Å; I112-L304 HydrophobicContact CG1-CD2 4.24Å; M121-L304 HydrophobicContact CE-CD2 4.37Å; F124-L304 HydrophobicContact CE1-CD1 3.89Å; F124-L304 HydrophobicContact CZ-CD1 3.72Å; Y260-L304 HydrophobicContact CE1-CD1 4.26Å; P299-L304 HydrophobicContact CB-CB 4.37Å; P299-L304 HydrophobicContact CB-CD1 4.05Å; P299-L304 WeakPolarHBondContact O-CG 3.47Å; P299-L304 PolarHBondContact O-N 3.43Å; F302-L304 HydrophobicContact CB-CD2 4.28Å; F302-L304 HydrophobicContact CB-CG 4.1Å; F302-L304 PolarHBondContact O-N 3.22Å; L304-L306 PolarHBondContact O-N 2.84Å
305	Q	77.9	Confident	72	Confident	143 Å²	143	45.8 Å²	45.8	67%	0.668	23%	0.229	S	C	*	.			trans	-64.5	129.4	-178.1	-66.7	-176.3	0.4	0	0	111.9	S111 D303	S111-Q305 PolarHBondContact N-O 2.76Å; D303-Q305 PolarHBondContact O-N 2.81Å; D303-Q305 VanDerWaalsContact O-N 3.1Å
306	L	78.6	Confident	70.3	Confident	65 Å²	65	46.5 Å²	46.5	34%	0.34	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	126.4	171.9	-151.1	97.7	0	0	0	110.2	W108 H110 I251 L304	W108-L306 HydrophobicContact CB-CD2 3.85Å; W108-L306 HydrophobicContact CB-CG 4.09Å; W108-L306 HydrophobicContact CD2-CD2 3.72Å; W108-L306 HydrophobicContact CE3-CD2 3.35Å; W108-L306 HydrophobicContact CE3-CG 4.19Å; W108-L306 HydrophobicContact CG-CD2 3.95Å; W108-L306 HydrophobicContact CZ3-CD2 4.12Å; H110-L306 WeakPolarHBondContact NE2-CD1 2.96Å; I251-L306 HydrophobicContact CB-CD1 4.44Å; I251-L306 HydrophobicContact CD1-CD1 4.33Å; I251-L306 HydrophobicContact CD1-CD2 3.44Å; I251-L306 VanDerWaalsContact CD1-CD2 3.44Å; I251-L306 HydrophobicContact CD1-CG 4.48Å; I251-L306 HydrophobicContact CG1-CD1 4.06Å; I251-L306 HydrophobicContact CG1-CD2 4.03Å; L304-L306 PolarHBondContact O-N 2.84Å
307	V	74.8	Confident	69	Low	17 Å²	17	52 Å²	52	10%	0.103	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	122.9	-177.5	-179	0	0	0	0	110.5	F109 C309 S324	F109-V307 PolarHBondContact N-O 3.2Å; F109-V307 PolarHBondContact O-N 3.31Å; V307-C309 PolarHBondContact O-N 3.2Å; V307-S324 WeakPolarHBondContact CG1-O 3.3Å
308	E	70.5	Confident	67.4	Low	60 Å²	60	49 Å²	49	28%	0.28	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	118.9	169.7	-148.8	175.5	168.8	0	0	109.4	W108 Y310	W108-E308 HydrophobicContact CD2-CB 4.3Å; W108-E308 HydrophobicContact CD2-CG 4.06Å; W108-E308 HydrophobicContact CE3-CB 3.69Å; W108-E308 HydrophobicContact CE3-CG 3.95Å; W108-E308 HydrophobicContact CH2-CB 3.98Å; W108-E308 VanDerWaalsContact CH2-CD 3.48Å; W108-E308 HydrophobicContact CH2-CG 3.89Å; W108-E308 VanDerWaalsContact CH2-OE2 3.22Å; W108-E308 WeakPolarHBondContact CH2-OE2 3.36Å; W108-E308 HydrophobicContact CZ2-CG 3.97Å; W108-E308 HydrophobicContact CZ3-CB 3.54Å; W108-E308 HydrophobicContact CZ3-CG 3.9Å; E308-Y310 HydrophobicContact CB-CE1 4.05Å; E308-Y310 HydrophobicContact CB-CE2 4.19Å; E308-Y310 VanDerWaalsContact CD-OH 3.28Å; E308-Y310 HydrophobicContact CG-CD1 4.14Å; E308-Y310 HydrophobicContact CG-CE1 3.51Å; E308-Y310 WeakPolarHBondContact OE1-CE1 3.49Å; E308-Y310 WeakPolarHBondContact OE2-CE1 3.24Å; E308-Y310 PolarHBondContact OE2-OH 2.63Å
309	C	66.9	Low	65.7	Low	1 Å²	1	51.2 Å²	51.2	1%	0.007	26%	0.255	C	S	.	.			trans	-97.6	125.9	169.1	-66.3	0	0	0	0	107.5	Y101 F109 V307 A327	Y101-C309 PolarHBondContact OH-O 3.21Å; F109-C309 HydrophobicContact CD2-CB 3.99Å; F109-C309 HydrophobicContact CE2-CB 3.93Å; V307-C309 PolarHBondContact O-N 3.2Å; C309-A327 HydrophobicContact CB-CB 3.93Å
310	Y	57.2	Low	64	Low	95 Å²	95	52 Å²	52	37%	0.373	26%	0.26	S	S	.	.			trans	-103.5	-15	-174.5	-60.1	-71.4	0	0	0	113.7	K37 Y101 E308 E325	K37-Y310 PolarHBondContact NZ-OH 3.04Å; Y101-Y310 VanDerWaalsContact OH-CA 3.28Å; Y101-Y310 WeakPolarHBondContact OH-CA 3.46Å; Y101-Y310 PolarHBondContact OH-O 3Å; Y101-Y310 VanDerWaalsContact OH-O 3.13Å; E308-Y310 HydrophobicContact CB-CE1 4.05Å; E308-Y310 HydrophobicContact CB-CE2 4.19Å; E308-Y310 VanDerWaalsContact CD-OH 3.28Å; E308-Y310 HydrophobicContact CG-CD1 4.14Å; E308-Y310 HydrophobicContact CG-CE1 3.51Å; E308-Y310 WeakPolarHBondContact OE1-CE1 3.49Å; E308-Y310 WeakPolarHBondContact OE2-CE1 3.24Å; E308-Y310 PolarHBondContact OE2-OH 2.63Å; Y310-E325 HydrophobicContact CD2-CB 4.45Å; Y310-E325 PolarHBondContact N-O 2.92Å
311	N	60.2	Low	62.6	Low	71 Å²	71	54.3 Å²	54.3	38%	0.38	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	149.3	177.6	-159.5	-5.8	0	0	0	112	Y101 F326 A327	Y101-N311 PolarHBondContact OH-N 3.03Å; N311-F326 HydrophobicContact CB-CD1 3.87Å; N311-F326 HydrophobicContact CB-CE1 3.97Å; N311-F326 WeakPolarHBondContact O-CA 3.36Å; N311-F326 WeakPolarHBondContact O-CD1 3.48Å; N311-A327 PolarHBondContact O-N 2.81Å; N311-A327 VanDerWaalsContact O-N 3.11Å
312	F	61.4	Low	61	Low	8 Å²	8	58.7 Å²	58.7	4%	0.035	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	130.4	162.2	-174.1	-104.7	0	0	0	109	L97 H98 Y101 F224 C314 A327	L97-F312 HydrophobicContact CB-CD1 4.33Å; L97-F312 HydrophobicContact CB-CE1 3.48Å; L97-F312 VanDerWaalsContact CB-CE1 3.48Å; L97-F312 HydrophobicContact CB-CE2 3.76Å; L97-F312 HydrophobicContact CB-CZ 3.19Å; L97-F312 HydrophobicContact CD1-CZ 3.8Å; L97-F312 HydrophobicContact CG-CZ 4.08Å; H98-F312 HydrophobicContact CB-CD1 4.16Å; Y101-F312 HydrophobicContact CD1-CB 3.85Å; Y101-F312 HydrophobicContact CD2-CB 4.17Å; Y101-F312 HydrophobicContact CG-CB 3.61Å; F224-F312 HydrophobicContact CE1-CD2 4.45Å; F224-F312 HydrophobicContact CE1-CE2 4.1Å; F312-C314 HydrophobicContact CE1-CB 3.78Å; F312-C314 VanDerWaalsContact CE1-SG 3.51Å; F312-C314 HydrophobicContact CZ-CB 4.24Å; F312-A327 WeakPolarHBondContact CA-O 3.47Å; F312-A327 WeakPolarHBondContact CD2-O 3.15Å
313	N	60.6	Low	59.5	Low	18 Å²	18	61.3 Å²	61.3	10%	0.096	30%	0.303	C	S	.	.			trans	-134.3	119	176.6	-170.1	0.5	0	0	0	111.6	L315 F326 A327 R328	N313-L315 WeakPolarHBondContact OD1-CB 3.39Å; N313-L315 VanDerWaalsContact OD1-CG 3.26Å; N313-L315 WeakPolarHBondContact OD1-CG 3.34Å; N313-L315 PolarHBondContact OD1-N 2.86Å; N313-F326 HydrophobicContact CB-CB 3.93Å; N313-F326 HydrophobicContact CB-CD1 3.32Å; N313-F326 HydrophobicContact CB-CD2 4.48Å; N313-F326 HydrophobicContact CB-CE1 3.87Å; N313-F326 HydrophobicContact CB-CG 3.66Å; N313-A327 PolarHBondContact N-O 2.67Å; N313-R328 WeakPolarHBondContact O-CD 3.4Å; N313-R328 WeakPolarHBondContact O-CG 3.12Å
314	C	51.7	Low	58.1	Low	18 Å²	18	57.9 Å²	57.9	12%	0.122	29%	0.289	C	S	.	.			trans	-112	13.2	178.4	34.8	0	0	0	0	111.7	F94 F312 W334	F94-C314 HydrophobicContact CD2-CB 4.06Å; F94-C314 WeakPolarHBondContact CD2-SG 3.11Å; F94-C314 HydrophobicContact CE2-CB 4.14Å; F94-C314 WeakPolarHBondContact CE2-SG 3.12Å; F312-C314 HydrophobicContact CE1-CB 3.78Å; F312-C314 VanDerWaalsContact CE1-SG 3.51Å; F312-C314 HydrophobicContact CZ-CB 4.24Å; C314-W334 WeakPolarHBondContact O-CZ3 3.27Å
315	L	51.7	Low	56.9	Low	77 Å²	77	58.6 Å²	58.6	40%	0.403	29%	0.291	S	S	.	.			trans	-73	128	179.2	-66.3	175	0	0	0	110.9	N313 F317 A318 F339	N313-L315 WeakPolarHBondContact OD1-CB 3.39Å; N313-L315 VanDerWaalsContact OD1-CG 3.26Å; N313-L315 WeakPolarHBondContact OD1-CG 3.34Å; N313-L315 PolarHBondContact OD1-N 2.86Å; L315-F317 PolarHBondContact O-N 3.4Å; L315-A318 PolarHBondContact O-N 3.37Å; L315-F339 HydrophobicContact CD2-CD2 3.93Å; L315-F339 HydrophobicContact CD2-CE2 3.95Å
316	P	44.9	Very low	56.2	Low	21 Å²	21	53.6 Å²	53.6	14%	0.136	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-7.4	-173.2	24.2	-32.5	0	0	0	115.4	W334	P316-W334 HydrophobicContact CB-CB 4.36Å; P316-W334 HydrophobicContact CB-CD2 3.91Å; P316-W334 HydrophobicContact CB-CG 3.66Å
317	F	48	Very low	55.7	Low	174 Å²	174	50.5 Å²	50.5	76%	0.763	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.6	3.5	-169	-52.5	-64.6	0	0	0	114.3	L315	L315-F317 PolarHBondContact O-N 3.4Å
318	A	44.5	Very low	55.7	Low	18 Å²	18	49.8 Å²	49.8	15%	0.149	25%	0.247	C	C	.	.	S	Bend	trans	-86.6	121.7	175.6	0	0	0	0	0	110.1	L315 T320 F323 R328	L315-A318 PolarHBondContact O-N 3.37Å; A318-T320 PolarHBondContact O-N 2.89Å; A318-T320 VanDerWaalsContact O-N 3.08Å; A318-F323 HydrophobicContact CB-CD2 4.42Å; A318-R328 PolarHBondContact O-NH1 2.7Å
319	R	43.8	Very low	56.3	Low	60 Å²	60	47.4 Å²	47.4	23%	0.226	24%	0.237	C	C	.	.			trans	-49.9	115.6	177.6	-64.7	-178.3	175.2	173.5	0.9	110.7	S22 V24 L25 F323	S22-R319 PolarHBondContact O-NH2 2.8Å; V24-R319 PolarHBondContact O-NH2 3.42Å; L25-R319 PolarHBondContact O-NH1 3.15Å; L25-R319 VanDerWaalsContact O-NH1 3.14Å; R319-F323 HydrophobicContact CB-CD2 3.99Å; R319-F323 HydrophobicContact CB-CE2 3.62Å; R319-F323 HydrophobicContact CG-CE2 4.21Å; R319-F323 WeakPolarHBondContact O-CD2 3.35Å
320	T	47	Very low	57.1	Low	21 Å²	21	47.4 Å²	47.4	13%	0.129	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-39.5	-165.4	40.3	0	0	0	0	113.3	T220 E222 A318 I330 W334	T220-T320 HydrophobicContact CG2-CG2 4.46Å; T220-T320 VanDerWaalsContact CG2-OG1 3.28Å; T220-T320 WeakPolarHBondContact CG2-OG1 3.14Å; E222-T320 VanDerWaalsContact OE1-O 3.14Å; A318-T320 PolarHBondContact O-N 2.89Å; A318-T320 VanDerWaalsContact O-N 3.08Å; T320-I330 HydrophobicContact CG2-CD1 3.85Å; T320-W334 HydrophobicContact CG2-CZ2 4.34Å
321	I	46.6	Very low	58.4	Low	83 Å²	83	42.9 Å²	42.9	43%	0.426	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-32.9	-170	-64.4	164.7	0	0	0	113.7	R263 E265	R263-I321 PolarHBondContact NH1-O 2.88Å; E265-I321 WeakPolarHBondContact OE2-CD1 3.49Å
322	D	46.1	Very low	59.3	Low	120 Å²	120	40.2 Å²	40.2	64%	0.642	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-10.3	-169.3	-63.8	-29.4	0	0	0	114.6	S324	D322-S324 PolarHBondContact O-N 3.34Å
323	F	51.7	Low	60.2	Low	71 Å²	71	40.4 Å²	40.4	31%	0.311	21%	0.209	S	C	.	.			trans	-100.3	82.3	-178.8	-64.7	-57.7	0	0	0	110.8	A318 R319 E325 F326	A318-F323 HydrophobicContact CB-CD2 4.42Å; R319-F323 HydrophobicContact CB-CD2 3.99Å; R319-F323 HydrophobicContact CB-CE2 3.62Å; R319-F323 HydrophobicContact CG-CE2 4.21Å; R319-F323 WeakPolarHBondContact O-CD2 3.35Å; F323-E325 PolarHBondContact O-N 3.48Å; F323-F326 HydrophobicContact CB-CD2 3.87Å; F323-F326 HydrophobicContact CB-CE2 4.11Å; F323-F326 HydrophobicContact CG-CE2 4.43Å
324	S	52.9	Low	60.7	Low	50 Å²	50	41.8 Å²	41.8	35%	0.35	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-11.8	172.6	64.6	0	0	0	0	114	R261 V307 D322 F326	R261-S324 PolarHBondContact NH1-O 3.49Å; V307-S324 WeakPolarHBondContact CG1-O 3.3Å; D322-S324 PolarHBondContact O-N 3.34Å; S324-F326 VanDerWaalsContact C-N 3.32Å; S324-F326 PolarHBondContact O-N 3.2Å
325	E	58.2	Low	61.8	Low	39 Å²	39	41.7 Å²	41.7	18%	0.182	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-9.5	-169	-63.1	169.9	-163.7	0	0	114.7	R33 Y310 F323	R33-E325 IonicContact CZ-OE1 3.54Å; R33-E325 IonicContact NE-OE1 3.43Å; R33-E325 PolarHBondContact NE-OE1 3.02Å; R33-E325 IonicContact NH1-OE1 3.97Å; R33-E325 PolarHBondContact NH1-OE1 2.87Å; R33-E325 IonicContact NH2-OE1 3.98Å; R33-E325 PolarHBondContact NH2-OE1 2.94Å; Y310-E325 HydrophobicContact CD2-CB 4.45Å; Y310-E325 PolarHBondContact N-O 2.92Å; F323-E325 PolarHBondContact O-N 3.48Å
326	F	63.7	Low	62.9	Low	38 Å²	38	42 Å²	42	17%	0.167	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	134.3	-170.4	-59	-78.4	0	0	0	112.3	N311 N313 F323 S324 R328	N311-F326 HydrophobicContact CB-CD1 3.87Å; N311-F326 HydrophobicContact CB-CE1 3.97Å; N311-F326 WeakPolarHBondContact O-CA 3.36Å; N311-F326 WeakPolarHBondContact O-CD1 3.48Å; N313-F326 HydrophobicContact CB-CB 3.93Å; N313-F326 HydrophobicContact CB-CD1 3.32Å; N313-F326 HydrophobicContact CB-CD2 4.48Å; N313-F326 HydrophobicContact CB-CE1 3.87Å; N313-F326 HydrophobicContact CB-CG 3.66Å; F323-F326 HydrophobicContact CB-CD2 3.87Å; F323-F326 HydrophobicContact CB-CE2 4.11Å; F323-F326 HydrophobicContact CG-CE2 4.43Å; S324-F326 VanDerWaalsContact C-N 3.32Å; S324-F326 PolarHBondContact O-N 3.2Å; F326-R328 HydrophobicContact CB-CG 4.02Å; F326-R328 VanDerWaalsContact CB-NE 3.26Å
327	A	67.2	Low	64.2	Low	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	129.7	165.6	0	0	0	0	0	108.7	Y101 F109 F224 C309 N311 F312 N313	Y101-A327 HydrophobicContact CD2-CB 3.85Å; Y101-A327 HydrophobicContact CE2-CB 3.85Å; F109-A327 HydrophobicContact CE2-CB 4.43Å; F224-A327 HydrophobicContact CD1-CB 4.39Å; C309-A327 HydrophobicContact CB-CB 3.93Å; N311-A327 PolarHBondContact O-N 2.81Å; N311-A327 VanDerWaalsContact O-N 3.11Å; F312-A327 WeakPolarHBondContact CA-O 3.47Å; F312-A327 WeakPolarHBondContact CD2-O 3.15Å; N313-A327 PolarHBondContact N-O 2.67Å
328	R	74.9	Confident	65.4	Low	3 Å²	3	37.7 Å²	37.7	1%	0.011	20%	0.199	C	C	.	.			trans	-147.8	152.9	-175.1	-43.3	-176.2	-171.4	176.9	20.4	110.9	E222 N313 A318 F326 I330	E222-R328 CarbonylContact C-O 3.54Å; N313-R328 WeakPolarHBondContact O-CD 3.4Å; N313-R328 WeakPolarHBondContact O-CG 3.12Å; A318-R328 PolarHBondContact O-NH1 2.7Å; F326-R328 HydrophobicContact CB-CG 4.02Å; F326-R328 VanDerWaalsContact CB-NE 3.26Å; R328-I330 HydrophobicContact CB-CD1 4.25Å; R328-I330 HydrophobicContact CB-CG1 4Å
329	S	82.2	Confident	66.8	Low	9 Å²	9	44.1 Å²	44.1	6%	0.063	22%	0.223	C	C	.	.			trans	-110.1	112.3	164.7	172.8	0	0	0	0	108.1	E222 A397 Y400	E222-S329 CarbonylContact O-C 3.58Å; E222-S329 WeakPolarHBondContact O-CA 3.44Å; S329-A397 VanDerWaalsContact OG-CA 3.25Å; S329-A397 WeakPolarHBondContact OG-CA 3.49Å; S329-A397 WeakPolarHBondContact OG-CB 3.43Å; S329-Y400 WeakPolarHBondContact OG-CB 3.28Å
330	I	84.4	Confident	68.2	Low	1 Å²	1	46.3 Å²	46.3	1%	0.005	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	122.3	-179.6	-51.2	179.1	0	0	0	108.1	T220 I221 E222 T320 R328 W334 A397	T220-I330 VanDerWaalsContact O-CG2 3.22Å; T220-I330 WeakPolarHBondContact O-CG2 3.37Å; I221-I330 VanDerWaalsContact CA-O 3.25Å; I221-I330 WeakPolarHBondContact CA-O 3.27Å; E222-I330 HydrophobicContact CB-CB 4.18Å; E222-I330 HydrophobicContact CB-CD1 4.32Å; E222-I330 HydrophobicContact CB-CG1 4.16Å; E222-I330 HydrophobicContact CG-CB 4.5Å; E222-I330 HydrophobicContact CG-CD1 4.1Å; E222-I330 HydrophobicContact CG-CG1 4.45Å; E222-I330 PolarHBondContact N-O 2.98Å; E222-I330 PolarHBondContact O-N 3.47Å; T320-I330 HydrophobicContact CG2-CD1 3.85Å; R328-I330 HydrophobicContact CB-CD1 4.25Å; R328-I330 HydrophobicContact CB-CG1 4Å; I330-W334 HydrophobicContact CD1-CH2 3.53Å; I330-W334 HydrophobicContact CD1-CZ2 3.96Å; I330-W334 HydrophobicContact CD1-CZ3 4.21Å; I330-W334 HydrophobicContact CG1-CH2 3.93Å; I330-W334 HydrophobicContact CG1-CZ3 4.09Å; I330-A397 WeakPolarHBondContact O-CB 3.39Å
331	A	85.3	Confident	69.5	Low	0 Å²	0	51 Å²	51	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	24.4	-176.3	0	0	0	0	0	113	Y333 W394 A397 Q398 N401	A331-Y333 HydrophobicContact CB-CD1 3.96Å; A331-Y333 HydrophobicContact CB-CE1 3.53Å; A331-Y333 WeakPolarHBondContact O-CD1 3.36Å; A331-Y333 PolarHBondContact O-N 3.03Å; A331-W394 PolarHBondContact O-NE1 3.01Å; A331-A397 HydrophobicContact CB-CB 3.8Å; A331-Q398 HydrophobicContact CB-CG 3.77Å; A331-N401 WeakPolarHBondContact CB-ND2 3.45Å
332	G	77.9	Confident	71	Confident	15 Å²	15	47.6 Å²	47.6	16%	0.155	24%	0.237	C	C	.	.	S	Bend	trans	79.7	-2.2	-167.3	0	0	0	0	0	114.3	T220 Q269	T220-G332 VanDerWaalsContact O-CA 3.25Å; T220-G332 WeakPolarHBondContact O-CA 3.29Å; T220-G332 PolarHBondContact O-N 3.26Å; Q269-G332 PolarHBondContact NE2-O 3.34Å
333	Y	80.2	Confident	72.7	Confident	12 Å²	12	43.1 Å²	43.1	5%	0.047	21%	0.213	C	C	.	.	S	Bend	trans	-146.6	167.9	172.4	70.6	-82.9	0	0	0	109.5	A331 D343 E346 Q398 N401	A331-Y333 HydrophobicContact CB-CD1 3.96Å; A331-Y333 HydrophobicContact CB-CE1 3.53Å; A331-Y333 WeakPolarHBondContact O-CD1 3.36Å; A331-Y333 PolarHBondContact O-N 3.03Å; Y333-D343 HydrophobicContact CD2-CB 4.02Å; Y333-E346 WeakPolarHBondContact CE1-O 3.45Å; Y333-E346 PolarHBondContact OH-O 2.8Å; Y333-Q398 HydrophobicContact CE1-CG 4.44Å; Y333-N401 VanDerWaalsContact CZ-ND2 3.26Å; Y333-N401 WeakPolarHBondContact OH-CB 3.39Å; Y333-N401 PolarHBondContact OH-ND2 3.4Å
334	W	72.8	Confident	74.3	Confident	47 Å²	47	40.7 Å²	40.7	18%	0.178	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-98.8	128.8	178.1	-65.9	100.2	0	0	0	111	C314 P316 T320 I330	C314-W334 WeakPolarHBondContact O-CZ3 3.27Å; P316-W334 HydrophobicContact CB-CB 4.36Å; P316-W334 HydrophobicContact CB-CD2 3.91Å; P316-W334 HydrophobicContact CB-CG 3.66Å; T320-W334 HydrophobicContact CG2-CZ2 4.34Å; I330-W334 HydrophobicContact CD1-CH2 3.53Å; I330-W334 HydrophobicContact CD1-CZ2 3.96Å; I330-W334 HydrophobicContact CD1-CZ3 4.21Å; I330-W334 HydrophobicContact CG1-CH2 3.93Å; I330-W334 HydrophobicContact CG1-CZ3 4.09Å
335	A	74.2	Confident	75.9	Confident	17 Å²	17	38.6 Å²	38.6	14%	0.14	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-64.3	173.7	171.7	0	0	0	0	0	111.6	T337 N401	A335-T337 PolarHBondContact O-N 3.39Å; A335-N401 HydrophobicContact CB-CB 4.13Å
336	R	73.8	Confident	77.4	Confident	83 Å²	83	37 Å²	37	31%	0.313	18%	0.182	S	C	.	.	P	Polyproline II helix	trans	-59.5	133.4	171.9	-175	174.2	-174	-162.6	3.1	110	W340 E341 D506	R336-W340 WeakPolarHBondContact CA-O 3.2Å; R336-E341 WeakPolarHBondContact CG-O 3.27Å; R336-D506 IonicContact NH1-OD2 3.82Å
337	T	73.6	Confident	78.8	Confident	14 Å²	14	35.2 Å²	35.2	9%	0.086	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-133.1	166.4	175.3	71	0	0	0	0	109.1	F94 A335 F339 W340	F94-T337 HydrophobicContact CD2-CG2 3.72Å; F94-T337 HydrophobicContact CE2-CG2 4.17Å; A335-T337 PolarHBondContact O-N 3.39Å; T337-F339 PolarHBondContact O-N 2.88Å; T337-F339 PolarHBondContact OG1-N 3.41Å; T337-W340 PolarHBondContact N-O 2.81Å; T337-W340 CarbonylContact O-C 3.53Å; T337-W340 PolarHBondContact O-N 2.97Å; T337-W340 VanDerWaalsContact O-N 3.14Å; T337-W340 PolarHBondContact OG1-N 2.76Å; T337-W340 VanDerWaalsContact OG1-N 3.08Å
338	P	73.3	Confident	80	Confident	91 Å²	91	35.2 Å²	35.2	59%	0.591	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-18.4	171.7	-26.7	35.8	0	0	0	114.1	F94	F94-P338 HydrophobicContact CD1-CG 4.01Å; F94-P338 HydrophobicContact CE1-CG 3.88Å; F94-P338 HydrophobicContact CG-CG 4.46Å; F94-P338 HydrophobicContact CZ-CG 4.17Å
339	F	73.3	Confident	80.9	Confident	152 Å²	152	35.1 Å²	35.1	67%	0.667	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.3	-9.4	-177.5	-49.3	-71.6	0	0	0	113.9	L315 T337	L315-F339 HydrophobicContact CD2-CD2 3.93Å; L315-F339 HydrophobicContact CD2-CE2 3.95Å; T337-F339 PolarHBondContact O-N 2.88Å; T337-F339 PolarHBondContact OG1-N 3.41Å
340	W	72.5	Confident	81.5	Confident	107 Å²	107	34.8 Å²	34.8	41%	0.405	17%	0.172	S	C	.	.	B	Isolated β-bridge	trans	-151	126.8	-173.1	-173.9	-106.1	0	0	0	110.6	R336 T337 G342	R336-W340 WeakPolarHBondContact CA-O 3.2Å; T337-W340 PolarHBondContact N-O 2.81Å; T337-W340 CarbonylContact O-C 3.53Å; T337-W340 PolarHBondContact O-N 2.97Å; T337-W340 VanDerWaalsContact O-N 3.14Å; T337-W340 PolarHBondContact OG1-N 2.76Å; T337-W340 VanDerWaalsContact OG1-N 3.08Å; W340-G342 VanDerWaalsContact CD1-N 3.25Å; W340-G342 PolarHBondContact O-N 3.43Å
341	E	74.3	Confident	82.1	Confident	119 Å²	119	34.8 Å²	34.8	56%	0.556	17%	0.172	S	C	*	.			trans	-65.3	-13.6	-174.6	-66.8	-176.2	162.1	0	0	114.1	R336 P510	R336-E341 WeakPolarHBondContact CG-O 3.27Å; E341-P510 WeakPolarHBondContact O-CG 3.5Å
342	G	78.1	Confident	82.6	Confident	11 Å²	11	34.8 Å²	34.8	11%	0.113	17%	0.172	C	C	.	.			trans	102.1	157.6	-177.1	0	0	0	0	0	111.6	W340	W340-G342 VanDerWaalsContact CD1-N 3.25Å; W340-G342 PolarHBondContact O-N 3.43Å
343	D	82.6	Confident	83.5	Confident	26 Å²	26	34 Å²	34	14%	0.139	17%	0.165	C	C	.	.			trans	-85.7	129.8	172.8	-169.6	-37.7	0	0	0	109.4	Q214 R271 Y333 C345 E346	Q214-D343 PolarHBondContact OE1-OD2 3.35Å; R271-D343 IonicContact CZ-OD2 2.84Å; R271-D343 VanDerWaalsContact CZ-OD2 3.28Å; R271-D343 IonicContact NH1-OD1 2.56Å; R271-D343 PolarHBondContact NH1-OD1 3.13Å; R271-D343 IonicContact NH1-OD2 3.39Å; R271-D343 PolarHBondContact NH1-OD2 3.3Å; R271-D343 IonicContact NH2-OD2 3.05Å; R271-D343 PolarHBondContact NH2-OD2 3.17Å; Y333-D343 HydrophobicContact CD2-CB 4.02Å; D343-C345 VanDerWaalsContact C-N 3.27Å; D343-C345 PolarHBondContact O-N 3.12Å; D343-C345 WeakPolarHBondContact OD1-CB 3.18Å; D343-C345 PolarHBondContact OD1-N 2.86Å; D343-E346 WeakPolarHBondContact O-CG 3.36Å
344	P	84.8	Confident	84.2	Confident	21 Å²	21	33.7 Å²	33.7	14%	0.136	16%	0.163	C	C	.	.	S	Bend	trans	-73.3	-15.6	179.8	34.2	-41.1	0	0	0	114.2	E346 P510 R511 L514	P344-E346 VanDerWaalsContact C-N 3.3Å; P344-E346 PolarHBondContact O-N 3.27Å; P344-P510 VanDerWaalsContact CB-O 3.3Å; P344-P510 WeakPolarHBondContact CB-O 3.4Å; P344-R511 WeakPolarHBondContact O-CA 3.44Å; P344-R511 VanDerWaalsContact O-CB 3.31Å; P344-R511 WeakPolarHBondContact O-CB 3.48Å; P344-L514 HydrophobicContact CB-CD1 3.43Å; P344-L514 VanDerWaalsContact CB-CD1 3.43Å; P344-L514 HydrophobicContact CB-CG 3.54Å; P344-L514 HydrophobicContact CG-CD1 3.59Å; P344-L514 HydrophobicContact CG-CD2 4.22Å; P344-L514 HydrophobicContact CG-CG 3.75Å
345	C	87.4	Confident	85.2	Confident	6 Å²	6	31.8 Å²	31.8	4%	0.041	16%	0.157	C	C	.	.			trans	-86.8	69.4	171.1	-70.1	0	0	0	0	110.6	S212 Q214 R271 G272 D343 F347	S212-C345 PolarHBondContact O-SG 2.84Å; S212-C345 VanDerWaalsContact O-SG 3.34Å; Q214-C345 HydrophobicContact CB-CB 4.05Å; R271-C345 HydrophobicContact CB-CB 3.94Å; R271-C345 PolarHBondContact NH1-O 3.2Å; G272-C345 CarbonylContact O-C 3.51Å; G272-C345 VanDerWaalsContact O-C 3.28Å; G272-C345 WeakPolarHBondContact O-CA 3.41Å; D343-C345 VanDerWaalsContact C-N 3.27Å; D343-C345 PolarHBondContact O-N 3.12Å; D343-C345 WeakPolarHBondContact OD1-CB 3.18Å; D343-C345 PolarHBondContact OD1-N 2.86Å; C345-F347 VanDerWaalsContact C-N 3.33Å; C345-F347 PolarHBondContact O-N 2.67Å
346	E	88.6	Confident	85.9	Confident	4 Å²	4	32.3 Å²	32.3	2%	0.019	16%	0.157	C	C	.	.			trans	-76.6	-11.9	-168.9	-60.8	174	-179.7	0	0	115	G272 Y333 D343 P344 Q402 R501 P510 R511	G272-E346 PolarHBondContact O-N 3.1Å; Y333-E346 WeakPolarHBondContact CE1-O 3.45Å; Y333-E346 PolarHBondContact OH-O 2.8Å; D343-E346 WeakPolarHBondContact O-CG 3.36Å; P344-E346 VanDerWaalsContact C-N 3.3Å; P344-E346 PolarHBondContact O-N 3.27Å; E346-Q402 PolarHBondContact OE2-NE2 3.47Å; E346-R501 IonicContact OE1-CZ 2.78Å; E346-R501 IonicContact OE1-NH2 3.34Å; E346-R501 PolarHBondContact OE1-NH2 3.03Å; E346-R501 IonicContact OE2-CZ 2.65Å; E346-R501 IonicContact OE2-NE 2.9Å; E346-R501 IonicContact OE2-NH2 3.04Å; E346-R501 PolarHBondContact OE2-NH2 2.8Å; E346-P510 WeakPolarHBondContact OE1-CB 3.5Å; E346-P510 WeakPolarHBondContact OE1-CD 3.33Å; E346-P510 VanDerWaalsContact OE1-CG 3.31Å; E346-P510 WeakPolarHBondContact OE1-CG 3.45Å; E346-R511 PolarHBondContact OE1-N 3.02Å; E346-R511 VanDerWaalsContact OE1-N 3.15Å
347	F	92.6	Very high	86.6	Confident	1 Å²	1	30.1 Å²	30.1	0%	0.004	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	130.6	-173.8	-60.5	-85.9	0	0	0	111.4	R271 G272 P273 F274 P275 C345 Q402 F414	R271-F347 CarbonylContact C-O 3.55Å; R271-F347 WeakPolarHBondContact CA-O 3.42Å; R271-F347 WeakPolarHBondContact CB-O 3.5Å; G272-F347 PolarHBondContact N-O 3.16Å; G272-F347 PolarHBondContact O-N 2.78Å; P273-F347 VanDerWaalsContact O-CD2 3.27Å; P273-F347 WeakPolarHBondContact O-CD2 3.48Å; P273-F347 WeakPolarHBondContact O-CE2 3.49Å; F274-F347 WeakPolarHBondContact O-CB 3.24Å; P275-F347 HydrophobicContact CB-CD1 3.6Å; P275-F347 HydrophobicContact CB-CE1 3.84Å; P275-F347 HydrophobicContact CB-CG 4.05Å; P275-F347 HydrophobicContact CG-CD1 4.39Å; P275-F347 HydrophobicContact CG-CE1 4.23Å; P275-F347 HydrophobicContact CG-CZ 4.47Å; C345-F347 VanDerWaalsContact C-N 3.33Å; C345-F347 PolarHBondContact O-N 2.67Å; F347-Q402 HydrophobicContact CE1-CG 4.16Å; F347-Q402 HydrophobicContact CZ-CG 4.2Å; F347-Q402 VanDerWaalsContact CZ-NE2 3.3Å; F347-F414 HydrophobicContact CD1-CE1 4.4Å; F347-F414 AromaticContact CE1-CE1 3.92Å; F347-F414 HydrophobicContact CE1-CE1 3.92Å
348	G	92.4	Very high	87.2	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	117	172.5	0	0	0	0	0	110.5	Q398	G348-Q398 VanDerWaalsContact N-CD 3.31Å
349	L	93.6	Very high	87.8	Confident	2 Å²	2	26.4 Å²	26.4	1%	0.01	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	-55.1	-177.2	-53.4	-179.9	0	0	0	110.6	L207 T213 L270 F274 L276 Q417 V491	L207-L349 HydrophobicContact CD1-CD1 4.32Å; T213-L349 HydrophobicContact CG2-CD1 4.45Å; L270-L349 HydrophobicContact CD2-CD1 4.49Å; L270-L349 HydrophobicContact CG-CB 4.49Å; L270-L349 HydrophobicContact CG-CD1 4.39Å; L270-L349 PolarHBondContact O-N 2.86Å; F274-L349 WeakPolarHBondContact O-CD2 3.38Å; L276-L349 WeakPolarHBondContact CD1-O 3.38Å; L276-L349 HydrophobicContact CD2-CB 4.24Å; L276-L349 HydrophobicContact CD2-CD2 3.79Å; L276-L349 HydrophobicContact CG-CD2 4.05Å; L349-Q417 PolarHBondContact O-N 3.07Å; L349-V491 HydrophobicContact CD2-CG1 3.91Å
350	L	95.3	Very high	88.2	Confident	2 Å²	2	22 Å²	22	1%	0.01	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	118.9	-176.5	-178.7	62.1	0	0	0	110.2	M192 W268 Q269 L270 Q417 I419 A486 M487	M192-L350 HydrophobicContact CE-CD2 3.89Å; W268-L350 HydrophobicContact CZ3-CD2 4.4Å; W268-L350 HydrophobicContact CZ3-CG 4.4Å; Q269-L350 CarbonylContact C-O 3.53Å; Q269-L350 WeakPolarHBondContact CA-O 3.38Å; L270-L350 HydrophobicContact CB-CB 4.21Å; L270-L350 PolarHBondContact N-O 2.89Å; L270-L350 PolarHBondContact O-N 3.2Å; L350-Q417 WeakPolarHBondContact CA-O 3.43Å; L350-Q417 HydrophobicContact CD1-CB 3.87Å; L350-I419 HydrophobicContact CD1-CD1 3.97Å; L350-I419 HydrophobicContact CD1-CG1 3.98Å; L350-I419 HydrophobicContact CD2-CD1 3.92Å; L350-I419 HydrophobicContact CG-CD1 4.23Å; L350-A486 HydrophobicContact CD1-CB 3.96Å; L350-A486 HydrophobicContact CD2-CB 4.16Å; L350-M487 HydrophobicContact CD2-CG 4.44Å; L350-M487 HydrophobicContact CD2-SD 3.68Å
351	G	96.5	Very high	88.9	Confident	0 Å²	0	17 Å²	17	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	157.8	173.2	0	0	0	0	0	111.5	W268 Q417 L418 I419	W268-G351 CarbonylContact O-C 3.28Å; W268-G351 WeakPolarHBondContact O-CA 3.37Å; G351-Q417 PolarHBondContact N-O 3.42Å; G351-L418 CarbonylContact O-C 3.58Å; G351-L418 VanDerWaalsContact O-CA 3.32Å; G351-L418 WeakPolarHBondContact O-CA 3.44Å; G351-I419 PolarHBondContact O-N 3.13Å
352	V	97.3	Very high	89.5	Confident	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	125.1	168.5	-175.4	0	0	0	0	110	I188 M192 A267 W268 I419 M421	I188-V352 HydrophobicContact CG2-CB 4.07Å; I188-V352 HydrophobicContact CG2-CG1 3.55Å; M192-V352 HydrophobicContact CE-CG2 4Å; M192-V352 HydrophobicContact CG-CG2 3.66Å; M192-V352 HydrophobicContact SD-CG2 3.82Å; A267-V352 PolarHBondContact N-O 2.79Å; W268-V352 HydrophobicContact CB-CB 4.21Å; W268-V352 HydrophobicContact CB-CG2 4.3Å; W268-V352 HydrophobicContact CE3-CG2 4.01Å; W268-V352 PolarHBondContact O-N 3.48Å; V352-I419 WeakPolarHBondContact CA-O 3.16Å; V352-I419 HydrophobicContact CG2-CB 4.19Å; V352-I419 HydrophobicContact CG2-CD1 4.38Å; V352-M421 HydrophobicContact CG1-CB 4.11Å; V352-M421 HydrophobicContact CG1-CE 4.18Å; V352-M421 HydrophobicContact CG1-CG 3.59Å; V352-M421 HydrophobicContact CG1-SD 3.77Å
353	L	96	Very high	89.9	Confident	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	121	176.6	-170.7	63.9	0	0	0	109.6	L355 E386 T390 I419 L420 M421	L353-L355 HydrophobicContact CD2-CD2 3.91Å; L353-L355 HydrophobicContact CG-CD2 4.16Å; L353-L355 PolarHBondContact O-N 3.41Å; L353-E386 HydrophobicContact CD2-CB 3.92Å; L353-T390 HydrophobicContact CD1-CG2 4.26Å; L353-I419 PolarHBondContact N-O 3.34Å; L353-L420 HydrophobicContact CB-CD2 4.07Å; L353-L420 HydrophobicContact CD2-CD2 4Å; L353-M421 PolarHBondContact O-N 2.8Å
354	D	94.7	Very high	90.1	Very high	4 Å²	4	21.5 Å²	21.5	2%	0.021	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	103.5	172.2	-178.9	17.3	0	0	0	109.9	R184 I188 A267 N356 R357	R184-D354 IonicContact CZ-OD2 2.69Å; R184-D354 IonicContact NE-OD1 2.86Å; R184-D354 IonicContact NE-OD2 3.34Å; R184-D354 PolarHBondContact NE-OD2 3.31Å; I188-D354 HydrophobicContact CD1-CB 3.64Å; A267-D354 HydrophobicContact CB-CB 4.31Å; D354-N356 VanDerWaalsContact C-N 3.27Å; D354-N356 PolarHBondContact O-N 2.86Å; D354-N356 WeakPolarHBondContact OD1-CB 3.38Å; D354-N356 PolarHBondContact OD1-N 3.18Å; D354-R357 HydrophobicContact CB-CG 4.04Å; D354-R357 WeakPolarHBondContact O-CG 3.29Å; D354-R357 PolarHBondContact O-N 2.83Å; D354-R357 PolarHBondContact O-NE 3.41Å; D354-R357 WeakPolarHBondContact OD2-CG 3.21Å
355	L	93.4	Very high	90.3	Very high	8 Å²	8	21 Å²	21	4%	0.042	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-76.2	-13.7	177.8	-63.6	-176.1	0	0	0	112.9	L353 R357 E386 L420 M421 D422	L353-L355 HydrophobicContact CD2-CD2 3.91Å; L353-L355 HydrophobicContact CG-CD2 4.16Å; L353-L355 PolarHBondContact O-N 3.41Å; L355-R357 PolarHBondContact O-N 2.91Å; L355-E386 HydrophobicContact CD2-CB 4.09Å; L355-E386 WeakPolarHBondContact CD2-OE2 3.38Å; L355-L420 HydrophobicContact CD1-CB 3.82Å; L355-L420 HydrophobicContact CG-CB 4.29Å; L355-M421 PolarHBondContact N-O 3.07Å; L355-D422 HydrophobicContact CB-CB 4.29Å; L355-D422 HydrophobicContact CD1-CB 4.21Å
356	N	89.9	Confident	90.3	Very high	27 Å²	27	24 Å²	24	14%	0.144	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-78.9	0.7	175.1	-73.3	-63	0	0	0	113.1	R184 D354 S358 E359 R362 D422 G423	R184-N356 PolarHBondContact NH2-O 3.42Å; D354-N356 VanDerWaalsContact C-N 3.27Å; D354-N356 PolarHBondContact O-N 2.86Å; D354-N356 WeakPolarHBondContact OD1-CB 3.38Å; D354-N356 PolarHBondContact OD1-N 3.18Å; N356-S358 PolarHBondContact O-N 3.31Å; N356-E359 WeakPolarHBondContact O-CG 3.24Å; N356-R362 PolarHBondContact OD1-NE 3.48Å; N356-R362 PolarHBondContact OD1-NH2 2.73Å; N356-D422 PolarHBondContact OD1-OD1 3.43Å; N356-G423 WeakPolarHBondContact ND2-CA 3.41Å; N356-G423 PolarHBondContact ND2-N 2.91Å
357	R	87.3	Confident	90.2	Very high	38 Å²	38	29.1 Å²	29.1	14%	0.143	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-67.9	-25.9	171.6	-66.5	-174	-59.2	-176.4	1.2	112.3	P115 E265 D354 L355 E359	P115-R357 HydrophobicContact CB-CB 4.1Å; P115-R357 HydrophobicContact CG-CB 4.06Å; E265-R357 VanDerWaalsContact O-CZ 3.22Å; E265-R357 PolarHBondContact O-NH1 2.94Å; E265-R357 PolarHBondContact O-NH2 3.18Å; D354-R357 HydrophobicContact CB-CG 4.04Å; D354-R357 WeakPolarHBondContact O-CG 3.29Å; D354-R357 PolarHBondContact O-N 2.83Å; D354-R357 PolarHBondContact O-NE 3.41Å; D354-R357 WeakPolarHBondContact OD2-CG 3.21Å; L355-R357 PolarHBondContact O-N 2.91Å; R357-E359 PolarHBondContact O-N 3.22Å
358	S	86.9	Confident	90.1	Very high	3 Å²	3	30.6 Å²	30.6	2%	0.021	17%	0.172	C	C	.	.			trans	-80.2	48.3	177.6	-30.1	0	0	0	0	110.4	P115 N356 C360 V361 R362 E386	P115-S358 WeakPolarHBondContact CB-OG 3.11Å; N356-S358 PolarHBondContact O-N 3.31Å; S358-C360 VanDerWaalsContact C-N 3.27Å; S358-C360 PolarHBondContact O-N 2.66Å; S358-V361 PolarHBondContact O-N 3.15Å; S358-R362 VanDerWaalsContact O-CG 3.25Å; S358-R362 WeakPolarHBondContact O-CG 3.27Å; S358-R362 PolarHBondContact O-N 3.13Å; S358-R362 VanDerWaalsContact O-N 3.07Å; S358-E386 PolarHBondContact OG-OE1 3Å
359	E	85.2	Confident	90	Very high	24 Å²	24	42.9 Å²	42.9	11%	0.112	22%	0.218	C	C	.	.	H	α-helix	trans	-57.9	-39	-174	-66.5	-172.4	-158.3	0	0	111.7	L177 R180 R184 N356 R357 R362 N363	L177-E359 HydrophobicContact CD2-CB 4.24Å; L177-E359 HydrophobicContact CD2-CG 4.34Å; L177-E359 WeakPolarHBondContact CD2-OE2 3.11Å; R180-E359 IonicContact CZ-OE2 2.83Å; R180-E359 VanDerWaalsContact CZ-OE2 3.27Å; R180-E359 IonicContact NE-OE1 2.95Å; R180-E359 PolarHBondContact NE-OE1 2.95Å; R180-E359 IonicContact NE-OE2 3.5Å; R180-E359 PolarHBondContact NE-OE2 2.76Å; R180-E359 IonicContact NH2-OE2 3.18Å; R180-E359 PolarHBondContact NH2-OE2 2.64Å; R184-E359 IonicContact CZ-OE1 2.72Å; R184-E359 VanDerWaalsContact CZ-OE1 3.24Å; R184-E359 IonicContact NH1-OE1 3.07Å; R184-E359 PolarHBondContact NH1-OE1 3.33Å; R184-E359 IonicContact NH2-OE1 2.8Å; R184-E359 PolarHBondContact NH2-OE1 3.25Å; N356-E359 WeakPolarHBondContact O-CG 3.24Å; R357-E359 PolarHBondContact O-N 3.22Å; E359-R362 PolarHBondContact O-N 3.42Å; E359-N363 VanDerWaalsContact O-CB 3.31Å; E359-N363 WeakPolarHBondContact O-CB 3.48Å; E359-N363 PolarHBondContact O-N 3.34Å; E359-N363 PolarHBondContact O-ND2 3.5Å; E359-N363 VanDerWaalsContact O-ND2 3.08Å
360	C	83.2	Confident	89.9	Confident	59 Å²	59	46.3 Å²	46.3	40%	0.399	24%	0.236	S	C	.	.	H	α-helix	trans	-59.6	-57.3	179.3	-58.4	0	0	0	0	111.5	S358 R362 N363 E364	S358-C360 VanDerWaalsContact C-N 3.27Å; S358-C360 PolarHBondContact O-N 2.66Å; C360-R362 VanDerWaalsContact C-N 3.28Å; C360-R362 PolarHBondContact O-N 2.97Å; C360-N363 PolarHBondContact O-N 3.21Å; C360-N363 VanDerWaalsContact O-N 3.13Å; C360-E364 WeakPolarHBondContact O-CG 3.1Å; C360-E364 PolarHBondContact O-N 2.94Å
361	V	86.9	Confident	89.8	Confident	3 Å²	3	49.8 Å²	49.8	2%	0.018	26%	0.259	C	S	.	.	H	α-helix	trans	-57	-42.9	178.6	-177.3	0	0	0	0	111.2	L116 Q117 S358 E364 I365	L116-V361 WeakPolarHBondContact O-CG2 3.42Å; Q117-V361 VanDerWaalsContact C-CG2 3.47Å; Q117-V361 WeakPolarHBondContact O-CG2 3.34Å; S358-V361 PolarHBondContact O-N 3.15Å; V361-E364 PolarHBondContact O-N 3.37Å; V361-I365 HydrophobicContact CG1-CD1 3.85Å; V361-I365 HydrophobicContact CG1-CG1 4.5Å; V361-I365 VanDerWaalsContact O-CG1 3.28Å; V361-I365 WeakPolarHBondContact O-CG1 3.45Å; V361-I365 PolarHBondContact O-N 3.1Å
362	R	87.2	Confident	89.5	Confident	49 Å²	49	55.3 Å²	55.3	19%	0.185	29%	0.288	C	S	.	.	H	α-helix	trans	-66	-41	179.4	-67.9	178.1	69.6	84.9	-2.5	112.2	N356 S358 E359 C360 E364 I365 S366 L379 D422	N356-R362 PolarHBondContact OD1-NE 3.48Å; N356-R362 PolarHBondContact OD1-NH2 2.73Å; S358-R362 VanDerWaalsContact O-CG 3.25Å; S358-R362 WeakPolarHBondContact O-CG 3.27Å; S358-R362 PolarHBondContact O-N 3.13Å; S358-R362 VanDerWaalsContact O-N 3.07Å; E359-R362 PolarHBondContact O-N 3.42Å; C360-R362 VanDerWaalsContact C-N 3.28Å; C360-R362 PolarHBondContact O-N 2.97Å; R362-E364 VanDerWaalsContact C-N 3.35Å; R362-I365 PolarHBondContact O-N 3.25Å; R362-S366 VanDerWaalsContact O-CB 3.31Å; R362-S366 WeakPolarHBondContact O-CB 3.24Å; R362-S366 PolarHBondContact O-N 3.13Å; R362-S366 PolarHBondContact O-OG 3.11Å; R362-L379 HydrophobicContact CG-CD2 3.96Å; R362-D422 IonicContact CZ-OD1 3.47Å; R362-D422 IonicContact CZ-OD2 3.03Å; R362-D422 IonicContact NE-OD1 2.67Å; R362-D422 IonicContact NH1-OD1 3.2Å; R362-D422 PolarHBondContact NH1-OD1 3.4Å; R362-D422 IonicContact NH1-OD2 3.59Å; R362-D422 PolarHBondContact NH1-OD2 3.08Å; R362-D422 VanDerWaalsContact NH2-CG 3.34Å; R362-D422 IonicContact NH2-OD1 2.8Å; R362-D422 PolarHBondContact NH2-OD1 3.45Å; R362-D422 IonicContact NH2-OD2 3.7Å; R362-D422 PolarHBondContact NH2-OD2 3.4Å
363	N	86.4	Confident	89.3	Confident	70 Å²	70	60.9 Å²	60.9	37%	0.374	32%	0.318	S	S	.	.	H	α-helix	trans	-63.5	-43.2	176	-70.6	-24.9	0	0	0	110.6	E359 C360 S366 C367	E359-N363 VanDerWaalsContact O-CB 3.31Å; E359-N363 WeakPolarHBondContact O-CB 3.48Å; E359-N363 PolarHBondContact O-N 3.34Å; E359-N363 PolarHBondContact O-ND2 3.5Å; E359-N363 VanDerWaalsContact O-ND2 3.08Å; C360-N363 PolarHBondContact O-N 3.21Å; C360-N363 VanDerWaalsContact O-N 3.13Å; N363-S366 WeakPolarHBondContact CA-OG 3.34Å; N363-S366 PolarHBondContact O-N 3.37Å; N363-S366 PolarHBondContact O-OG 2.73Å; N363-C367 WeakPolarHBondContact O-CB 3.4Å; N363-C367 PolarHBondContact O-N 2.8Å; N363-C367 PolarHBondContact O-SG 2.88Å; N363-C367 VanDerWaalsContact O-SG 3.34Å
364	E	87.3	Confident	89.1	Confident	130 Å²	130	63.7 Å²	63.7	61%	0.607	34%	0.335	S	S	*	.	H	α-helix	trans	-60.3	-48.6	175.8	-71.8	172.4	-169.2	0	0	112.2	C360 V361 R362 S366 C367 S368	C360-E364 WeakPolarHBondContact O-CG 3.1Å; C360-E364 PolarHBondContact O-N 2.94Å; V361-E364 PolarHBondContact O-N 3.37Å; R362-E364 VanDerWaalsContact C-N 3.35Å; E364-S366 VanDerWaalsContact C-N 3.3Å; E364-S366 PolarHBondContact O-N 2.76Å; E364-C367 PolarHBondContact O-N 3.32Å; E364-S368 PolarHBondContact O-N 2.76Å
365	I	88.9	Confident	89	Confident	12 Å²	12	64.9 Å²	64.9	6%	0.062	34%	0.34	C	S	.	.	H	α-helix	trans	-60.2	-42.9	175.6	-66.1	164.6	0	0	0	110.3	V361 R362 C367 S368 K375 I378 L379	V361-I365 HydrophobicContact CG1-CD1 3.85Å; V361-I365 HydrophobicContact CG1-CG1 4.5Å; V361-I365 VanDerWaalsContact O-CG1 3.28Å; V361-I365 WeakPolarHBondContact O-CG1 3.45Å; V361-I365 PolarHBondContact O-N 3.1Å; R362-I365 PolarHBondContact O-N 3.25Å; I365-C367 VanDerWaalsContact C-N 3.35Å; I365-C367 PolarHBondContact O-N 2.89Å; I365-S368 WeakPolarHBondContact O-CB 3.34Å; I365-S368 PolarHBondContact O-N 3.05Å; I365-S368 PolarHBondContact O-OG 3.49Å; I365-K375 HydrophobicContact CG2-CB 3.86Å; I365-K375 HydrophobicContact CG2-CD 4.49Å; I365-K375 HydrophobicContact CG2-CG 3.92Å; I365-K375 WeakPolarHBondContact O-CE 3.31Å; I365-I378 HydrophobicContact CD1-CG2 3.64Å; I365-I378 HydrophobicContact CG1-CG2 4.23Å; I365-L379 HydrophobicContact CD1-CD2 3.59Å; I365-L379 HydrophobicContact CD1-CG 4.27Å; I365-L379 HydrophobicContact CG2-CD2 4.49Å; I365-L379 HydrophobicContact CG2-CG 4.36Å
366	S	85.9	Confident	88.9	Confident	69 Å²	69	68.1 Å²	68.1	48%	0.483	36%	0.357	S	S	.	.	H	α-helix	trans	-62.6	-41	-179.4	77.2	0	0	0	0	112.4	R362 N363 E364 S368 K375	R362-S366 VanDerWaalsContact O-CB 3.31Å; R362-S366 WeakPolarHBondContact O-CB 3.24Å; R362-S366 PolarHBondContact O-N 3.13Å; R362-S366 PolarHBondContact O-OG 3.11Å; N363-S366 WeakPolarHBondContact CA-OG 3.34Å; N363-S366 PolarHBondContact O-N 3.37Å; N363-S366 PolarHBondContact O-OG 2.73Å; E364-S366 VanDerWaalsContact C-N 3.3Å; E364-S366 PolarHBondContact O-N 2.76Å; S366-S368 VanDerWaalsContact C-N 3.31Å; S366-S368 PolarHBondContact O-N 3.46Å; S366-K375 PolarHBondContact O-NZ 2.94Å
367	C	87	Confident	89	Confident	110 Å²	110	71.1 Å²	71.1	74%	0.743	37%	0.373	S	S	*	.	H	α-helix	trans	-77.3	-14	178.7	-69.9	0	0	0	0	113.6	N363 E364 I365	N363-C367 WeakPolarHBondContact O-CB 3.4Å; N363-C367 PolarHBondContact O-N 2.8Å; N363-C367 PolarHBondContact O-SG 2.88Å; N363-C367 VanDerWaalsContact O-SG 3.34Å; E364-C367 PolarHBondContact O-N 3.32Å; I365-C367 VanDerWaalsContact C-N 3.35Å; I365-C367 PolarHBondContact O-N 2.89Å
368	S	89.9	Confident	89.3	Confident	33 Å²	33	70.4 Å²	70.4	23%	0.231	37%	0.372	C	S	.	.	S	Bend	trans	-65.1	154.4	177.8	77.4	0	0	0	0	112	E364 I365 S366 L370 K375	E364-S368 PolarHBondContact O-N 2.76Å; I365-S368 WeakPolarHBondContact O-CB 3.34Å; I365-S368 PolarHBondContact O-N 3.05Å; I365-S368 PolarHBondContact O-OG 3.49Å; S366-S368 VanDerWaalsContact C-N 3.31Å; S366-S368 PolarHBondContact O-N 3.46Å; S368-L370 PolarHBondContact O-N 2.84Å; S368-K375 WeakPolarHBondContact O-CE 3.36Å; S368-K375 PolarHBondContact O-NZ 3.45Å; S368-K375 VanDerWaalsContact OG-CE 3.22Å; S368-K375 WeakPolarHBondContact OG-CE 3.5Å
369	R	91.9	Very high	89.5	Confident	257 Å²	257	71.4 Å²	71.4	97%	0.97	38%	0.377	S	S	*	.			trans	-81.4	9.2	176.6	-63.5	-176.9	-178.5	175.9	1.1	113.5
370	L	91	Very high	89.9	Confident	75 Å²	75	72.6 Å²	72.6	39%	0.393	38%	0.384	S	S	.	.	S	Bend	trans	-68.2	148.2	-177.7	-63.6	173.8	0	0	0	111.1	S368 V374 K375 I378	S368-L370 PolarHBondContact O-N 2.84Å; L370-V374 HydrophobicContact CB-CG1 4.48Å; L370-V374 HydrophobicContact CD1-CG1 4.33Å; L370-K375 HydrophobicContact CB-CG 3.94Å; L370-K375 WeakPolarHBondContact O-CE 3.33Å; L370-I378 HydrophobicContact CD1-CD1 3.65Å
371	P	93	Very high	90.5	Very high	75 Å²	75	72.7 Å²	72.7	49%	0.487	38%	0.376	S	S	.	.			trans	-57.7	146.6	169.1	-27	37.6	0	0	0	112.3	N373 V374 K375	P371-N373 VanDerWaalsContact C-N 3.27Å; P371-N373 WeakPolarHBondContact CB-OD1 3.19Å; P371-N373 PolarHBondContact O-N 2.54Å; P371-V374 HydrophobicContact CB-CG2 4.24Å; P371-V374 HydrophobicContact CG-CG2 4.41Å; P371-V374 WeakPolarHBondContact O-CB 3.46Å; P371-V374 PolarHBondContact O-N 3.05Å; P371-K375 PolarHBondContact O-N 3.16Å
372	D	90.9	Very high	90.8	Very high	116 Å²	116	72.8 Å²	72.8	62%	0.62	38%	0.376	S	S	*	.	H	α-helix	trans	-61.7	-32	-174.3	-67.7	-31.6	0	0	0	113.7	V374 K375 N376	D372-V374 VanDerWaalsContact C-N 3.34Å; D372-K375 PolarHBondContact O-N 2.88Å; D372-N376 WeakPolarHBondContact O-CB 3.42Å; D372-N376 VanDerWaalsContact O-CG 3.29Å; D372-N376 PolarHBondContact O-N 3.09Å; D372-N376 PolarHBondContact O-ND2 2.97Å
373	N	91.6	Very high	91.2	Very high	116 Å²	116	70.5 Å²	70.5	62%	0.62	37%	0.368	S	S	*	.	H	α-helix	trans	-64.1	-39.6	174.1	62.7	-26.7	0	0	0	111.8	P371 N377	P371-N373 VanDerWaalsContact C-N 3.27Å; P371-N373 WeakPolarHBondContact CB-OD1 3.19Å; P371-N373 PolarHBondContact O-N 2.54Å; N373-N377 PolarHBondContact O-N 3.37Å; N373-N377 VanDerWaalsContact O-N 3.08Å
374	V	92.9	Very high	91.7	Very high	59 Å²	59	67.3 Å²	67.3	36%	0.358	35%	0.351	S	S	.	.	H	α-helix	trans	-68.4	-46.5	176	179.9	0	0	0	0	109.9	L370 P371 D372 N376 N377 I378	L370-V374 HydrophobicContact CB-CG1 4.48Å; L370-V374 HydrophobicContact CD1-CG1 4.33Å; P371-V374 HydrophobicContact CB-CG2 4.24Å; P371-V374 HydrophobicContact CG-CG2 4.41Å; P371-V374 WeakPolarHBondContact O-CB 3.46Å; P371-V374 PolarHBondContact O-N 3.05Å; D372-V374 VanDerWaalsContact C-N 3.34Å; V374-N376 VanDerWaalsContact C-N 3.3Å; V374-N376 PolarHBondContact O-N 3.31Å; V374-N377 PolarHBondContact O-N 3.07Å; V374-N377 VanDerWaalsContact O-N 3.12Å; V374-I378 HydrophobicContact CG1-CD1 3.96Å; V374-I378 HydrophobicContact CG1-CG1 4.45Å; V374-I378 WeakPolarHBondContact O-CG1 3.17Å; V374-I378 PolarHBondContact O-N 2.91Å
375	K	92	Very high	92.1	Very high	30 Å²	30	61.1 Å²	61.1	13%	0.13	32%	0.322	C	S	.	.	H	α-helix	trans	-54.7	-46.4	175.1	-68.7	179.9	175.1	175.7	0	111.8	I365 S366 S368 L370 P371 D372 N377 I378 L379	I365-K375 HydrophobicContact CG2-CB 3.86Å; I365-K375 HydrophobicContact CG2-CD 4.49Å; I365-K375 HydrophobicContact CG2-CG 3.92Å; I365-K375 WeakPolarHBondContact O-CE 3.31Å; S366-K375 PolarHBondContact O-NZ 2.94Å; S368-K375 WeakPolarHBondContact O-CE 3.36Å; S368-K375 PolarHBondContact O-NZ 3.45Å; S368-K375 VanDerWaalsContact OG-CE 3.22Å; S368-K375 WeakPolarHBondContact OG-CE 3.5Å; L370-K375 HydrophobicContact CB-CG 3.94Å; L370-K375 WeakPolarHBondContact O-CE 3.33Å; P371-K375 PolarHBondContact O-N 3.16Å; D372-K375 PolarHBondContact O-N 2.88Å; K375-N377 PolarHBondContact O-N 3.47Å; K375-I378 PolarHBondContact O-N 2.9Å; K375-L379 WeakPolarHBondContact O-CG 3.5Å; K375-L379 PolarHBondContact O-N 3.45Å
376	N	90.8	Very high	92.5	Very high	75 Å²	75	60.6 Å²	60.6	40%	0.401	32%	0.319	S	S	.	.	H	α-helix	trans	-63.5	-39.6	178.4	-78.1	-33.6	0	0	0	112.5	D372 V374 L379 I380	D372-N376 WeakPolarHBondContact O-CB 3.42Å; D372-N376 VanDerWaalsContact O-CG 3.29Å; D372-N376 PolarHBondContact O-N 3.09Å; D372-N376 PolarHBondContact O-ND2 2.97Å; V374-N376 VanDerWaalsContact C-N 3.3Å; V374-N376 PolarHBondContact O-N 3.31Å; N376-L379 PolarHBondContact O-N 3.01Å; N376-I380 WeakPolarHBondContact O-CD1 3.49Å; N376-I380 VanDerWaalsContact O-CG1 3.25Å; N376-I380 WeakPolarHBondContact O-CG1 3.25Å; N376-I380 PolarHBondContact O-N 2.69Å
377	N	93.2	Very high	93	Very high	90 Å²	90	57.3 Å²	57.3	48%	0.481	30%	0.296	S	S	.	.	H	α-helix	trans	-63.6	-46.6	176.3	-169.4	-2.6	0	0	0	111.3	N373 V374 K375 L379 I380 R381	N373-N377 PolarHBondContact O-N 3.37Å; N373-N377 VanDerWaalsContact O-N 3.08Å; V374-N377 PolarHBondContact O-N 3.07Å; V374-N377 VanDerWaalsContact O-N 3.12Å; K375-N377 PolarHBondContact O-N 3.47Å; N377-L379 VanDerWaalsContact C-N 3.31Å; N377-L379 PolarHBondContact O-N 2.93Å; N377-I380 PolarHBondContact O-N 2.85Å; N377-I380 VanDerWaalsContact O-N 3.13Å; N377-R381 WeakPolarHBondContact O-CG 3.33Å; N377-R381 PolarHBondContact O-N 3.2Å; N377-R381 WeakPolarHBondContact OD1-CD 3.48Å
378	I	93	Very high	93.5	Very high	23 Å²	23	52 Å²	52	12%	0.118	26%	0.261	C	S	.	.	H	α-helix	trans	-56.9	-46.1	175.8	-63.8	167.3	0	0	0	110.4	I365 L370 V374 K375 I380 R381 H382	I365-I378 HydrophobicContact CD1-CG2 3.64Å; I365-I378 HydrophobicContact CG1-CG2 4.23Å; L370-I378 HydrophobicContact CD1-CD1 3.65Å; V374-I378 HydrophobicContact CG1-CD1 3.96Å; V374-I378 HydrophobicContact CG1-CG1 4.45Å; V374-I378 WeakPolarHBondContact O-CG1 3.17Å; V374-I378 PolarHBondContact O-N 2.91Å; K375-I378 PolarHBondContact O-N 2.9Å; I378-I380 VanDerWaalsContact C-N 3.33Å; I378-I380 PolarHBondContact O-N 2.71Å; I378-R381 PolarHBondContact O-N 2.62Å; I378-H382 VanDerWaalsContact O-CB 3.29Å; I378-H382 WeakPolarHBondContact O-CB 3.49Å; I378-H382 PolarHBondContact O-N 3.12Å
379	L	91.9	Very high	93.9	Very high	24 Å²	24	50.5 Å²	50.5	13%	0.126	25%	0.25	C	C	.	.	H	α-helix	trans	-63.5	-36.6	178.2	-70.6	175.2	0	0	0	113.2	R362 I365 K375 N376 N377 G383	R362-L379 HydrophobicContact CG-CD2 3.96Å; I365-L379 HydrophobicContact CD1-CD2 3.59Å; I365-L379 HydrophobicContact CD1-CG 4.27Å; I365-L379 HydrophobicContact CG2-CD2 4.49Å; I365-L379 HydrophobicContact CG2-CG 4.36Å; K375-L379 WeakPolarHBondContact O-CG 3.5Å; K375-L379 PolarHBondContact O-N 3.45Å; N376-L379 PolarHBondContact O-N 3.01Å; N377-L379 VanDerWaalsContact C-N 3.31Å; N377-L379 PolarHBondContact O-N 2.93Å; L379-G383 PolarHBondContact O-N 2.87Å
380	I	93.4	Very high	94.1	Very high	50 Å²	50	38.2 Å²	38.2	26%	0.256	20%	0.203	S	C	.	.	H	α-helix	trans	-66.6	-47.8	175.1	-69.8	163.9	0	0	0	109.9	N376 N377 I378 H382 G383 I384 R457	N376-I380 WeakPolarHBondContact O-CD1 3.49Å; N376-I380 VanDerWaalsContact O-CG1 3.25Å; N376-I380 WeakPolarHBondContact O-CG1 3.25Å; N376-I380 PolarHBondContact O-N 2.69Å; N377-I380 PolarHBondContact O-N 2.85Å; N377-I380 VanDerWaalsContact O-N 3.13Å; I378-I380 VanDerWaalsContact C-N 3.33Å; I378-I380 PolarHBondContact O-N 2.71Å; I380-H382 PolarHBondContact O-N 2.77Å; I380-G383 PolarHBondContact O-N 2.92Å; I380-I384 HydrophobicContact CG2-CD1 3.77Å; I380-I384 HydrophobicContact CG2-CG1 4.46Å; I380-I384 VanDerWaalsContact O-CG1 3.29Å; I380-I384 WeakPolarHBondContact O-CG1 2.92Å; I380-I384 PolarHBondContact O-N 3.35Å; I380-R457 HydrophobicContact CG1-CB 4.5Å
381	R	94.7	Very high	94.4	Very high	60 Å²	60	34.7 Å²	34.7	23%	0.226	19%	0.185	C	C	.	.	H	α-helix	trans	-60.5	-44.4	178.2	-71.8	170.7	56.2	78.6	3.6	111.7	E120 L122 E123 N377 I378 I384 A385	E120-R381 IonicContact OE1-NE 3.35Å; E120-R381 IonicContact OE2-CZ 2.89Å; E120-R381 VanDerWaalsContact OE2-CZ 3.26Å; E120-R381 IonicContact OE2-NE 3.99Å; E120-R381 PolarHBondContact OE2-NE 3.3Å; E120-R381 IonicContact OE2-NH2 3.07Å; E120-R381 PolarHBondContact OE2-NH2 3Å; L122-R381 HydrophobicContact CD2-CB 4.24Å; L122-R381 HydrophobicContact CD2-CG 4.15Å; E123-R381 IonicContact OE1-CZ 3.18Å; E123-R381 IonicContact OE1-NH1 3.95Å; E123-R381 PolarHBondContact OE1-NH1 2.86Å; E123-R381 IonicContact OE1-NH2 2.7Å; E123-R381 PolarHBondContact OE1-NH2 2.99Å; E123-R381 IonicContact OE2-CZ 3.48Å; E123-R381 IonicContact OE2-NH2 3.04Å; E123-R381 PolarHBondContact OE2-NH2 2.8Å; N377-R381 WeakPolarHBondContact O-CG 3.33Å; N377-R381 PolarHBondContact O-N 3.2Å; N377-R381 WeakPolarHBondContact OD1-CD 3.48Å; I378-R381 PolarHBondContact O-N 2.62Å; R381-I384 PolarHBondContact O-N 3.28Å; R381-A385 PolarHBondContact O-N 2.72Å
382	H	94.5	Very high	94.6	Very high	5 Å²	5	31.1 Å²	31.1	2%	0.023	16%	0.161	C	C	.	.	H	α-helix	trans	-57	-49.6	173.4	-177.2	85.2	0	0	0	111.8	H118 S119 I378 I380 I384 A385 E386	H118-H382 PolarHBondContact O-ND1 3.47Å; S119-H382 WeakPolarHBondContact CA-ND1 3.45Å; I378-H382 VanDerWaalsContact O-CB 3.29Å; I378-H382 WeakPolarHBondContact O-CB 3.49Å; I378-H382 PolarHBondContact O-N 3.12Å; I380-H382 PolarHBondContact O-N 2.77Å; H382-I384 VanDerWaalsContact C-N 3.33Å; H382-I384 PolarHBondContact O-N 2.97Å; H382-A385 WeakPolarHBondContact O-CB 3.43Å; H382-A385 PolarHBondContact O-N 2.93Å; H382-E386 IonicContact CD2-OE1 2.72Å; H382-E386 IonicContact CE1-OE1 2.87Å; H382-E386 IonicContact NE2-OE1 3.26Å; H382-E386 PolarHBondContact NE2-OE1 2.88Å; H382-E386 PolarHBondContact O-N 2.88Å
383	G	95.3	Very high	94.8	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.01	13%	0.132	C	C	.	.	H	α-helix	trans	-61.7	-39.6	178.7	0	0	0	0	0	113.3	L379 I380 G387	L379-G383 PolarHBondContact O-N 2.87Å; I380-G383 PolarHBondContact O-N 2.92Å; G383-G387 PolarHBondContact O-N 2.84Å
384	I	96.8	Very high	95	Very high	4 Å²	4	20 Å²	20	2%	0.021	10%	0.102	C	C	.	.	H	α-helix	trans	-66.7	-40.9	175.3	-66.5	167.8	0	0	0	110.7	L122 L133 I380 R381 H382 G387 I388 Y454	L122-I384 HydrophobicContact CD1-CB 4.25Å; L122-I384 HydrophobicContact CD1-CG2 3.7Å; L133-I384 HydrophobicContact CD1-CG2 3.88Å; L133-I384 HydrophobicContact CD2-CG2 3.89Å; I380-I384 HydrophobicContact CG2-CD1 3.77Å; I380-I384 HydrophobicContact CG2-CG1 4.46Å; I380-I384 VanDerWaalsContact O-CG1 3.29Å; I380-I384 WeakPolarHBondContact O-CG1 2.92Å; I380-I384 PolarHBondContact O-N 3.35Å; R381-I384 PolarHBondContact O-N 3.28Å; H382-I384 VanDerWaalsContact C-N 3.33Å; H382-I384 PolarHBondContact O-N 2.97Å; I384-G387 CarbonylContact O-C 3.51Å; I384-G387 WeakPolarHBondContact O-CA 3.16Å; I384-G387 PolarHBondContact O-N 2.83Å; I384-I388 HydrophobicContact CG2-CD1 3.8Å; I384-I388 HydrophobicContact CG2-CG1 4.17Å; I384-I388 WeakPolarHBondContact O-CG1 3.38Å; I384-I388 PolarHBondContact O-N 2.86Å; I384-Y454 HydrophobicContact CD1-CD1 4.49Å; I384-Y454 HydrophobicContact CD1-CD2 3.64Å; I384-Y454 HydrophobicContact CD1-CE2 3.78Å; I384-Y454 HydrophobicContact CD1-CG 3.99Å; I384-Y454 HydrophobicContact CG1-CD2 4.49Å
385	A	96.3	Very high	95.2	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-60	-49.9	177.2	0	0	0	0	0	111.7	L116 L122 R381 H382 G387 I388 L389	L116-A385 HydrophobicContact CD1-CB 4.06Å; L122-A385 HydrophobicContact CB-CB 4.32Å; L122-A385 HydrophobicContact CD1-CB 4.23Å; R381-A385 PolarHBondContact O-N 2.72Å; H382-A385 WeakPolarHBondContact O-CB 3.43Å; H382-A385 PolarHBondContact O-N 2.93Å; A385-G387 VanDerWaalsContact C-N 3.26Å; A385-G387 PolarHBondContact O-N 2.91Å; A385-I388 PolarHBondContact O-N 3.2Å; A385-L389 PolarHBondContact O-N 3.13Å; A385-L389 VanDerWaalsContact O-N 3.11Å
386	E	96.2	Very high	95.4	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-59.5	-39.2	173.9	-68.1	-165	172	0	0	112	I114 L116 L353 L355 S358 H382 T390	I114-E386 HydrophobicContact CG2-CB 4.21Å; I114-E386 HydrophobicContact CG2-CG 4.15Å; L116-E386 HydrophobicContact CB-CG 4.17Å; L116-E386 HydrophobicContact CD1-CG 3.73Å; L116-E386 HydrophobicContact CG-CG 3.8Å; L116-E386 PolarHBondContact N-OE1 3.3Å; L353-E386 HydrophobicContact CD2-CB 3.92Å; L355-E386 HydrophobicContact CD2-CB 4.09Å; L355-E386 WeakPolarHBondContact CD2-OE2 3.38Å; S358-E386 PolarHBondContact OG-OE1 3Å; H382-E386 IonicContact CD2-OE1 2.72Å; H382-E386 IonicContact CE1-OE1 2.87Å; H382-E386 IonicContact NE2-OE1 3.26Å; H382-E386 PolarHBondContact NE2-OE1 2.88Å; H382-E386 PolarHBondContact O-N 2.88Å; E386-T390 VanDerWaalsContact O-CB 3.23Å; E386-T390 WeakPolarHBondContact O-CB 3.17Å; E386-T390 PolarHBondContact O-N 2.84Å; E386-T390 PolarHBondContact O-OG1 2.8Å
387	G	97.1	Very high	95.4	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-61.8	-49.5	176.6	0	0	0	0	0	113.2	G383 I384 A385 T390 A391 L418 L429	G383-G387 PolarHBondContact O-N 2.84Å; I384-G387 CarbonylContact O-C 3.51Å; I384-G387 WeakPolarHBondContact O-CA 3.16Å; I384-G387 PolarHBondContact O-N 2.83Å; A385-G387 VanDerWaalsContact C-N 3.26Å; A385-G387 PolarHBondContact O-N 2.91Å; G387-T390 PolarHBondContact O-N 2.91Å; G387-A391 WeakPolarHBondContact O-CB 3.43Å; G387-A391 PolarHBondContact O-N 3.44Å; G387-L418 WeakPolarHBondContact O-CD1 3.2Å; G387-L429 WeakPolarHBondContact O-CD2 3.41Å
388	I	97.5	Very high	95.4	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-61.6	-50.1	179.5	-69	168.3	0	0	0	110.4	L122 Q126 T129 T131 L133 I384 A385 T390 A391 F392 F431 A452	L122-I388 HydrophobicContact CD1-CD1 3.76Å; Q126-I388 HydrophobicContact CG-CD1 4.17Å; T129-I388 HydrophobicContact CG2-CG2 4.34Å; T131-I388 HydrophobicContact CG2-CG2 4.2Å; L133-I388 HydrophobicContact CD1-CD1 3.97Å; I384-I388 HydrophobicContact CG2-CD1 3.8Å; I384-I388 HydrophobicContact CG2-CG1 4.17Å; I384-I388 WeakPolarHBondContact O-CG1 3.38Å; I384-I388 PolarHBondContact O-N 2.86Å; A385-I388 PolarHBondContact O-N 3.2Å; I388-T390 VanDerWaalsContact C-N 3.35Å; I388-T390 PolarHBondContact O-N 2.88Å; I388-A391 PolarHBondContact O-N 2.87Å; I388-F392 WeakPolarHBondContact O-CB 3.46Å; I388-F392 PolarHBondContact O-N 2.74Å; I388-F431 HydrophobicContact CG2-CE2 4.42Å; I388-A452 HydrophobicContact CG1-CB 4.25Å
389	L	97.1	Very high	95.5	Very high	0 Å²	0	7 Å²	7	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-62.2	-43.3	-179.3	-72.6	166.2	0	0	0	111.6	I112 I114 L116 S125 T129 I262 A385 A393	I112-L389 HydrophobicContact CD1-CD2 4.49Å; I112-L389 HydrophobicContact CG2-CD1 3.77Å; I112-L389 HydrophobicContact CG2-CD2 4.38Å; I114-L389 HydrophobicContact CD1-CB 3.66Å; I114-L389 HydrophobicContact CD1-CD1 4.47Å; L116-L389 HydrophobicContact CD1-CD1 4Å; L116-L389 HydrophobicContact CD2-CD1 3.94Å; L116-L389 HydrophobicContact CG-CD1 4.44Å; S125-L389 WeakPolarHBondContact OG-CD1 3.46Å; T129-L389 HydrophobicContact CG2-CD2 3.9Å; I262-L389 HydrophobicContact CD1-CD2 3.79Å; I262-L389 HydrophobicContact CG1-CD2 4.37Å; I262-L389 HydrophobicContact CG2-CB 4.32Å; A385-L389 PolarHBondContact O-N 3.13Å; A385-L389 VanDerWaalsContact O-N 3.11Å; L389-A393 VanDerWaalsContact O-CB 3.27Å; L389-A393 WeakPolarHBondContact O-CB 3.25Å; L389-A393 PolarHBondContact O-N 2.71Å
390	T	96.7	Very high	95.5	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-63.8	-47.5	176.7	-60.4	0	0	0	0	111.1	I114 I221 S264 L266 L353 E386 G387 I388 A393 W394 L418	I114-T390 VanDerWaalsContact CD1-OG1 3.24Å; I114-T390 WeakPolarHBondContact CD1-OG1 3.44Å; I221-T390 HydrophobicContact CD1-CG2 3.7Å; S264-T390 WeakPolarHBondContact OG-CG2 3.19Å; S264-T390 PolarHBondContact OG-OG1 3.34Å; L266-T390 HydrophobicContact CD2-CG2 3.81Å; L353-T390 HydrophobicContact CD1-CG2 4.26Å; E386-T390 VanDerWaalsContact O-CB 3.23Å; E386-T390 WeakPolarHBondContact O-CB 3.17Å; E386-T390 PolarHBondContact O-N 2.84Å; E386-T390 PolarHBondContact O-OG1 2.8Å; G387-T390 PolarHBondContact O-N 2.91Å; I388-T390 VanDerWaalsContact C-N 3.35Å; I388-T390 PolarHBondContact O-N 2.88Å; T390-A393 PolarHBondContact O-N 3.1Å; T390-W394 VanDerWaalsContact O-CB 3.27Å; T390-W394 WeakPolarHBondContact O-CB 3.22Å; T390-W394 PolarHBondContact O-N 2.82Å; T390-L418 HydrophobicContact CG2-CD1 3.91Å
391	A	97.6	Very high	95.3	Very high	0 Å²	0	3.8 Å²	3.8	0%	0	2%	0.016	C	C	.	.	H	α-helix	trans	-65.8	-42.7	-178.4	0	0	0	0	0	112	G387 I388 W394 A395 V416 L418 L429 F431	G387-A391 WeakPolarHBondContact O-CB 3.43Å; G387-A391 PolarHBondContact O-N 3.44Å; I388-A391 PolarHBondContact O-N 2.87Å; A391-W394 PolarHBondContact O-N 2.93Å; A391-A395 WeakPolarHBondContact O-CB 3.25Å; A391-A395 PolarHBondContact O-N 3.18Å; A391-V416 HydrophobicContact CB-CG2 3.95Å; A391-L418 HydrophobicContact CB-CD1 3.75Å; A391-L418 HydrophobicContact CB-CG 4.27Å; A391-L429 HydrophobicContact CB-CD2 4.29Å; A391-F431 HydrophobicContact CB-CB 3.53Å; A391-F431 HydrophobicContact CB-CD1 4.26Å; A391-F431 HydrophobicContact CB-CD2 3.92Å; A391-F431 HydrophobicContact CB-CG 3.64Å
392	F	97.5	Very high	95.1	Very high	0 Å²	0	1 Å²	1	0%	0	1%	0.005	C	C	.	.	H	α-helix	trans	-59.8	-50.1	174.1	170.9	-88.3	0	0	0	111.1	T129 L225 I262 I388 W394 A395 S396 F431 L433 L439	T129-F392 HydrophobicContact CG2-CB 3.71Å; T129-F392 HydrophobicContact CG2-CD1 3.75Å; T129-F392 HydrophobicContact CG2-CD2 4.01Å; T129-F392 HydrophobicContact CG2-CE1 4.48Å; T129-F392 HydrophobicContact CG2-CG 3.51Å; L225-F392 HydrophobicContact CD2-CD1 4.24Å; L225-F392 HydrophobicContact CD2-CE1 3.34Å; L225-F392 HydrophobicContact CD2-CZ 3.91Å; I262-F392 HydrophobicContact CD1-CD1 3.85Å; I262-F392 HydrophobicContact CD1-CE1 4.21Å; I388-F392 WeakPolarHBondContact O-CB 3.46Å; I388-F392 PolarHBondContact O-N 2.74Å; F392-W394 VanDerWaalsContact C-N 3.28Å; F392-W394 PolarHBondContact O-N 2.8Å; F392-A395 PolarHBondContact O-N 2.78Å; F392-S396 WeakPolarHBondContact CZ-OG 3.25Å; F392-S396 WeakPolarHBondContact O-CB 3.33Å; F392-S396 PolarHBondContact O-N 3.39Å; F392-S396 PolarHBondContact O-OG 3.34Å; F392-F431 HydrophobicContact CB-CE1 4.23Å; F392-F431 HydrophobicContact CB-CE2 4.16Å; F392-F431 HydrophobicContact CB-CZ 3.72Å; F392-F431 HydrophobicContact CD2-CE1 4.48Å; F392-F431 AromaticContact CD2-CZ 3.96Å; F392-F431 HydrophobicContact CD2-CZ 3.96Å; F392-F431 HydrophobicContact CG-CZ 4.35Å; F392-L433 HydrophobicContact CD2-CD1 3.82Å; F392-L433 HydrophobicContact CE2-CD1 3.74Å; F392-L439 HydrophobicContact CE2-CD1 4.23Å; F392-L439 HydrophobicContact CZ-CD1 3.73Å
393	A	95.3	Very high	94.8	Very high	0 Å²	0	0.8 Å²	0.8	0%	0	0%	0.004	C	C	.	.	H	α-helix	trans	-62.1	-39.2	179.1	0	0	0	0	0	111.1	I221 M223 I262 L389 T390 A397	I221-A393 HydrophobicContact CG2-CB 3.63Å; M223-A393 HydrophobicContact CB-CB 3.79Å; I262-A393 HydrophobicContact CB-CB 4.06Å; I262-A393 HydrophobicContact CG2-CB 3.75Å; L389-A393 VanDerWaalsContact O-CB 3.27Å; L389-A393 WeakPolarHBondContact O-CB 3.25Å; L389-A393 PolarHBondContact O-N 2.71Å; T390-A393 PolarHBondContact O-N 3.1Å; A393-A397 WeakPolarHBondContact O-CB 3.37Å; A393-A397 PolarHBondContact O-N 2.74Å
394	W	95.8	Very high	94.7	Very high	0 Å²	0	0.7 Å²	0.7	0%	0	0%	0.004	C	C	.	.	H	α-helix	trans	-67.5	-48.9	179.7	-163.5	25.5	0	0	0	112.6	I221 L266 Q269 A331 T390 A391 F392 A397 Q398 V416 L418	I221-W394 HydrophobicContact CD1-CB 3.79Å; I221-W394 HydrophobicContact CD1-CD2 4.33Å; I221-W394 HydrophobicContact CD1-CG 3.76Å; I221-W394 HydrophobicContact CG1-CB 4.34Å; I221-W394 HydrophobicContact CG1-CG 4.19Å; I221-W394 HydrophobicContact CG2-CB 4.19Å; L266-W394 HydrophobicContact CD1-CD2 4.01Å; L266-W394 HydrophobicContact CD1-CE3 4.19Å; L266-W394 HydrophobicContact CD1-CH2 3.93Å; L266-W394 HydrophobicContact CD1-CZ2 3.69Å; L266-W394 HydrophobicContact CD1-CZ3 4.17Å; Q269-W394 HydrophobicContact CB-CZ2 4.23Å; A331-W394 PolarHBondContact O-NE1 3.01Å; T390-W394 VanDerWaalsContact O-CB 3.27Å; T390-W394 WeakPolarHBondContact O-CB 3.22Å; T390-W394 PolarHBondContact O-N 2.82Å; A391-W394 PolarHBondContact O-N 2.93Å; F392-W394 VanDerWaalsContact C-N 3.28Å; F392-W394 PolarHBondContact O-N 2.8Å; W394-A397 PolarHBondContact O-N 3.32Å; W394-Q398 WeakPolarHBondContact O-CG 3.39Å; W394-Q398 PolarHBondContact O-N 3.29Å; W394-V416 HydrophobicContact CD2-CB 4.5Å; W394-V416 HydrophobicContact CD2-CG1 4.21Å; W394-V416 HydrophobicContact CE3-CB 3.69Å; W394-V416 HydrophobicContact CE3-CG1 3.88Å; W394-V416 HydrophobicContact CE3-CG2 4.11Å; W394-V416 HydrophobicContact CZ3-CB 3.97Å; W394-V416 HydrophobicContact CZ3-CG1 4.34Å; W394-L418 HydrophobicContact CE3-CD2 3.78Å; W394-L418 HydrophobicContact CZ3-CD2 3.73Å
395	A	96.6	Very high	94.4	Very high	0 Å²	0	0.6 Å²	0.6	0%	0	0%	0.003	C	C	.	.	H	α-helix	trans	-65.1	-41.3	178.4	0	0	0	0	0	111.5	A391 F392 Q398 A399 F414 V416 F431 L433	A391-A395 WeakPolarHBondContact O-CB 3.25Å; A391-A395 PolarHBondContact O-N 3.18Å; F392-A395 PolarHBondContact O-N 2.78Å; A395-Q398 WeakPolarHBondContact O-CB 3.43Å; A395-Q398 PolarHBondContact O-N 3.3Å; A395-A399 PolarHBondContact O-N 3.25Å; A395-F414 HydrophobicContact CB-CB 4.28Å; A395-V416 HydrophobicContact CB-CG1 4.06Å; A395-V416 HydrophobicContact CB-CG2 4.15Å; A395-F431 HydrophobicContact CB-CD1 4.17Å; A395-F431 HydrophobicContact CB-CE1 4.3Å; A395-L433 HydrophobicContact CB-CB 3.89Å; A395-L433 HydrophobicContact CB-CD2 4.18Å
396	S	95.2	Very high	94.1	Very high	0 Å²	0	0.7 Å²	0.7	0%	0	0%	0.004	C	C	.	.	H	α-helix	trans	-66.5	-41.1	178.5	-58.2	0	0	0	0	111.7	F392 Q398 A399 Y400	F392-S396 WeakPolarHBondContact CZ-OG 3.25Å; F392-S396 WeakPolarHBondContact O-CB 3.33Å; F392-S396 PolarHBondContact O-N 3.39Å; F392-S396 PolarHBondContact O-OG 3.34Å; S396-Q398 VanDerWaalsContact C-N 3.31Å; S396-Q398 PolarHBondContact O-N 2.86Å; S396-A399 WeakPolarHBondContact O-CB 3.28Å; S396-A399 PolarHBondContact O-N 3.12Å; S396-A399 VanDerWaalsContact O-N 3.16Å; S396-Y400 WeakPolarHBondContact O-CD1 3.44Å; S396-Y400 PolarHBondContact O-N 3.06Å
397	A	92.3	Very high	93.8	Very high	0 Å²	0	1.7 Å²	1.7	0%	0	1%	0.008	C	C	.	.	H	α-helix	trans	-65.1	-36.5	176.1	0	0	0	0	0	112.1	S329 I330 A331 A393 W394 Y400 N401	S329-A397 VanDerWaalsContact OG-CA 3.25Å; S329-A397 WeakPolarHBondContact OG-CA 3.49Å; S329-A397 WeakPolarHBondContact OG-CB 3.43Å; I330-A397 WeakPolarHBondContact O-CB 3.39Å; A331-A397 HydrophobicContact CB-CB 3.8Å; A393-A397 WeakPolarHBondContact O-CB 3.37Å; A393-A397 PolarHBondContact O-N 2.74Å; W394-A397 PolarHBondContact O-N 3.32Å; A397-Y400 PolarHBondContact O-N 3.29Å; A397-N401 PolarHBondContact O-N 3.45Å; A397-N401 VanDerWaalsContact O-N 3.08Å; A397-N401 PolarHBondContact O-ND2 3.16Å; A397-N401 PolarHBondContact O-OD1 3.15Å
398	Q	93.3	Very high	93.6	Very high	2 Å²	2	1.8 Å²	1.8	1%	0.009	1%	0.008	C	C	.	.	H	α-helix	trans	-63.2	-43.7	170.8	-70.8	177.4	52.8	0	0	111.4	A331 Y333 G348 W394 A395 S396 Y400 N401 Q402 F414	A331-Q398 HydrophobicContact CB-CG 3.77Å; Y333-Q398 HydrophobicContact CE1-CG 4.44Å; G348-Q398 VanDerWaalsContact N-CD 3.31Å; W394-Q398 WeakPolarHBondContact O-CG 3.39Å; W394-Q398 PolarHBondContact O-N 3.29Å; A395-Q398 WeakPolarHBondContact O-CB 3.43Å; A395-Q398 PolarHBondContact O-N 3.3Å; S396-Q398 VanDerWaalsContact C-N 3.31Å; S396-Q398 PolarHBondContact O-N 2.86Å; Q398-Y400 VanDerWaalsContact C-N 3.32Å; Q398-Y400 PolarHBondContact O-N 3.42Å; Q398-N401 WeakPolarHBondContact O-CB 3.43Å; Q398-N401 PolarHBondContact O-N 2.84Å; Q398-Q402 WeakPolarHBondContact O-CG 3.37Å; Q398-Q402 PolarHBondContact O-N 3.04Å; Q398-Q402 VanDerWaalsContact O-N 3.14Å; Q398-F414 HydrophobicContact CB-CD1 4.03Å; Q398-F414 HydrophobicContact CB-CE1 4.17Å
399	A	94	Very high	93.3	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	2%	0.017	C	C	.	.	H	α-helix	trans	-60	-42.1	176.2	0	0	0	0	0	112.1	A395 S396 N401 Q402 G403 F404 L410 F414 L433 I436	A395-A399 PolarHBondContact O-N 3.25Å; S396-A399 WeakPolarHBondContact O-CB 3.28Å; S396-A399 PolarHBondContact O-N 3.12Å; S396-A399 VanDerWaalsContact O-N 3.16Å; A399-N401 VanDerWaalsContact C-N 3.31Å; A399-N401 PolarHBondContact O-N 3.38Å; A399-Q402 CarbonylContact O-C 3.53Å; A399-Q402 WeakPolarHBondContact O-CA 3.4Å; A399-Q402 PolarHBondContact O-N 3.26Å; A399-G403 PolarHBondContact O-N 3.15Å; A399-F404 HydrophobicContact CB-CB 4.1Å; A399-F404 HydrophobicContact CB-CD2 4.1Å; A399-F404 HydrophobicContact CB-CG 4.43Å; A399-F404 WeakPolarHBondContact O-CB 3.26Å; A399-F404 WeakPolarHBondContact O-CD2 3.47Å; A399-F404 PolarHBondContact O-N 2.68Å; A399-F404 VanDerWaalsContact O-N 3.11Å; A399-L410 HydrophobicContact CB-CD2 3.86Å; A399-F414 HydrophobicContact CB-CD1 4.48Å; A399-F414 HydrophobicContact CB-CD2 3.87Å; A399-F414 HydrophobicContact CB-CE1 4.31Å; A399-F414 HydrophobicContact CB-CE2 3.69Å; A399-F414 HydrophobicContact CB-CG 4.27Å; A399-F414 HydrophobicContact CB-CZ 3.92Å; A399-L433 HydrophobicContact CB-CD2 4.2Å; A399-I436 HydrophobicContact CB-CD1 3.77Å
400	Y	91.6	Very high	93.1	Very high	1 Å²	1	4 Å²	4	0%	0.004	2%	0.019	C	C	.	.	H	α-helix	trans	-61.3	-39.7	175.5	-85.4	28	0	0	0	112.5	L97 L100 M223 F224 S329 S396 A397 Q398 Q402 G403 F404 L406 I436	L97-Y400 HydrophobicContact CD2-CD2 3.29Å; L97-Y400 HydrophobicContact CD2-CE2 3.97Å; L97-Y400 HydrophobicContact CD2-CG 3.9Å; L100-Y400 HydrophobicContact CD2-CE2 3.96Å; M223-Y400 HydrophobicContact CE-CD1 4.16Å; M223-Y400 HydrophobicContact CE-CD2 3.96Å; M223-Y400 HydrophobicContact CE-CE1 3.58Å; M223-Y400 HydrophobicContact CE-CE2 3.35Å; M223-Y400 HydrophobicContact CE-CG 4.33Å; M223-Y400 WeakPolarHBondContact CE-OH 3.34Å; M223-Y400 HydrophobicContact SD-CD2 4.11Å; M223-Y400 HydrophobicContact SD-CE2 4.01Å; M223-Y400 HydrophobicContact SD-CG 4.5Å; F224-Y400 HydrophobicContact CE1-CE2 4.2Å; F224-Y400 HydrophobicContact CE2-CE2 4.26Å; F224-Y400 AromaticContact CZ-CE2 3.89Å; F224-Y400 HydrophobicContact CZ-CE2 3.89Å; S329-Y400 WeakPolarHBondContact OG-CB 3.28Å; S396-Y400 WeakPolarHBondContact O-CD1 3.44Å; S396-Y400 PolarHBondContact O-N 3.06Å; A397-Y400 PolarHBondContact O-N 3.29Å; Q398-Y400 VanDerWaalsContact C-N 3.32Å; Q398-Y400 PolarHBondContact O-N 3.42Å; Y400-Q402 PolarHBondContact O-N 3.28Å; Y400-G403 PolarHBondContact O-N 3.15Å; Y400-F404 WeakPolarHBondContact CA-O 3.4Å; Y400-F404 VanDerWaalsContact CD1-O 3.28Å; Y400-F404 WeakPolarHBondContact CD1-O 3.49Å; Y400-L406 WeakPolarHBondContact OH-CD2 3.1Å; Y400-L406 WeakPolarHBondContact OH-CG 3.31Å; Y400-L406 PolarHBondContact OH-N 3.41Å; Y400-I436 HydrophobicContact CD1-CD1 4.29Å; Y400-I436 HydrophobicContact CE1-CD1 4.04Å; Y400-I436 HydrophobicContact CE1-CG2 4.26Å
401	N	89.1	Confident	92.9	Very high	7 Å²	7	7.4 Å²	7.4	4%	0.037	4%	0.04	C	C	.	.	H	α-helix	trans	-65.3	-25.5	175.1	-67.1	-16.5	0	0	0	112.9	A331 Y333 A335 A397 Q398 A399 G403	A331-N401 WeakPolarHBondContact CB-ND2 3.45Å; Y333-N401 VanDerWaalsContact CZ-ND2 3.26Å; Y333-N401 WeakPolarHBondContact OH-CB 3.39Å; Y333-N401 PolarHBondContact OH-ND2 3.4Å; A335-N401 HydrophobicContact CB-CB 4.13Å; A397-N401 PolarHBondContact O-N 3.45Å; A397-N401 VanDerWaalsContact O-N 3.08Å; A397-N401 PolarHBondContact O-ND2 3.16Å; A397-N401 PolarHBondContact O-OD1 3.15Å; Q398-N401 WeakPolarHBondContact O-CB 3.43Å; Q398-N401 PolarHBondContact O-N 2.84Å; A399-N401 VanDerWaalsContact C-N 3.31Å; A399-N401 PolarHBondContact O-N 3.38Å; N401-G403 VanDerWaalsContact C-N 3.33Å
402	Q	90.3	Very high	92.7	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.046	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	2.2	173.9	-57.2	-58.1	-30.5	0	0	113.3	E346 F347 Q398 A399 Y400 F404 F414 R501 L504	E346-Q402 PolarHBondContact OE2-NE2 3.47Å; F347-Q402 HydrophobicContact CE1-CG 4.16Å; F347-Q402 HydrophobicContact CZ-CG 4.2Å; F347-Q402 VanDerWaalsContact CZ-NE2 3.3Å; Q398-Q402 WeakPolarHBondContact O-CG 3.37Å; Q398-Q402 PolarHBondContact O-N 3.04Å; Q398-Q402 VanDerWaalsContact O-N 3.14Å; A399-Q402 CarbonylContact O-C 3.53Å; A399-Q402 WeakPolarHBondContact O-CA 3.4Å; A399-Q402 PolarHBondContact O-N 3.26Å; Y400-Q402 PolarHBondContact O-N 3.28Å; Q402-F404 HydrophobicContact CB-CD2 4.12Å; Q402-F404 HydrophobicContact CB-CE2 4.16Å; Q402-F414 HydrophobicContact CB-CZ 4.03Å; Q402-F414 HydrophobicContact CG-CE1 3.93Å; Q402-F414 HydrophobicContact CG-CZ 3.82Å; Q402-R501 HydrophobicContact CB-CG 4.45Å; Q402-L504 WeakPolarHBondContact O-CD1 3.38Å
403	G	90.2	Very high	92.5	Very high	1 Å²	1	9.4 Å²	9.4	1%	0.01	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.7	4.1	173.9	0	0	0	0	0	115.8	A399 Y400 N401	A399-G403 PolarHBondContact O-N 3.15Å; Y400-G403 PolarHBondContact O-N 3.15Å; N401-G403 VanDerWaalsContact C-N 3.33Å
404	F	93.1	Very high	92.6	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.049	C	C	.	.			trans	-70.1	155.2	167	-60.5	-77.3	0	0	0	110.2	A399 Y400 Q402 E409 L410 T411 Y412 F414 P502 Y503	A399-F404 HydrophobicContact CB-CB 4.1Å; A399-F404 HydrophobicContact CB-CD2 4.1Å; A399-F404 HydrophobicContact CB-CG 4.43Å; A399-F404 WeakPolarHBondContact O-CB 3.26Å; A399-F404 WeakPolarHBondContact O-CD2 3.47Å; A399-F404 PolarHBondContact O-N 2.68Å; A399-F404 VanDerWaalsContact O-N 3.11Å; Y400-F404 WeakPolarHBondContact CA-O 3.4Å; Y400-F404 VanDerWaalsContact CD1-O 3.28Å; Y400-F404 WeakPolarHBondContact CD1-O 3.49Å; Q402-F404 HydrophobicContact CB-CD2 4.12Å; Q402-F404 HydrophobicContact CB-CE2 4.16Å; F404-E409 WeakPolarHBondContact CD1-O 3.2Å; F404-E409 WeakPolarHBondContact CE1-O 3.3Å; F404-L410 HydrophobicContact CB-CD2 3.84Å; F404-L410 HydrophobicContact CD1-CD2 3.72Å; F404-L410 HydrophobicContact CD2-CD2 3.89Å; F404-L410 HydrophobicContact CE1-CD2 4.26Å; F404-L410 HydrophobicContact CE2-CD2 4.4Å; F404-L410 HydrophobicContact CG-CD2 3.53Å; F404-T411 HydrophobicContact CE1-CG2 4.28Å; F404-T411 WeakPolarHBondContact CZ-OG1 3.44Å; F404-Y412 AromaticContact CE2-CE1 3.7Å; F404-Y412 HydrophobicContact CE2-CE1 3.7Å; F404-Y412 AromaticContact CE2-CZ 3.94Å; F404-Y412 HydrophobicContact CZ-CD1 4.14Å; F404-Y412 AromaticContact CZ-CE1 3.63Å; F404-Y412 HydrophobicContact CZ-CE1 3.63Å; F404-F414 AromaticContact CD2-CE2 3.69Å; F404-F414 HydrophobicContact CD2-CE2 3.69Å; F404-F414 AromaticContact CD2-CZ 3.91Å; F404-F414 HydrophobicContact CD2-CZ 3.91Å; F404-F414 AromaticContact CE2-CE2 3.54Å; F404-F414 HydrophobicContact CE2-CE2 3.54Å; F404-F414 AromaticContact CE2-CZ 3.77Å; F404-F414 HydrophobicContact CE2-CZ 3.77Å; F404-F414 HydrophobicContact CZ-CE2 4.46Å; F404-P502 HydrophobicContact CE1-CG 3.73Å; F404-P502 HydrophobicContact CZ-CG 3.63Å; F404-Y503 AromaticContact CD1-CD2 3.74Å; F404-Y503 HydrophobicContact CD1-CD2 3.74Å; F404-Y503 AromaticContact CD1-CE2 3.49Å; F404-Y503 HydrophobicContact CD1-CE2 3.49Å; F404-Y503 VanDerWaalsContact CD1-CE2 3.49Å; F404-Y503 AromaticContact CE1-CD2 3.92Å; F404-Y503 HydrophobicContact CE1-CD2 3.92Å; F404-Y503 AromaticContact CE1-CE2 3.54Å; F404-Y503 HydrophobicContact CE1-CE2 3.54Å
405	T	90.5	Very high	92.6	Very high	1 Å²	1	9.9 Å²	9.9	1%	0.006	5%	0.052	C	C	.	.	B	Isolated β-bridge	trans	-145.5	178	-178.1	70.9	0	0	0	0	110.2	L87 Y407 N408	L87-T405 HydrophobicContact CD1-CG2 4.23Å; T405-Y407 PolarHBondContact O-N 2.95Å; T405-Y407 PolarHBondContact OG1-N 2.66Å; T405-Y407 VanDerWaalsContact OG1-N 3.11Å; T405-N408 PolarHBondContact N-O 3.31Å; T405-N408 PolarHBondContact O-N 3.02Å; T405-N408 VanDerWaalsContact O-O 3.1Å; T405-N408 PolarHBondContact OG1-N 3.14Å; T405-N408 VanDerWaalsContact OG1-N 3.13Å; T405-N408 PolarHBondContact OG1-OD1 2.85Å
406	L	89.3	Confident	92.6	Very high	3 Å²	3	9.9 Å²	9.9	2%	0.016	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-24.1	169.6	-65	177.1	0	0	0	112.8	E104 K226 Y400 I436 T437 W440	E104-L406 WeakPolarHBondContact OE1-CD1 3.41Å; K226-L406 HydrophobicContact CG-CD1 4.15Å; Y400-L406 WeakPolarHBondContact OH-CD2 3.1Å; Y400-L406 WeakPolarHBondContact OH-CG 3.31Å; Y400-L406 PolarHBondContact OH-N 3.41Å; L406-I436 HydrophobicContact CD2-CG2 3.91Å; L406-T437 WeakPolarHBondContact O-CB 3.3Å; L406-T437 VanDerWaalsContact O-CG2 3.31Å; L406-T437 WeakPolarHBondContact O-CG2 3.15Å; L406-W440 PolarHBondContact O-NE1 2.9Å
407	Y	90.6	Very high	92.6	Very high	20 Å²	20	10 Å²	10	8%	0.078	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.5	-10.1	-173.6	-57	-60.9	0	0	0	114	R80 H83 L87 L100 E104 K226 T405 W440	R80-Y407 HydrophobicContact CB-CD1 3.91Å; R80-Y407 HydrophobicContact CB-CE1 3.81Å; R80-Y407 VanDerWaalsContact CD-CE1 3.46Å; R80-Y407 HydrophobicContact CG-CD1 4.39Å; R80-Y407 HydrophobicContact CG-CE1 3.78Å; R80-Y407 PolarHBondContact NE-OH 3.18Å; R80-Y407 PolarHBondContact NH1-OH 3.11Å; H83-Y407 HydrophobicContact CB-CD2 4.07Å; H83-Y407 HydrophobicContact CB-CE2 4.27Å; H83-Y407 HydrophobicContact CB-CG 4.25Å; L87-Y407 HydrophobicContact CD1-CD2 3.77Å; L100-Y407 HydrophobicContact CD1-CD2 3.71Å; L100-Y407 HydrophobicContact CD1-CE2 3.54Å; E104-Y407 VanDerWaalsContact CD-OH 3.23Å; E104-Y407 VanDerWaalsContact OE1-CE2 3.3Å; E104-Y407 WeakPolarHBondContact OE1-CE2 3.31Å; E104-Y407 PolarHBondContact OE1-OH 3.1Å; E104-Y407 PolarHBondContact OE2-OH 3.11Å; K226-Y407 PolarHBondContact NZ-OH 3.22Å; T405-Y407 PolarHBondContact O-N 2.95Å; T405-Y407 PolarHBondContact OG1-N 2.66Å; T405-Y407 VanDerWaalsContact OG1-N 3.11Å; Y407-W440 HydrophobicContact CD1-CH2 4.19Å; Y407-W440 AromaticContact CD1-CZ2 3.61Å; Y407-W440 HydrophobicContact CD1-CZ2 3.61Å; Y407-W440 HydrophobicContact CE1-CH2 4.42Å; Y407-W440 HydrophobicContact CE1-CZ2 4.01Å
408	N	91.2	Very high	92.9	Very high	2 Å²	2	10 Å²	10	1%	0.011	5%	0.053	C	C	.	.	B	Isolated β-bridge	trans	-118.1	109.1	-180	-56.1	117.7	0	0	0	109.1	G84 K88 T405 Y503	G84-N408 PolarHBondContact O-ND2 3.03Å; K88-N408 WeakPolarHBondContact CE-ND2 3.4Å; T405-N408 PolarHBondContact N-O 3.31Å; T405-N408 PolarHBondContact O-N 3.02Å; T405-N408 VanDerWaalsContact O-O 3.1Å; T405-N408 PolarHBondContact OG1-N 3.14Å; T405-N408 VanDerWaalsContact OG1-N 3.13Å; T405-N408 PolarHBondContact OG1-OD1 2.85Å; N408-Y503 HydrophobicContact CB-CD2 3.79Å; N408-Y503 HydrophobicContact CB-CE2 3.66Å; N408-Y503 HydrophobicContact CB-CG 4.37Å
409	E	91.4	Very high	93.1	Very high	38 Å²	38	10.1 Å²	10.1	18%	0.178	5%	0.053	C	C	.	.			trans	-70.3	154.1	-172.9	-168.3	57.9	-80.1	0	0	113.2	F404 T411 S435 I436 T437 Y503	F404-E409 WeakPolarHBondContact CD1-O 3.2Å; F404-E409 WeakPolarHBondContact CE1-O 3.3Å; E409-T411 PolarHBondContact O-N 2.99Å; E409-S435 VanDerWaalsContact CD-OG 3.31Å; E409-S435 VanDerWaalsContact OE1-CA 3.3Å; E409-S435 WeakPolarHBondContact OE1-CA 3.48Å; E409-S435 PolarHBondContact OE1-OG 2.85Å; E409-S435 PolarHBondContact OE2-OG 3Å; E409-I436 PolarHBondContact OE1-N 2.46Å; E409-T437 HydrophobicContact CB-CG2 3.75Å; E409-T437 HydrophobicContact CG-CG2 4.35Å; E409-T437 WeakPolarHBondContact OE2-CB 3.06Å; E409-T437 PolarHBondContact OE2-N 3.41Å; E409-T437 PolarHBondContact OE2-OG1 2.9Å; E409-Y503 WeakPolarHBondContact O-CE2 3.34Å; E409-Y503 PolarHBondContact O-OH 3.17Å; E409-Y503 VanDerWaalsContact O-OH 3.13Å
410	L	94	Very high	93.2	Very high	9 Å²	9	10.2 Å²	10.2	5%	0.047	5%	0.054	C	C	.	.			trans	-61.5	132	175.9	-58.2	-174.9	0	0	0	111.5	A399 F404 F414 L433 I436	A399-L410 HydrophobicContact CB-CD2 3.86Å; F404-L410 HydrophobicContact CB-CD2 3.84Å; F404-L410 HydrophobicContact CD1-CD2 3.72Å; F404-L410 HydrophobicContact CD2-CD2 3.89Å; F404-L410 HydrophobicContact CE1-CD2 4.26Å; F404-L410 HydrophobicContact CE2-CD2 4.4Å; F404-L410 HydrophobicContact CG-CD2 3.53Å; L410-F414 HydrophobicContact CD1-CD2 4.36Å; L410-F414 HydrophobicContact CD2-CD2 4.11Å; L410-F414 HydrophobicContact CD2-CE2 4.03Å; L410-L433 HydrophobicContact CD1-CB 4.39Å; L410-L433 HydrophobicContact CD1-CD2 3.84Å; L410-L433 HydrophobicContact CD1-CG 3.77Å; L410-L433 WeakPolarHBondContact CD1-O 3.43Å; L410-I436 HydrophobicContact CD1-CG1 4.35Å; L410-I436 HydrophobicContact CD2-CD1 3.91Å; L410-I436 HydrophobicContact CD2-CG1 4.33Å; L410-I436 HydrophobicContact CG-CD1 4.47Å; L410-I436 HydrophobicContact CG-CG1 4.34Å
411	T	92.3	Very high	93.4	Very high	71 Å²	71	10.6 Å²	10.6	44%	0.436	6%	0.056	S	C	.	.	S	Bend	trans	-90	-17.5	171.1	55.4	0	0	0	0	112.3	F404 E409 P502	F404-T411 HydrophobicContact CE1-CG2 4.28Å; F404-T411 WeakPolarHBondContact CZ-OG1 3.44Å; E409-T411 PolarHBondContact O-N 2.99Å; T411-P502 HydrophobicContact CG2-CB 4.12Å; T411-P502 HydrophobicContact CG2-CG 3.8Å
412	Y	92.9	Very high	93.5	Very high	32 Å²	32	10.6 Å²	10.6	13%	0.125	6%	0.055	C	C	.	.	S	Bend	trans	-147.8	151.7	174.7	62.7	-85	0	0	0	108.8	F404 F414 L500	F404-Y412 AromaticContact CE2-CE1 3.7Å; F404-Y412 HydrophobicContact CE2-CE1 3.7Å; F404-Y412 AromaticContact CE2-CZ 3.94Å; F404-Y412 HydrophobicContact CZ-CD1 4.14Å; F404-Y412 AromaticContact CZ-CE1 3.63Å; F404-Y412 HydrophobicContact CZ-CE1 3.63Å; Y412-F414 HydrophobicContact CD2-CD2 4.44Å; Y412-F414 HydrophobicContact CD2-CE2 4.24Å; Y412-F414 HydrophobicContact CE1-CE2 4.37Å; Y412-F414 HydrophobicContact CE2-CD2 4.01Å; Y412-F414 HydrophobicContact CE2-CE1 4.13Å; Y412-F414 AromaticContact CE2-CE2 3.53Å; Y412-F414 HydrophobicContact CE2-CE2 3.53Å; Y412-F414 HydrophobicContact CE2-CG 4.49Å; Y412-F414 AromaticContact CE2-CZ 3.59Å; Y412-F414 HydrophobicContact CE2-CZ 3.59Å; Y412-F414 AromaticContact CZ-CE2 3.62Å; Y412-F414 AromaticContact CZ-CZ 3.49Å; Y412-F414 VanDerWaalsContact CZ-CZ 3.49Å; Y412-F414 WeakPolarHBondContact OH-CZ 3.49Å; Y412-L500 HydrophobicContact CD1-CD2 4.27Å; Y412-L500 HydrophobicContact CD2-CD2 4.1Å; Y412-L500 HydrophobicContact CE1-CB 4.34Å; Y412-L500 HydrophobicContact CE1-CD2 3.77Å; Y412-L500 WeakPolarHBondContact CE1-O 3.44Å; Y412-L500 HydrophobicContact CE2-CD2 3.55Å; Y412-L500 HydrophobicContact CG-CD2 4.43Å; Y412-L500 PolarHBondContact OH-O 3.2Å
413	P	94.5	Very high	93.2	Very high	11 Å²	11	12.6 Å²	12.6	7%	0.071	8%	0.076	C	C	.	.			trans	-71.8	145	178.8	29.2	-36.3	0	0	0	112.4	P278 L282 Q432 L433	P278-P413 HydrophobicContact CB-CB 4.22Å; P278-P413 HydrophobicContact CB-CG 3.33Å; P278-P413 HydrophobicContact CG-CG 3.69Å; L282-P413 HydrophobicContact CD2-CB 3.88Å; L282-P413 HydrophobicContact CD2-CG 4.34Å; P413-Q432 HydrophobicContact CB-CG 3.78Å; P413-L433 VanDerWaalsContact CA-O 3.24Å; P413-L433 WeakPolarHBondContact CA-O 3.45Å
414	F	95.7	Very high	93	Very high	2 Å²	2	14.4 Å²	14.4	1%	0.009	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	123.7	170.8	-78.5	-105	0	0	0	110.4	F347 A395 Q398 A399 Q402 F404 L410 Y412 Q432 L433	F347-F414 HydrophobicContact CD1-CE1 4.4Å; F347-F414 AromaticContact CE1-CE1 3.92Å; F347-F414 HydrophobicContact CE1-CE1 3.92Å; A395-F414 HydrophobicContact CB-CB 4.28Å; Q398-F414 HydrophobicContact CB-CD1 4.03Å; Q398-F414 HydrophobicContact CB-CE1 4.17Å; A399-F414 HydrophobicContact CB-CD1 4.48Å; A399-F414 HydrophobicContact CB-CD2 3.87Å; A399-F414 HydrophobicContact CB-CE1 4.31Å; A399-F414 HydrophobicContact CB-CE2 3.69Å; A399-F414 HydrophobicContact CB-CG 4.27Å; A399-F414 HydrophobicContact CB-CZ 3.92Å; Q402-F414 HydrophobicContact CB-CZ 4.03Å; Q402-F414 HydrophobicContact CG-CE1 3.93Å; Q402-F414 HydrophobicContact CG-CZ 3.82Å; F404-F414 AromaticContact CD2-CE2 3.69Å; F404-F414 HydrophobicContact CD2-CE2 3.69Å; F404-F414 AromaticContact CD2-CZ 3.91Å; F404-F414 HydrophobicContact CD2-CZ 3.91Å; F404-F414 AromaticContact CE2-CE2 3.54Å; F404-F414 HydrophobicContact CE2-CE2 3.54Å; F404-F414 AromaticContact CE2-CZ 3.77Å; F404-F414 HydrophobicContact CE2-CZ 3.77Å; F404-F414 HydrophobicContact CZ-CE2 4.46Å; L410-F414 HydrophobicContact CD1-CD2 4.36Å; L410-F414 HydrophobicContact CD2-CD2 4.11Å; L410-F414 HydrophobicContact CD2-CE2 4.03Å; Y412-F414 HydrophobicContact CD2-CD2 4.44Å; Y412-F414 HydrophobicContact CD2-CE2 4.24Å; Y412-F414 HydrophobicContact CE1-CE2 4.37Å; Y412-F414 HydrophobicContact CE2-CD2 4.01Å; Y412-F414 HydrophobicContact CE2-CE1 4.13Å; Y412-F414 AromaticContact CE2-CE2 3.53Å; Y412-F414 HydrophobicContact CE2-CE2 3.53Å; Y412-F414 HydrophobicContact CE2-CG 4.49Å; Y412-F414 AromaticContact CE2-CZ 3.59Å; Y412-F414 HydrophobicContact CE2-CZ 3.59Å; Y412-F414 AromaticContact CZ-CE2 3.62Å; Y412-F414 AromaticContact CZ-CZ 3.49Å; Y412-F414 VanDerWaalsContact CZ-CZ 3.49Å; Y412-F414 WeakPolarHBondContact OH-CZ 3.49Å; F414-Q432 WeakPolarHBondContact O-CA 3.44Å; F414-L433 HydrophobicContact CB-CB 4.1Å; F414-L433 HydrophobicContact CB-CD2 4.38Å; F414-L433 PolarHBondContact N-O 3.32Å; F414-L433 PolarHBondContact O-N 2.8Å
415	C	96.2	Very high	93	Very high	7 Å²	7	18.5 Å²	18.5	5%	0.047	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	135.9	178.6	-72.6	0	0	0	0	112.1	L276 P278 F431 Q432	L276-C415 HydrophobicContact CB-CB 3.82Å; P278-C415 VanDerWaalsContact CA-SG 3.56Å; C415-F431 VanDerWaalsContact CA-O 3.3Å; C415-F431 WeakPolarHBondContact CA-O 3.38Å; C415-Q432 VanDerWaalsContact SG-CG 3.57Å
416	V	96.4	Very high	93.2	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.006	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	152.9	173.2	-61.6	0	0	0	0	110.2	A391 W394 A395 F431	A391-V416 HydrophobicContact CB-CG2 3.95Å; W394-V416 HydrophobicContact CD2-CB 4.5Å; W394-V416 HydrophobicContact CD2-CG1 4.21Å; W394-V416 HydrophobicContact CE3-CB 3.69Å; W394-V416 HydrophobicContact CE3-CG1 3.88Å; W394-V416 HydrophobicContact CE3-CG2 4.11Å; W394-V416 HydrophobicContact CZ3-CB 3.97Å; W394-V416 HydrophobicContact CZ3-CG1 4.34Å; A395-V416 HydrophobicContact CB-CG1 4.06Å; A395-V416 HydrophobicContact CB-CG2 4.15Å; V416-F431 HydrophobicContact CG2-CB 3.87Å; V416-F431 HydrophobicContact CG2-CD1 4.29Å; V416-F431 HydrophobicContact CG2-CG 4.48Å; V416-F431 PolarHBondContact N-O 3.48Å; V416-F431 PolarHBondContact O-N 3.17Å
417	Q	96.6	Very high	93.5	Very high	3 Å²	3	18.9 Å²	18.9	1%	0.014	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	137	175.4	-57.9	-179.8	85.3	0	0	110	L276 L349 L350 G351 L429 R430 A486 H489	L276-Q417 HydrophobicContact CD1-CG 3.77Å; L349-Q417 PolarHBondContact O-N 3.07Å; L350-Q417 WeakPolarHBondContact CA-O 3.43Å; L350-Q417 HydrophobicContact CD1-CB 3.87Å; G351-Q417 PolarHBondContact N-O 3.42Å; Q417-L429 CarbonylContact C-O 3.52Å; Q417-L429 WeakPolarHBondContact CA-O 3.43Å; Q417-R430 HydrophobicContact CG-CG 4.06Å; Q417-A486 PolarHBondContact NE2-O 3.28Å; Q417-H489 VanDerWaalsContact NE2-CB 3.27Å
418	L	97.7	Very high	93.7	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	132.2	173.6	-62.3	-176.6	0	0	0	110.2	L266 G351 G387 T390 A391 W394 L420 L429	L266-L418 HydrophobicContact CD2-CD2 3.73Å; G351-L418 CarbonylContact O-C 3.58Å; G351-L418 VanDerWaalsContact O-CA 3.32Å; G351-L418 WeakPolarHBondContact O-CA 3.44Å; G387-L418 WeakPolarHBondContact O-CD1 3.2Å; T390-L418 HydrophobicContact CG2-CD1 3.91Å; A391-L418 HydrophobicContact CB-CD1 3.75Å; A391-L418 HydrophobicContact CB-CG 4.27Å; W394-L418 HydrophobicContact CE3-CD2 3.78Å; W394-L418 HydrophobicContact CZ3-CD2 3.73Å; L418-L420 HydrophobicContact CB-CD2 4.15Å; L418-L429 HydrophobicContact CB-CB 4.35Å; L418-L429 HydrophobicContact CD1-CD2 4.37Å; L418-L429 PolarHBondContact N-O 3.48Å; L418-L429 PolarHBondContact O-N 3.34Å
419	I	97.4	Very high	94	Very high	4 Å²	4	17.9 Å²	17.9	2%	0.021	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	116.2	160	-63.5	158.9	0	0	0	106.9	M192 L350 G351 V352 L353 M421 I426 Q427 L428 L483	M192-I419 HydrophobicContact CE-CD1 3.68Å; M192-I419 HydrophobicContact SD-CD1 4Å; L350-I419 HydrophobicContact CD1-CD1 3.97Å; L350-I419 HydrophobicContact CD1-CG1 3.98Å; L350-I419 HydrophobicContact CD2-CD1 3.92Å; L350-I419 HydrophobicContact CG-CD1 4.23Å; G351-I419 PolarHBondContact O-N 3.13Å; V352-I419 WeakPolarHBondContact CA-O 3.16Å; V352-I419 HydrophobicContact CG2-CB 4.19Å; V352-I419 HydrophobicContact CG2-CD1 4.38Å; L353-I419 PolarHBondContact N-O 3.34Å; I419-M421 HydrophobicContact CG2-CE 3.98Å; I419-M421 HydrophobicContact CG2-CG 3.77Å; I419-M421 PolarHBondContact O-N 3.11Å; I419-I426 HydrophobicContact CG2-CB 4.24Å; I419-I426 HydrophobicContact CG2-CG2 4.42Å; I419-Q427 WeakPolarHBondContact CA-O 3.39Å; I419-L428 HydrophobicContact CG1-CD1 4.38Å; I419-L483 HydrophobicContact CD1-CD2 3.58Å; I419-L483 HydrophobicContact CG1-CD2 4.5Å
420	L	97.2	Very high	94.3	Very high	2 Å²	2	16.8 Å²	16.8	1%	0.01	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	106.6	172.2	-47.2	-179.9	0	0	0	107.4	L353 L355 L418 I426 Q427 L429	L353-L420 HydrophobicContact CB-CD2 4.07Å; L353-L420 HydrophobicContact CD2-CD2 4Å; L355-L420 HydrophobicContact CD1-CB 3.82Å; L355-L420 HydrophobicContact CG-CB 4.29Å; L418-L420 HydrophobicContact CB-CD2 4.15Å; L420-I426 WeakPolarHBondContact O-CA 3.28Å; L420-Q427 HydrophobicContact CB-CB 4.23Å; L420-Q427 PolarHBondContact N-O 3.21Å; L420-Q427 PolarHBondContact O-N 2.85Å; L420-L429 HydrophobicContact CD1-CB 4.29Å; L420-L429 HydrophobicContact CG-CB 4.3Å
421	M	95	Very high	94.5	Very high	9 Å²	9	16.4 Å²	16.4	4%	0.044	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	114.6	179	-74.9	-160.5	178.4	0	0	110.1	I188 I191 M192 V352 L353 L355 I419 I426	I188-M421 HydrophobicContact CB-SD 4.31Å; I188-M421 HydrophobicContact CD1-CB 4.42Å; I188-M421 HydrophobicContact CG1-SD 3.82Å; I188-M421 HydrophobicContact CG2-SD 3.92Å; I191-M421 HydrophobicContact CG2-CE 4.23Å; M192-M421 HydrophobicContact CG-CE 4.24Å; M192-M421 HydrophobicContact SD-CE 3.63Å; V352-M421 HydrophobicContact CG1-CB 4.11Å; V352-M421 HydrophobicContact CG1-CE 4.18Å; V352-M421 HydrophobicContact CG1-CG 3.59Å; V352-M421 HydrophobicContact CG1-SD 3.77Å; L353-M421 PolarHBondContact O-N 2.8Å; L355-M421 PolarHBondContact N-O 3.07Å; I419-M421 HydrophobicContact CG2-CE 3.98Å; I419-M421 HydrophobicContact CG2-CG 3.77Å; I419-M421 PolarHBondContact O-N 3.11Å; M421-I426 HydrophobicContact CE-CG2 4.4Å; M421-I426 HydrophobicContact CG-CG2 4.22Å
422	D	90.5	Very high	94.7	Very high	6 Å²	6	13 Å²	13	3%	0.032	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	75.7	172.8	-174.6	9.1	0	0	0	110.3	L355 N356 R362 N424 Y425 R457	L355-D422 HydrophobicContact CB-CB 4.29Å; L355-D422 HydrophobicContact CD1-CB 4.21Å; N356-D422 PolarHBondContact OD1-OD1 3.43Å; R362-D422 IonicContact CZ-OD1 3.47Å; R362-D422 IonicContact CZ-OD2 3.03Å; R362-D422 IonicContact NE-OD1 2.67Å; R362-D422 IonicContact NH1-OD1 3.2Å; R362-D422 PolarHBondContact NH1-OD1 3.4Å; R362-D422 IonicContact NH1-OD2 3.59Å; R362-D422 PolarHBondContact NH1-OD2 3.08Å; R362-D422 VanDerWaalsContact NH2-CG 3.34Å; R362-D422 IonicContact NH2-OD1 2.8Å; R362-D422 PolarHBondContact NH2-OD1 3.45Å; R362-D422 IonicContact NH2-OD2 3.7Å; R362-D422 PolarHBondContact NH2-OD2 3.4Å; D422-N424 PolarHBondContact O-N 3.01Å; D422-Y425 PolarHBondContact N-O 3.25Å; D422-Y425 PolarHBondContact O-N 2.85Å; D422-R457 IonicContact OD2-CZ 3.52Å; D422-R457 IonicContact OD2-NE 3.73Å; D422-R457 IonicContact OD2-NH2 2.71Å; D422-R457 PolarHBondContact OD2-NH2 2.9Å
423	G	84.2	Confident	94.9	Very high	42 Å²	42	11.5 Å²	11.5	43%	0.433	7%	0.065	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.7	-89.7	170.8	0	0	0	0	0	111.3	N356	N356-G423 WeakPolarHBondContact ND2-CA 3.41Å; N356-G423 PolarHBondContact ND2-N 2.91Å
424	N	86.7	Confident	95	Very high	40 Å²	40	11 Å²	11	21%	0.214	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110	-3	172.2	-163.3	33.8	0	0	0	112.6	D422 E459 L460 C461	D422-N424 PolarHBondContact O-N 3.01Å; N424-E459 VanDerWaalsContact ND2-CG 3.33Å; N424-E459 WeakPolarHBondContact ND2-CG 3.39Å; N424-E459 PolarHBondContact ND2-OE1 3.29Å; N424-L460 VanDerWaalsContact O-CB 3.26Å; N424-L460 WeakPolarHBondContact O-CB 3.24Å; N424-L460 PolarHBondContact O-N 3.48Å; N424-C461 PolarHBondContact ND2-O 3Å; N424-C461 PolarHBondContact OD1-SG 3.23Å
425	Y	92.7	Very high	95	Very high	86 Å²	86	11 Å²	11	34%	0.337	6%	0.061	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	143.7	178.1	-66	-93.1	0	0	0	110.2	D422 R457 V458 E459	D422-Y425 PolarHBondContact N-O 3.25Å; D422-Y425 PolarHBondContact O-N 2.85Å; Y425-R457 HydrophobicContact CD1-CG 4.08Å; Y425-R457 HydrophobicContact CG-CG 4.27Å; Y425-V458 CarbonylContact C-O 3.53Å; Y425-V458 VanDerWaalsContact CA-O 3.27Å; Y425-V458 WeakPolarHBondContact CA-O 3.31Å; Y425-E459 HydrophobicContact CD1-CB 4.1Å; Y425-E459 HydrophobicContact CE1-CB 3.87Å; Y425-E459 HydrophobicContact CE1-CG 4.39Å
426	I	94.6	Very high	94.8	Very high	4 Å²	4	10.6 Å²	10.6	2%	0.021	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	148.6	172.9	67.8	165.4	0	0	0	110	I419 L420 M421 V458 L460 A479 L482 L483	I419-I426 HydrophobicContact CG2-CB 4.24Å; I419-I426 HydrophobicContact CG2-CG2 4.42Å; L420-I426 WeakPolarHBondContact O-CA 3.28Å; M421-I426 HydrophobicContact CE-CG2 4.4Å; M421-I426 HydrophobicContact CG-CG2 4.22Å; I426-V458 HydrophobicContact CD1-CG2 4.4Å; I426-V458 HydrophobicContact CG1-CG2 3.71Å; I426-V458 PolarHBondContact N-O 3.42Å; I426-V458 PolarHBondContact O-N 3.11Å; I426-L460 HydrophobicContact CD1-CD1 4.33Å; I426-L460 HydrophobicContact CG2-CB 4.33Å; I426-L460 HydrophobicContact CG2-CD2 4.4Å; I426-A479 HydrophobicContact CD1-CB 3.66Å; I426-A479 HydrophobicContact CG1-CB 4.1Å; I426-L482 HydrophobicContact CD1-CB 4.33Å; I426-L482 HydrophobicContact CD1-CD1 4.36Å; I426-L482 HydrophobicContact CG1-CD1 4.34Å; I426-L483 HydrophobicContact CD1-CD1 4.37Å; I426-L483 HydrophobicContact CD1-CD2 4.28Å; I426-L483 HydrophobicContact CD1-CG 3.97Å
427	Q	95.3	Very high	94.6	Very high	7 Å²	7	10.6 Å²	10.6	3%	0.033	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	135.6	173.5	-172.7	177.1	21.8	0	0	108.2	I419 L420 S455 R457	I419-Q427 WeakPolarHBondContact CA-O 3.39Å; L420-Q427 HydrophobicContact CB-CB 4.23Å; L420-Q427 PolarHBondContact N-O 3.21Å; L420-Q427 PolarHBondContact O-N 2.85Å; Q427-S455 VanDerWaalsContact CG-O 3.22Å; Q427-S455 WeakPolarHBondContact CG-O 3.49Å; Q427-S455 PolarHBondContact NE2-O 2.94Å; Q427-R457 HydrophobicContact CB-CB 4.48Å
428	L	96.5	Very high	94.4	Very high	2 Å²	2	10.5 Å²	10.5	1%	0.01	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	126	177.6	-179.9	61.1	0	0	0	109.2	W136 I419 R430 Y454 S455 A486	W136-L428 HydrophobicContact CZ3-CD2 4.18Å; I419-L428 HydrophobicContact CG1-CD1 4.38Å; L428-R430 HydrophobicContact CG-CG 4.4Å; L428-Y454 WeakPolarHBondContact O-CA 3.47Å; L428-S455 PolarHBondContact N-OG 3.32Å; L428-S455 PolarHBondContact O-N 3.5Å; L428-A486 HydrophobicContact CD1-CB 3.85Å; L428-A486 HydrophobicContact CD2-CB 4.35Å
429	L	97.4	Very high	94.1	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	125.1	171	-177.5	78.9	0	0	0	108.5	G387 A391 Q417 L418 L420 A452 W453	G387-L429 WeakPolarHBondContact O-CD2 3.41Å; A391-L429 HydrophobicContact CB-CD2 4.29Å; Q417-L429 CarbonylContact C-O 3.52Å; Q417-L429 WeakPolarHBondContact CA-O 3.43Å; L418-L429 HydrophobicContact CB-CB 4.35Å; L418-L429 HydrophobicContact CD1-CD2 4.37Å; L418-L429 PolarHBondContact N-O 3.48Å; L418-L429 PolarHBondContact O-N 3.34Å; L420-L429 HydrophobicContact CD1-CB 4.29Å; L420-L429 HydrophobicContact CG-CB 4.3Å; L429-A452 HydrophobicContact CD1-CB 4.37Å; L429-W453 CarbonylContact C-O 3.53Å; L429-W453 WeakPolarHBondContact CA-O 3.17Å
430	R	97	Very high	93.8	Very high	15 Å²	15	10.7 Å²	10.7	6%	0.057	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	135	169.5	-59.1	-165.6	167.4	160	-8.8	108.6	W136 H279 Q417 L428 A452 W453 S485 H489	W136-R430 HydrophobicContact CZ3-CG 4.14Å; H279-R430 VanDerWaalsContact NE2-CD 3.29Å; H279-R430 WeakPolarHBondContact NE2-CD 3.25Å; Q417-R430 HydrophobicContact CG-CG 4.06Å; L428-R430 HydrophobicContact CG-CG 4.4Å; R430-A452 CarbonylContact O-C 3.51Å; R430-A452 WeakPolarHBondContact O-CA 3.49Å; R430-W453 HydrophobicContact CB-CB 4.43Å; R430-W453 HydrophobicContact CB-CE3 4.1Å; R430-W453 PolarHBondContact N-O 3.16Å; R430-W453 PolarHBondContact O-N 3.39Å; R430-S485 PolarHBondContact NH2-O 2.5Å; R430-S485 PolarHBondContact NH2-OG 3.49Å; R430-H489 PolarHBondContact NH2-ND1 3.44Å
431	F	97.9	Very high	93.5	Very high	1 Å²	1	11.3 Å²	11.3	0%	0.004	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	137.7	-177.6	-173.5	-87.3	0	0	0	110	T131 I388 A391 F392 A395 C415 V416 L433 N450 L451 A452	T131-F431 HydrophobicContact CG2-CD2 4.43Å; T131-F431 HydrophobicContact CG2-CE2 3.74Å; I388-F431 HydrophobicContact CG2-CE2 4.42Å; A391-F431 HydrophobicContact CB-CB 3.53Å; A391-F431 HydrophobicContact CB-CD1 4.26Å; A391-F431 HydrophobicContact CB-CD2 3.92Å; A391-F431 HydrophobicContact CB-CG 3.64Å; F392-F431 HydrophobicContact CB-CE1 4.23Å; F392-F431 HydrophobicContact CB-CE2 4.16Å; F392-F431 HydrophobicContact CB-CZ 3.72Å; F392-F431 HydrophobicContact CD2-CE1 4.48Å; F392-F431 AromaticContact CD2-CZ 3.96Å; F392-F431 HydrophobicContact CD2-CZ 3.96Å; F392-F431 HydrophobicContact CG-CZ 4.35Å; A395-F431 HydrophobicContact CB-CD1 4.17Å; A395-F431 HydrophobicContact CB-CE1 4.3Å; C415-F431 VanDerWaalsContact CA-O 3.3Å; C415-F431 WeakPolarHBondContact CA-O 3.38Å; V416-F431 HydrophobicContact CG2-CB 3.87Å; V416-F431 HydrophobicContact CG2-CD1 4.29Å; V416-F431 HydrophobicContact CG2-CG 4.48Å; V416-F431 PolarHBondContact N-O 3.48Å; V416-F431 PolarHBondContact O-N 3.17Å; F431-L433 HydrophobicContact CE1-CB 3.96Å; F431-L433 HydrophobicContact CE1-CD1 4.14Å; F431-N450 HydrophobicContact CE2-CB 4.48Å; F431-N450 HydrophobicContact CZ-CB 3.86Å; F431-L451 CarbonylContact C-O 3.54Å; F431-L451 WeakPolarHBondContact CA-O 3.09Å; F431-A452 HydrophobicContact CD2-CB 3.95Å; F431-A452 HydrophobicContact CE2-CB 4.46Å
432	Q	97.3	Very high	93.1	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	114	175.8	-179.2	175.1	-46.3	0	0	109.3	F280 P413 F414 C415 N434 L451 W453	F280-Q432 PolarHBondContact O-NE2 2.96Å; P413-Q432 HydrophobicContact CB-CG 3.78Å; F414-Q432 WeakPolarHBondContact O-CA 3.44Å; C415-Q432 VanDerWaalsContact SG-CG 3.57Å; Q432-N434 VanDerWaalsContact CG-OD1 3.32Å; Q432-N434 WeakPolarHBondContact CG-OD1 3.48Å; Q432-N434 PolarHBondContact NE2-OD1 3.04Å; Q432-L451 HydrophobicContact CB-CB 4.39Å; Q432-L451 PolarHBondContact N-O 2.94Å; Q432-L451 PolarHBondContact O-N 3.22Å; Q432-W453 HydrophobicContact CB-CH2 3.91Å; Q432-W453 HydrophobicContact CB-CZ3 3.67Å
433	L	97.5	Very high	92.9	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	115.3	172.7	-171.8	75.8	0	0	0	108.8	F392 A395 A399 L410 P413 F414 F431 I436	F392-L433 HydrophobicContact CD2-CD1 3.82Å; F392-L433 HydrophobicContact CE2-CD1 3.74Å; A395-L433 HydrophobicContact CB-CB 3.89Å; A395-L433 HydrophobicContact CB-CD2 4.18Å; A399-L433 HydrophobicContact CB-CD2 4.2Å; L410-L433 HydrophobicContact CD1-CB 4.39Å; L410-L433 HydrophobicContact CD1-CD2 3.84Å; L410-L433 HydrophobicContact CD1-CG 3.77Å; L410-L433 WeakPolarHBondContact CD1-O 3.43Å; P413-L433 VanDerWaalsContact CA-O 3.24Å; P413-L433 WeakPolarHBondContact CA-O 3.45Å; F414-L433 HydrophobicContact CB-CB 4.1Å; F414-L433 HydrophobicContact CB-CD2 4.38Å; F414-L433 PolarHBondContact N-O 3.32Å; F414-L433 PolarHBondContact O-N 2.8Å; F431-L433 HydrophobicContact CE1-CB 3.96Å; F431-L433 HydrophobicContact CE1-CD1 4.14Å; L433-I436 HydrophobicContact CD1-CG1 4.39Å; L433-I436 HydrophobicContact CD2-CD1 3.92Å; L433-I436 HydrophobicContact CD2-CG1 3.87Å; L433-I436 HydrophobicContact CG-CG1 4.32Å
434	N	96.3	Very high	93.1	Very high	1 Å²	1	15.5 Å²	15.5	1%	0.005	7%	0.074	C	C	.	.			trans	-107.2	-30.3	-177.6	-72.6	-27	0	0	0	112.9	L282 C287 Q432 P448 Y449 N450	L282-N434 HydrophobicContact CD2-CB 3.81Å; L282-N434 WeakPolarHBondContact CD2-O 3.1Å; L282-N434 WeakPolarHBondContact CD2-OD1 3.49Å; C287-N434 PolarHBondContact SG-ND2 2.58Å; C287-N434 VanDerWaalsContact SG-ND2 3.39Å; Q432-N434 VanDerWaalsContact CG-OD1 3.32Å; Q432-N434 WeakPolarHBondContact CG-OD1 3.48Å; Q432-N434 PolarHBondContact NE2-OD1 3.04Å; N434-P448 HydrophobicContact CB-CB 3.93Å; N434-P448 HydrophobicContact CB-CG 3.97Å; N434-Y449 WeakPolarHBondContact CB-O 3.09Å; N434-Y449 PolarHBondContact ND2-O 3.32Å; N434-N450 PolarHBondContact N-OD1 3.21Å
435	S	94.3	Very high	93.1	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.065	C	C	.	.			trans	-150.9	138.6	177.6	172.1	0	0	0	0	111.6	E409 S438 P448 N450	E409-S435 VanDerWaalsContact CD-OG 3.31Å; E409-S435 VanDerWaalsContact OE1-CA 3.3Å; E409-S435 WeakPolarHBondContact OE1-CA 3.48Å; E409-S435 PolarHBondContact OE1-OG 2.85Å; E409-S435 PolarHBondContact OE2-OG 3Å; S435-S438 WeakPolarHBondContact CB-OG 3.19Å; S435-S438 WeakPolarHBondContact OG-CB 3.31Å; S435-S438 PolarHBondContact OG-N 3.36Å; S435-S438 PolarHBondContact OG-OG 3.45Å; S435-P448 WeakPolarHBondContact CB-O 3.24Å; S435-N450 PolarHBondContact N-OD1 3.45Å; S435-N450 VanDerWaalsContact N-OD1 3.15Å; S435-N450 PolarHBondContact O-ND2 2.65Å; S435-N450 PolarHBondContact O-OD1 2.93Å
436	I	93.1	Very high	92.8	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.08	C	C	.	.	S	Bend	trans	-105	-36.2	169.6	-58.5	175.7	0	0	0	110	A399 Y400 L406 E409 L410 L433 S438 L439	A399-I436 HydrophobicContact CB-CD1 3.77Å; Y400-I436 HydrophobicContact CD1-CD1 4.29Å; Y400-I436 HydrophobicContact CE1-CD1 4.04Å; Y400-I436 HydrophobicContact CE1-CG2 4.26Å; L406-I436 HydrophobicContact CD2-CG2 3.91Å; E409-I436 PolarHBondContact OE1-N 2.46Å; L410-I436 HydrophobicContact CD1-CG1 4.35Å; L410-I436 HydrophobicContact CD2-CD1 3.91Å; L410-I436 HydrophobicContact CD2-CG1 4.33Å; L410-I436 HydrophobicContact CG-CD1 4.47Å; L410-I436 HydrophobicContact CG-CG1 4.34Å; L433-I436 HydrophobicContact CD1-CG1 4.39Å; L433-I436 HydrophobicContact CD2-CD1 3.92Å; L433-I436 HydrophobicContact CD2-CG1 3.87Å; L433-I436 HydrophobicContact CG-CG1 4.32Å; I436-S438 PolarHBondContact O-N 2.78Å; I436-L439 WeakPolarHBondContact O-CG 3.39Å; I436-L439 PolarHBondContact O-N 3.14Å
437	T	92.1	Very high	92.7	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.006	8%	0.082	C	C	.	.	G	3₁₀ helix	trans	-72.5	-19.5	-175.4	82.5	0	0	0	0	112.8	L406 E409 L439 W440 K441	L406-T437 WeakPolarHBondContact O-CB 3.3Å; L406-T437 VanDerWaalsContact O-CG2 3.31Å; L406-T437 WeakPolarHBondContact O-CG2 3.15Å; E409-T437 HydrophobicContact CB-CG2 3.75Å; E409-T437 HydrophobicContact CG-CG2 4.35Å; E409-T437 WeakPolarHBondContact OE2-CB 3.06Å; E409-T437 PolarHBondContact OE2-N 3.41Å; E409-T437 PolarHBondContact OE2-OG1 2.9Å; T437-L439 PolarHBondContact O-N 3.5Å; T437-W440 PolarHBondContact O-NE1 3.03Å; T437-K441 WeakPolarHBondContact O-CD 3.4Å; T437-K441 WeakPolarHBondContact O-CG 3.23Å; T437-K441 PolarHBondContact OG1-NZ 3.49Å
438	S	91.4	Very high	92.6	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.007	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-66.5	-16.6	176.5	61.5	0	0	0	0	114.6	R130 S435 I436 W440	R130-S438 PolarHBondContact NH1-OG 2.9Å; S435-S438 WeakPolarHBondContact CB-OG 3.19Å; S435-S438 WeakPolarHBondContact OG-CB 3.31Å; S435-S438 PolarHBondContact OG-N 3.36Å; S435-S438 PolarHBondContact OG-OG 3.45Å; I436-S438 PolarHBondContact O-N 2.78Å; S438-W440 VanDerWaalsContact C-N 3.33Å; S438-W440 PolarHBondContact O-N 3.11Å
439	L	92.3	Very high	92.5	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.086	C	C	.	.	G	3₁₀ helix	trans	-65.6	-35.6	-176	-61.8	171.8	0	0	0	112.6	R130 L225 K226 R227 L228 F392 I436 T437	R130-L439 HydrophobicContact CB-CD2 3.84Å; L225-L439 HydrophobicContact CB-CD1 4.23Å; K226-L439 VanDerWaalsContact O-CB 3.29Å; K226-L439 WeakPolarHBondContact O-CB 2.96Å; R227-L439 CarbonylContact C-O 3.54Å; R227-L439 WeakPolarHBondContact CA-O 3.13Å; R227-L439 WeakPolarHBondContact CD-O 3.44Å; R227-L439 PolarHBondContact NH1-O 3.08Å; L228-L439 PolarHBondContact N-O 2.96Å; F392-L439 HydrophobicContact CE2-CD1 4.23Å; F392-L439 HydrophobicContact CZ-CD1 3.73Å; I436-L439 WeakPolarHBondContact O-CG 3.39Å; I436-L439 PolarHBondContact O-N 3.14Å; T437-L439 PolarHBondContact O-N 3.5Å
440	W	90.2	Very high	92.5	Very high	7 Å²	7	17.1 Å²	17.1	3%	0.027	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.1	-8.7	-178.3	60.6	-92	0	0	0	114.2	W69 I76 R80 K226 L406 Y407 T437 S438	W69-W440 HydrophobicContact CE3-CH2 4.32Å; W69-W440 HydrophobicContact CE3-CZ3 4.49Å; W69-W440 AromaticContact CH2-CH2 3.97Å; W69-W440 HydrophobicContact CH2-CH2 3.97Å; W69-W440 AromaticContact CZ3-CH2 3.43Å; W69-W440 HydrophobicContact CZ3-CH2 3.43Å; W69-W440 VanDerWaalsContact CZ3-CH2 3.43Å; W69-W440 AromaticContact CZ3-CZ3 3.82Å; W69-W440 HydrophobicContact CZ3-CZ3 3.82Å; I76-W440 HydrophobicContact CG2-CZ3 4.31Å; R80-W440 HydrophobicContact CB-CH2 3.46Å; R80-W440 VanDerWaalsContact CB-CH2 3.46Å; R80-W440 HydrophobicContact CB-CZ2 4.28Å; R80-W440 HydrophobicContact CB-CZ3 3.74Å; R80-W440 HydrophobicContact CG-CE3 4.45Å; R80-W440 HydrophobicContact CG-CH2 4.02Å; R80-W440 HydrophobicContact CG-CZ3 3.81Å; K226-W440 HydrophobicContact CD-CB 4.2Å; K226-W440 HydrophobicContact CG-CB 3.97Å; K226-W440 HydrophobicContact CG-CG 4.47Å; L406-W440 PolarHBondContact O-NE1 2.9Å; Y407-W440 HydrophobicContact CD1-CH2 4.19Å; Y407-W440 AromaticContact CD1-CZ2 3.61Å; Y407-W440 HydrophobicContact CD1-CZ2 3.61Å; Y407-W440 HydrophobicContact CE1-CH2 4.42Å; Y407-W440 HydrophobicContact CE1-CZ2 4.01Å; T437-W440 PolarHBondContact O-NE1 3.03Å; S438-W440 VanDerWaalsContact C-N 3.33Å; S438-W440 PolarHBondContact O-N 3.11Å
441	K	91.2	Very high	92.5	Very high	16 Å²	16	16.4 Å²	16.4	7%	0.07	8%	0.083	C	C	.	.	S	Bend	trans	-79.9	159.7	172.5	-72.7	172.5	176.8	177.1	0	110.3	Q68 L228 T437 L447	Q68-K441 PolarHBondContact O-NZ 2.93Å; Q68-K441 VanDerWaalsContact O-NZ 3.09Å; L228-K441 WeakPolarHBondContact CD2-O 3.48Å; T437-K441 WeakPolarHBondContact O-CD 3.4Å; T437-K441 WeakPolarHBondContact O-CG 3.23Å; T437-K441 PolarHBondContact OG1-NZ 3.49Å; K441-L447 HydrophobicContact CD-CD1 3.41Å; K441-L447 VanDerWaalsContact CD-CD1 3.41Å
442	A	87.5	Confident	92.5	Very high	8 Å²	8	16.3 Å²	16.3	7%	0.066	8%	0.083	C	C	.	.			trans	-59.4	147.6	172.2	0	0	0	0	0	111.7	S71 T72 D444 S445	S71-A442 VanDerWaalsContact OG-CB 3.27Å; S71-A442 WeakPolarHBondContact OG-CB 3.4Å; T72-A442 PolarHBondContact OG1-N 3.44Å; A442-D444 WeakPolarHBondContact CB-OD1 3.48Å; A442-D444 PolarHBondContact O-N 2.9Å; A442-S445 WeakPolarHBondContact O-CB 3.36Å; A442-S445 PolarHBondContact O-N 3.15Å; A442-S445 PolarHBondContact O-OG 3.01Å
443	E	86.6	Confident	92.4	Very high	56 Å²	56	17.1 Å²	17.1	26%	0.262	9%	0.086	S	C	.	.	G	3₁₀ helix	trans	-62.2	-29.7	-177.4	-69	-62.1	152.5	0	0	112.9	R130 R227 P292 S445 Y449	R130-E443 IonicContact CZ-OE2 3.13Å; R130-E443 IonicContact NE-OE2 3.32Å; R130-E443 PolarHBondContact NE-OE2 3.01Å; R130-E443 IonicContact NH2-OE2 2.8Å; R227-E443 IonicContact CZ-OE1 3.46Å; R227-E443 VanDerWaalsContact CZ-OE1 3.25Å; R227-E443 IonicContact NH1-OE1 2.84Å; R227-E443 PolarHBondContact NH1-OE1 3.41Å; R227-E443 IonicContact NH2-OE1 2.76Å; R227-E443 PolarHBondContact NH2-OE1 3Å; P292-E443 HydrophobicContact CB-CB 4.4Å; P292-E443 HydrophobicContact CB-CG 4.15Å; E443-S445 PolarHBondContact O-N 3.16Å; E443-Y449 PolarHBondContact OE2-OH 2.63Å
444	D	87.3	Confident	92.3	Very high	81 Å²	81	20 Å²	20	43%	0.433	10%	0.097	S	C	.	.	G	3₁₀ helix	trans	-78.2	10.3	175.4	72.3	-33	0	0	0	113.2	S71 A442 M446	S71-D444 WeakPolarHBondContact CB-OD1 3.07Å; S71-D444 WeakPolarHBondContact CB-OD2 3.45Å; S71-D444 PolarHBondContact N-OD1 2.91Å; S71-D444 PolarHBondContact N-OD2 2.82Å; S71-D444 PolarHBondContact OG-OD1 3.45Å; S71-D444 PolarHBondContact OG-OD2 3.17Å; A442-D444 WeakPolarHBondContact CB-OD1 3.48Å; A442-D444 PolarHBondContact O-N 2.9Å; D444-M446 PolarHBondContact O-N 2.97Å
445	S	86.5	Confident	92.3	Very high	3 Å²	3	20 Å²	20	2%	0.021	10%	0.097	C	C	.	.	G	3₁₀ helix	trans	-67.7	-7.1	172.5	60.5	0	0	0	0	113.6	Q68 A442 E443 L447	Q68-S445 WeakPolarHBondContact CB-O 3.46Å; A442-S445 WeakPolarHBondContact O-CB 3.36Å; A442-S445 PolarHBondContact O-N 3.15Å; A442-S445 PolarHBondContact O-OG 3.01Å; E443-S445 PolarHBondContact O-N 3.16Å; S445-L447 PolarHBondContact O-N 3.14Å
446	M	87.4	Confident	92.2	Very high	134 Å²	134	23.4 Å²	23.4	66%	0.66	12%	0.12	S	C	*	.			trans	58.3	27	178.7	-58.6	-66.8	-75	0	0	113.6	Q68 F288 D444	Q68-M446 PolarHBondContact OE1-O 3.5Å; F288-M446 VanDerWaalsContact CE1-O 3.31Å; F288-M446 WeakPolarHBondContact CE1-O 3.48Å; D444-M446 PolarHBondContact O-N 2.97Å
447	L	91	Very high	92.3	Very high	11 Å²	11	26 Å²	26	6%	0.058	13%	0.129	C	C	.	.	P	Polyproline II helix	trans	-85.1	146.3	174.2	-73.1	167.9	0	0	0	111.4	Q68 R130 K441 S445	Q68-L447 HydrophobicContact CB-CD2 4.24Å; Q68-L447 HydrophobicContact CB-CG 4.37Å; Q68-L447 VanDerWaalsContact OE1-CD2 3.26Å; R130-L447 PolarHBondContact NH1-O 2.98Å; R130-L447 PolarHBondContact NH2-O 2.96Å; K441-L447 HydrophobicContact CD-CD1 3.41Å; K441-L447 VanDerWaalsContact CD-CD1 3.41Å; S445-L447 PolarHBondContact O-N 3.14Å
448	P	93.8	Very high	92.3	Very high	13 Å²	13	26.7 Å²	26.7	8%	0.084	13%	0.133	C	C	.	.	P	Polyproline II helix	trans	-66	144.7	-175.3	28.2	-35.4	0	0	0	112	R130 C287 F288 N434 S435	R130-P448 PolarHBondContact NH1-O 2.68Å; C287-P448 HydrophobicContact CB-CB 3.78Å; F288-P448 HydrophobicContact CE1-CB 4.13Å; F288-P448 HydrophobicContact CZ-CB 4.22Å; N434-P448 HydrophobicContact CB-CB 3.93Å; N434-P448 HydrophobicContact CB-CG 3.97Å; S435-P448 WeakPolarHBondContact CB-O 3.24Å
449	Y	95	Very high	92.3	Very high	11 Å²	11	29 Å²	29	4%	0.043	14%	0.144	C	C	.	.	P	Polyproline II helix	trans	-77.1	150	170.3	-76.5	-98.2	0	0	0	110.5	R130 C287 L289 I293 N434 E443	R130-Y449 HydrophobicContact CB-CD1 4.49Å; R130-Y449 HydrophobicContact CG-CD1 3.4Å; R130-Y449 VanDerWaalsContact CG-CD1 3.4Å; R130-Y449 HydrophobicContact CG-CE1 3.39Å; R130-Y449 HydrophobicContact CG-CG 4.31Å; R130-Y449 VanDerWaalsContact NH2-CE2 3.32Å; C287-Y449 WeakPolarHBondContact O-CB 3.32Å; C287-Y449 PolarHBondContact O-N 2.8Å; L289-Y449 HydrophobicContact CB-CD2 4.02Å; L289-Y449 HydrophobicContact CB-CE2 3.78Å; L289-Y449 HydrophobicContact CD1-CD1 3.7Å; L289-Y449 HydrophobicContact CD1-CD2 3.98Å; L289-Y449 HydrophobicContact CD1-CE1 3.87Å; L289-Y449 HydrophobicContact CD1-CE2 4.12Å; L289-Y449 HydrophobicContact CD1-CG 3.78Å; L289-Y449 HydrophobicContact CG-CD2 4.19Å; L289-Y449 HydrophobicContact CG-CE2 4.36Å; L289-Y449 HydrophobicContact CG-CG 4.39Å; I293-Y449 HydrophobicContact CD1-CD1 4.09Å; I293-Y449 HydrophobicContact CD1-CE1 4.15Å; I293-Y449 HydrophobicContact CG1-CE1 4.3Å; N434-Y449 WeakPolarHBondContact CB-O 3.09Å; N434-Y449 PolarHBondContact ND2-O 3.32Å; E443-Y449 PolarHBondContact OE2-OH 2.63Å
450	N	96.8	Very high	92.2	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	149.1	168.6	-61.2	-40.3	0	0	0	109.3	T129 R130 T131 K132 F431 N434 S435	T129-N450 PolarHBondContact O-ND2 2.87Å; R130-N450 PolarHBondContact O-N 3.04Å; T131-N450 CarbonylContact C-O 3.56Å; T131-N450 WeakPolarHBondContact CA-O 2.82Å; T131-N450 HydrophobicContact CG2-CB 4.49Å; K132-N450 PolarHBondContact N-O 3.15Å; F431-N450 HydrophobicContact CE2-CB 4.48Å; F431-N450 HydrophobicContact CZ-CB 3.86Å; N434-N450 PolarHBondContact N-OD1 3.21Å; S435-N450 PolarHBondContact N-OD1 3.45Å; S435-N450 VanDerWaalsContact N-OD1 3.15Å; S435-N450 PolarHBondContact O-ND2 2.65Å; S435-N450 PolarHBondContact O-OD1 2.93Å
451	L	97.1	Very high	92	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	137.9	-176.3	-57.8	179.8	0	0	0	110.2	K132 I134 F280 I286 F431 Q432 W453	K132-L451 HydrophobicContact CB-CD2 3.86Å; K132-L451 HydrophobicContact CD-CD2 3.91Å; K132-L451 HydrophobicContact CG-CD2 4.34Å; I134-L451 HydrophobicContact CD1-CD2 4.34Å; F280-L451 HydrophobicContact CD2-CD1 4.26Å; I286-L451 HydrophobicContact CG2-CD1 4.16Å; I286-L451 HydrophobicContact CG2-CD2 4.48Å; F431-L451 CarbonylContact C-O 3.54Å; F431-L451 WeakPolarHBondContact CA-O 3.09Å; Q432-L451 HydrophobicContact CB-CB 4.39Å; Q432-L451 PolarHBondContact N-O 2.94Å; Q432-L451 PolarHBondContact O-N 3.22Å; L451-W453 HydrophobicContact CB-CH2 3.4Å; L451-W453 VanDerWaalsContact CB-CH2 3.4Å; L451-W453 HydrophobicContact CB-CZ2 3.71Å; L451-W453 HydrophobicContact CB-CZ3 3.86Å; L451-W453 HydrophobicContact CD1-CH2 3.62Å; L451-W453 HydrophobicContact CD1-CZ2 3.57Å; L451-W453 HydrophobicContact CG-CH2 4.15Å; L451-W453 HydrophobicContact CG-CZ2 4.26Å
452	A	97.4	Very high	91.5	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	122.2	172.7	0	0	0	0	0	110.2	T131 K132 L133 I134 I388 L429 R430 F431	T131-A452 HydrophobicContact CG2-CB 3.58Å; K132-A452 PolarHBondContact O-N 3.49Å; L133-A452 CarbonylContact C-O 3.57Å; L133-A452 WeakPolarHBondContact CA-O 3.5Å; L133-A452 HydrophobicContact CD1-CB 3.93Å; I134-A452 PolarHBondContact N-O 2.87Å; I388-A452 HydrophobicContact CG1-CB 4.25Å; L429-A452 HydrophobicContact CD1-CB 4.37Å; R430-A452 CarbonylContact O-C 3.51Å; R430-A452 WeakPolarHBondContact O-CA 3.49Å; F431-A452 HydrophobicContact CD2-CB 3.95Å; F431-A452 HydrophobicContact CE2-CB 4.46Å
453	W	96.3	Very high	90.8	Very high	17 Å²	17	38 Å²	38	6%	0.064	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	133.9	173	-58.4	-91.3	0	0	0	110.1	I134 W136 H279 F280 L429 R430 Q432 L451	I134-W453 HydrophobicContact CB-CG 4.39Å; I134-W453 HydrophobicContact CD1-CZ2 4.45Å; I134-W453 VanDerWaalsContact O-CA 3.27Å; I134-W453 WeakPolarHBondContact O-CA 3.44Å; W136-W453 HydrophobicContact CB-CB 4.04Å; W136-W453 HydrophobicContact CB-CG 4.46Å; W136-W453 HydrophobicContact CD2-CB 4.43Å; W136-W453 HydrophobicContact CE3-CB 4.09Å; W136-W453 HydrophobicContact CG-CB 4.45Å; H279-W453 HydrophobicContact CB-CH2 3.79Å; H279-W453 HydrophobicContact CB-CZ2 4.2Å; H279-W453 HydrophobicContact CB-CZ3 4.23Å; H279-W453 AromaticContact CD2-CE3 3.88Å; H279-W453 AromaticContact CD2-CH2 3.96Å; H279-W453 AromaticContact CD2-CZ3 3.48Å; H279-W453 VanDerWaalsContact CD2-CZ3 3.48Å; H279-W453 WeakPolarHBondContact CD2-CZ3 3.31Å; F280-W453 AromaticContact CD2-CH2 3.96Å; F280-W453 HydrophobicContact CD2-CH2 3.96Å; F280-W453 AromaticContact CD2-CZ2 3.5Å; F280-W453 HydrophobicContact CD2-CZ2 3.5Å; F280-W453 VanDerWaalsContact CD2-CZ2 3.5Å; F280-W453 HydrophobicContact CE2-CH2 4.29Å; F280-W453 AromaticContact CE2-CZ2 3.46Å; F280-W453 HydrophobicContact CE2-CZ2 3.46Å; F280-W453 VanDerWaalsContact CE2-CZ2 3.46Å; L429-W453 CarbonylContact C-O 3.53Å; L429-W453 WeakPolarHBondContact CA-O 3.17Å; R430-W453 HydrophobicContact CB-CB 4.43Å; R430-W453 HydrophobicContact CB-CE3 4.1Å; R430-W453 PolarHBondContact N-O 3.16Å; R430-W453 PolarHBondContact O-N 3.39Å; Q432-W453 HydrophobicContact CB-CH2 3.91Å; Q432-W453 HydrophobicContact CB-CZ3 3.67Å; L451-W453 HydrophobicContact CB-CH2 3.4Å; L451-W453 VanDerWaalsContact CB-CH2 3.4Å; L451-W453 HydrophobicContact CB-CZ2 3.71Å; L451-W453 HydrophobicContact CB-CZ3 3.86Å; L451-W453 HydrophobicContact CD1-CH2 3.62Å; L451-W453 HydrophobicContact CD1-CZ2 3.57Å; L451-W453 HydrophobicContact CG-CH2 4.15Å; L451-W453 HydrophobicContact CG-CZ2 4.26Å
454	Y	95.9	Very high	89.7	Confident	60 Å²	60	40 Å²	40	24%	0.235	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	137.3	177.8	69.8	-81.3	0	0	0	111.3	L133 I134 P135 W136 I384 L428	L133-Y454 HydrophobicContact CD1-CD1 3.44Å; L133-Y454 VanDerWaalsContact CD1-CD1 3.44Å; L133-Y454 HydrophobicContact CD1-CE1 3.89Å; L133-Y454 HydrophobicContact CD1-CG 4.4Å; L133-Y454 HydrophobicContact CD2-CD1 4.15Å; L133-Y454 HydrophobicContact CD2-CE1 3.78Å; L133-Y454 HydrophobicContact CG-CD1 3.69Å; L133-Y454 HydrophobicContact CG-CE1 3.56Å; I134-Y454 WeakPolarHBondContact O-CD1 3.39Å; I134-Y454 PolarHBondContact O-N 3.13Å; I134-Y454 VanDerWaalsContact O-N 3.17Å; P135-Y454 HydrophobicContact CB-CE1 3.92Å; P135-Y454 HydrophobicContact CB-CE2 4.37Å; W136-Y454 PolarHBondContact N-O 3.46Å; I384-Y454 HydrophobicContact CD1-CD1 4.49Å; I384-Y454 HydrophobicContact CD1-CD2 3.64Å; I384-Y454 HydrophobicContact CD1-CE2 3.78Å; I384-Y454 HydrophobicContact CD1-CG 3.99Å; I384-Y454 HydrophobicContact CG1-CD2 4.49Å; L428-Y454 WeakPolarHBondContact O-CA 3.47Å
455	S	95.1	Very high	88.2	Confident	1 Å²	1	40.5 Å²	40.5	1%	0.007	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-78.8	166.6	174.1	79.5	0	0	0	0	111.6	W136 Q427 L428	W136-S455 WeakPolarHBondContact O-CA 3.37Å; Q427-S455 VanDerWaalsContact CG-O 3.22Å; Q427-S455 WeakPolarHBondContact CG-O 3.49Å; Q427-S455 PolarHBondContact NE2-O 2.94Å; L428-S455 PolarHBondContact N-OG 3.32Å; L428-S455 PolarHBondContact O-N 3.5Å
456	P	92.9	Very high	86.6	Confident	72 Å²	72	44.3 Å²	44.3	47%	0.468	23%	0.226	S	C	.	.	P	Polyproline II helix	trans	-56.8	149.4	160.6	-23.5	34.7	0	0	0	111.5
457	R	93.7	Very high	84.9	Confident	55 Å²	55	46.6 Å²	46.6	21%	0.208	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-80.8	118	172.5	179.2	175.7	175.3	-118.6	6.9	109	I380 D422 Y425 Q427	I380-R457 HydrophobicContact CG1-CB 4.5Å; D422-R457 IonicContact OD2-CZ 3.52Å; D422-R457 IonicContact OD2-NE 3.73Å; D422-R457 IonicContact OD2-NH2 2.71Å; D422-R457 PolarHBondContact OD2-NH2 2.9Å; Y425-R457 HydrophobicContact CD1-CG 4.08Å; Y425-R457 HydrophobicContact CG-CG 4.27Å; Q427-R457 HydrophobicContact CB-CB 4.48Å
458	V	93.2	Very high	83	Confident	14 Å²	14	54.1 Å²	54.1	9%	0.085	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	148.4	-176.3	-58.8	0	0	0	0	111.1	Y425 I426 E478 A479 L482	Y425-V458 CarbonylContact C-O 3.53Å; Y425-V458 VanDerWaalsContact CA-O 3.27Å; Y425-V458 WeakPolarHBondContact CA-O 3.31Å; I426-V458 HydrophobicContact CD1-CG2 4.4Å; I426-V458 HydrophobicContact CG1-CG2 3.71Å; I426-V458 PolarHBondContact N-O 3.42Å; I426-V458 PolarHBondContact O-N 3.11Å; V458-E478 HydrophobicContact CG1-CB 4.31Å; V458-A479 HydrophobicContact CG2-CB 3.98Å; V458-L482 HydrophobicContact CG1-CD1 4.45Å; V458-L482 HydrophobicContact CG2-CD1 3.43Å; V458-L482 VanDerWaalsContact CG2-CD1 3.43Å; V458-L482 HydrophobicContact CG2-CG 4.44Å
459	E	91.7	Very high	81	Confident	51 Å²	51	62.8 Å²	62.8	24%	0.238	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	137.1	174.2	-169.4	172.7	-154.2	0	0	110.4	N424 Y425 C461 K462 N476	N424-E459 VanDerWaalsContact ND2-CG 3.33Å; N424-E459 WeakPolarHBondContact ND2-CG 3.39Å; N424-E459 PolarHBondContact ND2-OE1 3.29Å; Y425-E459 HydrophobicContact CD1-CB 4.1Å; Y425-E459 HydrophobicContact CE1-CB 3.87Å; Y425-E459 HydrophobicContact CE1-CG 4.39Å; E459-C461 WeakPolarHBondContact CG-O 3.35Å; E459-K462 WeakPolarHBondContact OE2-CE 3.48Å; E459-K462 WeakPolarHBondContact OE2-CG 3.3Å; E459-N476 WeakPolarHBondContact O-CB 3.4Å; E459-N476 PolarHBondContact O-ND2 3.2Å
460	L	89.7	Confident	79.2	Confident	5 Å²	5	68 Å²	68	3%	0.026	34%	0.343	C	S	.	.	S	Bend	trans	-77.6	-47	-177.6	-178.5	59.9	0	0	0	112	F155 I191 N424 I426 N476 A479 L483	F155-L460 HydrophobicContact CE1-CD2 4.45Å; F155-L460 HydrophobicContact CE2-CG 4.32Å; F155-L460 HydrophobicContact CZ-CD2 3.65Å; F155-L460 HydrophobicContact CZ-CG 3.84Å; I191-L460 HydrophobicContact CD1-CD2 4.24Å; I191-L460 HydrophobicContact CG2-CD2 4.39Å; N424-L460 VanDerWaalsContact O-CB 3.26Å; N424-L460 WeakPolarHBondContact O-CB 3.24Å; N424-L460 PolarHBondContact O-N 3.48Å; I426-L460 HydrophobicContact CD1-CD1 4.33Å; I426-L460 HydrophobicContact CG2-CB 4.33Å; I426-L460 HydrophobicContact CG2-CD2 4.4Å; L460-N476 PolarHBondContact O-N 3.39Å; L460-A479 HydrophobicContact CD1-CB 3.92Å; L460-L483 HydrophobicContact CD1-CD1 4.13Å
461	C	85.1	Confident	77.6	Confident	9 Å²	9	74.8 Å²	74.8	6%	0.061	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	146.6	177.1	67.3	0	0	0	0	112.3	F155 N424 E459 T474	F155-C461 HydrophobicContact CD2-CB 4.13Å; F155-C461 HydrophobicContact CE2-CB 4.03Å; F155-C461 HydrophobicContact CG-CB 4.47Å; F155-C461 HydrophobicContact CZ-CB 4.28Å; N424-C461 PolarHBondContact ND2-O 3Å; N424-C461 PolarHBondContact OD1-SG 3.23Å; E459-C461 WeakPolarHBondContact CG-O 3.35Å; C461-T474 CarbonylContact C-O 3.45Å; C461-T474 WeakPolarHBondContact CA-O 3.43Å
462	K	81.6	Confident	76.2	Confident	114 Å²	114	77.6 Å²	77.6	50%	0.496	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	131.5	172.8	-72.5	175.6	-178.3	180	0	109.1	E459 Q464 T474	E459-K462 WeakPolarHBondContact OE2-CE 3.48Å; E459-K462 WeakPolarHBondContact OE2-CG 3.3Å; K462-Q464 PolarHBondContact O-N 3.03Å; K462-T474 WeakPolarHBondContact CB-OG1 3.06Å; K462-T474 PolarHBondContact N-O 3.39Å; K462-T474 PolarHBondContact O-N 3.46Å; K462-T474 PolarHBondContact O-OG1 3.15Å
463	L	72.2	Confident	75.1	Confident	92 Å²	92	80 Å²	80	48%	0.482	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	110.4	169.3	-175.4	73.2	0	0	0	107.9	K471 F473	L463-K471 HydrophobicContact CD1-CB 4.01Å; L463-K471 HydrophobicContact CD1-CD 4.34Å; L463-K471 HydrophobicContact CD1-CG 4.38Å; L463-F473 HydrophobicContact CD1-CD1 4.15Å; L463-F473 HydrophobicContact CD1-CD2 4.23Å; L463-F473 HydrophobicContact CD1-CE1 3.63Å; L463-F473 HydrophobicContact CD1-CE2 3.65Å; L463-F473 HydrophobicContact CD1-CG 4.45Å; L463-F473 HydrophobicContact CD1-CZ 3.37Å
464	Q	64.9	Low	74.5	Confident	96 Å²	96	81.7 Å²	81.7	45%	0.449	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	114.5	169.7	-169.4	169.6	-19.7	0	0	108.1	K462 D466 T472	K462-Q464 PolarHBondContact O-N 3.03Å; Q464-D466 PolarHBondContact NE2-OD1 3.18Å; Q464-D466 PolarHBondContact O-N 3.33Å; Q464-T472 PolarHBondContact N-O 2.82Å; Q464-T472 PolarHBondContact O-N 3.03Å; Q464-T472 VanDerWaalsContact O-N 3.16Å
465	S	55.9	Low	74	Confident	92 Å²	92	79.3 Å²	79.3	64%	0.643	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.2	96.6	168	57.1	0	0	0	0	108.1
466	D	51.8	Low	73.7	Confident	83 Å²	83	81 Å²	81	44%	0.444	41%	0.413	S	S	.	.			trans	-72.2	146.5	162.7	-65.6	-29.7	0	0	0	108.4	Q464 E468	Q464-D466 PolarHBondContact NE2-OD1 3.18Å; Q464-D466 PolarHBondContact O-N 3.33Å; D466-E468 PolarHBondContact O-N 3.18Å
467	L	52.7	Low	73.5	Confident	183 Å²	183	82.1 Å²	82.1	96%	0.958	42%	0.415	S	S	*	.	S	Bend	trans	-59.2	-2.5	-168.4	-79.8	147.4	0	0	0	115.5
468	E	49.6	Very low	73.4	Confident	168 Å²	168	85.3 Å²	85.3	79%	0.785	43%	0.432	S	S	*	.	S	Bend	trans	-132.3	74.7	-173.3	-64.3	-174.6	170.4	0	0	111.9	D466 N470	D466-E468 PolarHBondContact O-N 3.18Å; E468-N470 PolarHBondContact O-N 3.39Å
469	H	52.6	Low	73.3	Confident	195 Å²	195	84.6 Å²	84.6	90%	0.903	43%	0.428	S	S	*	.	S	Bend	trans	55.9	-4.9	160.6	-72.6	13.3	0	0	0	119.6
470	N	56.7	Low	73.2	Confident	121 Å²	121	82.2 Å²	82.2	65%	0.647	42%	0.417	S	S	*	.			trans	-104.4	101	175.7	-75.1	-19.7	0	0	0	109.6	E468 T472	E468-N470 PolarHBondContact O-N 3.39Å; N470-T472 PolarHBondContact O-N 3.4Å
471	K	63.1	Low	73.3	Confident	142 Å²	142	82.8 Å²	82.8	62%	0.617	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.8	109.8	170.2	-73.5	179.3	-177.9	179.1	0	108.6	L463	L463-K471 HydrophobicContact CD1-CB 4.01Å; L463-K471 HydrophobicContact CD1-CD 4.34Å; L463-K471 HydrophobicContact CD1-CG 4.38Å
472	T	68	Low	73.7	Confident	60 Å²	60	83.1 Å²	83.1	37%	0.368	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	135	175.8	58	0	0	0	0	109.6	Q464 N470	Q464-T472 PolarHBondContact N-O 2.82Å; Q464-T472 PolarHBondContact O-N 3.03Å; Q464-T472 VanDerWaalsContact O-N 3.16Å; N470-T472 PolarHBondContact O-N 3.4Å
473	F	75.3	Confident	74.2	Confident	50 Å²	50	77.8 Å²	77.8	22%	0.219	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	125.2	174.9	-73.1	-96.3	0	0	0	109.1	F155 H160 L463	F155-F473 HydrophobicContact CB-CB 4.12Å; F155-F473 HydrophobicContact CB-CD1 4.14Å; F155-F473 HydrophobicContact CB-CG 4.06Å; H160-F473 AromaticContact CE1-CE2 3.46Å; H160-F473 VanDerWaalsContact CE1-CE2 3.46Å; H160-F473 WeakPolarHBondContact CE1-CE2 3.36Å; H160-F473 AromaticContact CE1-CZ 3.79Å; L463-F473 HydrophobicContact CD1-CD1 4.15Å; L463-F473 HydrophobicContact CD1-CD2 4.23Å; L463-F473 HydrophobicContact CD1-CE1 3.63Å; L463-F473 HydrophobicContact CD1-CE2 3.65Å; L463-F473 HydrophobicContact CD1-CG 4.45Å; L463-F473 HydrophobicContact CD1-CZ 3.37Å
474	T	82.6	Confident	75	Confident	53 Å²	53	73.6 Å²	73.6	33%	0.325	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	125.2	170.5	57.1	0	0	0	0	108.4	C461 K462	C461-T474 CarbonylContact C-O 3.45Å; C461-T474 WeakPolarHBondContact CA-O 3.43Å; K462-T474 WeakPolarHBondContact CB-OG1 3.06Å; K462-T474 PolarHBondContact N-O 3.39Å; K462-T474 PolarHBondContact O-N 3.46Å; K462-T474 PolarHBondContact O-OG1 3.15Å
475	V	86.2	Confident	76.3	Confident	10 Å²	10	69.1 Å²	69.1	6%	0.061	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	132.6	175.3	-178.3	0	0	0	0	107.7	L151 K152 F155 N477 I480	L151-V475 HydrophobicContact CB-CG1 4.33Å; L151-V475 HydrophobicContact CB-CG2 4.04Å; L151-V475 HydrophobicContact CD1-CG1 4.06Å; K152-V475 HydrophobicContact CG-CB 4.49Å; K152-V475 HydrophobicContact CG-CG2 3.69Å; F155-V475 HydrophobicContact CD2-CG2 3.77Å; F155-V475 HydrophobicContact CE2-CG2 3.99Å; V475-N477 PolarHBondContact O-N 3.33Å; V475-I480 HydrophobicContact CB-CD1 4.33Å; V475-I480 HydrophobicContact CG1-CD1 3.7Å; V475-I480 HydrophobicContact CG1-CG1 3.78Å
476	N	89	Confident	78	Confident	36 Å²	36	64.8 Å²	64.8	19%	0.193	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-71.2	127.3	-179.5	-174.7	0.5	0	0	0	110.6	E459 L460 E478 A479 I480	E459-N476 WeakPolarHBondContact O-CB 3.4Å; E459-N476 PolarHBondContact O-ND2 3.2Å; L460-N476 PolarHBondContact O-N 3.39Å; N476-E478 VanDerWaalsContact C-N 3.29Å; N476-E478 PolarHBondContact O-N 3.31Å; N476-E478 PolarHBondContact OD1-N 3.31Å; N476-E478 VanDerWaalsContact OD1-N 3.11Å; N476-A479 HydrophobicContact CB-CB 4.08Å; N476-A479 WeakPolarHBondContact O-CB 3.03Å; N476-A479 PolarHBondContact O-N 2.98Å; N476-I480 PolarHBondContact O-N 3.14Å; N476-I480 VanDerWaalsContact O-N 3.17Å
477	N	88.8	Confident	79.8	Confident	96 Å²	96	61 Å²	61	51%	0.513	31%	0.307	S	S	.	.	H	α-helix	trans	-65.1	-32.6	179.5	-70.4	-16.5	0	0	0	112.4	V475 A479 I480 S481	V475-N477 PolarHBondContact O-N 3.33Å; N477-A479 VanDerWaalsContact C-N 3.33Å; N477-A479 PolarHBondContact O-N 3.25Å; N477-I480 WeakPolarHBondContact O-CB 3.01Å; N477-I480 PolarHBondContact O-N 2.87Å; N477-S481 PolarHBondContact O-N 2.87Å
478	E	89.8	Confident	81.5	Confident	121 Å²	121	54.5 Å²	54.5	57%	0.565	27%	0.272	S	S	*	.	H	α-helix	trans	-63.6	-42.1	175.3	-65.4	176.7	174	0	0	110.9	V458 N476 I480 S481 L482	V458-E478 HydrophobicContact CG1-CB 4.31Å; N476-E478 VanDerWaalsContact C-N 3.29Å; N476-E478 PolarHBondContact O-N 3.31Å; N476-E478 PolarHBondContact OD1-N 3.31Å; N476-E478 VanDerWaalsContact OD1-N 3.11Å; E478-I480 VanDerWaalsContact C-N 3.32Å; E478-I480 PolarHBondContact O-N 3.4Å; E478-S481 WeakPolarHBondContact O-CB 3.48Å; E478-S481 PolarHBondContact O-N 3.49Å; E478-S481 VanDerWaalsContact O-N 3.15Å; E478-L482 WeakPolarHBondContact O-CG 3.08Å; E478-L482 PolarHBondContact O-N 3.49Å
479	A	91.4	Very high	83.4	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-63.4	-39.3	176.8	0	0	0	0	0	111.8	I426 V458 L460 N476 N477 S481 L482 L483	I426-A479 HydrophobicContact CD1-CB 3.66Å; I426-A479 HydrophobicContact CG1-CB 4.1Å; V458-A479 HydrophobicContact CG2-CB 3.98Å; L460-A479 HydrophobicContact CD1-CB 3.92Å; N476-A479 HydrophobicContact CB-CB 4.08Å; N476-A479 WeakPolarHBondContact O-CB 3.03Å; N476-A479 PolarHBondContact O-N 2.98Å; N477-A479 VanDerWaalsContact C-N 3.33Å; N477-A479 PolarHBondContact O-N 3.25Å; A479-S481 VanDerWaalsContact C-N 3.34Å; A479-L482 PolarHBondContact O-N 3.13Å; A479-L483 WeakPolarHBondContact O-CG 3.28Å; A479-L483 PolarHBondContact O-N 2.87Å
480	I	91.2	Very high	85.2	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-62.2	-43	173.3	-66	171.8	0	0	0	110.6	L147 L151 V475 N476 N477 E478 L483 T484	L147-I480 HydrophobicContact CD2-CG2 3.96Å; L147-I480 HydrophobicContact CG-CG2 4.29Å; L151-I480 HydrophobicContact CD1-CG1 4.41Å; V475-I480 HydrophobicContact CB-CD1 4.33Å; V475-I480 HydrophobicContact CG1-CD1 3.7Å; V475-I480 HydrophobicContact CG1-CG1 3.78Å; N476-I480 PolarHBondContact O-N 3.14Å; N476-I480 VanDerWaalsContact O-N 3.17Å; N477-I480 WeakPolarHBondContact O-CB 3.01Å; N477-I480 PolarHBondContact O-N 2.87Å; E478-I480 VanDerWaalsContact C-N 3.32Å; E478-I480 PolarHBondContact O-N 3.4Å; I480-L483 PolarHBondContact O-N 3.39Å; I480-T484 VanDerWaalsContact O-CB 3.25Å; I480-T484 WeakPolarHBondContact O-CB 3.2Å; I480-T484 PolarHBondContact O-N 3.18Å; I480-T484 PolarHBondContact O-OG1 2.97Å
481	S	90.9	Very high	86.8	Confident	17 Å²	17	35.9 Å²	35.9	12%	0.119	19%	0.188	C	C	.	.	H	α-helix	trans	-61.9	-42.2	176.6	-174.6	0	0	0	0	111.6	Y141 N477 E478 A479 T484 S485	Y141-S481 PolarHBondContact N-OG 3.02Å; N477-S481 PolarHBondContact O-N 2.87Å; E478-S481 WeakPolarHBondContact O-CB 3.48Å; E478-S481 PolarHBondContact O-N 3.49Å; E478-S481 VanDerWaalsContact O-N 3.15Å; A479-S481 VanDerWaalsContact C-N 3.34Å; S481-T484 PolarHBondContact O-N 2.87Å; S481-S485 VanDerWaalsContact O-CB 3.29Å; S481-S485 WeakPolarHBondContact O-CB 3.47Å; S481-S485 PolarHBondContact O-N 2.8Å
482	L	92.6	Very high	88	Confident	16 Å²	16	30.7 Å²	30.7	8%	0.084	17%	0.167	C	C	.	.	H	α-helix	trans	-61.9	-48.7	175.7	-66.4	-175.3	0	0	0	112.2	P138 I426 V458 E478 A479 T484 S485 A486	P138-L482 HydrophobicContact CB-CD2 4.21Å; P138-L482 HydrophobicContact CG-CD2 3.49Å; P138-L482 VanDerWaalsContact CG-CD2 3.49Å; I426-L482 HydrophobicContact CD1-CB 4.33Å; I426-L482 HydrophobicContact CD1-CD1 4.36Å; I426-L482 HydrophobicContact CG1-CD1 4.34Å; V458-L482 HydrophobicContact CG1-CD1 4.45Å; V458-L482 HydrophobicContact CG2-CD1 3.43Å; V458-L482 VanDerWaalsContact CG2-CD1 3.43Å; V458-L482 HydrophobicContact CG2-CG 4.44Å; E478-L482 WeakPolarHBondContact O-CG 3.08Å; E478-L482 PolarHBondContact O-N 3.49Å; A479-L482 PolarHBondContact O-N 3.13Å; L482-T484 VanDerWaalsContact C-N 3.28Å; L482-T484 PolarHBondContact O-N 3.09Å; L482-S485 PolarHBondContact O-N 3.14Å; L482-A486 PolarHBondContact O-N 3.11Å
483	L	92.1	Very high	88.8	Confident	2 Å²	2	32.1 Å²	32.1	1%	0.01	17%	0.169	C	C	.	.	H	α-helix	trans	-62.3	-38.4	178	-69.3	171	0	0	0	111.4	L147 L151 V195 I419 I426 L460 A479 I480 A486 M487	L147-L483 HydrophobicContact CD2-CB 4.24Å; L151-L483 HydrophobicContact CD1-CD1 4.25Å; V195-L483 HydrophobicContact CG2-CD1 4.02Å; I419-L483 HydrophobicContact CD1-CD2 3.58Å; I419-L483 HydrophobicContact CG1-CD2 4.5Å; I426-L483 HydrophobicContact CD1-CD1 4.37Å; I426-L483 HydrophobicContact CD1-CD2 4.28Å; I426-L483 HydrophobicContact CD1-CG 3.97Å; L460-L483 HydrophobicContact CD1-CD1 4.13Å; A479-L483 WeakPolarHBondContact O-CG 3.28Å; A479-L483 PolarHBondContact O-N 2.87Å; I480-L483 PolarHBondContact O-N 3.39Å; L483-A486 PolarHBondContact O-N 3.11Å; L483-M487 WeakPolarHBondContact O-CB 3.22Å; L483-M487 VanDerWaalsContact O-CG 3.27Å; L483-M487 WeakPolarHBondContact O-CG 3.47Å; L483-M487 PolarHBondContact O-N 3.05Å
484	T	90.8	Very high	89.2	Confident	5 Å²	5	37.3 Å²	37.3	3%	0.031	20%	0.197	C	C	.	.	H	α-helix	trans	-66.5	-46.2	176.9	-57.8	0	0	0	0	111.2	Y141 F199 I480 S481 L482 A486 M487 L488	Y141-T484 HydrophobicContact CD1-CG2 4.35Å; Y141-T484 HydrophobicContact CG-CG2 4.03Å; F199-T484 HydrophobicContact CE1-CG2 4.33Å; F199-T484 HydrophobicContact CZ-CG2 4Å; I480-T484 VanDerWaalsContact O-CB 3.25Å; I480-T484 WeakPolarHBondContact O-CB 3.2Å; I480-T484 PolarHBondContact O-N 3.18Å; I480-T484 PolarHBondContact O-OG1 2.97Å; S481-T484 PolarHBondContact O-N 2.87Å; L482-T484 VanDerWaalsContact C-N 3.28Å; L482-T484 PolarHBondContact O-N 3.09Å; T484-A486 VanDerWaalsContact C-N 3.27Å; T484-A486 PolarHBondContact O-N 3.25Å; T484-M487 PolarHBondContact O-N 3.35Å; T484-L488 HydrophobicContact CG2-CD1 3.56Å; T484-L488 HydrophobicContact CG2-CG 4.17Å; T484-L488 WeakPolarHBondContact O-CB 3.41Å; T484-L488 WeakPolarHBondContact O-CG 3.31Å; T484-L488 PolarHBondContact O-N 3.21Å
485	S	90.6	Very high	89.2	Confident	1 Å²	1	36.8 Å²	36.8	1%	0.007	19%	0.194	C	C	.	.	H	α-helix	trans	-58.9	-37.6	175.1	-169.8	0	0	0	0	112.4	R430 S481 L482 H489	R430-S485 PolarHBondContact NH2-O 2.5Å; R430-S485 PolarHBondContact NH2-OG 3.49Å; S481-S485 VanDerWaalsContact O-CB 3.29Å; S481-S485 WeakPolarHBondContact O-CB 3.47Å; S481-S485 PolarHBondContact O-N 2.8Å; L482-S485 PolarHBondContact O-N 3.14Å; S485-H489 PolarHBondContact O-N 3.5Å
486	A	91.6	Very high	89	Confident	2 Å²	2	39.3 Å²	39.3	2%	0.017	21%	0.212	C	C	.	.	H	α-helix	trans	-68.7	-43.7	177	0	0	0	0	0	112.7	L350 Q417 L428 L482 L483 T484	L350-A486 HydrophobicContact CD1-CB 3.96Å; L350-A486 HydrophobicContact CD2-CB 4.16Å; Q417-A486 PolarHBondContact NE2-O 3.28Å; L428-A486 HydrophobicContact CD1-CB 3.85Å; L428-A486 HydrophobicContact CD2-CB 4.35Å; L482-A486 PolarHBondContact O-N 3.11Å; L483-A486 PolarHBondContact O-N 3.11Å; T484-A486 VanDerWaalsContact C-N 3.27Å; T484-A486 PolarHBondContact O-N 3.25Å
487	M	89.8	Confident	88.6	Confident	3 Å²	3	38.9 Å²	38.9	2%	0.015	21%	0.212	C	C	.	.	H	α-helix	trans	-75.9	-28	-177.2	-69.4	-66.9	-67.2	0	0	113.9	V195 Y196 F199 V208 L270 L350 L483 T484	V195-M487 HydrophobicContact CG1-CG 3.83Å; V195-M487 HydrophobicContact CG1-SD 4.26Å; Y196-M487 HydrophobicContact CD2-CE 4.28Å; F199-M487 HydrophobicContact CB-CE 4.44Å; F199-M487 HydrophobicContact CD1-CB 4.44Å; F199-M487 HydrophobicContact CD2-CB 3.89Å; F199-M487 HydrophobicContact CD2-CE 3.94Å; F199-M487 HydrophobicContact CD2-CG 3.87Å; F199-M487 HydrophobicContact CE1-CB 4.2Å; F199-M487 HydrophobicContact CE2-CB 3.64Å; F199-M487 HydrophobicContact CE2-CG 3.67Å; F199-M487 HydrophobicContact CG-CB 4.32Å; F199-M487 HydrophobicContact CG-CE 4.33Å; F199-M487 HydrophobicContact CZ-CB 3.84Å; F199-M487 HydrophobicContact CZ-CG 4.34Å; V208-M487 HydrophobicContact CG2-CE 3.53Å; L270-M487 HydrophobicContact CD2-CE 4.48Å; L270-M487 HydrophobicContact CD2-SD 4.47Å; L350-M487 HydrophobicContact CD2-CG 4.44Å; L350-M487 HydrophobicContact CD2-SD 3.68Å; L483-M487 WeakPolarHBondContact O-CB 3.22Å; L483-M487 VanDerWaalsContact O-CG 3.27Å; L483-M487 WeakPolarHBondContact O-CG 3.47Å; L483-M487 PolarHBondContact O-N 3.05Å; T484-M487 PolarHBondContact O-N 3.35Å
488	L	88.9	Confident	88.2	Confident	46 Å²	46	42.1 Å²	42.1	24%	0.241	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	0.4	-178.9	-63.7	-177.1	0	0	0	114	Y141 F199 T484	Y141-L488 HydrophobicContact CD1-CD1 4.08Å; Y141-L488 HydrophobicContact CE1-CD1 4.16Å; F199-L488 HydrophobicContact CD1-CD2 4.01Å; F199-L488 HydrophobicContact CE1-CD1 4.31Å; F199-L488 HydrophobicContact CE1-CD2 3.73Å; F199-L488 HydrophobicContact CE1-CG 3.86Å; T484-L488 HydrophobicContact CG2-CD1 3.56Å; T484-L488 HydrophobicContact CG2-CG 4.17Å; T484-L488 WeakPolarHBondContact O-CB 3.41Å; T484-L488 WeakPolarHBondContact O-CG 3.31Å; T484-L488 PolarHBondContact O-N 3.21Å
489	H	89.3	Confident	88.1	Confident	13 Å²	13	38.7 Å²	38.7	6%	0.06	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-59.4	132.6	178.1	-168.4	76.7	0	0	0	110.4	L207 K277 H279 Q417 R430 S485	L207-H489 WeakPolarHBondContact CD1-O 3.2Å; L207-H489 WeakPolarHBondContact CG-O 3.45Å; K277-H489 PolarHBondContact O-NE2 2.76Å; K277-H489 VanDerWaalsContact O-NE2 3.14Å; H279-H489 AromaticContact CE1-CE1 3.26Å; H279-H489 PolarHBondContact CE1-CE1 2.92Å; H279-H489 AromaticContact CE1-ND1 3.98Å; H279-H489 AromaticContact ND1-CE1 3.99Å; H279-H489 AromaticContact NE2-CE1 3.72Å; Q417-H489 VanDerWaalsContact NE2-CB 3.27Å; R430-H489 PolarHBondContact NH2-ND1 3.44Å; S485-H489 PolarHBondContact O-N 3.5Å
490	P	89.9	Confident	88	Confident	63 Å²	63	38.7 Å²	38.7	41%	0.409	21%	0.213	S	C	.	.	P	Polyproline II helix	trans	-70.3	147.2	-172.6	25.9	-34.3	0	0	0	113.1	K277	K277-P490 HydrophobicContact CB-CB 4.38Å; K277-P490 HydrophobicContact CB-CG 4.14Å; K277-P490 WeakPolarHBondContact CB-O 3.45Å; K277-P490 HydrophobicContact CD-CG 4.22Å; K277-P490 PolarHBondContact N-O 3.26Å
491	V	90.8	Very high	87.9	Confident	17 Å²	17	40.1 Å²	40.1	10%	0.103	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-96.6	154.2	166	-66.8	0	0	0	0	111	L207 L211 F274 P275 L276 L349 K493	L207-V491 HydrophobicContact CD1-CG1 3.93Å; L207-V491 HydrophobicContact CD2-CB 3.95Å; L207-V491 HydrophobicContact CD2-CG1 3.41Å; L207-V491 VanDerWaalsContact CD2-CG1 3.41Å; L207-V491 HydrophobicContact CD2-CG2 3.64Å; L207-V491 HydrophobicContact CG-CG1 4.27Å; L211-V491 HydrophobicContact CD1-CG1 4.41Å; L211-V491 HydrophobicContact CD1-CG2 3.66Å; F274-V491 HydrophobicContact CB-CB 4.14Å; F274-V491 HydrophobicContact CB-CG2 4.25Å; P275-V491 CarbonylContact O-C 3.56Å; P275-V491 WeakPolarHBondContact O-CA 3.34Å; P275-V491 WeakPolarHBondContact O-CB 3.4Å; L276-V491 HydrophobicContact CD2-CG1 4Å; L349-V491 HydrophobicContact CD2-CG1 3.91Å; V491-K493 HydrophobicContact CG2-CD 4.35Å; V491-K493 HydrophobicContact CG2-CG 3.72Å; V491-K493 PolarHBondContact O-N 2.98Å
492	D	89.5	Confident	87.7	Confident	33 Å²	33	41.9 Å²	41.9	18%	0.176	23%	0.229	C	C	.	.			trans	-88.7	100	171.6	-176	5.3	0	0	0	110.8	P275 I494 T495	P275-D492 HydrophobicContact CG-CB 4.45Å; P275-D492 PolarHBondContact O-N 3.07Å; D492-I494 PolarHBondContact OD1-N 2.71Å; D492-T495 VanDerWaalsContact CG-OG1 3.3Å; D492-T495 PolarHBondContact OD1-N 3.07Å; D492-T495 PolarHBondContact OD1-OG1 3.43Å; D492-T495 WeakPolarHBondContact OD2-CB 2.88Å; D492-T495 PolarHBondContact OD2-OG1 3.34Å
493	K	84	Confident	87.5	Confident	91 Å²	91	43.3 Å²	43.3	40%	0.396	23%	0.234	S	C	.	.			trans	-91.2	-10.1	175.1	-51.1	-175.3	-171.2	176.3	0	113.1	E210 L211 F274 V491	E210-K493 IonicContact OE2-NZ 3.28Å; E210-K493 PolarHBondContact OE2-NZ 3.01Å; L211-K493 HydrophobicContact CD2-CD 4.45Å; F274-K493 HydrophobicContact CD2-CG 4.19Å; F274-K493 HydrophobicContact CE2-CG 4.49Å; F274-K493 HydrophobicContact CG-CG 4.38Å; V491-K493 HydrophobicContact CG2-CD 4.35Å; V491-K493 HydrophobicContact CG2-CG 3.72Å; V491-K493 PolarHBondContact O-N 2.98Å
494	I	83.4	Confident	87.3	Confident	158 Å²	158	44.3 Å²	44.3	81%	0.81	24%	0.239	S	C	*	.	S	Bend	trans	-82.6	-37.5	-170.7	-58.2	172.6	0	0	0	109.3	D492 S496	D492-I494 PolarHBondContact OD1-N 2.71Å; I494-S496 PolarHBondContact O-N 3.32Å
495	T	83.1	Confident	86.5	Confident	43 Å²	43	48.1 Å²	48.1	26%	0.264	27%	0.271	S	S	.	.	S	Bend	trans	-66.4	121	-175.8	-61	0	0	0	0	111.2	D492 S499 L500	D492-T495 VanDerWaalsContact CG-OG1 3.3Å; D492-T495 PolarHBondContact OD1-N 3.07Å; D492-T495 PolarHBondContact OD1-OG1 3.43Å; D492-T495 WeakPolarHBondContact OD2-CB 2.88Å; D492-T495 PolarHBondContact OD2-OG1 3.34Å; T495-S499 WeakPolarHBondContact CG2-OG 3.21Å; T495-L500 HydrophobicContact CG2-CD1 4.27Å; T495-L500 HydrophobicContact CG2-CD2 3.61Å; T495-L500 HydrophobicContact CG2-CG 3.65Å
496	S	82	Confident	85.3	Confident	63 Å²	63	50 Å²	50	44%	0.441	28%	0.281	S	S	.	.			trans	-64.3	160.6	-177.6	77	0	0	0	0	112.3	I494 E498 S499 L500	I494-S496 PolarHBondContact O-N 3.32Å; S496-E498 VanDerWaalsContact C-N 3.25Å; S496-E498 PolarHBondContact O-N 3.47Å; S496-S499 PolarHBondContact N-OG 2.91Å; S496-S499 VanDerWaalsContact N-OG 3.11Å; S496-S499 PolarHBondContact O-N 2.97Å; S496-S499 PolarHBondContact O-OG 2.96Å; S496-S499 PolarHBondContact OG-N 3.39Å; S496-S499 PolarHBondContact OG-OG 2.85Å; S496-L500 WeakPolarHBondContact O-CG 3.31Å; S496-L500 PolarHBondContact O-N 2.8Å
497	S	80.4	Confident	84.1	Confident	26 Å²	26	52.9 Å²	52.9	18%	0.182	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-35.3	-177.3	-152.7	0	0	0	0	113	L500 A509 R511 N512	S497-L500 PolarHBondContact O-N 3.39Å; S497-A509 VanDerWaalsContact OG-CB 3.26Å; S497-A509 WeakPolarHBondContact OG-CB 3.48Å; S497-R511 PolarHBondContact O-NH2 3.27Å; S497-R511 VanDerWaalsContact O-NH2 3.12Å; S497-R511 PolarHBondContact OG-NE 3.3Å; S497-R511 PolarHBondContact OG-NH2 2.99Å; S497-N512 WeakPolarHBondContact CB-OD1 3.47Å; S497-N512 PolarHBondContact OG-ND2 3.34Å; S497-N512 PolarHBondContact OG-OD1 3.28Å
498	E	81.1	Confident	83.3	Confident	165 Å²	165	57.2 Å²	57.2	77%	0.771	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-44.6	179.3	-63.3	173.8	-175.4	0	0	111.5	S496 L500 R501	S496-E498 VanDerWaalsContact C-N 3.25Å; S496-E498 PolarHBondContact O-N 3.47Å; E498-L500 PolarHBondContact O-N 2.94Å; E498-R501 CarbonylContact O-C 3.57Å; E498-R501 PolarHBondContact O-N 2.84Å; E498-R501 VanDerWaalsContact O-N 3.16Å
499	S	86.9	Confident	83	Confident	49 Å²	49	55.1 Å²	55.1	34%	0.343	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-28	177.2	38.3	0	0	0	0	113.5	T495 S496 R501	T495-S499 WeakPolarHBondContact CG2-OG 3.21Å; S496-S499 PolarHBondContact N-OG 2.91Å; S496-S499 VanDerWaalsContact N-OG 3.11Å; S496-S499 PolarHBondContact O-N 2.97Å; S496-S499 PolarHBondContact O-OG 2.96Å; S496-S499 PolarHBondContact OG-N 3.39Å; S496-S499 PolarHBondContact OG-OG 2.85Å; S499-R501 VanDerWaalsContact C-N 3.29Å
500	L	88.9	Confident	82.7	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-15.2	179.3	-68.5	170.5	0	0	0	112.8	P275 Y412 T495 S496 S497 E498 P502 R511	P275-L500 HydrophobicContact CG-CD1 4.31Å; P275-L500 HydrophobicContact CG-CD2 3.99Å; Y412-L500 HydrophobicContact CD1-CD2 4.27Å; Y412-L500 HydrophobicContact CD2-CD2 4.1Å; Y412-L500 HydrophobicContact CE1-CB 4.34Å; Y412-L500 HydrophobicContact CE1-CD2 3.77Å; Y412-L500 WeakPolarHBondContact CE1-O 3.44Å; Y412-L500 HydrophobicContact CE2-CD2 3.55Å; Y412-L500 HydrophobicContact CG-CD2 4.43Å; Y412-L500 PolarHBondContact OH-O 3.2Å; T495-L500 HydrophobicContact CG2-CD1 4.27Å; T495-L500 HydrophobicContact CG2-CD2 3.61Å; T495-L500 HydrophobicContact CG2-CG 3.65Å; S496-L500 WeakPolarHBondContact O-CG 3.31Å; S496-L500 PolarHBondContact O-N 2.8Å; S497-L500 PolarHBondContact O-N 3.39Å; E498-L500 PolarHBondContact O-N 2.94Å; L500-P502 VanDerWaalsContact C-CD 3.48Å; L500-R511 VanDerWaalsContact CD1-CZ 3.44Å
501	R	89.3	Confident	82.4	Confident	29 Å²	29	51.8 Å²	51.8	11%	0.109	30%	0.302	C	S	.	.			trans	-131.4	55.2	-176.4	-66.6	179.1	173	-159.9	-4.8	111.7	E346 Q402 E498 S499 Y503 L504 A509 P510	E346-R501 IonicContact OE1-CZ 2.78Å; E346-R501 IonicContact OE1-NH2 3.34Å; E346-R501 PolarHBondContact OE1-NH2 3.03Å; E346-R501 IonicContact OE2-CZ 2.65Å; E346-R501 IonicContact OE2-NE 2.9Å; E346-R501 IonicContact OE2-NH2 3.04Å; E346-R501 PolarHBondContact OE2-NH2 2.8Å; Q402-R501 HydrophobicContact CB-CG 4.45Å; E498-R501 CarbonylContact O-C 3.57Å; E498-R501 PolarHBondContact O-N 2.84Å; E498-R501 VanDerWaalsContact O-N 3.16Å; S499-R501 VanDerWaalsContact C-N 3.29Å; R501-Y503 PolarHBondContact O-N 2.88Å; R501-L504 HydrophobicContact CB-CB 4.27Å; R501-L504 HydrophobicContact CB-CD1 4.31Å; R501-L504 HydrophobicContact CB-CG 4.49Å; R501-L504 HydrophobicContact CG-CD1 4.23Å; R501-L504 PolarHBondContact O-N 3.21Å; R501-L504 VanDerWaalsContact O-N 3.14Å; R501-A509 VanDerWaalsContact CZ-CB 3.49Å; R501-A509 VanDerWaalsContact NH1-CA 3.34Å; R501-A509 VanDerWaalsContact NH1-CB 3.33Å; R501-P510 VanDerWaalsContact NH1-CD 3.35Å
502	P	87.8	Confident	82	Confident	54 Å²	54	52.6 Å²	52.6	35%	0.351	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-22.2	-169.7	29.4	-39	0	0	0	113.6	F404 T411 L500	F404-P502 HydrophobicContact CE1-CG 3.73Å; F404-P502 HydrophobicContact CZ-CG 3.63Å; T411-P502 HydrophobicContact CG2-CB 4.12Å; T411-P502 HydrophobicContact CG2-CG 3.8Å; L500-P502 VanDerWaalsContact C-CD 3.48Å
503	Y	88	Confident	81.2	Confident	46 Å²	46	54.1 Å²	54.1	18%	0.18	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	-1.7	-176.2	-55	-51.8	0	0	0	113.7	K88 K96 F404 N408 E409 R501	K88-Y503 HydrophobicContact CD-CD1 4.41Å; K88-Y503 HydrophobicContact CD-CE1 4.48Å; K88-Y503 HydrophobicContact CG-CD1 3.97Å; K88-Y503 HydrophobicContact CG-CE1 4.46Å; K96-Y503 VanDerWaalsContact CE-O 3.24Å; K96-Y503 WeakPolarHBondContact CE-O 3.36Å; K96-Y503 PolarHBondContact NZ-O 3.36Å; F404-Y503 AromaticContact CD1-CD2 3.74Å; F404-Y503 HydrophobicContact CD1-CD2 3.74Å; F404-Y503 AromaticContact CD1-CE2 3.49Å; F404-Y503 HydrophobicContact CD1-CE2 3.49Å; F404-Y503 VanDerWaalsContact CD1-CE2 3.49Å; F404-Y503 AromaticContact CE1-CD2 3.92Å; F404-Y503 HydrophobicContact CE1-CD2 3.92Å; F404-Y503 AromaticContact CE1-CE2 3.54Å; F404-Y503 HydrophobicContact CE1-CE2 3.54Å; N408-Y503 HydrophobicContact CB-CD2 3.79Å; N408-Y503 HydrophobicContact CB-CE2 3.66Å; N408-Y503 HydrophobicContact CB-CG 4.37Å; E409-Y503 WeakPolarHBondContact O-CE2 3.34Å; E409-Y503 PolarHBondContact O-OH 3.17Å; E409-Y503 VanDerWaalsContact O-OH 3.13Å; R501-Y503 PolarHBondContact O-N 2.88Å
504	L	87	Confident	80.7	Confident	23 Å²	23	52.6 Å²	52.6	12%	0.12	31%	0.305	C	S	.	.			trans	-99.2	126.1	176.7	-60.2	179	0	0	0	108.7	K96 Q402 R501	K96-L504 HydrophobicContact CD-CD2 3.78Å; Q402-L504 WeakPolarHBondContact O-CD1 3.38Å; R501-L504 HydrophobicContact CB-CB 4.27Å; R501-L504 HydrophobicContact CB-CD1 4.31Å; R501-L504 HydrophobicContact CB-CG 4.49Å; R501-L504 HydrophobicContact CG-CD1 4.23Å; R501-L504 PolarHBondContact O-N 3.21Å; R501-L504 VanDerWaalsContact O-N 3.14Å
505	A	73.4	Confident	80.1	Confident	85 Å²	85	48.9 Å²	48.9	70%	0.702	29%	0.286	S	S	*	.			trans	-80.4	-9.4	170.3	0	0	0	0	0	111.9	P91 G507	P91-A505 HydrophobicContact CB-CB 3.97Å; P91-A505 PolarHBondContact O-N 2.63Å; A505-G507 PolarHBondContact O-N 3.12Å
506	D	65.5	Low	79.1	Confident	41 Å²	41	50.6 Å²	50.6	22%	0.219	29%	0.294	C	S	.	.			trans	-73.2	106.8	-171.3	-101.4	8.4	0	0	0	114.8	P91 T92 R336	P91-D506 WeakPolarHBondContact O-CB 3.34Å; P91-D506 PolarHBondContact O-N 3.49Å; T92-D506 VanDerWaalsContact CA-OD2 3.31Å; T92-D506 WeakPolarHBondContact CA-OD2 3.2Å; T92-D506 WeakPolarHBondContact CB-OD2 3.12Å; T92-D506 VanDerWaalsContact CG2-CG 3.46Å; T92-D506 WeakPolarHBondContact CG2-OD1 3.27Å; T92-D506 WeakPolarHBondContact CG2-OD2 3.33Å; R336-D506 IonicContact NH1-OD2 3.82Å
507	G	66.9	Low	77.8	Confident	63 Å²	63	57.1 Å²	57.1	65%	0.649	31%	0.314	S	S	*	.	S	Bend	trans	46.3	-168	140.4	0	0	0	0	0	119.5	A505 A509	A505-G507 PolarHBondContact O-N 3.12Å; G507-A509 PolarHBondContact O-N 3.4Å
508	I	73.9	Confident	76	Confident	93 Å²	93	61.5 Å²	61.5	48%	0.477	35%	0.345	S	S	.	.	S	Bend	trans	-68.3	125.3	176.3	-61.9	174.4	0	0	0	108.1	N512 Y513	I508-N512 HydrophobicContact CG2-CB 3.59Å; I508-Y513 HydrophobicContact CB-CE1 4.41Å; I508-Y513 HydrophobicContact CG2-CD1 4.32Å; I508-Y513 HydrophobicContact CG2-CE1 3.88Å
509	A	82.9	Confident	74	Confident	2 Å²	2	56 Å²	56	2%	0.017	32%	0.324	C	S	.	.			trans	-64.3	141.1	176	0	0	0	0	0	110.9	S497 R501 G507 R511 N512	S497-A509 VanDerWaalsContact OG-CB 3.26Å; S497-A509 WeakPolarHBondContact OG-CB 3.48Å; R501-A509 VanDerWaalsContact CZ-CB 3.49Å; R501-A509 VanDerWaalsContact NH1-CA 3.34Å; R501-A509 VanDerWaalsContact NH1-CB 3.33Å; G507-A509 PolarHBondContact O-N 3.4Å; A509-R511 HydrophobicContact CB-CG 4.1Å; A509-R511 PolarHBondContact O-N 2.92Å; A509-R511 VanDerWaalsContact O-N 3.15Å; A509-N512 PolarHBondContact N-ND2 3.24Å; A509-N512 VanDerWaalsContact O-CB 3.23Å; A509-N512 WeakPolarHBondContact O-CB 2.95Å; A509-N512 PolarHBondContact O-N 3.14Å
510	P	82.5	Confident	71.6	Confident	3 Å²	3	56.3 Å²	56.3	2%	0.019	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.7	-43.5	177.1	-27.5	28.9	0	0	0	114	E341 P344 E346 R501 N512 Y513	E341-P510 WeakPolarHBondContact O-CG 3.5Å; P344-P510 VanDerWaalsContact CB-O 3.3Å; P344-P510 WeakPolarHBondContact CB-O 3.4Å; E346-P510 WeakPolarHBondContact OE1-CB 3.5Å; E346-P510 WeakPolarHBondContact OE1-CD 3.33Å; E346-P510 VanDerWaalsContact OE1-CG 3.31Å; E346-P510 WeakPolarHBondContact OE1-CG 3.45Å; R501-P510 VanDerWaalsContact NH1-CD 3.35Å; P510-N512 PolarHBondContact O-N 3.08Å; P510-N512 VanDerWaalsContact O-N 3.17Å; P510-Y513 HydrophobicContact CB-CD2 4.48Å; P510-Y513 WeakPolarHBondContact O-CB 3.24Å; P510-Y513 WeakPolarHBondContact O-CD2 3.26Å; P510-Y513 PolarHBondContact O-N 2.91Å; P510-Y513 VanDerWaalsContact O-N 3.15Å
511	R	82.2	Confident	69	Low	3 Å²	3	65.4 Å²	65.4	1%	0.011	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-29	175.6	67.4	169.6	174.7	-121.6	-23.9	114.7	P273 P344 E346 S497 L500 A509 Y513 L514 I515	P273-R511 HydrophobicContact CB-CB 3.97Å; P273-R511 WeakPolarHBondContact O-CD 3.37Å; P344-R511 WeakPolarHBondContact O-CA 3.44Å; P344-R511 VanDerWaalsContact O-CB 3.31Å; P344-R511 WeakPolarHBondContact O-CB 3.48Å; E346-R511 PolarHBondContact OE1-N 3.02Å; E346-R511 VanDerWaalsContact OE1-N 3.15Å; S497-R511 PolarHBondContact O-NH2 3.27Å; S497-R511 VanDerWaalsContact O-NH2 3.12Å; S497-R511 PolarHBondContact OG-NE 3.3Å; S497-R511 PolarHBondContact OG-NH2 2.99Å; L500-R511 VanDerWaalsContact CD1-CZ 3.44Å; A509-R511 HydrophobicContact CB-CG 4.1Å; A509-R511 PolarHBondContact O-N 2.92Å; A509-R511 VanDerWaalsContact O-N 3.15Å; R511-Y513 PolarHBondContact O-N 2.98Å; R511-L514 WeakPolarHBondContact O-CB 3.17Å; R511-L514 PolarHBondContact O-N 3.06Å; R511-I515 PolarHBondContact O-N 2.85Å
512	N	82.4	Confident	66.4	Low	34 Å²	34	69.4 Å²	69.4	18%	0.182	39%	0.39	C	S	.	.	H	α-helix	trans	-66.1	-27.2	-177.6	-63	-3.9	0	0	0	110.4	S497 I508 A509 P510 L514 I515 D516	S497-N512 WeakPolarHBondContact CB-OD1 3.47Å; S497-N512 PolarHBondContact OG-ND2 3.34Å; S497-N512 PolarHBondContact OG-OD1 3.28Å; I508-N512 HydrophobicContact CG2-CB 3.59Å; A509-N512 PolarHBondContact N-ND2 3.24Å; A509-N512 VanDerWaalsContact O-CB 3.23Å; A509-N512 WeakPolarHBondContact O-CB 2.95Å; A509-N512 PolarHBondContact O-N 3.14Å; P510-N512 PolarHBondContact O-N 3.08Å; P510-N512 VanDerWaalsContact O-N 3.17Å; N512-L514 PolarHBondContact O-N 3.25Å; N512-I515 PolarHBondContact O-N 3.24Å; N512-I515 VanDerWaalsContact O-N 3.15Å; N512-D516 WeakPolarHBondContact O-CB 2.76Å; N512-D516 PolarHBondContact O-N 2.87Å
513	Y	74.4	Confident	64.1	Low	66 Å²	66	72 Å²	72	26%	0.259	40%	0.4	S	S	.	.	H	α-helix	trans	-62.6	-25.8	173.8	-56.9	-56.9	0	0	0	113.3	I508 P510 R511	I508-Y513 HydrophobicContact CB-CE1 4.41Å; I508-Y513 HydrophobicContact CG2-CD1 4.32Å; I508-Y513 HydrophobicContact CG2-CE1 3.88Å; P510-Y513 HydrophobicContact CB-CD2 4.48Å; P510-Y513 WeakPolarHBondContact O-CB 3.24Å; P510-Y513 WeakPolarHBondContact O-CD2 3.26Å; P510-Y513 PolarHBondContact O-N 2.91Å; P510-Y513 VanDerWaalsContact O-N 3.15Å; R511-Y513 PolarHBondContact O-N 2.98Å
514	L	73.4	Confident	61.5	Low	58 Å²	58	74 Å²	74	30%	0.304	41%	0.413	S	S	.	.	H	α-helix	trans	-82.4	-32.1	174.5	-73.5	176.5	0	0	0	112.8	P273 P344 R511 N512	P273-L514 HydrophobicContact CB-CD1 4.43Å; P344-L514 HydrophobicContact CB-CD1 3.43Å; P344-L514 VanDerWaalsContact CB-CD1 3.43Å; P344-L514 HydrophobicContact CB-CG 3.54Å; P344-L514 HydrophobicContact CG-CD1 3.59Å; P344-L514 HydrophobicContact CG-CD2 4.22Å; P344-L514 HydrophobicContact CG-CG 3.75Å; R511-L514 WeakPolarHBondContact O-CB 3.17Å; R511-L514 PolarHBondContact O-N 3.06Å; N512-L514 PolarHBondContact O-N 3.25Å
515	I	70.7	Confident	58.8	Low	80 Å²	80	78.5 Å²	78.5	41%	0.41	44%	0.443	S	S	.	.	H	α-helix	trans	-76.9	-45.8	-177.4	-60.2	169.3	0	0	0	109.4	F274 R511 N512 K517	F274-I515 HydrophobicContact CE1-CD1 3.77Å; F274-I515 HydrophobicContact CZ-CD1 3.53Å; F274-I515 HydrophobicContact CZ-CG1 4Å; R511-I515 PolarHBondContact O-N 2.85Å; N512-I515 PolarHBondContact O-N 3.24Å; N512-I515 VanDerWaalsContact O-N 3.15Å; I515-K517 PolarHBondContact O-N 3.16Å
516	D	62.4	Low	56.7	Low	80 Å²	80	76.5 Å²	76.5	43%	0.428	42%	0.424	S	S	.	.			trans	-81.9	86.3	179.5	-71.9	-19.3	0	0	0	110.4	N512 S518 S519	N512-D516 WeakPolarHBondContact O-CB 2.76Å; N512-D516 PolarHBondContact O-N 2.87Å; D516-S518 PolarHBondContact O-N 3.44Å; D516-S519 WeakPolarHBondContact CB-OG 3.17Å; D516-S519 PolarHBondContact O-N 3.21Å; D516-S519 PolarHBondContact O-OG 3.35Å
517	K	53.5	Low	55.4	Low	199 Å²	199	80.3 Å²	80.3	87%	0.865	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-22.4	174.5	-68.8	-175.2	179.9	179.2	0	113.7	I515	I515-K517 PolarHBondContact O-N 3.16Å
518	S	42.2	Very low	54	Low	119 Å²	119	85 Å²	85	83%	0.832	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-13.9	177.4	51.5	0	0	0	0	114.6	D516	D516-S518 PolarHBondContact O-N 3.44Å
519	S	40.4	Very low	52.2	Low	48 Å²	48	85.5 Å²	85.5	34%	0.336	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.9	-2.1	-175.8	75.2	0	0	0	0	114.1	D516 K521	D516-S519 WeakPolarHBondContact CB-OG 3.17Å; D516-S519 PolarHBondContact O-N 3.21Å; D516-S519 PolarHBondContact O-OG 3.35Å; S519-K521 PolarHBondContact O-N 3.33Å
520	A	35.5	Very low	50	Low	56 Å²	56	93.1 Å²	93.1	46%	0.463	50%	0.5	S	S	.	.			trans	-67.3	74.7	176.4	0	0	0	0	0	110.5	H522	A520-H522 VanDerWaalsContact C-N 3.27Å; A520-H522 PolarHBondContact O-N 3.01Å
521	K	35	Very low	47.6	Very low	192 Å²	192	99.1 Å²	99.1	84%	0.835	53%	0.532	S	S	*	.			trans	-56.8	104.5	152.1	-82.3	-176.1	178	177.6	0	105.1	S519 L523	S519-K521 PolarHBondContact O-N 3.33Å; K521-L523 PolarHBondContact O-N 3.29Å
522	H	33.8	Very low	45.3	Very low	113 Å²	113	109.4 Å²	109.4	52%	0.523	57%	0.572	S	S	.	*			trans	-32.8	107.6	-178.6	-64.5	-103.3	0	0	0	111.7	A520 I524 E529	A520-H522 VanDerWaalsContact C-N 3.27Å; A520-H522 PolarHBondContact O-N 3.01Å; H522-I524 WeakPolarHBondContact CB-O 3.09Å; H522-I524 PolarHBondContact O-N 3.38Å; H522-E529 IonicContact CD2-OE2 3.84Å; H522-E529 IonicContact CE1-OE1 3.69Å; H522-E529 PolarHBondContact CE1-OE1 2.88Å; H522-E529 IonicContact CE1-OE2 3.95Å; H522-E529 IonicContact ND1-OE1 3.47Å; H522-E529 IonicContact NE2-OE1 2.92Å; H522-E529 IonicContact NE2-OE2 3.32Å; H522-E529 PolarHBondContact NE2-OE2 2.89Å
523	L	39.8	Very low	42.8	Very low	109 Å²	109	116.3 Å²	116.3	57%	0.571	60%	0.603	S	S	*	*	S	Bend	trans	-67.2	3.9	173.6	-75.9	166.1	0	0	0	112.4	K521	K521-L523 PolarHBondContact O-N 3.29Å
524	I	32.7	Very low	40.7	Very low	88 Å²	88	121.5 Å²	121.5	45%	0.451	63%	0.63	S	S	.	*	S	Bend	trans	-143.6	115.2	169.6	-54.8	176.6	0	0	0	106.3	T15 H522 S526	T15-I524 HydrophobicContact CG2-CD1 3.86Å; H522-I524 WeakPolarHBondContact CB-O 3.09Å; H522-I524 PolarHBondContact O-N 3.38Å; I524-S526 PolarHBondContact O-N 2.94Å
525	P	30.9	Very low	38.8	Very low	117 Å²	117	127.5 Å²	127.5	76%	0.76	65%	0.653	S	S	*	*			trans	-58.1	113.8	167.7	-14.3	26.9	0	0	0	107.5	S527	P525-S527 PolarHBondContact O-N 3.47Å
526	S	30.7	Very low	37	Very low	43 Å²	43	134.1 Å²	134.1	30%	0.301	68%	0.679	S	S	.	*			trans	-62.7	127.4	167.8	37.7	0	0	0	0	106.6	I524 E528 E529	I524-S526 PolarHBondContact O-N 2.94Å; S526-E528 PolarHBondContact O-N 3.39Å; S526-E529 PolarHBondContact O-N 3.5Å; S526-E529 WeakPolarHBondContact OG-CG 3.35Å; S526-E529 PolarHBondContact OG-OE1 2.96Å
527	S	37.5	Very low	35.4	Very low	121 Å²	121	133.4 Å²	133.4	85%	0.846	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.3	12.1	177	55.7	0	0	0	0	113.6	P525	P525-S527 PolarHBondContact O-N 3.47Å
528	E	38	Very low	34.2	Very low	162 Å²	162	131.4 Å²	131.4	76%	0.757	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.1	-5	-171.5	-64.1	-174.8	170	0	0	112.9	S526	S526-E528 PolarHBondContact O-N 3.39Å
529	E	36.2	Very low	33.8	Very low	103 Å²	103	132.3 Å²	132.3	48%	0.481	68%	0.684	S	S	.	*			trans	-98.4	12.2	-175.8	-74.7	178.2	-145.7	0	0	115.6	H522 S526 N531	H522-E529 IonicContact CD2-OE2 3.84Å; H522-E529 IonicContact CE1-OE1 3.69Å; H522-E529 PolarHBondContact CE1-OE1 2.88Å; H522-E529 IonicContact CE1-OE2 3.95Å; H522-E529 IonicContact ND1-OE1 3.47Å; H522-E529 IonicContact NE2-OE1 2.92Å; H522-E529 IonicContact NE2-OE2 3.32Å; H522-E529 PolarHBondContact NE2-OE2 2.89Å; S526-E529 PolarHBondContact O-N 3.5Å; S526-E529 WeakPolarHBondContact OG-CG 3.35Å; S526-E529 PolarHBondContact OG-OE1 2.96Å; E529-N531 PolarHBondContact O-N 3.26Å
530	D	36.1	Very low	33.4	Very low	162 Å²	162	134.9 Å²	134.9	87%	0.866	70%	0.702	S	S	*	*	S	Bend	trans	-70.9	16.8	168	-84.5	-19.7	0	0	0	113.6
531	N	32.1	Very low	33.5	Very low	129 Å²	129	143.3 Å²	143.3	69%	0.69	72%	0.722	S	S	*	*			trans	-133.4	44.4	-172	-77.7	-32.9	0	0	0	114	E529	E529-N531 PolarHBondContact O-N 3.26Å
532	Y	33.5	Very low	33.7	Very low	219 Å²	219	141.7 Å²	141.7	86%	0.859	72%	0.721	S	S	*	*			trans	-137.8	96.5	161.7	-78.9	-77	0	0	0	112.6
533	H	30	Very low	34.2	Very low	179 Å²	179	144.7 Å²	144.7	83%	0.829	74%	0.736	S	S	*	*			trans	-60.3	130.2	151.2	-75.8	-84.4	0	0	0	109.5
534	E	30.8	Very low	34.9	Very low	175 Å²	175	143.3 Å²	143.3	82%	0.818	73%	0.729	S	S	*	*				160	139.4	121.5	-86.4	-178.9	178.7	0	0	112.2
535	K	32.3	Very low	36.7	Very low	183 Å²	183	141.3 Å²	141.3	80%	0.796	72%	0.723	S	S	*	*			trans	87.5	54.1	170.2	-53.3	-176.9	-178.1	176.5	0	118.5
536	F	33.1	Very low	38.7	Very low	219 Å²	219	143 Å²	143	96%	0.961	72%	0.72	S	S	*	*			trans	-138.3	128.9	139.7	-91.1	-81.9	0	0	0	109.1
537	G	29.5	Very low	40.6	Very low	66 Å²	66	145.9 Å²	145.9	68%	0.68	74%	0.736	S	S	*	*			trans	-65.2	152.1	-169.4	0	0	0	0	0	114.7
538	D	28.2	Very low	41.9	Very low	156 Å²	156	144.7 Å²	144.7	83%	0.834	72%	0.717	S	S	*	*			trans	43.2	70.6	155.4	-76.6	-13.4	0	0	0	118.1
539	I	34	Very low	43.3	Very low	139 Å²	139	144 Å²	144	71%	0.713	71%	0.708	S	S	*	*			trans	-131	49.4	153.4	-45.7	177.5	0	0	0	110.4	R541 L542	I539-R541 VanDerWaalsContact C-N 3.32Å; I539-R541 PolarHBondContact O-N 2.9Å; I539-L542 HydrophobicContact CG2-CD1 3.88Å; I539-L542 HydrophobicContact CG2-CG 4.36Å
540	S	32.5	Very low	45	Very low	102 Å²	102	146 Å²	146	71%	0.713	72%	0.715	S	S	*	*			trans	-87.9	69.4	161.6	42.6	0	0	0	0	109.5
541	R	36	Very low	46.4	Very low	232 Å²	232	141 Å²	141	88%	0.875	70%	0.696	S	S	*	*			trans	-171.4	19.3	167.3	-112.4	168.6	-160.2	-165.5	6.1	119	I539 Q543	I539-R541 VanDerWaalsContact C-N 3.32Å; I539-R541 PolarHBondContact O-N 2.9Å; R541-Q543 VanDerWaalsContact C-N 3.31Å; R541-Q543 PolarHBondContact O-N 2.95Å
542	L	39.2	Very low	47.8	Very low	158 Å²	158	139.9 Å²	139.9	83%	0.827	69%	0.689	S	S	*	*			trans	-81.8	82.8	169.8	-80.5	160.9	0	0	0	110.4	I539 L544	I539-L542 HydrophobicContact CG2-CD1 3.88Å; I539-L542 HydrophobicContact CG2-CG 4.36Å; L542-L544 PolarHBondContact O-N 2.82Å; L542-L544 VanDerWaalsContact O-N 3.14Å
543	Q	45.4	Very low	49.3	Very low	177 Å²	177	136.7 Å²	136.7	83%	0.827	68%	0.68	S	S	*	*			trans	-64.7	106	164.7	-72.9	-171	-12	0	0	108.5	R541 S545	R541-Q543 VanDerWaalsContact C-N 3.31Å; R541-Q543 PolarHBondContact O-N 2.95Å; Q543-S545 PolarHBondContact O-N 2.89Å
544	L	54	Low	50.7	Low	80 Å²	80	131.1 Å²	131.1	42%	0.419	66%	0.661	S	S	.	*			trans	-49.8	126.5	164.2	-78	152.8	0	0	0	109	L542 E548 R549 L552	L542-L544 PolarHBondContact O-N 2.82Å; L542-L544 VanDerWaalsContact O-N 3.14Å; L544-E548 HydrophobicContact CB-CB 4.39Å; L544-E548 HydrophobicContact CD2-CB 3.68Å; L544-E548 HydrophobicContact CD2-CG 4.42Å; L544-R549 HydrophobicContact CB-CG 3.97Å; L544-L552 HydrophobicContact CD1-CD1 4.4Å; L544-L552 HydrophobicContact CD2-CD1 4.31Å
545	S	71.6	Confident	51.7	Low	46 Å²	46	126 Å²	126	32%	0.322	64%	0.644	S	S	.	*			trans	-57.9	153.6	173.8	59.6	0	0	0	0	110.6	Q543 T547 E548 R549	Q543-S545 PolarHBondContact O-N 2.89Å; S545-T547 PolarHBondContact O-N 3.37Å; S545-T547 VanDerWaalsContact O-N 3.13Å; S545-T547 PolarHBondContact OG-OG1 3.25Å; S545-E548 WeakPolarHBondContact CB-OE2 3.45Å; S545-E548 PolarHBondContact N-OE2 3.12Å; S545-E548 PolarHBondContact O-N 2.74Å; S545-E548 WeakPolarHBondContact OG-CB 3.42Å; S545-E548 WeakPolarHBondContact OG-CG 3.42Å; S545-E548 PolarHBondContact OG-N 2.7Å; S545-E548 PolarHBondContact OG-OE2 3.3Å; S545-R549 PolarHBondContact O-N 3.01Å
546	E	70.9	Confident	52.5	Low	151 Å²	151	118.6 Å²	118.6	71%	0.706	62%	0.62	S	S	*	*	H	α-helix	trans	-56.8	-29.5	176.9	-83.8	-166.8	152.7	0	0	112.6	K550	E546-K550 WeakPolarHBondContact O-CB 3.33Å; E546-K550 VanDerWaalsContact O-CG 3.29Å; E546-K550 WeakPolarHBondContact O-CG 3.47Å; E546-K550 PolarHBondContact O-N 2.89Å
547	T	72.7	Confident	53.2	Low	104 Å²	104	115.5 Å²	115.5	64%	0.638	61%	0.609	S	S	*	*	H	α-helix	trans	-68.6	-44.2	175	43.5	0	0	0	0	111.7	S545 K550 A551	S545-T547 PolarHBondContact O-N 3.37Å; S545-T547 VanDerWaalsContact O-N 3.13Å; S545-T547 PolarHBondContact OG-OG1 3.25Å; T547-K550 PolarHBondContact O-N 2.9Å; T547-A551 WeakPolarHBondContact O-CB 3.28Å; T547-A551 PolarHBondContact O-N 3.41Å
548	E	62.9	Low	53.9	Low	97 Å²	97	118.8 Å²	118.8	45%	0.453	61%	0.61	S	S	.	*	H	α-helix	trans	-67.7	-38.6	175.6	-70.1	161.7	153.5	0	0	111.9	L544 S545 A551 L552	L544-E548 HydrophobicContact CB-CB 4.39Å; L544-E548 HydrophobicContact CD2-CB 3.68Å; L544-E548 HydrophobicContact CD2-CG 4.42Å; S545-E548 WeakPolarHBondContact CB-OE2 3.45Å; S545-E548 PolarHBondContact N-OE2 3.12Å; S545-E548 PolarHBondContact O-N 2.74Å; S545-E548 WeakPolarHBondContact OG-CB 3.42Å; S545-E548 WeakPolarHBondContact OG-CG 3.42Å; S545-E548 PolarHBondContact OG-N 2.7Å; S545-E548 PolarHBondContact OG-OE2 3.3Å; E548-A551 PolarHBondContact O-N 2.97Å; E548-L552 WeakPolarHBondContact O-CB 3.41Å; E548-L552 PolarHBondContact O-N 3.35Å
549	R	69.1	Low	54.6	Low	147 Å²	147	116.3 Å²	116.3	56%	0.555	60%	0.601	S	S	*	*	H	α-helix	trans	-64.6	-37.5	172.5	-83.9	178.4	171.9	165.4	-0.9	112.7	L544 S545 K553	L544-R549 HydrophobicContact CB-CG 3.97Å; S545-R549 PolarHBondContact O-N 3.01Å; R549-K553 WeakPolarHBondContact O-CB 3.38Å; R549-K553 WeakPolarHBondContact O-CG 3.41Å; R549-K553 PolarHBondContact O-N 3.26Å; R549-K553 VanDerWaalsContact O-N 3.08Å
550	K	71.3	Confident	55.1	Low	146 Å²	146	118.7 Å²	118.7	64%	0.635	61%	0.606	S	S	*	*	H	α-helix	trans	-70.1	-36.4	174.7	-80.1	173.8	179.7	169.5	0	111.9	E546 T547 K553 S554	E546-K550 WeakPolarHBondContact O-CB 3.33Å; E546-K550 VanDerWaalsContact O-CG 3.29Å; E546-K550 WeakPolarHBondContact O-CG 3.47Å; E546-K550 PolarHBondContact O-N 2.89Å; T547-K550 PolarHBondContact O-N 2.9Å; K550-K553 PolarHBondContact O-N 3.41Å; K550-S554 WeakPolarHBondContact O-CB 3.29Å; K550-S554 PolarHBondContact O-N 3.45Å; K550-S554 PolarHBondContact O-OG 3.49Å
551	A	65.8	Low	55.6	Low	56 Å²	56	118.6 Å²	118.6	46%	0.463	61%	0.605	S	S	.	*	H	α-helix	trans	-68.9	-37.3	175.6	0	0	0	0	0	113.1	T547 E548 S554 S555	T547-A551 WeakPolarHBondContact O-CB 3.28Å; T547-A551 PolarHBondContact O-N 3.41Å; E548-A551 PolarHBondContact O-N 2.97Å; A551-S554 WeakPolarHBondContact CA-OG 3.37Å; A551-S554 PolarHBondContact O-OG 2.94Å; A551-S555 PolarHBondContact O-N 3.46Å; A551-S555 VanDerWaalsContact O-N 3.11Å
552	L	60.3	Low	55.5	Low	105 Å²	105	115.6 Å²	115.6	55%	0.55	60%	0.598	S	S	.	*	H	α-helix	trans	-69	-39.4	173.7	-98.7	151.4	0	0	0	112.4	L544 E548 S555 G556	L544-L552 HydrophobicContact CD1-CD1 4.4Å; L544-L552 HydrophobicContact CD2-CD1 4.31Å; E548-L552 WeakPolarHBondContact O-CB 3.41Å; E548-L552 PolarHBondContact O-N 3.35Å; L552-S555 PolarHBondContact O-OG 2.99Å; L552-G556 PolarHBondContact O-N 3.42Å; L552-G556 VanDerWaalsContact O-N 3.1Å
553	K	65.3	Low	55.1	Low	152 Å²	152	117.6 Å²	117.6	66%	0.661	60%	0.601	S	S	*	*	H	α-helix	trans	-68.7	-37.2	175.4	-75.6	-178.8	178.3	-174.7	0	112.1	R549 K550 G556 E557	R549-K553 WeakPolarHBondContact O-CB 3.38Å; R549-K553 WeakPolarHBondContact O-CG 3.41Å; R549-K553 PolarHBondContact O-N 3.26Å; R549-K553 VanDerWaalsContact O-N 3.08Å; K550-K553 PolarHBondContact O-N 3.41Å; K553-G556 PolarHBondContact O-N 3.01Å; K553-E557 PolarHBondContact O-N 3.31Å
554	S	59.2	Low	54.2	Low	63 Å²	63	115.2 Å²	115.2	44%	0.441	60%	0.603	S	S	.	*	H	α-helix	trans	-70.1	-32.3	176.6	64.8	0	0	0	0	113	K550 A551 L558	K550-S554 WeakPolarHBondContact O-CB 3.29Å; K550-S554 PolarHBondContact O-N 3.45Å; K550-S554 PolarHBondContact O-OG 3.49Å; A551-S554 WeakPolarHBondContact CA-OG 3.37Å; A551-S554 PolarHBondContact O-OG 2.94Å; S554-L558 WeakPolarHBondContact O-CD1 3.48Å
555	S	52.3	Low	52.9	Low	66 Å²	66	117.1 Å²	117.1	46%	0.462	62%	0.618	S	S	.	*	H	α-helix	trans	-73.6	-31.5	172.8	96.6	0	0	0	0	112.9	A551 L552 T559	A551-S555 PolarHBondContact O-N 3.46Å; A551-S555 VanDerWaalsContact O-N 3.11Å; L552-S555 PolarHBondContact O-OG 2.99Å; S555-T559 WeakPolarHBondContact O-CG2 3.46Å; S555-T559 PolarHBondContact O-OG1 3.47Å; S555-T559 VanDerWaalsContact O-OG1 3.13Å
556	G	48.9	Very low	50.7	Low	28 Å²	28	124.8 Å²	124.8	29%	0.289	64%	0.64	S	S	.	*	H	α-helix	trans	-73.9	-22.3	177.6	0	0	0	0	0	115.2	L552 K553 T559	L552-G556 PolarHBondContact O-N 3.42Å; L552-G556 VanDerWaalsContact O-N 3.1Å; K553-G556 PolarHBondContact O-N 3.01Å; G556-T559 PolarHBondContact O-OG1 3.43Å
557	E	48.2	Very low	48.6	Very low	155 Å²	155	126.2 Å²	126.2	72%	0.724	65%	0.652	S	S	*	*	H	α-helix	trans	-88.3	-27.3	176.8	-74.9	177.6	176.2	0	0	112.9	K553 T559	K553-E557 PolarHBondContact O-N 3.31Å; E557-T559 VanDerWaalsContact C-N 3.29Å; E557-T559 PolarHBondContact O-N 3.47Å
558	L	44	Very low	46.4	Very low	135 Å²	135	130.7 Å²	130.7	71%	0.707	66%	0.659	S	S	*	*	H	α-helix	trans	-73.8	-16.8	175.3	-86.3	155.6	0	0	0	113.9	S554	S554-L558 WeakPolarHBondContact O-CD1 3.48Å
559	T	43.2	Very low	45	Very low	104 Å²	104	132.3 Å²	132.3	64%	0.638	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.8	-10.2	-174	43.7	0	0	0	0	114.2	S555 G556 E557	S555-T559 WeakPolarHBondContact O-CG2 3.46Å; S555-T559 PolarHBondContact O-OG1 3.47Å; S555-T559 VanDerWaalsContact O-OG1 3.13Å; G556-T559 PolarHBondContact O-OG1 3.43Å; E557-T559 VanDerWaalsContact C-N 3.29Å; E557-T559 PolarHBondContact O-N 3.47Å
560	K	43.4	Very low	43.2	Very low	189 Å²	189	130.1 Å²	130.1	82%	0.822	68%	0.682	S	S	*	*	S	Bend	trans	-87	-8.6	-177.5	-72	-177.5	179.9	177.7	0	115.7
561	S	42.8	Very low	41.5	Very low	100 Å²	100	133.1 Å²	133.1	70%	0.699	70%	0.695	S	S	*	*	S	Bend	trans	-114.5	2.7	-173.9	81.6	0	0	0	0	116.8
562	K	34.5	Very low	40.3	Very low	168 Å²	168	141.4 Å²	141.4	73%	0.73	72%	0.715	S	S	*	*			trans	-125.6	108.4	-179.3	-76.6	178.6	178.4	173.6	0	111.8
563	K	31.4	Very low	39.1	Very low	201 Å²	201	140.2 Å²	140.2	87%	0.874	71%	0.713	S	S	*	*			trans	-40.9	138.4	163.4	-71.3	178.2	176	178.8	0	109.7	T565	K563-T565 VanDerWaalsContact C-N 3.34Å; K563-T565 PolarHBondContact O-N 2.97Å
564	S	25.6	Very low	37.8	Very low	126 Å²	126	138.4 Å²	138.4	88%	0.881	71%	0.707	S	S	*	*			trans	-46.1	88.5	-176.7	60.9	0	0	0	0	112.9	R566	S564-R566 PolarHBondContact O-N 3.01Å
565	T	27.9	Very low	37	Very low	120 Å²	120	140.1 Å²	140.1	74%	0.736	72%	0.717	S	S	*	*			trans	-76.1	120.3	167.7	23.9	0	0	0	0	107.3	K563 L567	K563-T565 VanDerWaalsContact C-N 3.34Å; K563-T565 PolarHBondContact O-N 2.97Å; T565-L567 PolarHBondContact O-N 3.15Å
566	R	24.8	Very low	36.2	Very low	207 Å²	207	141.4 Å²	141.4	78%	0.781	72%	0.718	S	S	*	*			trans	-24.6	128.6	164.5	-73.5	174.1	171.6	174.9	-3.6	110.8	S564 Y568	S564-R566 PolarHBondContact O-N 3.01Å; R566-Y568 HydrophobicContact CB-CD2 4.42Å; R566-Y568 PolarHBondContact O-N 2.7Å
567	L	26.8	Very low	35.7	Very low	182 Å²	182	144.3 Å²	144.3	95%	0.953	73%	0.727	S	S	*	*			trans	-58.3	84.2	166.2	-74.2	162.8	0	0	0	108.3	T565 T569	T565-L567 PolarHBondContact O-N 3.15Å; L567-T569 PolarHBondContact O-N 2.81Å
568	Y	27.4	Very low	35.1	Very low	198 Å²	198	143 Å²	143	78%	0.776	72%	0.723	S	S	*	*			trans	-67.4	113.2	158.8	-90.3	-84.8	0	0	0	105.4	R566 S570	R566-Y568 HydrophobicContact CB-CD2 4.42Å; R566-Y568 PolarHBondContact O-N 2.7Å; Y568-S570 PolarHBondContact O-N 2.99Å
569	T	33.3	Very low	34.7	Very low	131 Å²	131	143.8 Å²	143.8	80%	0.804	72%	0.722	S	S	*	*			trans	-52.4	126.2	159.1	49.9	0	0	0	0	107.4	L567 K571	L567-T569 PolarHBondContact O-N 2.81Å; T569-K571 PolarHBondContact O-N 2.62Å
570	S	30.6	Very low	34.3	Very low	101 Å²	101	145.3 Å²	145.3	71%	0.706	72%	0.72	S	S	*	*			trans	-46.2	138.1	171.2	51.3	0	0	0	0	109.7	Y568 R572	Y568-S570 PolarHBondContact O-N 2.99Å; S570-R572 PolarHBondContact O-N 2.81Å
571	K	36.4	Very low	33.9	Very low	208 Å²	208	146.1 Å²	146.1	90%	0.904	72%	0.724	S	S	*	*			trans	-50.4	111.8	168.9	-76.9	-177.4	176.4	-178.7	0	107.3	T569	T569-K571 PolarHBondContact O-N 2.62Å
572	R	40.4	Very low	33.8	Very low	231 Å²	231	149.4 Å²	149.4	87%	0.872	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-57.8	136.3	170.1	-74.2	-174	176.9	-177	-1.1	107.2	S570	S570-R572 PolarHBondContact O-N 2.81Å
573	P	35.2	Very low	34.3	Very low	80 Å²	80	150.7 Å²	150.7	52%	0.519	74%	0.739	S	S	.	*	P	Polyproline II helix	trans	-58	147.9	-179.3	24.3	-31.6	0	0	0	109.8	D577 F579	P573-D577 HydrophobicContact CB-CB 4.24Å; P573-D577 VanDerWaalsContact CB-OD2 3.29Å; P573-D577 WeakPolarHBondContact CB-OD2 3.43Å; P573-F579 HydrophobicContact CG-CZ 4.35Å
574	H	36.7	Very low	35.1	Very low	114 Å²	114	143.6 Å²	143.6	53%	0.528	71%	0.713	S	S	.	*	P	Polyproline II helix	trans	-66.1	145.1	-179.4	-170.2	-77.5	0	0	0	108.1	N576 D577	H574-N576 PolarHBondContact CE1-ND2 3.29Å; H574-N576 WeakPolarHBondContact ND1-CB 3.36Å; H574-N576 PolarHBondContact ND1-N 2.89Å; H574-N576 PolarHBondContact O-N 3.43Å; H574-D577 PolarHBondContact N-OD2 3.21Å; H574-D577 VanDerWaalsContact N-OD2 3.07Å; H574-D577 WeakPolarHBondContact O-CB 3.48Å; H574-D577 PolarHBondContact O-N 2.78Å
575	P	42.8	Very low	36.9	Very low	99 Å²	99	143.1 Å²	143.1	64%	0.643	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62	5.7	176.6	22.6	-32.5	0	0	0	115.2
576	N	36.8	Very low	38.5	Very low	93 Å²	93	147 Å²	147	50%	0.497	70%	0.702	S	S	.	*	T	Hydrogen-bonded Turn	trans	-108.8	4.1	172.7	-68.1	-10.4	0	0	0	112.6	H574 I578	H574-N576 PolarHBondContact CE1-ND2 3.29Å; H574-N576 WeakPolarHBondContact ND1-CB 3.36Å; H574-N576 PolarHBondContact ND1-N 2.89Å; H574-N576 PolarHBondContact O-N 3.43Å; N576-I578 PolarHBondContact O-N 3.07Å; N576-I578 VanDerWaalsContact O-N 3.09Å
577	D	37.4	Very low	40.8	Very low	88 Å²	88	144.8 Å²	144.8	47%	0.471	70%	0.698	S	S	.	*			trans	-77.5	93.8	172.4	-71.3	-31.3	0	0	0	108.3	P573 H574 F579	P573-D577 HydrophobicContact CB-CB 4.24Å; P573-D577 VanDerWaalsContact CB-OD2 3.29Å; P573-D577 WeakPolarHBondContact CB-OD2 3.43Å; H574-D577 PolarHBondContact N-OD2 3.21Å; H574-D577 VanDerWaalsContact N-OD2 3.07Å; H574-D577 WeakPolarHBondContact O-CB 3.48Å; H574-D577 PolarHBondContact O-N 2.78Å; D577-F579 WeakPolarHBondContact O-CD2 3.45Å; D577-F579 PolarHBondContact O-N 2.91Å
578	I	35.7	Very low	42.9	Very low	127 Å²	127	139.7 Å²	139.7	65%	0.651	67%	0.674	S	S	*	*			trans	-67.2	113	177.9	-61.1	167.2	0	0	0	108.4	N576 F580	N576-I578 PolarHBondContact O-N 3.07Å; N576-I578 VanDerWaalsContact O-N 3.09Å; I578-F580 HydrophobicContact CB-CE2 4.21Å; I578-F580 HydrophobicContact CG2-CD2 4.01Å; I578-F580 HydrophobicContact CG2-CE1 4.24Å; I578-F580 HydrophobicContact CG2-CE2 3.58Å; I578-F580 HydrophobicContact CG2-CZ 3.72Å; I578-F580 PolarHBondContact O-N 3.22Å
579	F	34.7	Very low	44.5	Very low	153 Å²	153	132.1 Å²	132.1	67%	0.671	65%	0.647	S	S	*	*			trans	-82.1	104.3	171.5	-69.6	-84.9	0	0	0	109.6	P573 D577 F581	P573-F579 HydrophobicContact CG-CZ 4.35Å; D577-F579 WeakPolarHBondContact O-CD2 3.45Å; D577-F579 PolarHBondContact O-N 2.91Å; F579-F581 PolarHBondContact O-N 2.71Å
580	F	35.1	Very low	46.1	Very low	136 Å²	136	129.4 Å²	129.4	60%	0.596	63%	0.627	S	S	*	*			trans	-77.7	111.4	163.7	-67.2	-81	0	0	0	108.6	I578 K582 L589	I578-F580 HydrophobicContact CB-CE2 4.21Å; I578-F580 HydrophobicContact CG2-CD2 4.01Å; I578-F580 HydrophobicContact CG2-CE1 4.24Å; I578-F580 HydrophobicContact CG2-CE2 3.58Å; I578-F580 HydrophobicContact CG2-CZ 3.72Å; I578-F580 PolarHBondContact O-N 3.22Å; F580-K582 PolarHBondContact O-N 2.85Å; F580-L589 HydrophobicContact CD2-CD2 4.32Å
581	F	34.7	Very low	48.1	Very low	206 Å²	206	129.2 Å²	129.2	90%	0.904	62%	0.617	S	S	*	*			trans	-71.4	72.9	166.8	-78.5	-85.9	0	0	0	109.7	F579	F579-F581 PolarHBondContact O-N 2.71Å
582	K	40.5	Very low	49.7	Very low	168 Å²	168	124.4 Å²	124.4	73%	0.73	60%	0.598	S	S	*	*	S	Bend	trans	-153.1	133.7	160.2	-115.5	177.3	179.9	178.5	0	107.7	F580 T584	F580-K582 PolarHBondContact O-N 2.85Å; K582-T584 HydrophobicContact CB-CG2 4.33Å; K582-T584 PolarHBondContact O-N 3.47Å; K582-T584 PolarHBondContact O-OG1 3.36Å
583	L	46.5	Very low	50.7	Low	196 Å²	196	117.6 Å²	117.6	100%	1.026	58%	0.578	S	S	*	*			trans	-67.6	72.3	166.4	-93.4	151.8	0	0	0	108.3
584	T	48.6	Very low	52	Low	52 Å²	52	121.4 Å²	121.4	32%	0.319	59%	0.587	S	S	.	*			trans	-104.5	127.4	175.3	25.2	0	0	0	0	109	K582 L589	K582-T584 HydrophobicContact CB-CG2 4.33Å; K582-T584 PolarHBondContact O-N 3.47Å; K582-T584 PolarHBondContact O-OG1 3.36Å; T584-L589 VanDerWaalsContact OG1-CD1 3.3Å; T584-L589 WeakPolarHBondContact OG1-CD1 3.45Å
585	D	61.8	Low	53.3	Low	116 Å²	116	124 Å²	124	62%	0.62	60%	0.599	S	S	*	*			trans	-57.2	139.3	-179.8	-164.3	3.6	0	0	0	110.3	K587 T588 L589	D585-K587 PolarHBondContact O-N 3.39Å; D585-T588 PolarHBondContact O-N 2.77Å; D585-T588 PolarHBondContact O-OG1 3.13Å; D585-L589 PolarHBondContact O-N 3.38Å
586	R	62.4	Low	54.3	Low	202 Å²	202	127.2 Å²	127.2	76%	0.762	61%	0.605	S	S	*	*	H	α-helix	trans	-56.8	-28.8	-171.7	-179.6	179.3	176.2	-174.3	0.4	112.4	I590	R586-I590 HydrophobicContact CG-CD1 4.03Å; R586-I590 WeakPolarHBondContact O-CD1 3.5Å; R586-I590 VanDerWaalsContact O-CG1 3.25Å; R586-I590 WeakPolarHBondContact O-CG1 3.26Å; R586-I590 PolarHBondContact O-N 3.24Å
587	K	73	Confident	54.9	Low	160 Å²	160	129.5 Å²	129.5	70%	0.696	62%	0.615	S	S	*	*	H	α-helix	trans	-74	-38.5	-179.9	-71.8	-179.2	178	177.1	0	113.2	D585 N591	D585-K587 PolarHBondContact O-N 3.39Å; K587-N591 PolarHBondContact O-N 3.42Å
588	T	71.9	Confident	55.4	Low	74 Å²	74	129.6 Å²	129.6	45%	0.454	62%	0.62	S	S	.	*	H	α-helix	trans	-70	-39.9	178.7	33.1	0	0	0	0	111	D585 I590 N591 E592	D585-T588 PolarHBondContact O-N 2.77Å; D585-T588 PolarHBondContact O-OG1 3.13Å; T588-I590 PolarHBondContact O-N 2.73Å; T588-N591 PolarHBondContact O-N 3.47Å; T588-N591 VanDerWaalsContact O-N 3.12Å; T588-E592 PolarHBondContact O-N 3.36Å
589	L	60.7	Low	56	Low	39 Å²	39	131.9 Å²	131.9	20%	0.204	63%	0.634	C	S	.	*	H	α-helix	trans	-61.8	-40	175.8	-118.1	152.5	0	0	0	113	F580 T584 D585 N591 I593	F580-L589 HydrophobicContact CD2-CD2 4.32Å; T584-L589 VanDerWaalsContact OG1-CD1 3.3Å; T584-L589 WeakPolarHBondContact OG1-CD1 3.45Å; D585-L589 PolarHBondContact O-N 3.38Å; L589-N591 VanDerWaalsContact C-N 3.28Å; L589-N591 PolarHBondContact O-N 3.16Å; L589-I593 HydrophobicContact CD2-CD1 3.86Å; L589-I593 HydrophobicContact CD2-CG1 4.45Å; L589-I593 WeakPolarHBondContact O-CB 3.41Å; L589-I593 WeakPolarHBondContact O-CD1 3.33Å; L589-I593 WeakPolarHBondContact O-CG1 3.37Å; L589-I593 PolarHBondContact O-N 3.43Å
590	I	66.4	Low	56.2	Low	75 Å²	75	133.7 Å²	133.7	39%	0.385	64%	0.642	S	S	.	*	H	α-helix	trans	-69	-28.6	176.9	-70	168.9	0	0	0	111.7	R586 T588 K594	R586-I590 HydrophobicContact CG-CD1 4.03Å; R586-I590 WeakPolarHBondContact O-CD1 3.5Å; R586-I590 VanDerWaalsContact O-CG1 3.25Å; R586-I590 WeakPolarHBondContact O-CG1 3.26Å; R586-I590 PolarHBondContact O-N 3.24Å; T588-I590 PolarHBondContact O-N 2.73Å; I590-K594 HydrophobicContact CG2-CD 4.45Å; I590-K594 WeakPolarHBondContact O-CB 3.44Å; I590-K594 VanDerWaalsContact O-CG 3.28Å; I590-K594 WeakPolarHBondContact O-CG 3.48Å; I590-K594 PolarHBondContact O-N 3.48Å
591	N	71.6	Confident	56.4	Low	96 Å²	96	130.1 Å²	130.1	51%	0.513	64%	0.644	S	S	.	*	H	α-helix	trans	-80	-41.4	177.1	-72.9	-9.8	0	0	0	111.7	K587 T588 L589 I593 K594 E595	K587-N591 PolarHBondContact O-N 3.42Å; T588-N591 PolarHBondContact O-N 3.47Å; T588-N591 VanDerWaalsContact O-N 3.12Å; L589-N591 VanDerWaalsContact C-N 3.28Å; L589-N591 PolarHBondContact O-N 3.16Å; N591-I593 PolarHBondContact O-N 3.41Å; N591-K594 PolarHBondContact O-N 3.36Å; N591-K594 VanDerWaalsContact O-N 3.14Å; N591-E595 PolarHBondContact O-N 2.93Å
592	E	70.3	Confident	56.7	Low	107 Å²	107	122.7 Å²	122.7	50%	0.5	63%	0.625	S	S	.	*	H	α-helix	trans	-59.9	-44.3	172.2	-85.3	176	156.8	0	0	111.7	T588 K594 E595 E596	T588-E592 PolarHBondContact O-N 3.36Å; E592-K594 PolarHBondContact O-N 3Å; E592-E595 PolarHBondContact O-N 3.26Å; E592-E595 VanDerWaalsContact O-N 3.14Å; E592-E596 PolarHBondContact O-N 3.09Å
593	I	61.1	Low	57.1	Low	89 Å²	89	120.9 Å²	120.9	46%	0.456	63%	0.63	S	S	.	*	H	α-helix	trans	-63	-31.5	176.9	-69.1	166.5	0	0	0	111.6	L589 N591 M597	L589-I593 HydrophobicContact CD2-CD1 3.86Å; L589-I593 HydrophobicContact CD2-CG1 4.45Å; L589-I593 WeakPolarHBondContact O-CB 3.41Å; L589-I593 WeakPolarHBondContact O-CD1 3.33Å; L589-I593 WeakPolarHBondContact O-CG1 3.37Å; L589-I593 PolarHBondContact O-N 3.43Å; N591-I593 PolarHBondContact O-N 3.41Å; I593-M597 WeakPolarHBondContact O-CB 3.41Å; I593-M597 PolarHBondContact O-N 3.33Å
594	K	62.6	Low	57	Low	159 Å²	159	121 Å²	121	69%	0.691	62%	0.623	S	S	*	*	H	α-helix	trans	-79.5	-24.6	176.3	-80.5	177.9	176.2	-175.9	0	113.7	I590 N591 E592	I590-K594 HydrophobicContact CG2-CD 4.45Å; I590-K594 WeakPolarHBondContact O-CB 3.44Å; I590-K594 VanDerWaalsContact O-CG 3.28Å; I590-K594 WeakPolarHBondContact O-CG 3.48Å; I590-K594 PolarHBondContact O-N 3.48Å; N591-K594 PolarHBondContact O-N 3.36Å; N591-K594 VanDerWaalsContact O-N 3.14Å; E592-K594 PolarHBondContact O-N 3Å
595	E	65.4	Low	56.9	Low	170 Å²	170	120.7 Å²	120.7	79%	0.794	63%	0.63	S	S	*	*	H	α-helix	trans	-85.9	-38.2	177.4	-80.3	-176.4	157	0	0	112.5	N591 E592	N591-E595 PolarHBondContact O-N 2.93Å; E592-E595 PolarHBondContact O-N 3.26Å; E592-E595 VanDerWaalsContact O-N 3.14Å
596	E	62.4	Low	56.6	Low	165 Å²	165	126.1 Å²	126.1	77%	0.771	64%	0.642	S	S	*	*	H	α-helix	trans	-91.8	-21.6	-174.5	-71.6	-163.6	155.4	0	0	114.9	E592 P598	E592-E596 PolarHBondContact O-N 3.09Å; E596-P598 WeakPolarHBondContact O-CD 3.36Å
597	M	50.9	Low	56.7	Low	142 Å²	142	119.4 Å²	119.4	70%	0.7	62%	0.623	S	S	*	*			trans	-106.9	106.5	-179.1	-66.9	-157.7	165.2	0	0	112.2	I593	I593-M597 WeakPolarHBondContact O-CB 3.41Å; I593-M597 PolarHBondContact O-N 3.33Å
598	P	47	Very low	56.6	Low	89 Å²	89	116.4 Å²	116.4	58%	0.578	62%	0.62	S	S	*	*			trans	-63.4	141.5	165.2	26.6	-31.1	0	0	0	109.2	E596 F600	E596-P598 WeakPolarHBondContact O-CD 3.36Å; P598-F600 HydrophobicContact CG-CD2 4.15Å; P598-F600 HydrophobicContact CG-CE2 3.91Å; P598-F600 VanDerWaalsContact O-CD2 3.26Å; P598-F600 WeakPolarHBondContact O-CD2 3.47Å; P598-F600 PolarHBondContact O-N 3.32Å
599	D	48.7	Very low	56.6	Low	175 Å²	175	120 Å²	120	94%	0.936	63%	0.632	S	S	*	*			trans	-45.5	85	-176.3	-84.3	-35.2	0	0	0	114	G601	D599-G601 PolarHBondContact O-N 3.49Å
600	F	39.9	Very low	57.3	Low	191 Å²	191	122.1 Å²	122.1	84%	0.838	65%	0.648	S	S	*	*			trans	-93.5	85.9	172	-86.6	-75.1	0	0	0	110.1	P598 G602	P598-F600 HydrophobicContact CG-CD2 4.15Å; P598-F600 HydrophobicContact CG-CE2 3.91Å; P598-F600 VanDerWaalsContact O-CD2 3.26Å; P598-F600 WeakPolarHBondContact O-CD2 3.47Å; P598-F600 PolarHBondContact O-N 3.32Å; F600-G602 PolarHBondContact O-N 3.08Å
601	G	37.4	Very low	57.6	Low	62 Å²	62	125.7 Å²	125.7	64%	0.639	66%	0.657	S	S	*	*			trans	44.3	72.2	139	0	0	0	0	0	118.4	D599	D599-G601 PolarHBondContact O-N 3.49Å
602	G	41.1	Very low	57.7	Low	49 Å²	49	122.6 Å²	122.6	51%	0.505	64%	0.641	S	S	.	*			trans	-68.3	176.5	152.7	0	0	0	0	0	111.7	F600 F604 G605	F600-G602 PolarHBondContact O-N 3.08Å; G602-F604 PolarHBondContact O-N 3.1Å; G602-G605 PolarHBondContact O-N 3.45Å
603	P	50.2	Low	58.1	Low	130 Å²	130	119.7 Å²	119.7	84%	0.844	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.5	9.8	-179.2	22.9	-32.6	0	0	0	116.1
604	F	43.3	Very low	58.8	Low	199 Å²	199	122.2 Å²	122.2	87%	0.873	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.8	4.6	174.9	-63.3	-76.1	0	0	0	113.6	G602 R606	G602-F604 PolarHBondContact O-N 3.1Å; F604-R606 PolarHBondContact O-N 2.93Å
605	G	46.1	Very low	59.4	Low	46 Å²	46	118.4 Å²	118.4	47%	0.474	63%	0.627	S	S	.	*			trans	-75.8	114.7	179.4	0	0	0	0	0	111.5	G602 V607	G602-G605 PolarHBondContact O-N 3.45Å; G605-V607 PolarHBondContact O-N 3.11Å
606	R	55.9	Low	60.1	Low	229 Å²	229	115.9 Å²	115.9	86%	0.864	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-66.3	129.4	170.2	-74.2	-174.5	-175.6	-170.4	1.8	109.1	F604	F604-R606 PolarHBondContact O-N 2.93Å
607	V	64.4	Low	61.2	Low	61 Å²	61	114.9 Å²	114.9	37%	0.37	61%	0.608	S	S	.	*	P	Polyproline II helix	trans	-70.6	140.4	168.9	-160.8	0	0	0	0	107.7	G605 Y611 D612	G605-V607 PolarHBondContact O-N 3.11Å; V607-Y611 HydrophobicContact CG1-CG 4.48Å; V607-D612 WeakPolarHBondContact O-CB 3.3Å
608	P	71.1	Confident	62.6	Low	97 Å²	97	114.8 Å²	114.8	63%	0.63	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-60.7	146.7	175.1	-22.3	32.3	0	0	0	112.1	Y611 D612	P608-Y611 WeakPolarHBondContact O-CB 3.44Å; P608-Y611 PolarHBondContact O-N 2.96Å; P608-D612 PolarHBondContact O-N 3.39Å
609	E	72.5	Confident	64.1	Low	151 Å²	151	114.5 Å²	114.5	71%	0.706	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.9	140.1	166.5	-77.2	-146.8	172.5	0	0	110.1	S613	E609-S613 PolarHBondContact OE1-OG 3.36Å
610	P	75.4	Confident	65.6	Low	82 Å²	82	108.1 Å²	108.1	53%	0.532	56%	0.564	S	S	.	*	T	Hydrogen-bonded Turn	cis	-94.3	6.1	15.5	37.1	-34.9	0	0	0	114.6	S613 K614	P610-S613 PolarHBondContact O-N 3.21Å; P610-K614 PolarHBondContact O-N 2.71Å
611	Y	72.1	Confident	67.6	Low	151 Å²	151	102.6 Å²	102.6	59%	0.592	55%	0.549	S	S	*	.	H	α-helix	trans	-74.5	-31.9	-172.4	-62.2	-81.9	0	0	0	113	V607 P608 S613 K614 L615	V607-Y611 HydrophobicContact CG1-CG 4.48Å; P608-Y611 WeakPolarHBondContact O-CB 3.44Å; P608-Y611 PolarHBondContact O-N 2.96Å; Y611-S613 VanDerWaalsContact C-N 3.26Å; Y611-S613 PolarHBondContact O-N 2.97Å; Y611-K614 PolarHBondContact O-N 3.19Å; Y611-L615 WeakPolarHBondContact O-CB 3.38Å; Y611-L615 PolarHBondContact O-N 3.14Å
612	D	74.7	Confident	69.3	Low	30 Å²	30	104.7 Å²	104.7	16%	0.16	54%	0.541	C	S	.	.	H	α-helix	trans	-61.2	-36.4	174.3	-156	41.1	0	0	0	111.9	V607 P608 L615 K616	V607-D612 WeakPolarHBondContact O-CB 3.3Å; P608-D612 PolarHBondContact O-N 3.39Å; D612-L615 PolarHBondContact O-N 3.26Å; D612-K616 WeakPolarHBondContact O-CG 3.35Å; D612-K616 PolarHBondContact O-N 3.13Å; D612-K616 WeakPolarHBondContact OD2-CE 3.15Å; D612-K616 IonicContact OD2-NZ 2.77Å; D612-K616 PolarHBondContact OD2-NZ 2.87Å
613	S	77.7	Confident	70.7	Confident	47 Å²	47	110.8 Å²	110.8	33%	0.329	55%	0.548	S	S	.	.	H	α-helix	trans	-69.4	-44	178	-54.7	0	0	0	0	111.9	E609 P610 Y611 L615 K616 E617	E609-S613 PolarHBondContact OE1-OG 3.36Å; P610-S613 PolarHBondContact O-N 3.21Å; Y611-S613 VanDerWaalsContact C-N 3.26Å; Y611-S613 PolarHBondContact O-N 2.97Å; S613-L615 VanDerWaalsContact C-N 3.35Å; S613-L615 PolarHBondContact O-N 2.73Å; S613-K616 PolarHBondContact O-N 2.93Å; S613-E617 PolarHBondContact O-N 3.05Å
614	K	77.3	Confident	71.8	Confident	142 Å²	142	112.5 Å²	112.5	62%	0.617	55%	0.545	S	S	*	.	H	α-helix	trans	-63.9	-38.1	173.1	-79.3	-173.7	174.9	-180	0	112.7	P610 Y611 K616 E617 Y618	P610-K614 PolarHBondContact O-N 2.71Å; Y611-K614 PolarHBondContact O-N 3.19Å; K614-K616 VanDerWaalsContact C-N 3.35Å; K614-E617 PolarHBondContact O-N 2.98Å; K614-Y618 WeakPolarHBondContact O-CB 3.39Å; K614-Y618 PolarHBondContact O-N 3.33Å
615	L	74.6	Confident	73.1	Confident	79 Å²	79	107 Å²	107	41%	0.414	53%	0.531	S	S	.	.	H	α-helix	trans	-65.2	-40.6	177.2	-158.8	99.9	0	0	0	111	Y611 D612 S613 Y618 Q619	Y611-L615 WeakPolarHBondContact O-CB 3.38Å; Y611-L615 PolarHBondContact O-N 3.14Å; D612-L615 PolarHBondContact O-N 3.26Å; S613-L615 VanDerWaalsContact C-N 3.35Å; S613-L615 PolarHBondContact O-N 2.73Å; L615-Y618 PolarHBondContact O-N 2.85Å; L615-Q619 WeakPolarHBondContact O-CB 3.25Å; L615-Q619 VanDerWaalsContact O-CG 3.28Å; L615-Q619 WeakPolarHBondContact O-CG 3.45Å; L615-Q619 PolarHBondContact O-N 2.94Å
616	K	80.4	Confident	73.6	Confident	117 Å²	117	110.8 Å²	110.8	51%	0.509	54%	0.536	S	S	.	.	H	α-helix	trans	-63.9	-43.9	174.4	-77.7	170.7	-173.3	148.9	0	112.4	D612 S613 K614 Q619 A620	D612-K616 WeakPolarHBondContact O-CG 3.35Å; D612-K616 PolarHBondContact O-N 3.13Å; D612-K616 WeakPolarHBondContact OD2-CE 3.15Å; D612-K616 IonicContact OD2-NZ 2.77Å; D612-K616 PolarHBondContact OD2-NZ 2.87Å; S613-K616 PolarHBondContact O-N 2.93Å; K614-K616 VanDerWaalsContact C-N 3.35Å; K616-Q619 PolarHBondContact O-N 2.79Å; K616-A620 WeakPolarHBondContact O-CB 3.28Å; K616-A620 PolarHBondContact O-N 3.03Å
617	E	83.9	Confident	73	Confident	143 Å²	143	105.2 Å²	105.2	67%	0.668	53%	0.53	S	S	*	.	H	α-helix	trans	-61.1	-45.2	174.6	-79.2	-177.4	161.1	0	0	112.1	S613 K614 Q619 A620 S621	S613-E617 PolarHBondContact O-N 3.05Å; K614-E617 PolarHBondContact O-N 2.98Å; E617-Q619 PolarHBondContact O-N 3.23Å; E617-A620 PolarHBondContact O-N 3.45Å; E617-S621 WeakPolarHBondContact O-CB 3.47Å; E617-S621 PolarHBondContact O-N 3.33Å
618	Y	80.9	Confident	72.2	Confident	141 Å²	141	113.8 Å²	113.8	55%	0.553	56%	0.556	S	S	*	*	H	α-helix	trans	-61.7	-45	176.6	176.4	-98.9	0	0	0	112	K614 L615 A620 S621 K622	K614-Y618 WeakPolarHBondContact O-CB 3.39Å; K614-Y618 PolarHBondContact O-N 3.33Å; L615-Y618 PolarHBondContact O-N 2.85Å; Y618-A620 VanDerWaalsContact C-N 3.33Å; Y618-A620 PolarHBondContact O-N 2.91Å; Y618-S621 PolarHBondContact O-N 3.32Å; Y618-K622 HydrophobicContact CE1-CD 4.14Å; Y618-K622 WeakPolarHBondContact O-CB 3.37Å; Y618-K622 PolarHBondContact O-N 3.43Å
619	Q	78.8	Confident	71	Confident	82 Å²	82	116.4 Å²	116.4	38%	0.383	56%	0.564	S	S	.	*	H	α-helix	trans	-63.7	-38.3	176.1	-73.9	-179.3	16.6	0	0	112.2	L615 K616 E617 K622 R623	L615-Q619 WeakPolarHBondContact O-CB 3.25Å; L615-Q619 VanDerWaalsContact O-CG 3.28Å; L615-Q619 WeakPolarHBondContact O-CG 3.45Å; L615-Q619 PolarHBondContact O-N 2.94Å; K616-Q619 PolarHBondContact O-N 2.79Å; E617-Q619 PolarHBondContact O-N 3.23Å; Q619-K622 PolarHBondContact O-N 3.29Å; Q619-R623 VanDerWaalsContact O-CG 3.31Å; Q619-R623 WeakPolarHBondContact O-CG 3.47Å; Q619-R623 PolarHBondContact O-N 3.31Å
620	A	79.4	Confident	69.6	Low	42 Å²	42	121.3 Å²	121.3	35%	0.347	58%	0.576	S	S	.	*	H	α-helix	trans	-64.4	-47.5	175.5	0	0	0	0	0	111.1	K616 E617 Y618 K622 R623 H624	K616-A620 WeakPolarHBondContact O-CB 3.28Å; K616-A620 PolarHBondContact O-N 3.03Å; E617-A620 PolarHBondContact O-N 3.45Å; Y618-A620 VanDerWaalsContact C-N 3.33Å; Y618-A620 PolarHBondContact O-N 2.91Å; A620-K622 PolarHBondContact O-N 3.14Å; A620-R623 PolarHBondContact O-N 3.38Å; A620-H624 PolarHBondContact O-N 3.14Å; A620-H624 PolarHBondContact O-ND1 2.93Å
621	S	82	Confident	68.1	Low	75 Å²	75	123.2 Å²	123.2	52%	0.524	59%	0.586	S	S	.	*	H	α-helix	trans	-55.7	-47.6	174.1	168.2	0	0	0	0	112	E617 Y618 R623 H624 S625	E617-S621 WeakPolarHBondContact O-CB 3.47Å; E617-S621 PolarHBondContact O-N 3.33Å; Y618-S621 PolarHBondContact O-N 3.32Å; S621-R623 VanDerWaalsContact C-N 3.31Å; S621-R623 PolarHBondContact O-N 3.49Å; S621-H624 PolarHBondContact O-N 2.91Å; S621-S625 PolarHBondContact O-N 3.3Å; S621-S625 PolarHBondContact O-OG 2.8Å; S621-S625 VanDerWaalsContact O-OG 3.11Å
622	K	74.6	Confident	66.6	Low	105 Å²	105	124.1 Å²	124.1	46%	0.457	60%	0.595	S	S	.	*	H	α-helix	trans	-64.6	-32.4	179.3	-152	-179.7	-173.7	176.1	0	113.2	Y618 Q619 A620 S625 Q626	Y618-K622 HydrophobicContact CE1-CD 4.14Å; Y618-K622 WeakPolarHBondContact O-CB 3.37Å; Y618-K622 PolarHBondContact O-N 3.43Å; Q619-K622 PolarHBondContact O-N 3.29Å; A620-K622 PolarHBondContact O-N 3.14Å; K622-S625 WeakPolarHBondContact CA-OG 3.15Å; K622-S625 PolarHBondContact O-OG 3.06Å; K622-Q626 WeakPolarHBondContact O-CG 3.29Å; K622-Q626 PolarHBondContact O-N 2.99Å
623	R	69.8	Low	65	Low	177 Å²	177	128.3 Å²	128.3	67%	0.668	62%	0.624	S	S	*	*	H	α-helix	trans	-73.5	-26.8	173.3	-72.7	178.6	-153.2	173.8	8.3	113.1	Q619 A620 S621	Q619-R623 VanDerWaalsContact O-CG 3.31Å; Q619-R623 WeakPolarHBondContact O-CG 3.47Å; Q619-R623 PolarHBondContact O-N 3.31Å; A620-R623 PolarHBondContact O-N 3.38Å; S621-R623 VanDerWaalsContact C-N 3.31Å; S621-R623 PolarHBondContact O-N 3.49Å
624	H	73.8	Confident	63.2	Low	167 Å²	167	131.6 Å²	131.6	77%	0.773	64%	0.644	S	S	*	*	H	α-helix	trans	-83	-28.6	177.9	-74.5	60.2	0	0	0	112.2	A620 S621	A620-H624 PolarHBondContact O-N 3.14Å; A620-H624 PolarHBondContact O-ND1 2.93Å; S621-H624 PolarHBondContact O-N 2.91Å
625	S	69.4	Low	61.2	Low	84 Å²	84	130.7 Å²	130.7	59%	0.587	65%	0.653	S	S	*	*	H	α-helix	trans	-85.7	-16.1	179.4	54.9	0	0	0	0	114.7	S621 K622	S621-S625 PolarHBondContact O-N 3.3Å; S621-S625 PolarHBondContact O-OG 2.8Å; S621-S625 VanDerWaalsContact O-OG 3.11Å; K622-S625 WeakPolarHBondContact CA-OG 3.15Å; K622-S625 PolarHBondContact O-OG 3.06Å
626	Q	57.4	Low	59.5	Low	124 Å²	124	138.2 Å²	138.2	58%	0.579	68%	0.676	S	S	*	*	S	Bend	trans	-83.9	122.9	176	-76.4	-174.3	-12.4	0	0	111.3	K622 R628	K622-Q626 WeakPolarHBondContact O-CG 3.29Å; K622-Q626 PolarHBondContact O-N 2.99Å; Q626-R628 PolarHBondContact O-N 3.32Å
627	P	43.6	Very low	57.9	Low	113 Å²	113	144.5 Å²	144.5	73%	0.734	70%	0.696	S	S	*	*			trans	-62.5	121.9	174.4	25.3	-31.1	0	0	0	108.7	L629	P627-L629 VanDerWaalsContact C-N 3.32Å; P627-L629 PolarHBondContact O-N 3.12Å
628	R	47.7	Very low	55.6	Low	240 Å²	240	148.8 Å²	148.8	91%	0.906	71%	0.706	S	S	*	*			trans	-61.8	92.7	175.6	-77.6	-176.7	172.6	172.5	-1.5	109.5	Q626 R630	Q626-R628 PolarHBondContact O-N 3.32Å; R628-R630 PolarHBondContact O-N 2.93Å
629	L	46.1	Very low	53.6	Low	153 Å²	153	156.8 Å²	156.8	80%	0.801	74%	0.736	S	S	*	*			trans	-63.2	104.3	161.9	-77.7	164.8	0	0	0	107.2	P627 V631	P627-L629 VanDerWaalsContact C-N 3.32Å; P627-L629 PolarHBondContact O-N 3.12Å; L629-V631 HydrophobicContact CB-CG2 4.01Å; L629-V631 PolarHBondContact O-N 3.29Å
630	R	42.9	Very low	52.3	Low	253 Å²	253	160.6 Å²	160.6	96%	0.955	75%	0.753	S	S	*	*			trans	-61.7	82.1	166.5	-75.9	-179.9	172.8	174.9	-1.7	108.3	R628	R628-R630 PolarHBondContact O-N 2.93Å
631	V	43.9	Very low	50.9	Low	122 Å²	122	166.8 Å²	166.8	74%	0.739	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-103.7	117.6	171.4	-174.8	0	0	0	0	107.5	L629	L629-V631 HydrophobicContact CB-CG2 4.01Å; L629-V631 PolarHBondContact O-N 3.29Å
632	Q	39.2	Very low	49.2	Very low	171 Å²	171	171.9 Å²	171.9	80%	0.799	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-55.5	145.2	177.9	-69.3	-160.3	-9.2	0	0	111.4
633	P	41.8	Very low	47.7	Very low	117 Å²	117	175.8 Å²	175.8	76%	0.76	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-64.3	131.6	175.6	26.3	-32	0	0	0	110.1
634	P	40.2	Very low	46.3	Very low	116 Å²	116	175.8 Å²	175.8	75%	0.753	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-66.4	150.5	176.6	27.4	-32.5	0	0	0	110.8
635	P	34.5	Very low	44.5	Very low	123 Å²	123	176.3 Å²	176.3	80%	0.799	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-69.1	138.9	-173.7	27.2	-32.6	0	0	0	111.8	R637	P635-R637 PolarHBondContact O-N 2.97Å; P635-R637 VanDerWaalsContact O-N 3.16Å
636	R	39.1	Very low	42.7	Very low	238 Å²	238	182.9 Å²	182.9	90%	0.898	84%	0.837	S	S	*	*			trans	-64.6	108	176.2	-77.8	-180	171	-176.3	-3	110.3
637	R	47.8	Very low	41.5	Very low	249 Å²	249	187.5 Å²	187.5	94%	0.94	86%	0.856	S	S	*	*			trans	-73	128.2	167.3	-85.6	-174.2	173.3	-176.1	-1.6	110.6	P635	P635-R637 PolarHBondContact O-N 2.97Å; P635-R637 VanDerWaalsContact O-N 3.16Å
638	W	34.3	Very low	41.4	Very low	232 Å²	232	193.7 Å²	193.7	88%	0.879	87%	0.866	S	S	*	*			trans	-84.6	130.9	174.2	-86.7	59.7	0	0	0	110.9
639	R	39.1	Very low	40.8	Very low	310 Å²	310	189.5 Å²	189.5	100%	1.17	86%	0.863	S	S	*	*			trans	51.3	0	169.7	-68.8	-167.8	-179.5	-168	1	119.5

Retrieved 639 of 639 residues in 158.3 ms (Link to these results)

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